USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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+ 175:sc= -0.204 (180deg=-0.221) USER MOD Single : A 5 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.031) USER MOD Single : A 8 THR OG1 : rot -32:sc= 0.207 USER MOD Single : A 9 SER OG : rot 180:sc= 0.158 USER MOD Single : A 12 SER OG : rot 180:sc= 0.32 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.299 K(o=0.3,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.28 (180deg=-0.256) USER MOD Single : B 3 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.43) USER MOD Single : B 4 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.62) USER MOD Single : B 5 HIS : no HE2:sc= 0.28 K(o=0.28,f=-1.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00178 X(o=-0.0018,f=-0.0018) 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 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -16:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.175 -1.988 -1.662 1.00 25.00 N ATOM 2 CA GLY A 1 3.102 -0.919 -1.505 1.00 25.00 C ATOM 3 C GLY A 1 2.310 -0.688 -2.786 1.00 25.00 C ATOM 4 O GLY A 1 1.342 0.045 -2.875 1.00 25.00 O ATOM 0 H1 GLY A 1 4.738 -2.045 -0.789 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.725 -2.908 -1.845 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.796 -1.742 -2.459 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.418 -1.211 -0.708 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.569 0.017 -1.198 1.00 25.00 H new ATOM 9 N ILE A 2 2.725 -1.416 -3.810 1.00 25.00 N ATOM 10 CA ILE A 2 2.196 -1.258 -5.188 1.00 25.00 C ATOM 11 C ILE A 2 0.654 -1.424 -5.277 1.00 25.00 C ATOM 12 O ILE A 2 -0.013 -0.597 -5.902 1.00 25.00 O ATOM 13 CB ILE A 2 2.782 -2.315 -6.160 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.161 -2.900 -5.705 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.839 -1.684 -7.560 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.381 -1.919 -5.675 1.00 25.00 C ATOM 0 H ILE A 2 3.439 -2.139 -3.726 1.00 25.00 H new ATOM 0 HA ILE A 2 2.489 -0.245 -5.465 1.00 25.00 H new ATOM 0 HB ILE A 2 2.127 -3.186 -6.168 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.038 -3.316 -4.705 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.411 -3.729 -6.367 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.248 -2.405 -8.268 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.834 -1.399 -7.872 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.475 -0.799 -7.535 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.270 -2.454 -5.342 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.551 -1.519 -6.675 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.172 -1.100 -4.987 1.00 25.00 H new ATOM 28 N VAL A 3 0.098 -2.433 -4.677 1.00 25.00 N ATOM 29 CA VAL A 3 -1.352 -2.657 -4.867 1.00 25.00 C ATOM 30 C VAL A 3 -2.175 -1.692 -3.993 1.00 25.00 C ATOM 31 O VAL A 3 -3.261 -1.244 -4.403 1.00 25.00 O ATOM 32 CB VAL A 3 -1.799 -4.146 -4.642 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.601 -5.148 -4.814 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.398 -4.337 -3.265 1.00 25.00 C ATOM 0 H VAL A 3 0.577 -3.101 -4.073 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.554 -2.444 -5.917 1.00 25.00 H new ATOM 0 HB VAL A 3 -2.552 -4.359 -5.401 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.952 -6.167 -4.650 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -0.196 -5.061 -5.822 1.00 25.00 H new ATOM 0 HG13 VAL A 3 0.178 -4.912 -4.089 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.698 -5.378 -3.140 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -1.658 -4.079 -2.507 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -3.270 -3.693 -3.155 1.00 25.00 H new ATOM 44 N GLU A 4 -1.577 -1.293 -2.876 1.00 25.00 N ATOM 45 CA GLU A 4 -2.217 -0.345 -1.966 1.00 25.00 C ATOM 46 C GLU A 4 -2.294 1.025 -2.681 1.00 25.00 C ATOM 47 O GLU A 4 -3.315 1.696 -2.616 1.00 25.00 O ATOM 48 CB GLU A 4 -1.431 -0.263 -0.665 1.00 25.00 C ATOM 49 CG GLU A 4 -1.333 -1.574 0.105 1.00 25.00 C ATOM 50 CD GLU A 4 -0.452 -1.454 1.348 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.786 -0.858 2.300 1.00 25.00 O ATOM 52 OE2 GLU A 4 0.701 -1.982 1.230 1.00 25.00 O ATOM 0 H GLU A 4 -0.654 -1.609 -2.578 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.226 -0.669 -1.710 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.423 0.088 -0.887 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.895 0.486 -0.023 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.332 -1.894 0.400 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.931 -2.347 -0.549 1.00 25.00 H new ATOM 60 N GLN A 5 -1.262 1.399 -3.417 1.00 25.00 N ATOM 61 CA GLN A 5 -1.280 2.673 -4.154 1.00 25.00 C ATOM 62 C GLN A 5 -2.207 2.618 -5.355 1.00 25.00 C ATOM 63 O GLN A 5 -2.852 3.611 -5.662 1.00 25.00 O ATOM 64 CB GLN A 5 0.141 3.095 -4.609 1.00 25.00 C ATOM 65 CG GLN A 5 0.274 4.554 -5.143 1.00 25.00 C ATOM 66 CD GLN A 5 -0.142 5.658 -4.175 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.816 6.636 -4.560 1.00 25.00 O ATOM 68 NE2 GLN A 5 0.278 5.562 -2.957 1.00 25.00 N ATOM 0 H GLN A 5 -0.407 0.854 -3.527 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.659 3.422 -3.459 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.823 2.972 -3.768 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.471 2.410 -5.390 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.312 4.722 -5.431 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.327 4.645 -6.048 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.827 4.752 -2.669 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.061 6.296 -2.283 1.00 25.00 H new ATOM 77 N CYS A 6 -2.286 1.464 -6.014 1.00 25.00 N ATOM 78 CA CYS A 6 -3.126 1.372 -7.207 1.00 25.00 C ATOM 79 C CYS A 6 -4.605 1.287 -6.920 1.00 25.00 C ATOM 80 O CYS A 6 -5.417 1.912 -7.558 1.00 25.00 O ATOM 81 CB CYS A 6 -2.743 0.170 -8.069 1.00 25.00 C ATOM 82 SG CYS A 6 -1.660 0.567 -9.478 1.00 25.00 S ATOM 0 H CYS A 6 -1.798 0.607 -5.755 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.940 2.306 -7.737 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.245 -0.568 -7.440 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.653 -0.295 -8.446 1.00 25.00 H new ATOM 87 N CYS A 7 -4.979 0.437 -5.963 1.00 25.00 N ATOM 88 CA CYS A 7 -6.386 0.112 -5.765 1.00 25.00 C ATOM 89 C CYS A 7 -7.246 1.222 -5.154 1.00 25.00 C ATOM 90 O CYS A 7 -8.484 1.147 -5.225 1.00 25.00 O ATOM 91 CB CYS A 7 -6.489 -1.137 -4.897 1.00 25.00 C ATOM 92 SG CYS A 7 -5.797 -2.615 -5.694 1.00 25.00 S ATOM 0 H CYS A 7 -4.337 -0.031 -5.324 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.790 -0.042 -6.766 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.969 -0.962 -3.955 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.536 -1.319 -4.654 1.00 25.00 H new ATOM 97 N THR A 8 -6.632 2.226 -4.529 1.00 25.00 N ATOM 98 CA THR A 8 -7.421 3.248 -3.833 1.00 25.00 C ATOM 99 C THR A 8 -7.974 4.265 -4.852 1.00 25.00 C ATOM 100 O THR A 8 -8.783 5.134 -4.513 1.00 25.00 O ATOM 101 CB THR A 8 -6.572 3.937 -2.709 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.398 4.830 -1.934 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.390 4.746 -3.273 1.00 25.00 C ATOM 0 H THR A 8 -5.621 2.355 -4.488 1.00 25.00 H new ATOM 0 HA THR A 8 -8.270 2.774 -3.340 1.00 25.00 H new ATOM 0 HB THR A 8 -6.177 3.133 -2.087 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.097 5.209 -2.507 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.836 5.202 -2.452 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.730 4.083 -3.833 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.766 5.527 -3.934 1.00 25.00 H new ATOM 111 N SER A 9 -7.577 4.092 -6.078 1.00 25.00 N ATOM 112 CA SER A 9 -7.993 4.958 -7.141 1.00 25.00 C ATOM 113 C SER A 9 -7.944 3.989 -8.341 1.00 25.00 C ATOM 114 O SER A 9 -7.915 2.766 -8.139 1.00 25.00 O ATOM 115 CB SER A 9 -7.000 6.136 -7.285 1.00 25.00 C ATOM 116 OG SER A 9 -7.425 7.077 -8.257 1.00 25.00 O ATOM 0 H SER A 9 -6.951 3.341 -6.370 1.00 25.00 H new ATOM 0 HA SER A 9 -8.965 5.433 -7.011 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.889 6.635 -6.322 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.018 5.750 -7.560 1.00 25.00 H new ATOM 0 HG SER A 9 -6.771 7.805 -8.315 1.00 25.00 H new ATOM 122 N ILE A 10 -7.855 4.509 -9.528 1.00 25.00 N ATOM 123 CA ILE A 10 -7.732 3.693 -10.731 1.00 25.00 C ATOM 124 C ILE A 10 -6.422 4.188 -11.290 1.00 25.00 C ATOM 125 O ILE A 10 -6.323 5.293 -11.753 1.00 25.00 O ATOM 126 CB ILE A 10 -8.893 3.964 -11.738 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.246 3.510 -11.128 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.570 3.327 -13.119 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.515 3.867 -11.910 1.00 25.00 C ATOM 0 H ILE A 10 -7.864 5.513 -9.706 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.773 2.621 -10.538 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.991 5.034 -11.921 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.216 2.427 -11.006 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.330 3.941 -10.130 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.389 3.524 -13.811 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.650 3.759 -13.513 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.445 2.251 -13.003 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.389 3.493 -11.376 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.588 4.950 -12.011 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.472 3.412 -12.900 1.00 25.00 H new ATOM 141 N CYS A 11 -5.365 3.421 -11.030 1.00 25.00 N ATOM 142 CA CYS A 11 -4.024 3.845 -11.400 1.00 25.00 C ATOM 143 C CYS A 11 -3.804 3.747 -12.926 1.00 25.00 C ATOM 144 O CYS A 11 -4.446 2.958 -13.623 1.00 25.00 O ATOM 145 CB CYS A 11 -2.961 3.007 -10.669 1.00 25.00 C ATOM 146 SG CYS A 11 -2.994 1.196 -10.882 1.00 25.00 S ATOM 0 H CYS A 11 -5.413 2.512 -10.569 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.921 4.888 -11.101 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.981 3.362 -10.987 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.046 3.218 -9.603 1.00 25.00 H new ATOM 151 N SER A 12 -2.869 4.516 -13.432 1.00 25.00 N ATOM 152 CA SER A 12 -2.613 4.556 -14.853 1.00 25.00 C ATOM 153 C SER A 12 -1.353 3.772 -15.218 1.00 25.00 C ATOM 154 O SER A 12 -0.406 3.622 -14.430 1.00 25.00 O ATOM 155 CB SER A 12 -2.417 5.994 -15.337 1.00 25.00 C ATOM 156 OG SER A 12 -1.146 6.511 -14.908 1.00 25.00 O ATOM 0 H SER A 12 -2.269 5.126 -12.877 1.00 25.00 H new ATOM 0 HA SER A 12 -3.483 4.108 -15.334 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.479 6.028 -16.425 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.219 6.624 -14.952 1.00 25.00 H new ATOM 0 HG SER A 12 -1.041 7.431 -15.230 1.00 25.00 H new ATOM 162 N LEU A 13 -1.250 3.341 -16.505 1.00 25.00 N ATOM 163 CA LEU A 13 -0.046 2.571 -16.993 1.00 25.00 C ATOM 164 C LEU A 13 1.163 3.480 -16.868 1.00 25.00 C ATOM 165 O LEU A 13 2.332 2.965 -16.432 1.00 25.00 O ATOM 166 CB LEU A 13 -0.218 2.156 -18.471 1.00 25.00 C ATOM 167 CG LEU A 13 -1.444 1.183 -18.653 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.686 1.090 -20.150 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.178 -0.214 -18.062 1.00 25.00 C ATOM 0 H LEU A 13 -1.962 3.503 -17.217 1.00 25.00 H new ATOM 0 HA LEU A 13 0.075 1.665 -16.399 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.361 3.044 -19.086 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.691 1.668 -18.822 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.313 1.568 -18.119 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.529 0.426 -20.342 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.908 2.081 -20.545 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.795 0.696 -20.639 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.053 -0.846 -18.213 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.317 -0.661 -18.559 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.975 -0.125 -16.995 1.00 25.00 H new ATOM 181 N TYR A 14 1.075 4.795 -17.079 1.00 25.00 N ATOM 182 CA TYR A 14 2.092 5.826 -16.843 1.00 25.00 C ATOM 183 C TYR A 14 2.598 5.791 -15.390 1.00 25.00 C ATOM 184 O TYR A 14 3.753 5.922 -15.110 1.00 25.00 O ATOM 185 CB TYR A 14 1.558 7.203 -17.153 1.00 25.00 C ATOM 186 CG TYR A 14 2.651 8.279 -16.916 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.694 8.330 -17.776 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.588 9.112 -15.847 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.828 9.313 -17.593 1.00 25.00 C ATOM 190 CE2 TYR A 14 3.528 10.054 -15.604 1.00 25.00 C ATOM 191 CZ TYR A 14 4.625 10.227 -16.365 1.00 25.00 C ATOM 192 OH TYR A 14 5.481 11.192 -16.074 1.00 25.00 O ATOM 0 H TYR A 14 0.217 5.202 -17.451 1.00 25.00 H new ATOM 0 HA TYR A 14 2.924 5.609 -17.513 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.219 7.243 -18.188 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.692 7.413 -16.526 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.717 7.651 -18.615 1.00 25.00 H new ATOM 0 HD2 TYR A 14 1.756 9.020 -15.164 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.685 9.370 -18.248 1.00 25.00 H new ATOM 0 HE2 TYR A 14 3.391 10.703 -14.752 1.00 25.00 H new ATOM 0 HH TYR A 14 5.184 11.660 -15.266 1.00 25.00 H new ATOM 202 N GLN A 15 1.692 5.653 -14.415 1.00 25.00 N ATOM 203 CA GLN A 15 2.159 5.591 -13.048 1.00 25.00 C ATOM 204 C GLN A 15 2.866 4.249 -12.792 1.00 25.00 C ATOM 205 O GLN A 15 3.879 4.189 -12.126 1.00 25.00 O ATOM 206 CB GLN A 15 0.986 5.672 -12.101 1.00 25.00 C ATOM 207 CG GLN A 15 0.412 7.088 -11.940 1.00 25.00 C ATOM 208 CD GLN A 15 -0.879 7.013 -11.159 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.529 5.967 -11.164 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.264 8.085 -10.510 1.00 25.00 N ATOM 0 H GLN A 15 0.683 5.586 -14.546 1.00 25.00 H new ATOM 0 HA GLN A 15 2.845 6.422 -12.885 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.197 5.009 -12.458 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.295 5.303 -11.123 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.128 7.727 -11.423 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.234 7.535 -12.918 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.692 8.929 -10.535 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.135 8.075 -9.980 1.00 25.00 H new ATOM 219 N LEU A 16 2.342 3.171 -13.366 1.00 25.00 N ATOM 220 CA LEU A 16 2.921 1.807 -13.217 1.00 25.00 C ATOM 221 C LEU A 16 4.340 1.660 -13.772 1.00 25.00 C ATOM 222 O LEU A 16 5.117 0.894 -13.241 1.00 25.00 O ATOM 223 CB LEU A 16 2.009 0.767 -13.869 1.00 25.00 C ATOM 224 CG LEU A 16 0.710 0.395 -13.119 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.188 -0.429 -14.058 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.962 -0.429 -11.907 1.00 25.00 C ATOM 0 H LEU A 16 1.506 3.200 -13.950 1.00 25.00 H new ATOM 0 HA LEU A 16 2.991 1.638 -12.142 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.735 1.132 -14.859 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.588 -0.145 -14.015 1.00 25.00 H new ATOM 0 HG LEU A 16 0.241 1.329 -12.810 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.108 -0.697 -13.539 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.429 0.162 -14.942 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.336 -1.336 -14.359 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.014 -0.660 -11.421 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.458 -1.356 -12.194 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.599 0.124 -11.217 1.00 25.00 H new ATOM 238 N GLU A 17 4.689 2.494 -14.745 1.00 25.00 N ATOM 239 CA GLU A 17 6.073 2.546 -15.285 1.00 25.00 C ATOM 240 C GLU A 17 7.084 2.896 -14.193 1.00 25.00 C ATOM 241 O GLU A 17 8.240 2.531 -14.272 1.00 25.00 O ATOM 242 CB GLU A 17 6.207 3.608 -16.423 1.00 25.00 C ATOM 243 CG GLU A 17 5.490 3.275 -17.759 1.00 25.00 C ATOM 244 CD GLU A 17 5.291 4.503 -18.638 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.332 5.650 -18.246 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.039 4.214 -19.846 1.00 25.00 O ATOM 0 H GLU A 17 4.044 3.149 -15.186 1.00 25.00 H new ATOM 0 HA GLU A 17 6.282 1.553 -15.682 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.819 4.557 -16.053 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.267 3.756 -16.631 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.072 2.533 -18.305 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.521 2.825 -17.545 1.00 25.00 H new ATOM 254 N ASN A 18 6.653 3.622 -13.161 1.00 25.00 N ATOM 255 CA ASN A 18 7.579 4.010 -12.090 1.00 25.00 C ATOM 256 C ASN A 18 8.047 2.847 -11.226 1.00 25.00 C ATOM 257 O ASN A 18 9.027 2.943 -10.531 1.00 25.00 O ATOM 258 CB ASN A 18 6.990 5.087 -11.198 1.00 25.00 C ATOM 259 CG ASN A 18 6.616 6.342 -11.949 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.273 6.745 -12.887 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.564 6.957 -11.531 1.00 25.00 N ATOM 0 H ASN A 18 5.694 3.948 -13.042 1.00 25.00 H new ATOM 0 HA ASN A 18 8.452 4.401 -12.612 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.105 4.693 -10.699 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.710 5.338 -10.419 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.257 7.814 -11.992 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.038 6.587 -10.739 1.00 25.00 H new ATOM 268 N TYR A 19 7.310 1.708 -11.310 1.00 25.00 N ATOM 269 CA TYR A 19 7.645 0.482 -10.561 1.00 25.00 C ATOM 270 C TYR A 19 8.517 -0.442 -11.427 1.00 25.00 C ATOM 271 O TYR A 19 9.061 -1.426 -10.961 1.00 25.00 O ATOM 272 CB TYR A 19 6.340 -0.231 -10.170 1.00 25.00 C ATOM 273 CG TYR A 19 5.457 0.610 -9.247 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.770 0.765 -7.906 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.316 1.241 -9.757 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.911 1.515 -7.040 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.487 1.996 -8.926 1.00 25.00 C ATOM 278 CZ TYR A 19 3.748 2.130 -7.583 1.00 25.00 C ATOM 279 OH TYR A 19 2.899 2.872 -6.804 1.00 25.00 O ATOM 0 H TYR A 19 6.478 1.620 -11.893 1.00 25.00 H new ATOM 0 HA TYR A 19 8.205 0.739 -9.662 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.782 -0.478 -11.073 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.580 -1.173 -9.676 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.669 0.316 -7.511 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.075 1.142 -10.805 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.142 1.613 -5.990 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.621 2.486 -9.347 1.00 25.00 H new ATOM 0 HH TYR A 19 2.163 3.211 -7.354 1.00 25.00 H new ATOM 289 N CYS A 20 8.666 -0.052 -12.694 1.00 25.00 N ATOM 290 CA CYS A 20 9.618 -0.678 -13.581 1.00 25.00 C ATOM 291 C CYS A 20 10.931 0.083 -13.358 1.00 25.00 C ATOM 292 O CYS A 20 12.027 -0.390 -13.622 1.00 25.00 O ATOM 293 CB CYS A 20 9.070 -0.586 -15.017 1.00 25.00 C ATOM 294 SG CYS A 20 9.980 -1.542 -16.250 1.00 25.00 S ATOM 0 H CYS A 20 8.129 0.702 -13.122 1.00 25.00 H new ATOM 0 HA CYS A 20 9.789 -1.738 -13.396 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.032 -0.920 -15.015 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.067 0.461 -15.321 1.00 25.00 H new ATOM 299 N ASN A 21 10.846 1.398 -13.011 1.00 25.00 N ATOM 300 CA ASN A 21 12.008 2.311 -12.991 1.00 25.00 C ATOM 301 C ASN A 21 12.996 1.988 -11.854 1.00 25.00 C ATOM 302 O ASN A 21 12.713 2.049 -10.678 1.00 25.00 O ATOM 303 CB ASN A 21 11.543 3.752 -12.908 1.00 25.00 C ATOM 304 CG ASN A 21 12.627 4.679 -13.327 1.00 25.00 C ATOM 305 OD1 ASN A 21 13.508 5.057 -12.634 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.557 5.111 -14.562 1.00 25.00 N ATOM 307 OXT ASN A 21 14.215 1.732 -12.253 1.00 25.00 O ATOM 0 H ASN A 21 9.971 1.846 -12.740 1.00 25.00 H new ATOM 0 HA ASN A 21 12.549 2.164 -13.925 1.00 25.00 H new ATOM 0 HB2 ASN A 21 10.670 3.895 -13.544 1.00 25.00 H new ATOM 0 HB3 ASN A 21 11.235 3.982 -11.888 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.257 5.764 -14.914 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.803 4.794 -15.171 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.028 -4.247 -19.860 1.00 25.00 N ATOM 317 CA PHE B 1 -5.114 -2.778 -19.942 1.00 25.00 C ATOM 318 C PHE B 1 -6.535 -2.215 -19.726 1.00 25.00 C ATOM 319 O PHE B 1 -7.038 -1.283 -20.309 1.00 25.00 O ATOM 320 CB PHE B 1 -4.600 -2.339 -21.311 1.00 25.00 C ATOM 321 CG PHE B 1 -3.211 -2.833 -21.674 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.083 -2.446 -20.954 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.086 -3.605 -22.795 1.00 25.00 C ATOM 324 CE1 PHE B 1 -0.785 -2.919 -21.366 1.00 25.00 C ATOM 325 CE2 PHE B 1 -1.820 -3.989 -23.246 1.00 25.00 C ATOM 326 CZ PHE B 1 -0.666 -3.640 -22.537 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.282 -4.587 -20.499 1.00 25.00 H new ATOM 0 H2 PHE B 1 -4.803 -4.528 -18.884 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.939 -4.664 -20.138 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.506 -2.379 -19.130 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.300 -2.685 -22.071 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.601 -1.250 -21.349 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.180 -1.798 -20.096 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.968 -3.919 -23.334 1.00 25.00 H new ATOM 0 HE1 PHE B 1 0.087 -2.711 -20.764 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.732 -4.564 -24.156 1.00 25.00 H new ATOM 0 HZ PHE B 1 0.308 -3.932 -22.902 1.00 25.00 H new ATOM 337 N VAL B 2 -7.199 -2.936 -18.807 1.00 25.00 N ATOM 338 CA VAL B 2 -8.592 -2.696 -18.357 1.00 25.00 C ATOM 339 C VAL B 2 -8.571 -1.520 -17.367 1.00 25.00 C ATOM 340 O VAL B 2 -7.664 -1.416 -16.568 1.00 25.00 O ATOM 341 CB VAL B 2 -9.182 -4.032 -17.661 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.626 -3.946 -17.313 1.00 25.00 C ATOM 343 CG2 VAL B 2 -8.885 -5.266 -18.561 1.00 25.00 C ATOM 0 H VAL B 2 -6.770 -3.733 -18.336 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.236 -2.452 -19.202 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.670 -4.144 -16.705 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.945 -4.880 -16.851 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.784 -3.124 -16.615 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.208 -3.771 -18.218 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -9.284 -6.164 -18.090 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.355 -5.128 -19.535 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.808 -5.371 -18.690 1.00 25.00 H new ATOM 353 N ASN B 3 -9.535 -0.611 -17.475 1.00 25.00 N ATOM 354 CA ASN B 3 -9.600 0.607 -16.636 1.00 25.00 C ATOM 355 C ASN B 3 -10.097 0.358 -15.197 1.00 25.00 C ATOM 356 O ASN B 3 -10.574 1.272 -14.493 1.00 25.00 O ATOM 357 CB ASN B 3 -10.487 1.668 -17.327 1.00 25.00 C ATOM 358 CG ASN B 3 -11.895 1.151 -17.667 1.00 25.00 C ATOM 359 OD1 ASN B 3 -12.699 0.916 -16.815 1.00 25.00 O ATOM 360 ND2 ASN B 3 -12.149 0.933 -18.928 1.00 25.00 N ATOM 0 H ASN B 3 -10.300 -0.688 -18.145 1.00 25.00 H new ATOM 0 HA ASN B 3 -8.575 0.965 -16.539 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.574 2.539 -16.677 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.998 2.001 -18.243 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -13.053 0.552 -19.208 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -11.444 1.143 -19.634 1.00 25.00 H new ATOM 367 N GLN B 4 -9.981 -0.873 -14.775 1.00 25.00 N ATOM 368 CA GLN B 4 -10.423 -1.239 -13.450 1.00 25.00 C ATOM 369 C GLN B 4 -9.390 -0.785 -12.429 1.00 25.00 C ATOM 370 O GLN B 4 -8.383 -0.224 -12.783 1.00 25.00 O ATOM 371 CB GLN B 4 -10.626 -2.748 -13.368 1.00 25.00 C ATOM 372 CG GLN B 4 -11.856 -3.148 -12.551 1.00 25.00 C ATOM 373 CD GLN B 4 -13.093 -2.776 -13.302 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.202 -3.090 -14.494 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.006 -2.095 -12.666 1.00 25.00 N ATOM 0 H GLN B 4 -9.587 -1.637 -15.323 1.00 25.00 H new ATOM 0 HA GLN B 4 -11.373 -0.751 -13.235 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.721 -3.150 -14.376 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.740 -3.204 -12.925 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.844 -4.220 -12.357 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.841 -2.648 -11.582 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.873 -1.859 -11.683 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -14.852 -1.799 -13.152 1.00 25.00 H new ATOM 384 N HIS B 5 -9.607 -1.098 -11.158 1.00 25.00 N ATOM 385 CA HIS B 5 -8.639 -0.749 -10.086 1.00 25.00 C ATOM 386 C HIS B 5 -7.321 -1.572 -10.145 1.00 25.00 C ATOM 387 O HIS B 5 -6.359 -1.245 -9.428 1.00 25.00 O ATOM 388 CB HIS B 5 -9.329 -0.968 -8.739 1.00 25.00 C ATOM 389 CG HIS B 5 -10.413 0.012 -8.479 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.250 1.095 -7.641 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.692 0.124 -8.940 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.354 1.799 -7.605 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.243 1.260 -8.379 1.00 25.00 N ATOM 0 H HIS B 5 -10.437 -1.591 -10.829 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.346 0.292 -10.225 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.742 -1.976 -8.708 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.588 -0.903 -7.942 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.397 1.315 -7.126 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.185 -0.554 -9.621 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.501 2.694 -7.019 1.00 25.00 H new ATOM 402 N LEU B 6 -7.281 -2.594 -10.996 1.00 25.00 N ATOM 403 CA LEU B 6 -6.078 -3.432 -11.181 1.00 25.00 C ATOM 404 C LEU B 6 -5.507 -3.968 -9.881 1.00 25.00 C ATOM 405 O LEU B 6 -4.369 -3.650 -9.537 1.00 25.00 O ATOM 406 CB LEU B 6 -4.990 -2.660 -11.947 1.00 25.00 C ATOM 407 CG LEU B 6 -5.306 -2.115 -13.358 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.192 -1.227 -13.910 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.507 -3.302 -14.300 1.00 25.00 C ATOM 0 H LEU B 6 -8.071 -2.871 -11.578 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.402 -4.294 -11.764 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.690 -1.814 -11.328 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.123 -3.315 -12.034 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.204 -1.501 -13.286 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.468 -0.872 -14.903 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.045 -0.374 -13.248 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.267 -1.800 -13.973 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.731 -2.937 -15.302 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.598 -3.903 -14.328 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.335 -3.914 -13.943 1.00 25.00 H new ATOM 421 N CYS B 7 -6.255 -4.797 -9.155 1.00 25.00 N ATOM 422 CA CYS B 7 -5.748 -5.351 -7.903 1.00 25.00 C ATOM 423 C CYS B 7 -5.252 -6.805 -8.026 1.00 25.00 C ATOM 424 O CYS B 7 -5.611 -7.547 -8.997 1.00 25.00 O ATOM 425 CB CYS B 7 -6.857 -5.226 -6.845 1.00 25.00 C ATOM 426 SG CYS B 7 -7.359 -3.495 -6.612 1.00 25.00 S ATOM 0 H CYS B 7 -7.197 -5.095 -9.407 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.867 -4.781 -7.609 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.720 -5.819 -7.148 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.506 -5.635 -5.898 1.00 25.00 H new HETATM 431 N AIB B 8 -4.407 -7.252 -7.026 1.00 25.00 N HETATM 432 CA AIB B 8 -3.908 -8.662 -6.887 1.00 25.00 C HETATM 433 C AIB B 8 -3.189 -9.116 -8.218 1.00 25.00 C HETATM 434 O AIB B 8 -2.229 -8.525 -8.694 1.00 25.00 O HETATM 435 CB1 AIB B 8 -5.139 -9.571 -6.439 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.850 -8.655 -5.766 1.00 25.00 C HETATM 0 H AIB B 8 -4.056 -6.634 -6.294 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.808 -10.604 -6.329 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.529 -9.212 -5.487 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.923 -9.520 -7.194 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.458 -9.663 -5.629 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -2.036 -7.983 -6.038 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -3.307 -8.314 -4.837 1.00 25.00 H new ATOM 444 N SER B 9 -3.670 -10.217 -8.894 1.00 25.00 N ATOM 445 CA SER B 9 -3.111 -10.720 -10.157 1.00 25.00 C ATOM 446 C SER B 9 -3.163 -9.694 -11.290 1.00 25.00 C ATOM 447 O SER B 9 -2.263 -9.627 -12.113 1.00 25.00 O ATOM 448 CB SER B 9 -3.823 -11.953 -10.626 1.00 25.00 C ATOM 449 OG SER B 9 -3.202 -12.382 -11.850 1.00 25.00 O ATOM 0 H SER B 9 -4.460 -10.767 -8.557 1.00 25.00 H new ATOM 0 HA SER B 9 -2.069 -10.943 -9.929 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.764 -12.738 -9.872 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.881 -11.745 -10.787 1.00 25.00 H new ATOM 0 HG SER B 9 -3.649 -13.190 -12.178 1.00 25.00 H new ATOM 455 N HIS B 10 -4.186 -8.852 -11.310 1.00 25.00 N ATOM 456 CA HIS B 10 -4.304 -7.872 -12.369 1.00 25.00 C ATOM 457 C HIS B 10 -3.233 -6.825 -12.214 1.00 25.00 C ATOM 458 O HIS B 10 -2.805 -6.278 -13.201 1.00 25.00 O ATOM 459 CB HIS B 10 -5.693 -7.199 -12.334 1.00 25.00 C ATOM 460 CG HIS B 10 -6.828 -8.173 -12.378 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.061 -9.045 -13.430 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.796 -8.462 -11.459 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.098 -9.823 -13.113 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.566 -9.481 -11.948 1.00 25.00 N ATOM 0 H HIS B 10 -4.933 -8.830 -10.616 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.185 -8.379 -13.326 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.775 -6.599 -11.428 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.778 -6.515 -13.178 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.931 -7.969 -10.507 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.490 -10.617 -13.731 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.369 -9.901 -11.480 1.00 25.00 H new ATOM 473 N LEU B 11 -2.823 -6.538 -10.993 1.00 25.00 N ATOM 474 CA LEU B 11 -1.792 -5.523 -10.755 1.00 25.00 C ATOM 475 C LEU B 11 -0.499 -6.081 -11.375 1.00 25.00 C ATOM 476 O LEU B 11 0.188 -5.374 -12.078 1.00 25.00 O ATOM 477 CB LEU B 11 -1.599 -5.277 -9.242 1.00 25.00 C ATOM 478 CG LEU B 11 -0.594 -4.207 -8.751 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.834 -4.766 -8.743 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.670 -2.919 -9.531 1.00 25.00 C ATOM 0 H LEU B 11 -3.180 -6.986 -10.149 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.072 -4.567 -11.197 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.574 -5.019 -8.829 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.305 -6.227 -8.795 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.879 -3.959 -7.729 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.524 -3.997 -8.395 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.884 -5.627 -8.077 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.111 -5.071 -9.752 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.060 -2.211 -9.137 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.454 -3.116 -10.581 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.671 -2.497 -9.440 1.00 25.00 H new ATOM 492 N VAL B 12 -0.162 -7.323 -11.065 1.00 25.00 N ATOM 493 CA VAL B 12 1.074 -7.904 -11.548 1.00 25.00 C ATOM 494 C VAL B 12 1.042 -8.060 -13.075 1.00 25.00 C ATOM 495 O VAL B 12 2.045 -7.815 -13.741 1.00 25.00 O ATOM 496 CB VAL B 12 1.415 -9.292 -10.879 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.801 -9.711 -11.266 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.255 -9.213 -9.358 1.00 25.00 C ATOM 0 H VAL B 12 -0.726 -7.943 -10.484 1.00 25.00 H new ATOM 0 HA VAL B 12 1.863 -7.208 -11.263 1.00 25.00 H new ATOM 0 HB VAL B 12 0.715 -10.046 -11.239 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.034 -10.670 -10.803 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.863 -9.807 -12.350 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.516 -8.961 -10.927 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.495 -10.180 -8.916 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.930 -8.455 -8.960 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.226 -8.948 -9.114 1.00 25.00 H new ATOM 508 N GLU B 13 -0.110 -8.409 -13.635 1.00 25.00 N ATOM 509 CA GLU B 13 -0.234 -8.563 -15.056 1.00 25.00 C ATOM 510 C GLU B 13 0.012 -7.184 -15.744 1.00 25.00 C ATOM 511 O GLU B 13 0.755 -7.095 -16.715 1.00 25.00 O ATOM 512 CB GLU B 13 -1.654 -9.081 -15.398 1.00 25.00 C ATOM 513 CG GLU B 13 -1.883 -9.445 -16.867 1.00 25.00 C ATOM 514 CD GLU B 13 -1.146 -10.682 -17.288 1.00 25.00 C ATOM 515 OE1 GLU B 13 -1.436 -11.775 -16.932 1.00 25.00 O ATOM 516 OE2 GLU B 13 -0.103 -10.445 -17.984 1.00 25.00 O ATOM 0 H GLU B 13 -0.968 -8.589 -13.113 1.00 25.00 H new ATOM 0 HA GLU B 13 0.502 -9.282 -15.416 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.859 -9.960 -14.787 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.379 -8.319 -15.113 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.950 -9.589 -17.037 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.570 -8.611 -17.495 1.00 25.00 H new ATOM 524 N ALA B 14 -0.626 -6.123 -15.238 1.00 25.00 N ATOM 525 CA ALA B 14 -0.499 -4.772 -15.828 1.00 25.00 C ATOM 526 C ALA B 14 0.945 -4.277 -15.753 1.00 25.00 C ATOM 527 O ALA B 14 1.474 -3.727 -16.733 1.00 25.00 O ATOM 528 CB ALA B 14 -1.428 -3.849 -15.090 1.00 25.00 C ATOM 0 H ALA B 14 -1.237 -6.166 -14.422 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.770 -4.800 -16.883 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.352 -2.845 -15.508 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.453 -4.207 -15.191 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.154 -3.824 -14.035 1.00 25.00 H new ATOM 534 N LEU B 15 1.613 -4.500 -14.607 1.00 25.00 N ATOM 535 CA LEU B 15 3.022 -4.103 -14.420 1.00 25.00 C ATOM 536 C LEU B 15 3.916 -4.856 -15.377 1.00 25.00 C ATOM 537 O LEU B 15 4.769 -4.237 -15.980 1.00 25.00 O ATOM 538 CB LEU B 15 3.501 -4.451 -12.981 1.00 25.00 C ATOM 539 CG LEU B 15 4.346 -3.354 -12.286 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.603 -3.711 -10.851 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.678 -3.081 -13.009 1.00 25.00 C ATOM 0 H LEU B 15 1.199 -4.955 -13.793 1.00 25.00 H new ATOM 0 HA LEU B 15 3.082 -3.029 -14.598 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.627 -4.659 -12.364 1.00 25.00 H new ATOM 0 HB3 LEU B 15 4.088 -5.368 -13.022 1.00 25.00 H new ATOM 0 HG LEU B 15 3.760 -2.436 -12.331 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.198 -2.927 -10.382 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.653 -3.810 -10.325 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.145 -4.656 -10.802 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.228 -2.304 -12.478 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.273 -3.994 -13.033 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.478 -2.751 -14.028 1.00 25.00 H new ATOM 553 N TYR B 16 3.702 -6.159 -15.545 1.00 25.00 N ATOM 554 CA TYR B 16 4.470 -6.930 -16.489 1.00 25.00 C ATOM 555 C TYR B 16 4.267 -6.494 -17.929 1.00 25.00 C ATOM 556 O TYR B 16 5.232 -6.356 -18.667 1.00 25.00 O ATOM 557 CB TYR B 16 4.090 -8.429 -16.337 1.00 25.00 C ATOM 558 CG TYR B 16 4.779 -9.320 -17.319 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.185 -9.589 -17.196 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.084 -9.905 -18.404 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.881 -10.422 -18.107 1.00 25.00 C ATOM 562 CE2 TYR B 16 4.779 -10.724 -19.325 1.00 25.00 C ATOM 563 CZ TYR B 16 6.194 -10.974 -19.184 1.00 25.00 C ATOM 564 OH TYR B 16 6.876 -11.769 -20.068 1.00 25.00 O ATOM 0 H TYR B 16 3.000 -6.693 -15.034 1.00 25.00 H new ATOM 0 HA TYR B 16 5.524 -6.765 -16.263 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.334 -8.757 -15.327 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.012 -8.536 -16.455 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.731 -9.140 -16.380 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.026 -9.727 -18.529 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.932 -10.626 -17.967 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.241 -11.170 -20.148 1.00 25.00 H new ATOM 0 HH TYR B 16 6.264 -12.082 -20.766 1.00 25.00 H new ATOM 574 N LEU B 17 3.035 -6.211 -18.319 1.00 25.00 N ATOM 575 CA LEU B 17 2.803 -5.752 -19.685 1.00 25.00 C ATOM 576 C LEU B 17 3.420 -4.397 -20.021 1.00 25.00 C ATOM 577 O LEU B 17 3.957 -4.206 -21.101 1.00 25.00 O ATOM 578 CB LEU B 17 1.336 -5.645 -19.960 1.00 25.00 C ATOM 579 CG LEU B 17 0.600 -6.954 -20.061 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.889 -6.676 -20.046 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.010 -7.710 -21.345 1.00 25.00 C ATOM 0 H LEU B 17 2.203 -6.286 -17.734 1.00 25.00 H new ATOM 0 HA LEU B 17 3.290 -6.504 -20.306 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.878 -5.050 -19.170 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.197 -5.097 -20.892 1.00 25.00 H new ATOM 0 HG LEU B 17 0.857 -7.589 -19.213 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.435 -7.616 -20.119 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.156 -6.172 -19.117 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.149 -6.039 -20.892 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.468 -8.654 -21.400 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.770 -7.102 -22.217 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.082 -7.908 -21.324 1.00 25.00 H new ATOM 593 N VAL B 18 3.406 -3.465 -19.077 1.00 25.00 N ATOM 594 CA VAL B 18 3.938 -2.130 -19.362 1.00 25.00 C ATOM 595 C VAL B 18 5.452 -2.036 -19.154 1.00 25.00 C ATOM 596 O VAL B 18 6.157 -1.243 -19.771 1.00 25.00 O ATOM 597 CB VAL B 18 3.207 -1.023 -18.517 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.633 -1.022 -17.049 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.456 0.349 -19.132 1.00 25.00 C ATOM 0 H VAL B 18 3.044 -3.597 -18.132 1.00 25.00 H new ATOM 0 HA VAL B 18 3.742 -1.952 -20.419 1.00 25.00 H new ATOM 0 HB VAL B 18 2.142 -1.254 -18.540 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.096 -0.238 -16.515 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.402 -1.989 -16.602 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.705 -0.839 -16.981 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.947 1.110 -18.541 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.526 0.554 -19.143 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.073 0.365 -20.152 1.00 25.00 H new ATOM 609 N CYS B 19 5.947 -2.869 -18.253 1.00 25.00 N ATOM 610 CA CYS B 19 7.369 -2.891 -17.956 1.00 25.00 C ATOM 611 C CYS B 19 8.151 -3.702 -18.970 1.00 25.00 C ATOM 612 O CYS B 19 9.268 -3.335 -19.280 1.00 25.00 O ATOM 613 CB CYS B 19 7.606 -3.489 -16.567 1.00 25.00 C ATOM 614 SG CYS B 19 9.319 -3.435 -15.946 1.00 25.00 S ATOM 0 H CYS B 19 5.389 -3.535 -17.718 1.00 25.00 H new ATOM 0 HA CYS B 19 7.718 -1.859 -17.995 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.968 -2.965 -15.856 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.280 -4.529 -16.582 1.00 25.00 H new ATOM 619 N GLY B 20 7.612 -4.811 -19.409 1.00 25.00 N ATOM 620 CA GLY B 20 8.357 -5.711 -20.249 1.00 25.00 C ATOM 621 C GLY B 20 8.855 -6.899 -19.467 1.00 25.00 C ATOM 622 O GLY B 20 8.208 -7.495 -18.665 1.00 25.00 O ATOM 0 H GLY B 20 6.660 -5.111 -19.198 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.727 -6.051 -21.071 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.202 -5.184 -20.692 1.00 25.00 H new ATOM 626 N GLU B 21 10.025 -7.367 -19.921 1.00 25.00 N ATOM 627 CA GLU B 21 10.627 -8.624 -19.473 1.00 25.00 C ATOM 628 C GLU B 21 11.203 -8.483 -18.073 1.00 25.00 C ATOM 629 O GLU B 21 12.403 -8.394 -17.925 1.00 25.00 O ATOM 630 CB GLU B 21 11.701 -9.151 -20.439 1.00 25.00 C ATOM 631 CG GLU B 21 11.142 -9.397 -21.894 1.00 25.00 C ATOM 632 CD GLU B 21 12.135 -9.919 -22.842 1.00 25.00 C ATOM 633 OE1 GLU B 21 13.117 -10.518 -22.517 1.00 25.00 O ATOM 634 OE2 GLU B 21 11.787 -9.728 -24.056 1.00 25.00 O ATOM 0 H GLU B 21 10.585 -6.876 -20.618 1.00 25.00 H new ATOM 0 HA GLU B 21 9.822 -9.359 -19.457 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.524 -8.437 -20.486 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.109 -10.083 -20.049 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.308 -10.097 -21.837 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.745 -8.459 -22.282 1.00 25.00 H new ATOM 642 N ARG B 22 10.301 -8.559 -17.092 1.00 25.00 N ATOM 643 CA ARG B 22 10.628 -8.608 -15.688 1.00 25.00 C ATOM 644 C ARG B 22 11.739 -7.613 -15.285 1.00 25.00 C ATOM 645 O ARG B 22 12.658 -7.989 -14.632 1.00 25.00 O ATOM 646 CB ARG B 22 11.077 -10.047 -15.313 1.00 25.00 C ATOM 647 CG ARG B 22 10.053 -11.159 -15.613 1.00 25.00 C ATOM 648 CD ARG B 22 8.798 -11.085 -14.692 1.00 25.00 C ATOM 649 NE ARG B 22 7.727 -12.022 -15.052 1.00 25.00 N ATOM 650 CZ ARG B 22 6.542 -12.129 -14.463 1.00 25.00 C ATOM 651 NH1 ARG B 22 6.208 -11.433 -13.450 1.00 25.00 N ATOM 652 NH2 ARG B 22 5.680 -13.010 -14.925 1.00 25.00 N ATOM 0 H ARG B 22 9.297 -8.588 -17.271 1.00 25.00 H new ATOM 0 HA ARG B 22 9.727 -8.322 -15.145 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.000 -10.272 -15.848 1.00 25.00 H new ATOM 0 HB3 ARG B 22 11.312 -10.070 -14.249 1.00 25.00 H new ATOM 0 HG2 ARG B 22 9.739 -11.087 -16.654 1.00 25.00 H new ATOM 0 HG3 ARG B 22 10.532 -12.131 -15.491 1.00 25.00 H new ATOM 0 HD2 ARG B 22 9.104 -11.280 -13.664 1.00 25.00 H new ATOM 0 HD3 ARG B 22 8.401 -10.070 -14.720 1.00 25.00 H new ATOM 0 HE ARG B 22 7.911 -12.653 -15.832 1.00 25.00 H new ATOM 0 HH11 ARG B 22 6.863 -10.757 -13.057 1.00 25.00 H new ATOM 0 HH12 ARG B 22 5.285 -11.551 -13.032 1.00 25.00 H new ATOM 0 HH21 ARG B 22 5.927 -13.596 -15.722 1.00 25.00 H new ATOM 0 HH22 ARG B 22 4.765 -13.107 -14.486 1.00 25.00 H new ATOM 666 N GLY B 23 11.501 -6.340 -15.534 1.00 25.00 N ATOM 667 CA GLY B 23 12.400 -5.308 -15.059 1.00 25.00 C ATOM 668 C GLY B 23 12.007 -4.871 -13.684 1.00 25.00 C ATOM 669 O GLY B 23 12.164 -3.740 -13.329 1.00 25.00 O ATOM 0 H GLY B 23 10.697 -5.997 -16.060 1.00 25.00 H new ATOM 0 HA2 GLY B 23 13.423 -5.683 -15.050 1.00 25.00 H new ATOM 0 HA3 GLY B 23 12.379 -4.456 -15.739 1.00 25.00 H new ATOM 673 N PHE B 24 11.339 -5.746 -12.961 1.00 25.00 N ATOM 674 CA PHE B 24 10.806 -5.403 -11.679 1.00 25.00 C ATOM 675 C PHE B 24 10.832 -6.697 -10.894 1.00 25.00 C ATOM 676 O PHE B 24 11.061 -7.775 -11.479 1.00 25.00 O ATOM 677 CB PHE B 24 9.358 -4.881 -11.786 1.00 25.00 C ATOM 678 CG PHE B 24 8.395 -5.890 -12.334 1.00 25.00 C ATOM 679 CD1 PHE B 24 8.304 -6.134 -13.728 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.523 -6.578 -11.452 1.00 25.00 C ATOM 681 CE1 PHE B 24 7.387 -7.062 -14.251 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.594 -7.531 -11.981 1.00 25.00 C ATOM 683 CZ PHE B 24 6.530 -7.776 -13.391 1.00 25.00 C ATOM 0 H PHE B 24 11.156 -6.706 -13.252 1.00 25.00 H new ATOM 0 HA PHE B 24 11.383 -4.607 -11.208 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.020 -4.568 -10.798 1.00 25.00 H new ATOM 0 HB3 PHE B 24 9.346 -3.996 -12.423 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.953 -5.595 -14.402 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.559 -6.385 -10.390 1.00 25.00 H new ATOM 0 HE1 PHE B 24 7.339 -7.228 -15.317 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.938 -8.068 -11.313 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.834 -8.499 -13.789 1.00 25.00 H new ATOM 693 N PHE B 25 10.590 -6.635 -9.608 1.00 25.00 N ATOM 694 CA PHE B 25 10.656 -7.830 -8.775 1.00 25.00 C ATOM 695 C PHE B 25 9.344 -8.030 -8.045 1.00 25.00 C ATOM 696 O PHE B 25 8.534 -7.108 -7.877 1.00 25.00 O ATOM 697 CB PHE B 25 11.842 -7.702 -7.781 1.00 25.00 C ATOM 698 CG PHE B 25 13.165 -7.540 -8.460 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.586 -6.294 -8.915 1.00 25.00 C ATOM 700 CD2 PHE B 25 14.015 -8.661 -8.640 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.841 -6.128 -9.567 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.241 -8.520 -9.345 1.00 25.00 C ATOM 703 CZ PHE B 25 15.677 -7.245 -9.784 1.00 25.00 C ATOM 0 H PHE B 25 10.346 -5.779 -9.109 1.00 25.00 H new ATOM 0 HA PHE B 25 10.824 -8.706 -9.402 1.00 25.00 H new ATOM 0 HB2 PHE B 25 11.669 -6.847 -7.127 1.00 25.00 H new ATOM 0 HB3 PHE B 25 11.873 -8.587 -7.146 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.948 -5.435 -8.771 1.00 25.00 H new ATOM 0 HD2 PHE B 25 13.730 -9.623 -8.241 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.153 -5.148 -9.896 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.845 -9.392 -9.548 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.632 -7.130 -10.276 1.00 25.00 H new ATOM 713 N TYR B 26 9.209 -9.233 -7.533 1.00 25.00 N ATOM 714 CA TYR B 26 8.089 -9.607 -6.682 1.00 25.00 C ATOM 715 C TYR B 26 8.349 -8.945 -5.332 1.00 25.00 C ATOM 716 O TYR B 26 7.466 -8.368 -4.744 1.00 25.00 O ATOM 717 CB TYR B 26 8.051 -11.129 -6.556 1.00 25.00 C ATOM 718 CG TYR B 26 7.711 -11.876 -7.837 1.00 25.00 C ATOM 719 CD1 TYR B 26 6.415 -11.789 -8.392 1.00 25.00 C ATOM 720 CD2 TYR B 26 8.649 -12.684 -8.506 1.00 25.00 C ATOM 721 CE1 TYR B 26 6.091 -12.466 -9.607 1.00 25.00 C ATOM 722 CE2 TYR B 26 8.314 -13.390 -9.671 1.00 25.00 C ATOM 723 CZ TYR B 26 7.036 -13.291 -10.217 1.00 25.00 C ATOM 724 OH TYR B 26 6.710 -13.993 -11.375 1.00 25.00 O ATOM 0 H TYR B 26 9.875 -9.988 -7.693 1.00 25.00 H new ATOM 0 HA TYR B 26 7.128 -9.286 -7.084 1.00 25.00 H new ATOM 0 HB2 TYR B 26 9.022 -11.473 -6.201 1.00 25.00 H new ATOM 0 HB3 TYR B 26 7.320 -11.396 -5.793 1.00 25.00 H new ATOM 0 HD1 TYR B 26 5.659 -11.203 -7.891 1.00 25.00 H new ATOM 0 HD2 TYR B 26 9.652 -12.763 -8.113 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.116 -12.339 -10.053 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.053 -14.016 -10.149 1.00 25.00 H new ATOM 0 HH TYR B 26 7.484 -14.518 -11.668 1.00 25.00 H new ATOM 734 N THR B 27 9.596 -8.960 -4.915 1.00 25.00 N ATOM 735 CA THR B 27 10.014 -8.228 -3.729 1.00 25.00 C ATOM 736 C THR B 27 11.550 -8.109 -3.835 1.00 25.00 C ATOM 737 O THR B 27 12.188 -8.852 -4.576 1.00 25.00 O ATOM 738 CB THR B 27 9.620 -8.980 -2.424 1.00 25.00 C ATOM 739 OG1 THR B 27 9.861 -8.129 -1.297 1.00 25.00 O ATOM 740 CG2 THR B 27 10.370 -10.245 -2.220 1.00 25.00 C ATOM 0 H THR B 27 10.345 -9.473 -5.379 1.00 25.00 H new ATOM 0 HA THR B 27 9.527 -7.254 -3.680 1.00 25.00 H new ATOM 0 HB THR B 27 8.565 -9.236 -2.522 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.612 -8.599 -0.473 1.00 25.00 H new ATOM 0 HG21 THR B 27 10.044 -10.715 -1.292 1.00 25.00 H new ATOM 0 HG22 THR B 27 10.180 -10.919 -3.055 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.437 -10.030 -2.163 1.00 25.00 H new ATOM 748 N LYS B 28 12.114 -7.219 -3.024 1.00 25.00 N ATOM 749 CA LYS B 28 13.578 -7.073 -2.917 1.00 25.00 C ATOM 750 C LYS B 28 14.019 -7.019 -1.471 1.00 25.00 C ATOM 751 O LYS B 28 13.459 -6.236 -0.700 1.00 25.00 O ATOM 752 CB LYS B 28 14.095 -5.829 -3.587 1.00 25.00 C ATOM 753 CG LYS B 28 14.262 -5.982 -5.099 1.00 25.00 C ATOM 754 CD LYS B 28 14.608 -4.650 -5.797 1.00 25.00 C ATOM 755 CE LYS B 28 15.910 -3.970 -5.285 1.00 25.00 C ATOM 756 NZ LYS B 28 17.131 -4.754 -5.687 1.00 25.00 N ATOM 0 H LYS B 28 11.586 -6.583 -2.427 1.00 25.00 H new ATOM 0 HA LYS B 28 13.988 -7.949 -3.420 1.00 25.00 H new ATOM 0 HB2 LYS B 28 13.411 -5.005 -3.385 1.00 25.00 H new ATOM 0 HB3 LYS B 28 15.056 -5.560 -3.148 1.00 25.00 H new ATOM 0 HG2 LYS B 28 15.048 -6.709 -5.302 1.00 25.00 H new ATOM 0 HG3 LYS B 28 13.341 -6.382 -5.524 1.00 25.00 H new ATOM 0 HD2 LYS B 28 14.705 -4.830 -6.868 1.00 25.00 H new ATOM 0 HD3 LYS B 28 13.776 -3.958 -5.664 1.00 25.00 H new ATOM 0 HE2 LYS B 28 15.976 -2.959 -5.686 1.00 25.00 H new ATOM 0 HE3 LYS B 28 15.874 -3.881 -4.199 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 17.983 -4.276 -5.331 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 17.077 -5.711 -5.284 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 17.177 -4.817 -6.724 1.00 25.00 H new ATOM 770 N PRO B 29 15.059 -7.790 -1.119 1.00 25.00 N ATOM 771 CA PRO B 29 15.555 -7.587 0.256 1.00 25.00 C ATOM 772 C PRO B 29 16.348 -6.256 0.373 1.00 25.00 C ATOM 773 O PRO B 29 17.450 -6.105 -0.158 1.00 25.00 O ATOM 774 CB PRO B 29 16.446 -8.808 0.484 1.00 25.00 C ATOM 775 CG PRO B 29 16.904 -9.208 -0.866 1.00 25.00 C ATOM 776 CD PRO B 29 15.838 -8.808 -1.855 1.00 25.00 C ATOM 0 HA PRO B 29 14.761 -7.503 0.998 1.00 25.00 H new ATOM 0 HB2 PRO B 29 17.289 -8.566 1.131 1.00 25.00 H new ATOM 0 HB3 PRO B 29 15.894 -9.614 0.968 1.00 25.00 H new ATOM 0 HG2 PRO B 29 17.850 -8.723 -1.107 1.00 25.00 H new ATOM 0 HG3 PRO B 29 17.078 -10.283 -0.907 1.00 25.00 H new ATOM 0 HD2 PRO B 29 16.270 -8.401 -2.770 1.00 25.00 H new ATOM 0 HD3 PRO B 29 15.219 -9.657 -2.145 1.00 25.00 H new ATOM 784 N THR B 30 15.693 -5.228 0.975 1.00 25.00 N ATOM 785 CA THR B 30 16.342 -3.901 1.129 1.00 25.00 C ATOM 786 C THR B 30 16.015 -3.193 2.446 1.00 25.00 C ATOM 787 O THR B 30 14.933 -3.223 3.033 1.00 25.00 O ATOM 788 CB THR B 30 16.090 -2.991 -0.088 1.00 25.00 C ATOM 789 OG1 THR B 30 16.874 -1.821 0.105 1.00 25.00 O ATOM 790 CG2 THR B 30 14.617 -2.609 -0.304 1.00 25.00 C ATOM 791 OXT THR B 30 17.049 -2.428 2.830 1.00 25.00 O ATOM 0 H THR B 30 14.746 -5.288 1.350 1.00 25.00 H new ATOM 0 HA THR B 30 17.411 -4.111 1.173 1.00 25.00 H new ATOM 0 HB THR B 30 16.368 -3.541 -0.987 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.157 -1.768 1.042 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.532 -1.968 -1.181 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.025 -3.512 -0.456 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.247 -2.076 0.572 1.00 25.00 H new TER 800 THR B 30