USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 257 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 12 SER OG : rot 143:sc= -1.17! USER MOD Set 1.2: A 14 TYR OH : rot -70:sc= 0.111 USER MOD Single : A 5 GLN : amide:sc= -1.25 K(o=-1.3,f=-6.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 18 ASN : amide:sc= -0.355 K(o=-0.36,f=-3!) USER MOD Single : A 19 TYR OH : rot 148:sc= 0.121 USER MOD Single : A 20 CYS SG : rot 29:sc= 0.461 USER MOD Single : B 3 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-7.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.495 2.232 3.367 1.00 0.00 N ATOM 11 CA ILE A 2 -5.147 2.256 2.737 1.00 0.00 C ATOM 12 C ILE A 2 -4.900 3.631 2.111 1.00 0.00 C ATOM 13 O ILE A 2 -4.189 4.452 2.654 1.00 0.00 O ATOM 14 CB ILE A 2 -5.074 1.182 1.652 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.332 -0.191 2.275 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.688 1.197 1.012 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.317 -1.261 1.180 1.00 0.00 C ATOM 0 HA ILE A 2 -4.388 2.061 3.495 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.828 1.384 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.571 -0.411 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.294 -0.194 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.636 0.431 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.503 2.175 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.934 0.996 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.501 -2.239 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.095 -1.043 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.345 -1.263 0.687 1.00 0.00 H new ATOM 29 N VAL A 3 -5.483 3.886 0.970 1.00 0.00 N ATOM 30 CA VAL A 3 -5.283 5.203 0.305 1.00 0.00 C ATOM 31 C VAL A 3 -5.358 6.324 1.345 1.00 0.00 C ATOM 32 O VAL A 3 -4.711 7.344 1.217 1.00 0.00 O ATOM 33 CB VAL A 3 -6.374 5.411 -0.746 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.035 4.602 -2.000 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.715 4.940 -0.183 1.00 0.00 C ATOM 0 H VAL A 3 -6.090 3.236 0.470 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.304 5.221 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.437 6.468 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.812 4.750 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.077 4.935 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.974 3.544 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.495 5.087 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.651 3.882 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.956 5.515 0.711 1.00 0.00 H new ATOM 45 N GLU A 4 -6.145 6.142 2.370 1.00 0.00 N ATOM 46 CA GLU A 4 -6.266 7.194 3.417 1.00 0.00 C ATOM 47 C GLU A 4 -4.882 7.758 3.743 1.00 0.00 C ATOM 48 O GLU A 4 -4.675 8.955 3.747 1.00 0.00 O ATOM 49 CB GLU A 4 -6.881 6.589 4.679 1.00 0.00 C ATOM 50 CG GLU A 4 -7.165 7.701 5.691 1.00 0.00 C ATOM 51 CD GLU A 4 -8.664 7.746 5.992 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.418 8.093 5.099 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.032 7.435 7.113 1.00 0.00 O ATOM 0 H GLU A 4 -6.710 5.308 2.527 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.905 7.997 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.803 6.064 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.202 5.854 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.604 7.524 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.834 8.661 5.295 1.00 0.00 H new ATOM 60 N GLN A 5 -3.931 6.909 4.020 1.00 0.00 N ATOM 61 CA GLN A 5 -2.567 7.410 4.344 1.00 0.00 C ATOM 62 C GLN A 5 -1.634 7.170 3.157 1.00 0.00 C ATOM 63 O GLN A 5 -0.650 7.861 2.982 1.00 0.00 O ATOM 64 CB GLN A 5 -2.026 6.679 5.574 1.00 0.00 C ATOM 65 CG GLN A 5 -3.132 6.558 6.624 1.00 0.00 C ATOM 66 CD GLN A 5 -3.331 7.909 7.313 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.422 8.929 6.660 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.402 7.960 8.615 1.00 0.00 N ATOM 0 H GLN A 5 -4.039 5.895 4.036 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.620 8.478 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.667 5.689 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.175 7.221 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.061 6.237 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.868 5.798 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.326 7.104 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.534 8.856 9.084 1.00 0.00 H new ATOM 77 N CYS A 6 -1.934 6.202 2.334 1.00 0.00 N ATOM 78 CA CYS A 6 -1.059 5.937 1.159 1.00 0.00 C ATOM 79 C CYS A 6 -1.555 6.758 -0.033 1.00 0.00 C ATOM 80 O CYS A 6 -1.352 6.405 -1.178 1.00 0.00 O ATOM 81 CB CYS A 6 -1.088 4.446 0.819 1.00 0.00 C ATOM 82 SG CYS A 6 0.085 3.571 1.887 1.00 0.00 S ATOM 0 H CYS A 6 -2.743 5.587 2.424 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.034 6.224 1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.093 4.048 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.828 4.294 -0.229 1.00 0.00 H new ATOM 87 N CYS A 7 -2.201 7.858 0.237 1.00 0.00 N ATOM 88 CA CYS A 7 -2.714 8.727 -0.857 1.00 0.00 C ATOM 89 C CYS A 7 -3.057 10.095 -0.268 1.00 0.00 C ATOM 90 O CYS A 7 -2.804 11.122 -0.864 1.00 0.00 O ATOM 91 CB CYS A 7 -3.964 8.100 -1.470 1.00 0.00 C ATOM 92 SG CYS A 7 -4.337 8.918 -3.044 1.00 0.00 S ATOM 0 H CYS A 7 -2.397 8.195 1.180 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.958 8.835 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.808 7.033 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.807 8.200 -0.787 1.00 0.00 H new ATOM 97 N THR A 8 -3.607 10.116 0.917 1.00 0.00 N ATOM 98 CA THR A 8 -3.937 11.415 1.559 1.00 0.00 C ATOM 99 C THR A 8 -2.753 11.796 2.453 1.00 0.00 C ATOM 100 O THR A 8 -2.518 12.951 2.747 1.00 0.00 O ATOM 101 CB THR A 8 -5.246 11.267 2.369 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.254 12.066 1.767 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.061 11.711 3.827 1.00 0.00 C ATOM 0 H THR A 8 -3.841 9.288 1.465 1.00 0.00 H new ATOM 0 HA THR A 8 -4.099 12.202 0.822 1.00 0.00 H new ATOM 0 HB THR A 8 -5.532 10.215 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.088 11.977 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.001 11.593 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.293 11.098 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.757 12.757 3.853 1.00 0.00 H new ATOM 111 N SER A 9 -2.003 10.815 2.867 1.00 0.00 N ATOM 112 CA SER A 9 -0.816 11.069 3.725 1.00 0.00 C ATOM 113 C SER A 9 0.432 10.587 2.978 1.00 0.00 C ATOM 114 O SER A 9 0.557 10.780 1.785 1.00 0.00 O ATOM 115 CB SER A 9 -0.977 10.298 5.034 1.00 0.00 C ATOM 116 OG SER A 9 -0.220 10.935 6.054 1.00 0.00 O ATOM 0 H SER A 9 -2.166 9.833 2.643 1.00 0.00 H new ATOM 0 HA SER A 9 -0.720 12.132 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.029 10.258 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.642 9.269 4.906 1.00 0.00 H new ATOM 0 HG SER A 9 -0.324 10.442 6.895 1.00 0.00 H new ATOM 122 N ILE A 10 1.353 9.953 3.653 1.00 0.00 N ATOM 123 CA ILE A 10 2.572 9.463 2.952 1.00 0.00 C ATOM 124 C ILE A 10 2.626 7.935 3.036 1.00 0.00 C ATOM 125 O ILE A 10 2.504 7.357 4.098 1.00 0.00 O ATOM 126 CB ILE A 10 3.818 10.062 3.608 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.900 11.559 3.284 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.063 9.356 3.074 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.656 11.780 1.789 1.00 0.00 C ATOM 0 H ILE A 10 1.314 9.755 4.653 1.00 0.00 H new ATOM 0 HA ILE A 10 2.538 9.767 1.906 1.00 0.00 H new ATOM 0 HB ILE A 10 3.759 9.928 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.161 12.108 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.879 11.948 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.951 9.782 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.006 8.293 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.122 9.489 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.715 12.845 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.412 11.245 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.667 11.408 1.523 1.00 0.00 H new ATOM 141 N CYS A 11 2.798 7.276 1.921 1.00 0.00 N ATOM 142 CA CYS A 11 2.849 5.784 1.933 1.00 0.00 C ATOM 143 C CYS A 11 4.299 5.317 2.084 1.00 0.00 C ATOM 144 O CYS A 11 5.183 5.763 1.381 1.00 0.00 O ATOM 145 CB CYS A 11 2.276 5.249 0.619 1.00 0.00 C ATOM 146 SG CYS A 11 1.800 3.512 0.820 1.00 0.00 S ATOM 0 H CYS A 11 2.905 7.706 1.002 1.00 0.00 H new ATOM 0 HA CYS A 11 2.262 5.408 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.410 5.841 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.015 5.343 -0.176 1.00 0.00 H new ATOM 151 N SER A 12 4.548 4.421 3.000 1.00 0.00 N ATOM 152 CA SER A 12 5.934 3.922 3.205 1.00 0.00 C ATOM 153 C SER A 12 5.975 2.408 2.977 1.00 0.00 C ATOM 154 O SER A 12 4.953 1.752 2.909 1.00 0.00 O ATOM 155 CB SER A 12 6.368 4.233 4.632 1.00 0.00 C ATOM 156 OG SER A 12 5.215 4.469 5.430 1.00 0.00 O ATOM 0 H SER A 12 3.846 4.012 3.617 1.00 0.00 H new ATOM 0 HA SER A 12 6.607 4.409 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.943 3.401 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.019 5.107 4.645 1.00 0.00 H new ATOM 0 HG SER A 12 5.358 4.102 6.327 1.00 0.00 H new ATOM 162 N LEU A 13 7.150 1.849 2.859 1.00 0.00 N ATOM 163 CA LEU A 13 7.260 0.380 2.635 1.00 0.00 C ATOM 164 C LEU A 13 6.755 -0.372 3.867 1.00 0.00 C ATOM 165 O LEU A 13 6.232 -1.463 3.766 1.00 0.00 O ATOM 166 CB LEU A 13 8.717 0.008 2.377 1.00 0.00 C ATOM 167 CG LEU A 13 8.767 -1.225 1.475 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.137 -2.415 2.200 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.993 -0.948 0.183 1.00 0.00 C ATOM 0 H LEU A 13 8.038 2.348 2.908 1.00 0.00 H new ATOM 0 HA LEU A 13 6.655 0.105 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.240 0.840 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.226 -0.195 3.319 1.00 0.00 H new ATOM 0 HG LEU A 13 9.805 -1.454 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.173 -3.294 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.689 -2.615 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.099 -2.185 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.030 -1.828 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.955 -0.717 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.442 -0.101 -0.336 1.00 0.00 H new ATOM 181 N TYR A 14 6.903 0.196 5.030 1.00 0.00 N ATOM 182 CA TYR A 14 6.425 -0.499 6.257 1.00 0.00 C ATOM 183 C TYR A 14 4.913 -0.310 6.384 1.00 0.00 C ATOM 184 O TYR A 14 4.232 -1.080 7.032 1.00 0.00 O ATOM 185 CB TYR A 14 7.122 0.082 7.489 1.00 0.00 C ATOM 186 CG TYR A 14 6.962 1.583 7.504 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.721 2.153 7.821 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.056 2.406 7.206 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.575 3.547 7.840 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.910 3.800 7.225 1.00 0.00 C ATOM 191 CZ TYR A 14 6.671 4.370 7.542 1.00 0.00 C ATOM 192 OH TYR A 14 6.527 5.743 7.561 1.00 0.00 O ATOM 0 H TYR A 14 7.333 1.108 5.184 1.00 0.00 H new ATOM 0 HA TYR A 14 6.658 -1.562 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.697 -0.348 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.180 -0.180 7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.878 1.518 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.012 1.966 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.619 3.987 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.753 4.434 6.995 1.00 0.00 H new ATOM 0 HH TYR A 14 5.976 6.025 6.801 1.00 0.00 H new ATOM 202 N GLN A 15 4.382 0.710 5.767 1.00 0.00 N ATOM 203 CA GLN A 15 2.916 0.949 5.848 1.00 0.00 C ATOM 204 C GLN A 15 2.178 -0.127 5.060 1.00 0.00 C ATOM 205 O GLN A 15 1.258 -0.744 5.558 1.00 0.00 O ATOM 206 CB GLN A 15 2.586 2.325 5.272 1.00 0.00 C ATOM 207 CG GLN A 15 2.242 3.286 6.411 1.00 0.00 C ATOM 208 CD GLN A 15 1.342 4.404 5.882 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.168 4.545 4.687 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.758 5.209 6.727 1.00 0.00 N ATOM 0 H GLN A 15 4.902 1.388 5.210 1.00 0.00 H new ATOM 0 HA GLN A 15 2.602 0.912 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.435 2.706 4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.747 2.250 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.738 2.749 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.154 3.708 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.905 5.090 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.155 5.957 6.385 1.00 0.00 H new ATOM 219 N LEU A 16 2.567 -0.375 3.839 1.00 0.00 N ATOM 220 CA LEU A 16 1.868 -1.419 3.066 1.00 0.00 C ATOM 221 C LEU A 16 2.293 -2.782 3.621 1.00 0.00 C ATOM 222 O LEU A 16 1.629 -3.780 3.428 1.00 0.00 O ATOM 223 CB LEU A 16 2.198 -1.240 1.572 1.00 0.00 C ATOM 224 CG LEU A 16 3.278 -2.215 1.096 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.473 -2.154 2.041 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.707 -3.637 1.060 1.00 0.00 C ATOM 0 H LEU A 16 3.330 0.098 3.355 1.00 0.00 H new ATOM 0 HA LEU A 16 0.785 -1.345 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.293 -1.387 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.531 -0.217 1.396 1.00 0.00 H new ATOM 0 HG LEU A 16 3.603 -1.938 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.241 -2.849 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.878 -1.142 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.156 -2.428 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.477 -4.330 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.377 -3.922 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.860 -3.672 0.374 1.00 0.00 H new ATOM 238 N GLU A 17 3.383 -2.821 4.345 1.00 0.00 N ATOM 239 CA GLU A 17 3.823 -4.104 4.947 1.00 0.00 C ATOM 240 C GLU A 17 2.806 -4.447 6.021 1.00 0.00 C ATOM 241 O GLU A 17 2.512 -5.594 6.293 1.00 0.00 O ATOM 242 CB GLU A 17 5.210 -3.935 5.570 1.00 0.00 C ATOM 243 CG GLU A 17 6.270 -4.499 4.620 1.00 0.00 C ATOM 244 CD GLU A 17 7.561 -4.767 5.396 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.118 -3.820 5.926 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.971 -5.915 5.447 1.00 0.00 O ATOM 0 H GLU A 17 3.982 -2.019 4.542 1.00 0.00 H new ATOM 0 HA GLU A 17 3.886 -4.894 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.406 -2.881 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.255 -4.451 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.910 -5.421 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.460 -3.794 3.810 1.00 0.00 H new ATOM 253 N ASN A 18 2.238 -3.431 6.600 1.00 0.00 N ATOM 254 CA ASN A 18 1.195 -3.627 7.630 1.00 0.00 C ATOM 255 C ASN A 18 -0.077 -4.082 6.918 1.00 0.00 C ATOM 256 O ASN A 18 -0.920 -4.754 7.478 1.00 0.00 O ATOM 257 CB ASN A 18 0.949 -2.295 8.342 1.00 0.00 C ATOM 258 CG ASN A 18 1.663 -2.292 9.695 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.383 -3.216 10.018 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.493 -1.284 10.506 1.00 0.00 N ATOM 0 H ASN A 18 2.459 -2.456 6.397 1.00 0.00 H new ATOM 0 HA ASN A 18 1.499 -4.371 8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.311 -1.471 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.121 -2.140 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.964 -1.272 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.889 -0.508 10.235 1.00 0.00 H new ATOM 267 N TYR A 19 -0.203 -3.721 5.669 1.00 0.00 N ATOM 268 CA TYR A 19 -1.395 -4.123 4.878 1.00 0.00 C ATOM 269 C TYR A 19 -1.360 -5.638 4.654 1.00 0.00 C ATOM 270 O TYR A 19 -2.384 -6.283 4.536 1.00 0.00 O ATOM 271 CB TYR A 19 -1.362 -3.396 3.527 1.00 0.00 C ATOM 272 CG TYR A 19 -1.557 -1.907 3.730 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.854 -1.394 5.003 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.437 -1.035 2.639 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.028 -0.016 5.182 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.612 0.344 2.819 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.907 0.853 4.090 1.00 0.00 C ATOM 278 OH TYR A 19 -2.078 2.211 4.266 1.00 0.00 O ATOM 0 H TYR A 19 0.479 -3.158 5.160 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.308 -3.859 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.410 -3.581 3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.144 -3.787 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.948 -2.063 5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.209 -1.426 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.255 0.377 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.519 1.014 1.977 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.505 2.697 3.637 1.00 0.00 H new ATOM 288 N CYS A 20 -0.187 -6.211 4.603 1.00 0.00 N ATOM 289 CA CYS A 20 -0.079 -7.685 4.397 1.00 0.00 C ATOM 290 C CYS A 20 1.176 -8.204 5.101 1.00 0.00 C ATOM 291 O CYS A 20 2.231 -7.606 5.031 1.00 0.00 O ATOM 292 CB CYS A 20 0.017 -7.992 2.900 1.00 0.00 C ATOM 293 SG CYS A 20 1.450 -7.143 2.196 1.00 0.00 S ATOM 0 H CYS A 20 0.703 -5.721 4.695 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.962 -8.173 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.106 -9.067 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.893 -7.671 2.394 1.00 0.00 H new ATOM 0 HG CYS A 20 2.360 -6.994 3.113 1.00 0.00 H new ATOM 352 N ASN B 3 7.687 8.142 -0.216 1.00 0.00 N ATOM 353 CA ASN B 3 6.995 8.988 0.797 1.00 0.00 C ATOM 354 C ASN B 3 6.044 9.962 0.097 1.00 0.00 C ATOM 355 O ASN B 3 5.982 11.129 0.429 1.00 0.00 O ATOM 356 CB ASN B 3 8.035 9.778 1.595 1.00 0.00 C ATOM 357 CG ASN B 3 9.207 10.147 0.682 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.324 9.725 0.909 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.999 10.920 -0.347 1.00 0.00 N ATOM 0 HA ASN B 3 6.424 8.349 1.470 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.584 10.680 2.008 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.390 9.185 2.438 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.774 11.171 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.062 11.274 -0.538 1.00 0.00 H new ATOM 366 N GLN B 4 5.304 9.496 -0.872 1.00 0.00 N ATOM 367 CA GLN B 4 4.366 10.394 -1.592 1.00 0.00 C ATOM 368 C GLN B 4 2.971 9.763 -1.633 1.00 0.00 C ATOM 369 O GLN B 4 2.738 8.709 -1.076 1.00 0.00 O ATOM 370 CB GLN B 4 4.876 10.591 -3.017 1.00 0.00 C ATOM 371 CG GLN B 4 5.585 11.942 -3.126 1.00 0.00 C ATOM 372 CD GLN B 4 5.576 12.408 -4.583 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.674 13.105 -5.004 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.548 12.051 -5.375 1.00 0.00 N ATOM 0 H GLN B 4 5.311 8.528 -1.195 1.00 0.00 H new ATOM 0 HA GLN B 4 4.306 11.353 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.562 9.787 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.045 10.547 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.087 12.678 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.611 11.856 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.305 11.466 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.551 12.357 -6.348 1.00 0.00 H new ATOM 383 N HIS B 5 2.042 10.404 -2.291 1.00 0.00 N ATOM 384 CA HIS B 5 0.661 9.846 -2.376 1.00 0.00 C ATOM 385 C HIS B 5 0.552 8.957 -3.617 1.00 0.00 C ATOM 386 O HIS B 5 0.390 9.432 -4.724 1.00 0.00 O ATOM 387 CB HIS B 5 -0.346 10.991 -2.474 1.00 0.00 C ATOM 388 CG HIS B 5 0.005 12.050 -1.468 1.00 0.00 C ATOM 389 ND1 HIS B 5 -0.689 12.174 -0.282 1.00 0.00 N ATOM 390 CD2 HIS B 5 0.972 13.017 -1.479 1.00 0.00 C ATOM 391 CE1 HIS B 5 -0.131 13.196 0.383 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.889 13.743 -0.310 1.00 0.00 N ATOM 0 H HIS B 5 2.180 11.292 -2.774 1.00 0.00 H new ATOM 0 HA HIS B 5 0.448 9.255 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.338 11.412 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.354 10.620 -2.291 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -1.473 11.600 0.028 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.684 13.184 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.458 13.539 1.354 1.00 0.00 H new ATOM 400 N LEU B 6 0.658 7.671 -3.439 1.00 0.00 N ATOM 401 CA LEU B 6 0.583 6.739 -4.609 1.00 0.00 C ATOM 402 C LEU B 6 -0.831 6.153 -4.766 1.00 0.00 C ATOM 403 O LEU B 6 -1.122 5.493 -5.744 1.00 0.00 O ATOM 404 CB LEU B 6 1.580 5.584 -4.431 1.00 0.00 C ATOM 405 CG LEU B 6 1.981 5.436 -2.960 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.749 5.071 -2.128 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.030 4.333 -2.828 1.00 0.00 C ATOM 0 H LEU B 6 0.794 7.220 -2.534 1.00 0.00 H new ATOM 0 HA LEU B 6 0.830 7.313 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.135 4.655 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.467 5.766 -5.038 1.00 0.00 H new ATOM 0 HG LEU B 6 2.395 6.378 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.035 4.966 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.000 5.857 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.333 4.129 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.316 4.227 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.615 3.392 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.908 4.593 -3.420 1.00 0.00 H new ATOM 419 N CYS B 7 -1.711 6.384 -3.829 1.00 0.00 N ATOM 420 CA CYS B 7 -3.092 5.834 -3.947 1.00 0.00 C ATOM 421 C CYS B 7 -3.050 4.360 -4.360 1.00 0.00 C ATOM 422 O CYS B 7 -2.001 3.765 -4.482 1.00 0.00 O ATOM 423 CB CYS B 7 -3.873 6.639 -4.983 1.00 0.00 C ATOM 424 SG CYS B 7 -5.240 7.495 -4.161 1.00 0.00 S ATOM 0 H CYS B 7 -1.533 6.930 -2.986 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.585 5.908 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.217 7.360 -5.471 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.256 5.979 -5.761 1.00 0.00 H new ATOM 429 N GLY B 8 -4.197 3.765 -4.546 1.00 0.00 N ATOM 430 CA GLY B 8 -4.252 2.324 -4.924 1.00 0.00 C ATOM 431 C GLY B 8 -3.315 2.031 -6.098 1.00 0.00 C ATOM 432 O GLY B 8 -2.205 1.593 -5.906 1.00 0.00 O ATOM 0 H GLY B 8 -5.105 4.219 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.973 1.709 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.273 2.053 -5.192 1.00 0.00 H new ATOM 436 N SER B 9 -3.784 2.253 -7.303 1.00 0.00 N ATOM 437 CA SER B 9 -2.980 1.982 -8.542 1.00 0.00 C ATOM 438 C SER B 9 -1.488 1.809 -8.238 1.00 0.00 C ATOM 439 O SER B 9 -0.898 0.788 -8.536 1.00 0.00 O ATOM 440 CB SER B 9 -3.157 3.147 -9.516 1.00 0.00 C ATOM 441 OG SER B 9 -2.419 2.884 -10.702 1.00 0.00 O ATOM 0 H SER B 9 -4.717 2.621 -7.486 1.00 0.00 H new ATOM 0 HA SER B 9 -3.342 1.050 -8.976 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.212 3.281 -9.753 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.813 4.074 -9.058 1.00 0.00 H new ATOM 0 HG SER B 9 -2.532 3.628 -11.329 1.00 0.00 H new ATOM 447 N ASP B 10 -0.870 2.797 -7.661 1.00 0.00 N ATOM 448 CA ASP B 10 0.585 2.682 -7.361 1.00 0.00 C ATOM 449 C ASP B 10 0.808 1.897 -6.064 1.00 0.00 C ATOM 450 O ASP B 10 1.655 1.027 -5.992 1.00 0.00 O ATOM 451 CB ASP B 10 1.180 4.083 -7.214 1.00 0.00 C ATOM 452 CG ASP B 10 1.904 4.470 -8.505 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.820 3.760 -8.883 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.529 5.472 -9.093 1.00 0.00 O ATOM 0 H ASP B 10 -1.305 3.677 -7.384 1.00 0.00 H new ATOM 0 HA ASP B 10 1.073 2.151 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.391 4.803 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.874 4.108 -6.374 1.00 0.00 H new ATOM 459 N LEU B 11 0.070 2.207 -5.036 1.00 0.00 N ATOM 460 CA LEU B 11 0.258 1.492 -3.743 1.00 0.00 C ATOM 461 C LEU B 11 -0.283 0.063 -3.844 1.00 0.00 C ATOM 462 O LEU B 11 -0.101 -0.746 -2.954 1.00 0.00 O ATOM 463 CB LEU B 11 -0.446 2.284 -2.625 1.00 0.00 C ATOM 464 CG LEU B 11 -1.849 1.733 -2.344 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.790 0.773 -1.157 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.786 2.895 -2.002 1.00 0.00 C ATOM 0 H LEU B 11 -0.655 2.924 -5.035 1.00 0.00 H new ATOM 0 HA LEU B 11 1.320 1.423 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.152 2.241 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.517 3.334 -2.910 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.217 1.205 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.787 0.381 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.116 -0.051 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.425 1.304 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.786 2.509 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.414 3.415 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.827 3.589 -2.842 1.00 0.00 H new ATOM 478 N VAL B 12 -0.920 -0.263 -4.928 1.00 0.00 N ATOM 479 CA VAL B 12 -1.443 -1.641 -5.090 1.00 0.00 C ATOM 480 C VAL B 12 -0.435 -2.432 -5.918 1.00 0.00 C ATOM 481 O VAL B 12 -0.340 -3.639 -5.821 1.00 0.00 O ATOM 482 CB VAL B 12 -2.790 -1.603 -5.805 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.732 -0.651 -5.068 1.00 0.00 C ATOM 484 CG2 VAL B 12 -2.583 -1.102 -7.229 1.00 0.00 C ATOM 0 H VAL B 12 -1.101 0.366 -5.710 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.584 -2.111 -4.117 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.224 -2.603 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.695 -0.624 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.874 -0.999 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.300 0.350 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.542 -1.072 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.153 -0.101 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.906 -1.774 -7.757 1.00 0.00 H new ATOM 494 N GLU B 13 0.348 -1.746 -6.709 1.00 0.00 N ATOM 495 CA GLU B 13 1.378 -2.438 -7.514 1.00 0.00 C ATOM 496 C GLU B 13 2.455 -2.908 -6.544 1.00 0.00 C ATOM 497 O GLU B 13 3.007 -3.985 -6.668 1.00 0.00 O ATOM 498 CB GLU B 13 1.970 -1.458 -8.526 1.00 0.00 C ATOM 499 CG GLU B 13 1.129 -1.473 -9.804 1.00 0.00 C ATOM 500 CD GLU B 13 1.732 -2.461 -10.803 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.262 -3.469 -10.364 1.00 0.00 O ATOM 502 OE2 GLU B 13 1.655 -2.194 -11.991 1.00 0.00 O ATOM 0 H GLU B 13 0.313 -0.734 -6.827 1.00 0.00 H new ATOM 0 HA GLU B 13 0.958 -3.282 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.992 -0.453 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.000 -1.731 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.102 -1.756 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.094 -0.475 -10.240 1.00 0.00 H new ATOM 509 N ALA B 14 2.721 -2.108 -5.547 1.00 0.00 N ATOM 510 CA ALA B 14 3.722 -2.498 -4.524 1.00 0.00 C ATOM 511 C ALA B 14 3.085 -3.564 -3.642 1.00 0.00 C ATOM 512 O ALA B 14 3.726 -4.496 -3.201 1.00 0.00 O ATOM 513 CB ALA B 14 4.077 -1.280 -3.677 1.00 0.00 C ATOM 0 H ALA B 14 2.284 -1.198 -5.400 1.00 0.00 H new ATOM 0 HA ALA B 14 4.629 -2.879 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.813 -1.562 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.493 -0.501 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.180 -0.905 -3.185 1.00 0.00 H new ATOM 519 N LEU B 15 1.807 -3.438 -3.408 1.00 0.00 N ATOM 520 CA LEU B 15 1.089 -4.438 -2.586 1.00 0.00 C ATOM 521 C LEU B 15 1.371 -5.826 -3.160 1.00 0.00 C ATOM 522 O LEU B 15 1.360 -6.818 -2.461 1.00 0.00 O ATOM 523 CB LEU B 15 -0.411 -4.136 -2.682 1.00 0.00 C ATOM 524 CG LEU B 15 -0.891 -3.236 -1.528 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.571 -4.096 -0.466 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.280 -2.477 -0.887 1.00 0.00 C ATOM 0 H LEU B 15 1.228 -2.674 -3.758 1.00 0.00 H new ATOM 0 HA LEU B 15 1.412 -4.401 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.623 -3.649 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.971 -5.071 -2.670 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.592 -2.507 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.912 -3.462 0.352 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.425 -4.610 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.862 -4.831 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.092 -1.851 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.003 -3.190 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.762 -1.850 -1.637 1.00 0.00 H new ATOM 538 N TYR B 16 1.631 -5.895 -4.435 1.00 0.00 N ATOM 539 CA TYR B 16 1.923 -7.207 -5.070 1.00 0.00 C ATOM 540 C TYR B 16 3.394 -7.557 -4.844 1.00 0.00 C ATOM 541 O TYR B 16 3.720 -8.493 -4.141 1.00 0.00 O ATOM 542 CB TYR B 16 1.641 -7.114 -6.574 1.00 0.00 C ATOM 543 CG TYR B 16 2.291 -8.276 -7.291 1.00 0.00 C ATOM 544 CD1 TYR B 16 1.933 -9.589 -6.961 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.253 -8.038 -8.283 1.00 0.00 C ATOM 546 CE1 TYR B 16 2.535 -10.667 -7.624 1.00 0.00 C ATOM 547 CE2 TYR B 16 3.855 -9.116 -8.946 1.00 0.00 C ATOM 548 CZ TYR B 16 3.495 -10.431 -8.616 1.00 0.00 C ATOM 549 OH TYR B 16 4.090 -11.492 -9.268 1.00 0.00 O ATOM 0 H TYR B 16 1.654 -5.094 -5.067 1.00 0.00 H new ATOM 0 HA TYR B 16 1.293 -7.980 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.566 -7.120 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.024 -6.172 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.193 -9.771 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.530 -7.025 -8.536 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.259 -11.680 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.596 -8.934 -9.711 1.00 0.00 H new ATOM 0 HH TYR B 16 4.731 -11.153 -9.927 1.00 0.00 H new ATOM 559 N LEU B 17 4.285 -6.815 -5.442 1.00 0.00 N ATOM 560 CA LEU B 17 5.726 -7.101 -5.276 1.00 0.00 C ATOM 561 C LEU B 17 6.129 -6.971 -3.800 1.00 0.00 C ATOM 562 O LEU B 17 7.213 -7.358 -3.410 1.00 0.00 O ATOM 563 CB LEU B 17 6.522 -6.121 -6.142 1.00 0.00 C ATOM 564 CG LEU B 17 6.685 -4.790 -5.410 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.127 -4.651 -4.917 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.358 -3.639 -6.362 1.00 0.00 C ATOM 0 H LEU B 17 4.069 -6.019 -6.041 1.00 0.00 H new ATOM 0 HA LEU B 17 5.940 -8.122 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.501 -6.540 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.010 -5.963 -7.091 1.00 0.00 H new ATOM 0 HG LEU B 17 6.006 -4.760 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.243 -3.701 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.359 -5.470 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.807 -4.682 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.475 -2.690 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.036 -3.669 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.330 -3.737 -6.712 1.00 0.00 H new ATOM 578 N VAL B 18 5.269 -6.434 -2.975 1.00 0.00 N ATOM 579 CA VAL B 18 5.615 -6.288 -1.529 1.00 0.00 C ATOM 580 C VAL B 18 5.185 -7.546 -0.768 1.00 0.00 C ATOM 581 O VAL B 18 5.993 -8.235 -0.175 1.00 0.00 O ATOM 582 CB VAL B 18 4.880 -5.084 -0.934 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.014 -5.117 0.587 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.483 -3.779 -1.458 1.00 0.00 C ATOM 0 H VAL B 18 4.345 -6.091 -3.238 1.00 0.00 H new ATOM 0 HA VAL B 18 6.692 -6.144 -1.440 1.00 0.00 H new ATOM 0 HB VAL B 18 3.830 -5.133 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.492 -4.262 1.017 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.577 -6.039 0.971 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.068 -5.074 0.860 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.950 -2.932 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.535 -3.726 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.394 -3.748 -2.544 1.00 0.00 H new