USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.239 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.702 (180deg=-2.09!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -122:sc= -2.69! USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= -0.374 (180deg=-0.432) USER MOD Single : A 86 THR OG1 : rot 98:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 19 -1.757 3.842 5.918 1.00 1.07 N ATOM 56 CA GLY A 19 -0.577 4.390 5.286 1.00 0.82 C ATOM 57 C GLY A 19 -0.797 4.806 3.845 1.00 0.70 C ATOM 58 O GLY A 19 -1.958 4.926 3.366 1.00 1.05 O ATOM 0 HA2 GLY A 19 -0.238 5.254 5.857 1.00 0.82 H new ATOM 0 HA3 GLY A 19 0.222 3.649 5.324 1.00 0.82 H new ATOM 62 N SER A 20 0.300 5.011 3.150 1.00 0.60 N ATOM 63 CA SER A 20 0.301 5.439 1.765 1.00 0.70 C ATOM 64 C SER A 20 0.283 4.218 0.856 1.00 0.53 C ATOM 65 O SER A 20 0.865 3.178 1.198 1.00 0.89 O ATOM 66 CB SER A 20 1.545 6.284 1.499 1.00 1.22 C ATOM 67 OG SER A 20 1.626 7.356 2.423 1.00 1.81 O ATOM 0 H SER A 20 1.235 4.883 3.537 1.00 0.60 H new ATOM 0 HA SER A 20 -0.585 6.040 1.562 1.00 0.70 H new ATOM 0 HB2 SER A 20 2.437 5.662 1.576 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.515 6.675 0.482 1.00 1.22 H new ATOM 0 HG SER A 20 2.430 7.886 2.239 1.00 1.81 H new ATOM 73 N LYS A 21 -0.376 4.328 -0.268 1.00 0.67 N ATOM 74 CA LYS A 21 -0.534 3.209 -1.166 1.00 0.88 C ATOM 75 C LYS A 21 0.590 3.237 -2.163 1.00 0.70 C ATOM 76 O LYS A 21 0.707 4.166 -2.955 1.00 1.07 O ATOM 77 CB LYS A 21 -1.919 3.232 -1.856 1.00 1.67 C ATOM 78 CG LYS A 21 -3.143 3.072 -0.911 1.00 2.31 C ATOM 79 CD LYS A 21 -3.253 4.207 0.112 1.00 3.10 C ATOM 80 CE LYS A 21 -4.420 4.037 1.043 1.00 3.78 C ATOM 81 NZ LYS A 21 -4.449 5.130 2.046 1.00 4.35 N ATOM 0 H LYS A 21 -0.817 5.190 -0.588 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.491 2.276 -0.604 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -2.020 4.173 -2.396 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.949 2.434 -2.598 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -4.055 3.036 -1.507 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -3.069 2.120 -0.385 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -2.333 4.256 0.694 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -3.348 5.157 -0.414 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -5.349 4.033 0.474 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.352 3.074 1.548 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -5.252 4.987 2.692 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -3.562 5.126 2.590 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -4.553 6.044 1.561 1.00 4.35 H new ATOM 95 N ILE A 22 1.436 2.252 -2.101 1.00 0.48 N ATOM 96 CA ILE A 22 2.627 2.247 -2.897 1.00 0.59 C ATOM 97 C ILE A 22 3.086 0.829 -3.207 1.00 0.43 C ATOM 98 O ILE A 22 2.822 -0.111 -2.440 1.00 0.51 O ATOM 99 CB ILE A 22 3.746 3.058 -2.148 1.00 1.12 C ATOM 100 CG1 ILE A 22 5.089 3.017 -2.870 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.892 2.574 -0.729 1.00 1.77 C ATOM 102 CD1 ILE A 22 6.138 3.903 -2.246 1.00 2.41 C ATOM 0 H ILE A 22 1.321 1.435 -1.502 1.00 0.48 H new ATOM 0 HA ILE A 22 2.417 2.723 -3.855 1.00 0.59 H new ATOM 0 HB ILE A 22 3.426 4.100 -2.139 1.00 1.12 H new ATOM 0 HG12 ILE A 22 5.454 1.990 -2.883 1.00 1.51 H new ATOM 0 HG13 ILE A 22 4.943 3.316 -3.908 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.671 3.148 -0.227 1.00 1.77 H new ATOM 0 HG22 ILE A 22 2.948 2.705 -0.201 1.00 1.77 H new ATOM 0 HG23 ILE A 22 4.163 1.518 -0.731 1.00 1.77 H new ATOM 0 HD11 ILE A 22 7.066 3.823 -2.812 1.00 2.41 H new ATOM 0 HD12 ILE A 22 5.794 4.937 -2.258 1.00 2.41 H new ATOM 0 HD13 ILE A 22 6.313 3.590 -1.217 1.00 2.41 H new ATOM 114 N SER A 23 3.729 0.686 -4.334 1.00 0.44 N ATOM 115 CA SER A 23 4.302 -0.546 -4.749 1.00 0.38 C ATOM 116 C SER A 23 5.807 -0.447 -4.534 1.00 0.34 C ATOM 117 O SER A 23 6.440 0.527 -4.968 1.00 0.52 O ATOM 118 CB SER A 23 3.996 -0.773 -6.222 1.00 0.53 C ATOM 119 OG SER A 23 2.593 -0.718 -6.454 1.00 1.33 O ATOM 0 H SER A 23 3.867 1.447 -4.999 1.00 0.44 H new ATOM 0 HA SER A 23 3.893 -1.380 -4.179 1.00 0.38 H new ATOM 0 HB2 SER A 23 4.500 -0.018 -6.825 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.385 -1.742 -6.535 1.00 0.53 H new ATOM 0 HG SER A 23 2.413 -0.864 -7.406 1.00 1.33 H new ATOM 125 N LEU A 24 6.358 -1.403 -3.854 1.00 0.34 N ATOM 126 CA LEU A 24 7.766 -1.419 -3.580 1.00 0.37 C ATOM 127 C LEU A 24 8.387 -2.689 -4.083 1.00 0.35 C ATOM 128 O LEU A 24 7.884 -3.780 -3.822 1.00 0.50 O ATOM 129 CB LEU A 24 8.013 -1.241 -2.070 1.00 0.56 C ATOM 130 CG LEU A 24 9.453 -1.394 -1.574 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.372 -0.439 -2.292 1.00 1.20 C ATOM 132 CD2 LEU A 24 9.516 -1.163 -0.076 1.00 1.45 C ATOM 0 H LEU A 24 5.846 -2.197 -3.471 1.00 0.34 H new ATOM 0 HA LEU A 24 8.237 -0.587 -4.105 1.00 0.37 H new ATOM 0 HB2 LEU A 24 7.661 -0.250 -1.785 1.00 0.56 H new ATOM 0 HB3 LEU A 24 7.394 -1.964 -1.539 1.00 0.56 H new ATOM 0 HG LEU A 24 9.785 -2.410 -1.789 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.390 -0.566 -1.923 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.346 -0.644 -3.362 1.00 1.20 H new ATOM 0 HD13 LEU A 24 10.046 0.585 -2.111 1.00 1.20 H new ATOM 0 HD21 LEU A 24 10.545 -1.274 0.266 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.164 -0.157 0.152 1.00 1.45 H new ATOM 0 HD23 LEU A 24 8.884 -1.892 0.431 1.00 1.45 H new ATOM 144 N ILE A 25 9.437 -2.555 -4.838 1.00 0.29 N ATOM 145 CA ILE A 25 10.171 -3.705 -5.261 1.00 0.28 C ATOM 146 C ILE A 25 11.437 -3.791 -4.456 1.00 0.25 C ATOM 147 O ILE A 25 12.220 -2.832 -4.407 1.00 0.29 O ATOM 148 CB ILE A 25 10.536 -3.693 -6.771 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.272 -3.573 -7.629 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.299 -4.986 -7.121 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.540 -3.516 -9.125 1.00 0.72 C ATOM 0 H ILE A 25 9.802 -1.663 -5.171 1.00 0.29 H new ATOM 0 HA ILE A 25 9.526 -4.569 -5.101 1.00 0.28 H new ATOM 0 HB ILE A 25 11.170 -2.831 -6.979 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.622 -4.422 -7.419 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.729 -2.675 -7.334 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.557 -4.981 -8.180 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.210 -5.043 -6.526 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.670 -5.850 -6.905 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.595 -3.431 -9.661 1.00 0.72 H new ATOM 0 HD12 ILE A 25 10.163 -2.651 -9.350 1.00 0.72 H new ATOM 0 HD13 ILE A 25 10.054 -4.425 -9.437 1.00 0.72 H new ATOM 163 N SER A 26 11.634 -4.911 -3.818 1.00 0.27 N ATOM 164 CA SER A 26 12.822 -5.142 -3.058 1.00 0.31 C ATOM 165 C SER A 26 13.934 -5.536 -4.013 1.00 0.29 C ATOM 166 O SER A 26 13.660 -5.965 -5.136 1.00 0.28 O ATOM 167 CB SER A 26 12.566 -6.256 -2.043 1.00 0.45 C ATOM 168 OG SER A 26 12.127 -7.442 -2.693 1.00 1.34 O ATOM 0 H SER A 26 10.973 -5.687 -3.813 1.00 0.27 H new ATOM 0 HA SER A 26 13.112 -4.241 -2.517 1.00 0.31 H new ATOM 0 HB2 SER A 26 13.478 -6.460 -1.483 1.00 0.45 H new ATOM 0 HB3 SER A 26 11.815 -5.932 -1.323 1.00 0.45 H new ATOM 0 HG SER A 26 11.971 -8.142 -2.025 1.00 1.34 H new ATOM 174 N LYS A 27 15.181 -5.401 -3.579 1.00 0.35 N ATOM 175 CA LYS A 27 16.350 -5.781 -4.390 1.00 0.41 C ATOM 176 C LYS A 27 16.307 -7.245 -4.893 1.00 0.45 C ATOM 177 O LYS A 27 17.102 -7.621 -5.736 1.00 0.60 O ATOM 178 CB LYS A 27 17.682 -5.482 -3.634 1.00 0.53 C ATOM 179 CG LYS A 27 17.788 -6.058 -2.190 1.00 0.83 C ATOM 180 CD LYS A 27 17.737 -7.606 -2.095 1.00 0.74 C ATOM 181 CE LYS A 27 19.036 -8.328 -2.549 1.00 1.33 C ATOM 182 NZ LYS A 27 19.414 -8.088 -3.963 1.00 2.12 N ATOM 0 H LYS A 27 15.419 -5.027 -2.660 1.00 0.35 H new ATOM 0 HA LYS A 27 16.310 -5.158 -5.283 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.509 -5.877 -4.224 1.00 0.53 H new ATOM 0 HB3 LYS A 27 17.814 -4.401 -3.584 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.721 -5.712 -1.745 1.00 0.83 H new ATOM 0 HG3 LYS A 27 16.977 -5.645 -1.590 1.00 0.83 H new ATOM 0 HD2 LYS A 27 17.523 -7.886 -1.063 1.00 0.74 H new ATOM 0 HD3 LYS A 27 16.906 -7.966 -2.702 1.00 0.74 H new ATOM 0 HE2 LYS A 27 19.857 -8.008 -1.908 1.00 1.33 H new ATOM 0 HE3 LYS A 27 18.912 -9.400 -2.397 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 20.034 -8.856 -4.292 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 18.557 -8.059 -4.551 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 19.917 -7.181 -4.039 1.00 2.12 H new ATOM 196 N ALA A 28 15.385 -8.047 -4.350 1.00 0.44 N ATOM 197 CA ALA A 28 15.215 -9.448 -4.728 1.00 0.52 C ATOM 198 C ALA A 28 14.316 -9.552 -5.955 1.00 0.41 C ATOM 199 O ALA A 28 13.934 -10.648 -6.376 1.00 0.48 O ATOM 200 CB ALA A 28 14.619 -10.224 -3.568 1.00 0.70 C ATOM 0 H ALA A 28 14.732 -7.737 -3.630 1.00 0.44 H new ATOM 0 HA ALA A 28 16.188 -9.874 -4.973 1.00 0.52 H new ATOM 0 HB1 ALA A 28 14.494 -11.268 -3.855 1.00 0.70 H new ATOM 0 HB2 ALA A 28 15.285 -10.161 -2.708 1.00 0.70 H new ATOM 0 HB3 ALA A 28 13.649 -9.801 -3.307 1.00 0.70 H new ATOM 206 N GLU A 29 13.979 -8.381 -6.484 1.00 0.34 N ATOM 207 CA GLU A 29 13.165 -8.179 -7.669 1.00 0.38 C ATOM 208 C GLU A 29 11.725 -8.560 -7.351 1.00 0.40 C ATOM 209 O GLU A 29 10.941 -8.952 -8.225 1.00 0.55 O ATOM 210 CB GLU A 29 13.708 -8.994 -8.858 1.00 0.58 C ATOM 211 CG GLU A 29 13.427 -8.329 -10.190 1.00 1.38 C ATOM 212 CD GLU A 29 14.170 -7.019 -10.314 1.00 1.79 C ATOM 213 OE1 GLU A 29 13.731 -6.035 -9.703 1.00 2.59 O ATOM 214 OE2 GLU A 29 15.167 -6.930 -11.062 1.00 2.01 O ATOM 0 H GLU A 29 14.286 -7.500 -6.071 1.00 0.34 H new ATOM 0 HA GLU A 29 13.202 -7.129 -7.958 1.00 0.38 H new ATOM 0 HB2 GLU A 29 14.783 -9.129 -8.742 1.00 0.58 H new ATOM 0 HB3 GLU A 29 13.260 -9.987 -8.849 1.00 0.58 H new ATOM 0 HG2 GLU A 29 13.721 -8.995 -11.001 1.00 1.38 H new ATOM 0 HG3 GLU A 29 12.356 -8.154 -10.293 1.00 1.38 H new ATOM 221 N ILE A 30 11.354 -8.370 -6.104 1.00 0.39 N ATOM 222 CA ILE A 30 10.040 -8.781 -5.654 1.00 0.52 C ATOM 223 C ILE A 30 9.132 -7.578 -5.400 1.00 0.55 C ATOM 224 O ILE A 30 9.500 -6.653 -4.676 1.00 0.59 O ATOM 225 CB ILE A 30 10.116 -9.657 -4.375 1.00 0.63 C ATOM 226 CG1 ILE A 30 10.962 -10.930 -4.618 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.722 -10.026 -3.910 1.00 0.80 C ATOM 228 CD1 ILE A 30 10.424 -11.832 -5.715 1.00 1.17 C ATOM 0 H ILE A 30 11.937 -7.937 -5.388 1.00 0.39 H new ATOM 0 HA ILE A 30 9.612 -9.380 -6.458 1.00 0.52 H new ATOM 0 HB ILE A 30 10.606 -9.076 -3.594 1.00 0.63 H new ATOM 0 HG12 ILE A 30 11.980 -10.634 -4.872 1.00 0.70 H new ATOM 0 HG13 ILE A 30 11.018 -11.499 -3.690 1.00 0.70 H new ATOM 0 HG21 ILE A 30 8.789 -10.640 -3.012 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.160 -9.119 -3.688 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.213 -10.585 -4.695 1.00 0.80 H new ATOM 0 HD11 ILE A 30 11.073 -12.701 -5.823 1.00 1.17 H new ATOM 0 HD12 ILE A 30 9.418 -12.161 -5.455 1.00 1.17 H new ATOM 0 HD13 ILE A 30 10.394 -11.283 -6.656 1.00 1.17 H new ATOM 240 N ARG A 31 7.954 -7.620 -6.000 1.00 0.64 N ATOM 241 CA ARG A 31 6.956 -6.564 -5.893 1.00 0.75 C ATOM 242 C ARG A 31 6.078 -6.760 -4.651 1.00 0.55 C ATOM 243 O ARG A 31 5.484 -7.818 -4.469 1.00 0.76 O ATOM 244 CB ARG A 31 6.036 -6.579 -7.145 1.00 1.35 C ATOM 245 CG ARG A 31 6.720 -6.239 -8.473 1.00 2.13 C ATOM 246 CD ARG A 31 5.717 -6.366 -9.620 1.00 2.61 C ATOM 247 NE ARG A 31 6.268 -5.988 -10.931 1.00 3.25 N ATOM 248 CZ ARG A 31 5.542 -5.943 -12.074 1.00 3.86 C ATOM 249 NH1 ARG A 31 4.262 -6.296 -12.071 1.00 3.95 N ATOM 250 NH2 ARG A 31 6.104 -5.559 -13.203 1.00 4.71 N ATOM 0 H ARG A 31 7.658 -8.401 -6.585 1.00 0.64 H new ATOM 0 HA ARG A 31 7.485 -5.614 -5.817 1.00 0.75 H new ATOM 0 HB2 ARG A 31 5.586 -7.568 -7.231 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.222 -5.872 -6.984 1.00 1.35 H new ATOM 0 HG2 ARG A 31 7.119 -5.225 -8.438 1.00 2.13 H new ATOM 0 HG3 ARG A 31 7.564 -6.909 -8.640 1.00 2.13 H new ATOM 0 HD2 ARG A 31 5.362 -7.395 -9.668 1.00 2.61 H new ATOM 0 HD3 ARG A 31 4.851 -5.740 -9.405 1.00 2.61 H new ATOM 0 HE ARG A 31 7.257 -5.745 -10.982 1.00 3.25 H new ATOM 0 HH11 ARG A 31 3.820 -6.603 -11.205 1.00 3.95 H new ATOM 0 HH12 ARG A 31 3.721 -6.260 -12.935 1.00 3.95 H new ATOM 0 HH21 ARG A 31 7.089 -5.294 -13.218 1.00 4.71 H new ATOM 0 HH22 ARG A 31 5.554 -5.527 -14.061 1.00 4.71 H new ATOM 264 N TYR A 32 6.016 -5.751 -3.808 1.00 0.47 N ATOM 265 CA TYR A 32 5.121 -5.746 -2.662 1.00 0.59 C ATOM 266 C TYR A 32 4.183 -4.544 -2.752 1.00 0.56 C ATOM 267 O TYR A 32 4.637 -3.411 -2.935 1.00 0.69 O ATOM 268 CB TYR A 32 5.894 -5.717 -1.322 1.00 0.84 C ATOM 269 CG TYR A 32 6.675 -6.984 -1.012 1.00 1.16 C ATOM 270 CD1 TYR A 32 6.045 -8.123 -0.522 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.051 -7.033 -1.225 1.00 1.32 C ATOM 272 CE1 TYR A 32 6.764 -9.283 -0.252 1.00 2.32 C ATOM 273 CE2 TYR A 32 8.778 -8.183 -0.960 1.00 1.86 C ATOM 274 CZ TYR A 32 8.089 -9.318 -0.414 1.00 2.34 C ATOM 275 OH TYR A 32 8.852 -10.456 -0.209 1.00 3.01 O ATOM 0 H TYR A 32 6.584 -4.908 -3.895 1.00 0.47 H new ATOM 0 HA TYR A 32 4.544 -6.670 -2.684 1.00 0.59 H new ATOM 0 HB2 TYR A 32 6.585 -4.874 -1.335 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.186 -5.536 -0.513 1.00 0.84 H new ATOM 0 HD1 TYR A 32 4.979 -8.107 -0.348 1.00 1.70 H new ATOM 0 HD2 TYR A 32 8.560 -6.159 -1.603 1.00 1.32 H new ATOM 0 HE1 TYR A 32 6.245 -10.165 0.092 1.00 2.32 H new ATOM 0 HE2 TYR A 32 9.839 -8.224 -1.160 1.00 1.86 H new ATOM 0 HH TYR A 32 9.795 -10.254 -0.386 1.00 3.01 H new ATOM 285 N GLU A 33 2.903 -4.799 -2.647 1.00 0.53 N ATOM 286 CA GLU A 33 1.893 -3.752 -2.690 1.00 0.52 C ATOM 287 C GLU A 33 1.112 -3.729 -1.365 1.00 0.42 C ATOM 288 O GLU A 33 0.590 -4.755 -0.913 1.00 0.51 O ATOM 289 CB GLU A 33 0.963 -3.956 -3.918 1.00 0.74 C ATOM 290 CG GLU A 33 0.260 -5.317 -3.975 1.00 1.40 C ATOM 291 CD GLU A 33 -0.563 -5.521 -5.238 1.00 1.81 C ATOM 292 OE1 GLU A 33 -1.737 -5.130 -5.268 1.00 2.23 O ATOM 293 OE2 GLU A 33 -0.030 -6.114 -6.221 1.00 2.45 O ATOM 0 H GLU A 33 2.523 -5.738 -2.529 1.00 0.53 H new ATOM 0 HA GLU A 33 2.372 -2.780 -2.807 1.00 0.52 H new ATOM 0 HB2 GLU A 33 0.206 -3.172 -3.916 1.00 0.74 H new ATOM 0 HB3 GLU A 33 1.552 -3.829 -4.827 1.00 0.74 H new ATOM 0 HG2 GLU A 33 1.008 -6.107 -3.906 1.00 1.40 H new ATOM 0 HG3 GLU A 33 -0.391 -5.418 -3.106 1.00 1.40 H new ATOM 300 N GLY A 34 1.054 -2.569 -0.742 1.00 0.40 N ATOM 301 CA GLY A 34 0.426 -2.430 0.562 1.00 0.43 C ATOM 302 C GLY A 34 0.442 -1.028 0.997 1.00 0.36 C ATOM 303 O GLY A 34 0.447 -0.108 0.158 1.00 0.45 O ATOM 0 H GLY A 34 1.436 -1.702 -1.119 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.602 -2.791 0.517 1.00 0.43 H new ATOM 0 HA3 GLY A 34 0.949 -3.049 1.291 1.00 0.43 H new ATOM 307 N ILE A 35 0.460 -0.822 2.284 1.00 0.35 N ATOM 308 CA ILE A 35 0.492 0.474 2.801 1.00 0.39 C ATOM 309 C ILE A 35 1.755 0.756 3.587 1.00 0.40 C ATOM 310 O ILE A 35 2.071 0.101 4.565 1.00 0.61 O ATOM 311 CB ILE A 35 -0.850 0.936 3.493 1.00 0.49 C ATOM 312 CG1 ILE A 35 -1.572 -0.197 4.247 1.00 0.69 C ATOM 313 CG2 ILE A 35 -1.783 1.538 2.460 1.00 0.79 C ATOM 314 CD1 ILE A 35 -0.770 -0.890 5.275 1.00 0.93 C ATOM 0 H ILE A 35 0.452 -1.562 2.986 1.00 0.35 H new ATOM 0 HA ILE A 35 0.549 1.136 1.937 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.573 1.682 4.238 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -2.461 0.216 4.723 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.913 -0.934 3.520 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.707 1.854 2.945 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.304 2.399 1.995 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -2.010 0.793 1.697 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -1.373 -1.668 5.744 1.00 0.93 H new ATOM 0 HD12 ILE A 35 0.106 -1.341 4.810 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -0.451 -0.173 6.032 1.00 0.93 H new ATOM 326 N LEU A 36 2.497 1.689 3.074 1.00 0.33 N ATOM 327 CA LEU A 36 3.770 2.126 3.634 1.00 0.40 C ATOM 328 C LEU A 36 3.511 2.703 5.030 1.00 0.41 C ATOM 329 O LEU A 36 2.577 3.515 5.205 1.00 0.44 O ATOM 330 CB LEU A 36 4.356 3.207 2.703 1.00 0.56 C ATOM 331 CG LEU A 36 5.884 3.414 2.683 1.00 0.78 C ATOM 332 CD1 LEU A 36 6.442 3.810 4.031 1.00 1.55 C ATOM 333 CD2 LEU A 36 6.570 2.173 2.146 1.00 1.72 C ATOM 0 H LEU A 36 2.238 2.193 2.226 1.00 0.33 H new ATOM 0 HA LEU A 36 4.475 1.299 3.716 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.040 2.975 1.686 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.896 4.159 2.970 1.00 0.56 H new ATOM 0 HG LEU A 36 6.089 4.251 2.016 1.00 0.78 H new ATOM 0 HD11 LEU A 36 7.521 3.941 3.954 1.00 1.55 H new ATOM 0 HD12 LEU A 36 5.985 4.745 4.353 1.00 1.55 H new ATOM 0 HD13 LEU A 36 6.223 3.029 4.759 1.00 1.55 H new ATOM 0 HD21 LEU A 36 7.649 2.329 2.136 1.00 1.72 H new ATOM 0 HD22 LEU A 36 6.333 1.321 2.784 1.00 1.72 H new ATOM 0 HD23 LEU A 36 6.222 1.975 1.132 1.00 1.72 H new ATOM 345 N TYR A 37 4.318 2.299 6.008 1.00 0.44 N ATOM 346 CA TYR A 37 4.098 2.735 7.373 1.00 0.50 C ATOM 347 C TYR A 37 4.937 3.968 7.728 1.00 0.52 C ATOM 348 O TYR A 37 4.393 4.982 8.160 1.00 0.64 O ATOM 349 CB TYR A 37 4.345 1.579 8.366 1.00 0.59 C ATOM 350 CG TYR A 37 4.028 1.919 9.812 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.714 2.027 10.256 1.00 0.77 C ATOM 352 CD2 TYR A 37 5.045 2.118 10.730 1.00 0.78 C ATOM 353 CE1 TYR A 37 2.428 2.327 11.574 1.00 0.91 C ATOM 354 CE2 TYR A 37 4.771 2.414 12.044 1.00 0.91 C ATOM 355 CZ TYR A 37 3.431 2.571 12.447 1.00 0.95 C ATOM 356 OH TYR A 37 3.191 2.811 13.785 1.00 1.11 O ATOM 0 H TYR A 37 5.118 1.679 5.878 1.00 0.44 H new ATOM 0 HA TYR A 37 3.053 3.033 7.454 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.742 0.722 8.066 1.00 0.59 H new ATOM 0 HB3 TYR A 37 5.389 1.273 8.297 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.904 1.874 9.559 1.00 0.77 H new ATOM 0 HD2 TYR A 37 6.073 2.039 10.408 1.00 0.78 H new ATOM 0 HE1 TYR A 37 1.402 2.367 11.907 1.00 0.91 H new ATOM 0 HE2 TYR A 37 5.573 2.525 12.758 1.00 0.91 H new ATOM 0 HH TYR A 37 4.041 2.963 14.248 1.00 1.11 H new ATOM 366 N THR A 38 6.258 3.889 7.566 1.00 0.49 N ATOM 367 CA THR A 38 7.145 5.005 7.916 1.00 0.56 C ATOM 368 C THR A 38 8.447 4.945 7.071 1.00 0.56 C ATOM 369 O THR A 38 8.824 3.879 6.587 1.00 0.52 O ATOM 370 CB THR A 38 7.492 4.958 9.447 1.00 0.66 C ATOM 371 OG1 THR A 38 6.286 5.000 10.211 1.00 0.82 O ATOM 372 CG2 THR A 38 8.355 6.135 9.863 1.00 0.94 C ATOM 0 H THR A 38 6.738 3.069 7.196 1.00 0.49 H new ATOM 0 HA THR A 38 6.631 5.941 7.699 1.00 0.56 H new ATOM 0 HB THR A 38 8.041 4.035 9.630 1.00 0.66 H new ATOM 0 HG1 THR A 38 5.957 4.088 10.353 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.574 6.067 10.929 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.288 6.119 9.299 1.00 0.94 H new ATOM 0 HG23 THR A 38 7.824 7.065 9.660 1.00 0.94 H new ATOM 380 N ILE A 39 9.084 6.087 6.863 1.00 0.72 N ATOM 381 CA ILE A 39 10.340 6.160 6.139 1.00 0.79 C ATOM 382 C ILE A 39 11.333 6.976 6.942 1.00 1.01 C ATOM 383 O ILE A 39 10.988 8.046 7.472 1.00 1.31 O ATOM 384 CB ILE A 39 10.177 6.859 4.752 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.212 6.099 3.854 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.531 7.035 4.054 1.00 1.13 C ATOM 387 CD1 ILE A 39 8.969 6.786 2.522 1.00 1.45 C ATOM 0 H ILE A 39 8.743 6.990 7.193 1.00 0.72 H new ATOM 0 HA ILE A 39 10.684 5.137 5.985 1.00 0.79 H new ATOM 0 HB ILE A 39 9.758 7.848 4.939 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.605 5.099 3.673 1.00 1.15 H new ATOM 0 HG13 ILE A 39 8.261 5.979 4.373 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.383 7.524 3.091 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.184 7.647 4.676 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.990 6.059 3.898 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.272 6.194 1.929 1.00 1.45 H new ATOM 0 HD12 ILE A 39 8.547 7.776 2.695 1.00 1.45 H new ATOM 0 HD13 ILE A 39 9.912 6.882 1.985 1.00 1.45 H new ATOM 399 N ASP A 40 12.533 6.477 7.059 1.00 0.96 N ATOM 400 CA ASP A 40 13.602 7.252 7.637 1.00 1.24 C ATOM 401 C ASP A 40 14.339 7.955 6.540 1.00 1.25 C ATOM 402 O ASP A 40 14.994 7.338 5.733 1.00 1.13 O ATOM 403 CB ASP A 40 14.562 6.413 8.465 1.00 1.31 C ATOM 404 CG ASP A 40 15.834 7.178 8.782 1.00 2.02 C ATOM 405 OD1 ASP A 40 15.745 8.255 9.419 1.00 2.48 O ATOM 406 OD2 ASP A 40 16.920 6.699 8.432 1.00 2.56 O ATOM 0 H ASP A 40 12.797 5.538 6.763 1.00 0.96 H new ATOM 0 HA ASP A 40 13.157 7.973 8.323 1.00 1.24 H new ATOM 0 HB2 ASP A 40 14.076 6.111 9.393 1.00 1.31 H new ATOM 0 HB3 ASP A 40 14.810 5.500 7.923 1.00 1.31 H new ATOM 411 N THR A 41 14.198 9.238 6.500 1.00 1.54 N ATOM 412 CA THR A 41 14.792 10.045 5.471 1.00 1.72 C ATOM 413 C THR A 41 16.345 10.188 5.654 1.00 1.69 C ATOM 414 O THR A 41 17.042 10.682 4.754 1.00 1.85 O ATOM 415 CB THR A 41 14.092 11.425 5.466 1.00 2.15 C ATOM 416 OG1 THR A 41 12.663 11.198 5.427 1.00 2.76 O ATOM 417 CG2 THR A 41 14.485 12.266 4.246 1.00 2.54 C ATOM 0 H THR A 41 13.662 9.768 7.187 1.00 1.54 H new ATOM 0 HA THR A 41 14.649 9.556 4.507 1.00 1.72 H new ATOM 0 HB THR A 41 14.396 11.970 6.360 1.00 2.15 H new ATOM 0 HG1 THR A 41 12.195 12.059 5.425 1.00 2.76 H new ATOM 0 HG21 THR A 41 13.970 13.226 4.284 1.00 2.54 H new ATOM 0 HG22 THR A 41 15.562 12.432 4.250 1.00 2.54 H new ATOM 0 HG23 THR A 41 14.203 11.739 3.335 1.00 2.54 H new ATOM 425 N GLU A 42 16.888 9.726 6.789 1.00 1.61 N ATOM 426 CA GLU A 42 18.333 9.813 6.992 1.00 1.64 C ATOM 427 C GLU A 42 19.066 8.690 6.246 1.00 1.37 C ATOM 428 O GLU A 42 19.940 8.937 5.415 1.00 1.56 O ATOM 429 CB GLU A 42 18.695 9.787 8.484 1.00 1.77 C ATOM 430 CG GLU A 42 20.197 9.876 8.733 1.00 2.30 C ATOM 431 CD GLU A 42 20.571 9.807 10.179 1.00 2.79 C ATOM 432 OE1 GLU A 42 20.576 10.863 10.858 1.00 3.21 O ATOM 433 OE2 GLU A 42 20.830 8.701 10.670 1.00 3.22 O ATOM 0 H GLU A 42 16.365 9.302 7.555 1.00 1.61 H new ATOM 0 HA GLU A 42 18.658 10.769 6.582 1.00 1.64 H new ATOM 0 HB2 GLU A 42 18.199 10.617 8.987 1.00 1.77 H new ATOM 0 HB3 GLU A 42 18.312 8.869 8.929 1.00 1.77 H new ATOM 0 HG2 GLU A 42 20.694 9.066 8.199 1.00 2.30 H new ATOM 0 HG3 GLU A 42 20.571 10.810 8.314 1.00 2.30 H new ATOM 440 N ASN A 43 18.689 7.473 6.541 1.00 1.11 N ATOM 441 CA ASN A 43 19.305 6.277 5.950 1.00 1.14 C ATOM 442 C ASN A 43 18.485 5.817 4.793 1.00 1.21 C ATOM 443 O ASN A 43 18.796 4.820 4.148 1.00 1.44 O ATOM 444 CB ASN A 43 19.430 5.173 7.020 1.00 1.24 C ATOM 445 CG ASN A 43 20.251 5.612 8.221 1.00 1.60 C ATOM 446 OD1 ASN A 43 21.464 5.411 8.263 1.00 2.01 O ATOM 447 ND2 ASN A 43 19.592 6.228 9.195 1.00 2.26 N ATOM 0 H ASN A 43 17.941 7.265 7.202 1.00 1.11 H new ATOM 0 HA ASN A 43 20.306 6.514 5.590 1.00 1.14 H new ATOM 0 HB2 ASN A 43 18.434 4.881 7.353 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.889 4.291 6.574 1.00 1.24 H new ATOM 0 HD21 ASN A 43 20.092 6.556 10.021 1.00 2.26 H new ATOM 0 HD22 ASN A 43 18.585 6.373 9.117 1.00 2.26 H new ATOM 454 N SER A 44 17.412 6.565 4.546 1.00 1.16 N ATOM 455 CA SER A 44 16.500 6.346 3.442 1.00 1.40 C ATOM 456 C SER A 44 15.753 5.018 3.594 1.00 1.17 C ATOM 457 O SER A 44 15.176 4.513 2.633 1.00 1.36 O ATOM 458 CB SER A 44 17.257 6.444 2.113 1.00 1.82 C ATOM 459 OG SER A 44 17.881 7.729 1.997 1.00 2.28 O ATOM 0 H SER A 44 17.152 7.361 5.129 1.00 1.16 H new ATOM 0 HA SER A 44 15.739 7.127 3.449 1.00 1.40 H new ATOM 0 HB2 SER A 44 18.010 5.658 2.056 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.570 6.288 1.281 1.00 1.82 H new ATOM 0 HG SER A 44 18.364 7.783 1.146 1.00 2.28 H new ATOM 465 N THR A 45 15.697 4.514 4.829 1.00 0.90 N ATOM 466 CA THR A 45 15.112 3.230 5.106 1.00 0.79 C ATOM 467 C THR A 45 13.597 3.269 5.000 1.00 0.71 C ATOM 468 O THR A 45 12.971 4.312 5.192 1.00 0.86 O ATOM 469 CB THR A 45 15.533 2.681 6.478 1.00 0.92 C ATOM 470 OG1 THR A 45 15.159 3.581 7.507 1.00 1.10 O ATOM 471 CG2 THR A 45 17.018 2.467 6.533 1.00 1.21 C ATOM 0 H THR A 45 16.059 4.994 5.653 1.00 0.90 H new ATOM 0 HA THR A 45 15.495 2.551 4.344 1.00 0.79 H new ATOM 0 HB THR A 45 15.026 1.727 6.624 1.00 0.92 H new ATOM 0 HG1 THR A 45 15.955 3.848 8.013 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.293 2.078 7.513 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.311 1.753 5.764 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.529 3.415 6.362 1.00 1.21 H new ATOM 479 N VAL A 46 13.022 2.138 4.721 1.00 0.55 N ATOM 480 CA VAL A 46 11.613 2.033 4.491 1.00 0.53 C ATOM 481 C VAL A 46 11.007 0.994 5.426 1.00 0.46 C ATOM 482 O VAL A 46 11.469 -0.163 5.477 1.00 0.56 O ATOM 483 CB VAL A 46 11.334 1.637 3.015 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.852 1.530 2.761 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.963 2.641 2.055 1.00 0.70 C ATOM 0 H VAL A 46 13.523 1.253 4.646 1.00 0.55 H new ATOM 0 HA VAL A 46 11.156 3.003 4.688 1.00 0.53 H new ATOM 0 HB VAL A 46 11.787 0.661 2.839 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.680 1.252 1.721 1.00 0.88 H new ATOM 0 HG12 VAL A 46 9.425 0.770 3.415 1.00 0.88 H new ATOM 0 HG13 VAL A 46 9.378 2.491 2.963 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.754 2.342 1.028 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.544 3.631 2.238 1.00 0.70 H new ATOM 0 HG23 VAL A 46 13.041 2.669 2.213 1.00 0.70 H new ATOM 495 N ALA A 47 10.009 1.404 6.169 1.00 0.46 N ATOM 496 CA ALA A 47 9.302 0.526 7.052 1.00 0.47 C ATOM 497 C ALA A 47 8.010 0.109 6.399 1.00 0.42 C ATOM 498 O ALA A 47 7.088 0.929 6.223 1.00 0.40 O ATOM 499 CB ALA A 47 9.038 1.205 8.390 1.00 0.51 C ATOM 0 H ALA A 47 9.666 2.365 6.174 1.00 0.46 H new ATOM 0 HA ALA A 47 9.909 -0.358 7.246 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.500 0.520 9.046 1.00 0.51 H new ATOM 0 HB2 ALA A 47 9.986 1.480 8.852 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.439 2.101 8.231 1.00 0.51 H new ATOM 505 N LEU A 48 7.943 -1.137 6.007 1.00 0.49 N ATOM 506 CA LEU A 48 6.796 -1.658 5.324 1.00 0.55 C ATOM 507 C LEU A 48 6.094 -2.686 6.212 1.00 0.55 C ATOM 508 O LEU A 48 6.726 -3.615 6.726 1.00 0.66 O ATOM 509 CB LEU A 48 7.242 -2.268 3.987 1.00 0.77 C ATOM 510 CG LEU A 48 6.144 -2.758 3.070 1.00 1.04 C ATOM 511 CD1 LEU A 48 5.220 -1.621 2.650 1.00 1.75 C ATOM 512 CD2 LEU A 48 6.719 -3.468 1.865 1.00 1.48 C ATOM 0 H LEU A 48 8.687 -1.818 6.155 1.00 0.49 H new ATOM 0 HA LEU A 48 6.083 -0.861 5.113 1.00 0.55 H new ATOM 0 HB2 LEU A 48 7.828 -1.522 3.450 1.00 0.77 H new ATOM 0 HB3 LEU A 48 7.908 -3.104 4.199 1.00 0.77 H new ATOM 0 HG LEU A 48 5.545 -3.477 3.628 1.00 1.04 H new ATOM 0 HD11 LEU A 48 4.443 -2.008 1.991 1.00 1.75 H new ATOM 0 HD12 LEU A 48 4.760 -1.180 3.535 1.00 1.75 H new ATOM 0 HD13 LEU A 48 5.796 -0.860 2.123 1.00 1.75 H new ATOM 0 HD21 LEU A 48 5.907 -3.810 1.223 1.00 1.48 H new ATOM 0 HD22 LEU A 48 7.358 -2.782 1.309 1.00 1.48 H new ATOM 0 HD23 LEU A 48 7.307 -4.325 2.194 1.00 1.48 H new ATOM 524 N ALA A 49 4.801 -2.532 6.388 1.00 0.54 N ATOM 525 CA ALA A 49 4.058 -3.362 7.282 1.00 0.59 C ATOM 526 C ALA A 49 2.618 -3.311 6.886 1.00 0.53 C ATOM 527 O ALA A 49 2.206 -2.364 6.243 1.00 0.69 O ATOM 528 CB ALA A 49 4.221 -2.864 8.711 1.00 0.76 C ATOM 0 H ALA A 49 4.243 -1.824 5.910 1.00 0.54 H new ATOM 0 HA ALA A 49 4.424 -4.387 7.230 1.00 0.59 H new ATOM 0 HB1 ALA A 49 3.651 -3.503 9.386 1.00 0.76 H new ATOM 0 HB2 ALA A 49 5.275 -2.892 8.988 1.00 0.76 H new ATOM 0 HB3 ALA A 49 3.854 -1.840 8.784 1.00 0.76 H new ATOM 534 N LYS A 50 1.865 -4.345 7.259 1.00 0.55 N ATOM 535 CA LYS A 50 0.414 -4.457 6.971 1.00 0.70 C ATOM 536 C LYS A 50 0.183 -4.438 5.475 1.00 0.60 C ATOM 537 O LYS A 50 -0.881 -4.050 4.992 1.00 0.74 O ATOM 538 CB LYS A 50 -0.372 -3.322 7.649 1.00 0.98 C ATOM 539 CG LYS A 50 -0.005 -3.119 9.098 1.00 1.44 C ATOM 540 CD LYS A 50 -0.804 -1.980 9.732 1.00 1.95 C ATOM 541 CE LYS A 50 -0.529 -1.839 11.246 1.00 2.92 C ATOM 542 NZ LYS A 50 0.897 -1.567 11.567 1.00 3.63 N ATOM 0 H LYS A 50 2.237 -5.142 7.775 1.00 0.55 H new ATOM 0 HA LYS A 50 0.054 -5.403 7.376 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -0.197 -2.394 7.105 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.438 -3.537 7.579 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -0.185 -4.041 9.651 1.00 1.44 H new ATOM 0 HG3 LYS A 50 1.061 -2.903 9.176 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -0.556 -1.044 9.232 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -1.868 -2.154 9.573 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -1.143 -1.032 11.645 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -0.838 -2.754 11.750 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 1.008 -1.467 12.596 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 1.485 -2.356 11.230 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 1.196 -0.688 11.100 1.00 3.63 H new ATOM 556 N VAL A 51 1.178 -4.939 4.753 1.00 0.64 N ATOM 557 CA VAL A 51 1.173 -4.929 3.315 1.00 0.54 C ATOM 558 C VAL A 51 0.065 -5.857 2.812 1.00 0.72 C ATOM 559 O VAL A 51 0.122 -7.077 3.016 1.00 1.07 O ATOM 560 CB VAL A 51 2.522 -5.513 2.820 1.00 0.78 C ATOM 561 CG1 VAL A 51 2.657 -5.475 1.315 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.684 -4.836 3.474 1.00 1.44 C ATOM 0 H VAL A 51 2.011 -5.364 5.161 1.00 0.64 H new ATOM 0 HA VAL A 51 1.020 -3.912 2.953 1.00 0.54 H new ATOM 0 HB VAL A 51 2.526 -6.563 3.114 1.00 0.78 H new ATOM 0 HG11 VAL A 51 3.620 -5.896 1.025 1.00 1.52 H new ATOM 0 HG12 VAL A 51 1.855 -6.059 0.863 1.00 1.52 H new ATOM 0 HG13 VAL A 51 2.594 -4.443 0.970 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.613 -5.270 3.104 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.663 -3.771 3.241 1.00 1.44 H new ATOM 0 HG23 VAL A 51 3.624 -4.973 4.554 1.00 1.44 H new ATOM 572 N ARG A 52 -0.928 -5.280 2.160 1.00 0.93 N ATOM 573 CA ARG A 52 -2.043 -6.029 1.649 1.00 1.36 C ATOM 574 C ARG A 52 -2.867 -5.109 0.740 1.00 1.77 C ATOM 575 O ARG A 52 -2.690 -3.886 0.788 1.00 2.15 O ATOM 576 CB ARG A 52 -2.849 -6.552 2.838 1.00 1.98 C ATOM 577 CG ARG A 52 -3.942 -7.537 2.509 1.00 2.57 C ATOM 578 CD ARG A 52 -4.472 -8.172 3.774 1.00 3.14 C ATOM 579 NE ARG A 52 -3.410 -8.904 4.504 1.00 3.81 N ATOM 580 CZ ARG A 52 -3.600 -9.724 5.545 1.00 4.54 C ATOM 581 NH1 ARG A 52 -4.828 -9.927 6.034 1.00 4.84 N ATOM 582 NH2 ARG A 52 -2.567 -10.348 6.097 1.00 5.32 N ATOM 0 H ARG A 52 -0.977 -4.278 1.974 1.00 0.93 H new ATOM 0 HA ARG A 52 -1.725 -6.886 1.054 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -2.161 -7.023 3.540 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -3.296 -5.701 3.352 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -4.750 -7.031 1.981 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -3.558 -8.307 1.840 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -4.893 -7.401 4.420 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -5.282 -8.858 3.526 1.00 3.14 H new ATOM 0 HE ARG A 52 -2.450 -8.771 4.185 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -5.629 -9.455 5.614 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -4.964 -10.553 6.827 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -1.627 -10.203 5.728 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -2.713 -10.973 6.890 1.00 5.32 H new ATOM 920 N TYR A 74 5.195 -8.194 7.378 1.00 2.52 N ATOM 921 CA TYR A 74 5.927 -6.935 7.532 1.00 1.62 C ATOM 922 C TYR A 74 7.444 -7.130 7.476 1.00 1.55 C ATOM 923 O TYR A 74 7.968 -8.155 7.936 1.00 2.04 O ATOM 924 CB TYR A 74 5.525 -6.201 8.816 1.00 1.64 C ATOM 925 CG TYR A 74 5.966 -6.853 10.094 1.00 2.33 C ATOM 926 CD1 TYR A 74 5.316 -7.974 10.563 1.00 2.84 C ATOM 927 CD2 TYR A 74 7.014 -6.354 10.820 1.00 3.09 C ATOM 928 CE1 TYR A 74 5.714 -8.598 11.721 1.00 3.84 C ATOM 929 CE2 TYR A 74 7.430 -6.963 11.995 1.00 4.10 C ATOM 930 CZ TYR A 74 6.792 -8.024 12.463 1.00 4.41 C ATOM 931 OH TYR A 74 7.159 -8.708 13.600 1.00 5.54 O ATOM 0 HA TYR A 74 5.647 -6.314 6.681 1.00 1.62 H new ATOM 0 HB2 TYR A 74 5.936 -5.192 8.782 1.00 1.64 H new ATOM 0 HB3 TYR A 74 4.440 -6.102 8.834 1.00 1.64 H new ATOM 0 HD1 TYR A 74 4.477 -8.370 10.010 1.00 2.84 H new ATOM 0 HD2 TYR A 74 7.527 -5.470 10.471 1.00 3.09 H new ATOM 0 HE1 TYR A 74 5.225 -9.499 12.061 1.00 3.84 H new ATOM 0 HE2 TYR A 74 8.280 -6.569 12.532 1.00 4.10 H new ATOM 0 HH TYR A 74 7.902 -8.241 14.037 1.00 5.54 H new ATOM 941 N ILE A 75 8.139 -6.143 6.934 1.00 1.22 N ATOM 942 CA ILE A 75 9.575 -6.204 6.777 1.00 1.39 C ATOM 943 C ILE A 75 10.165 -4.787 6.652 1.00 0.98 C ATOM 944 O ILE A 75 9.569 -3.905 6.028 1.00 1.15 O ATOM 945 CB ILE A 75 9.972 -7.088 5.543 1.00 2.16 C ATOM 946 CG1 ILE A 75 11.505 -7.143 5.360 1.00 2.78 C ATOM 947 CG2 ILE A 75 9.271 -6.621 4.261 1.00 2.77 C ATOM 948 CD1 ILE A 75 11.971 -8.012 4.207 1.00 3.80 C ATOM 0 H ILE A 75 7.719 -5.279 6.592 1.00 1.22 H new ATOM 0 HA ILE A 75 9.994 -6.672 7.668 1.00 1.39 H new ATOM 0 HB ILE A 75 9.628 -8.102 5.747 1.00 2.16 H new ATOM 0 HG12 ILE A 75 11.876 -6.130 5.208 1.00 2.78 H new ATOM 0 HG13 ILE A 75 11.955 -7.512 6.282 1.00 2.78 H new ATOM 0 HG21 ILE A 75 9.572 -7.258 3.429 1.00 2.77 H new ATOM 0 HG22 ILE A 75 8.191 -6.683 4.394 1.00 2.77 H new ATOM 0 HG23 ILE A 75 9.552 -5.590 4.048 1.00 2.77 H new ATOM 0 HD11 ILE A 75 13.059 -7.992 4.153 1.00 3.80 H new ATOM 0 HD12 ILE A 75 11.634 -9.037 4.364 1.00 3.80 H new ATOM 0 HD13 ILE A 75 11.554 -7.633 3.274 1.00 3.80 H new ATOM 960 N ILE A 76 11.312 -4.576 7.271 1.00 0.97 N ATOM 961 CA ILE A 76 11.979 -3.289 7.262 1.00 0.87 C ATOM 962 C ILE A 76 13.137 -3.354 6.265 1.00 0.78 C ATOM 963 O ILE A 76 13.873 -4.337 6.234 1.00 1.17 O ATOM 964 CB ILE A 76 12.539 -2.944 8.680 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.421 -3.009 9.744 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.220 -1.570 8.701 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.255 -2.077 9.496 1.00 2.42 C ATOM 0 H ILE A 76 11.808 -5.296 7.796 1.00 0.97 H new ATOM 0 HA ILE A 76 11.265 -2.516 6.977 1.00 0.87 H new ATOM 0 HB ILE A 76 13.293 -3.693 8.922 1.00 1.64 H new ATOM 0 HG12 ILE A 76 11.046 -4.031 9.795 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.852 -2.778 10.718 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.596 -1.366 9.703 1.00 1.87 H new ATOM 0 HG22 ILE A 76 14.049 -1.564 7.994 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.499 -0.802 8.421 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.521 -2.192 10.293 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.610 -1.047 9.476 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.793 -2.319 8.539 1.00 2.42 H new ATOM 979 N PHE A 77 13.289 -2.332 5.447 1.00 0.64 N ATOM 980 CA PHE A 77 14.337 -2.319 4.446 1.00 0.75 C ATOM 981 C PHE A 77 15.390 -1.309 4.831 1.00 0.68 C ATOM 982 O PHE A 77 15.074 -0.299 5.451 1.00 0.65 O ATOM 983 CB PHE A 77 13.770 -1.975 3.062 1.00 1.02 C ATOM 984 CG PHE A 77 12.761 -2.967 2.552 1.00 1.18 C ATOM 985 CD1 PHE A 77 13.163 -4.085 1.837 1.00 1.44 C ATOM 986 CD2 PHE A 77 11.411 -2.779 2.789 1.00 1.69 C ATOM 987 CE1 PHE A 77 12.236 -4.992 1.372 1.00 1.87 C ATOM 988 CE2 PHE A 77 10.480 -3.689 2.321 1.00 2.31 C ATOM 989 CZ PHE A 77 10.907 -4.807 1.607 1.00 2.30 C ATOM 0 H PHE A 77 12.700 -1.499 5.456 1.00 0.64 H new ATOM 0 HA PHE A 77 14.781 -3.313 4.397 1.00 0.75 H new ATOM 0 HB2 PHE A 77 13.306 -0.990 3.105 1.00 1.02 H new ATOM 0 HB3 PHE A 77 14.592 -1.909 2.350 1.00 1.02 H new ATOM 0 HD1 PHE A 77 14.213 -4.246 1.643 1.00 1.44 H new ATOM 0 HD2 PHE A 77 11.081 -1.914 3.345 1.00 1.69 H new ATOM 0 HE1 PHE A 77 12.566 -5.857 0.816 1.00 1.87 H new ATOM 0 HE2 PHE A 77 9.428 -3.534 2.508 1.00 2.31 H new ATOM 0 HZ PHE A 77 10.187 -5.524 1.241 1.00 2.30 H new ATOM 999 N ARG A 78 16.629 -1.542 4.431 1.00 0.76 N ATOM 1000 CA ARG A 78 17.713 -0.621 4.779 1.00 0.80 C ATOM 1001 C ARG A 78 17.749 0.585 3.832 1.00 0.71 C ATOM 1002 O ARG A 78 18.699 1.371 3.840 1.00 1.01 O ATOM 1003 CB ARG A 78 19.097 -1.312 4.814 1.00 1.04 C ATOM 1004 CG ARG A 78 19.324 -2.337 5.940 1.00 1.36 C ATOM 1005 CD ARG A 78 18.403 -3.554 5.870 1.00 1.38 C ATOM 1006 NE ARG A 78 18.571 -4.313 4.630 1.00 2.06 N ATOM 1007 CZ ARG A 78 18.464 -5.649 4.524 1.00 2.69 C ATOM 1008 NH1 ARG A 78 18.157 -6.392 5.598 1.00 3.02 N ATOM 1009 NH2 ARG A 78 18.632 -6.231 3.349 1.00 3.45 N ATOM 0 H ARG A 78 16.913 -2.347 3.873 1.00 0.76 H new ATOM 0 HA ARG A 78 17.498 -0.270 5.788 1.00 0.80 H new ATOM 0 HB2 ARG A 78 19.252 -1.814 3.859 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.862 -0.540 4.896 1.00 1.04 H new ATOM 0 HG2 ARG A 78 20.359 -2.676 5.905 1.00 1.36 H new ATOM 0 HG3 ARG A 78 19.183 -1.842 6.901 1.00 1.36 H new ATOM 0 HD2 ARG A 78 18.602 -4.206 6.721 1.00 1.38 H new ATOM 0 HD3 ARG A 78 17.367 -3.227 5.954 1.00 1.38 H new ATOM 0 HE ARG A 78 18.786 -3.789 3.782 1.00 2.06 H new ATOM 0 HH11 ARG A 78 18.003 -5.944 6.501 1.00 3.02 H new ATOM 0 HH12 ARG A 78 18.077 -7.405 5.511 1.00 3.02 H new ATOM 0 HH21 ARG A 78 18.842 -5.667 2.526 1.00 3.45 H new ATOM 0 HH22 ARG A 78 18.551 -7.244 3.266 1.00 3.45 H new ATOM 1023 N GLY A 79 16.703 0.722 3.018 1.00 0.66 N ATOM 1024 CA GLY A 79 16.567 1.867 2.142 1.00 0.72 C ATOM 1025 C GLY A 79 17.304 1.675 0.885 1.00 0.64 C ATOM 1026 O GLY A 79 16.725 1.649 -0.180 1.00 0.76 O ATOM 0 H GLY A 79 15.940 0.048 2.953 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.512 2.036 1.924 1.00 0.72 H new ATOM 0 HA3 GLY A 79 16.935 2.759 2.648 1.00 0.72 H new ATOM 1030 N SER A 80 18.594 1.515 1.010 1.00 0.62 N ATOM 1031 CA SER A 80 19.465 1.253 -0.143 1.00 0.79 C ATOM 1032 C SER A 80 19.088 -0.112 -0.848 1.00 0.77 C ATOM 1033 O SER A 80 19.525 -0.393 -1.963 1.00 1.04 O ATOM 1034 CB SER A 80 20.943 1.271 0.321 1.00 0.94 C ATOM 1035 OG SER A 80 21.860 1.188 -0.764 1.00 1.64 O ATOM 0 H SER A 80 19.085 1.559 1.903 1.00 0.62 H new ATOM 0 HA SER A 80 19.322 2.037 -0.887 1.00 0.79 H new ATOM 0 HB2 SER A 80 21.132 2.186 0.882 1.00 0.94 H new ATOM 0 HB3 SER A 80 21.116 0.438 1.002 1.00 0.94 H new ATOM 0 HG SER A 80 22.777 1.205 -0.419 1.00 1.64 H new ATOM 1041 N ASP A 81 18.250 -0.920 -0.180 1.00 0.61 N ATOM 1042 CA ASP A 81 17.791 -2.223 -0.701 1.00 0.76 C ATOM 1043 C ASP A 81 16.627 -2.080 -1.660 1.00 0.58 C ATOM 1044 O ASP A 81 16.104 -3.096 -2.157 1.00 0.63 O ATOM 1045 CB ASP A 81 17.311 -3.145 0.438 1.00 0.99 C ATOM 1046 CG ASP A 81 18.363 -3.564 1.404 1.00 1.58 C ATOM 1047 OD1 ASP A 81 18.567 -2.844 2.392 1.00 1.92 O ATOM 1048 OD2 ASP A 81 18.959 -4.644 1.223 1.00 2.00 O ATOM 0 H ASP A 81 17.869 -0.691 0.738 1.00 0.61 H new ATOM 0 HA ASP A 81 18.653 -2.648 -1.215 1.00 0.76 H new ATOM 0 HB2 ASP A 81 16.519 -2.635 0.987 1.00 0.99 H new ATOM 0 HB3 ASP A 81 16.869 -4.039 -0.002 1.00 0.99 H new ATOM 1053 N ILE A 82 16.173 -0.870 -1.898 1.00 0.49 N ATOM 1054 CA ILE A 82 15.029 -0.703 -2.778 1.00 0.42 C ATOM 1055 C ILE A 82 15.409 -0.782 -4.263 1.00 0.38 C ATOM 1056 O ILE A 82 16.478 -0.333 -4.666 1.00 0.47 O ATOM 1057 CB ILE A 82 14.136 0.558 -2.439 1.00 0.49 C ATOM 1058 CG1 ILE A 82 14.874 1.926 -2.588 1.00 0.96 C ATOM 1059 CG2 ILE A 82 13.579 0.434 -1.020 1.00 0.89 C ATOM 1060 CD1 ILE A 82 15.168 2.392 -4.007 1.00 1.70 C ATOM 0 H ILE A 82 16.560 -0.010 -1.511 1.00 0.49 H new ATOM 0 HA ILE A 82 14.388 -1.562 -2.577 1.00 0.42 H new ATOM 0 HB ILE A 82 13.333 0.561 -3.176 1.00 0.49 H new ATOM 0 HG12 ILE A 82 14.275 2.692 -2.096 1.00 0.96 H new ATOM 0 HG13 ILE A 82 15.818 1.864 -2.047 1.00 0.96 H new ATOM 0 HG21 ILE A 82 12.965 1.305 -0.793 1.00 0.89 H new ATOM 0 HG22 ILE A 82 12.971 -0.468 -0.945 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.403 0.376 -0.309 1.00 0.89 H new ATOM 0 HD11 ILE A 82 15.682 3.353 -3.975 1.00 1.70 H new ATOM 0 HD12 ILE A 82 15.800 1.658 -4.507 1.00 1.70 H new ATOM 0 HD13 ILE A 82 14.232 2.499 -4.556 1.00 1.70 H new ATOM 1072 N LYS A 83 14.561 -1.421 -5.052 1.00 0.34 N ATOM 1073 CA LYS A 83 14.732 -1.455 -6.481 1.00 0.36 C ATOM 1074 C LYS A 83 13.893 -0.358 -7.104 1.00 0.38 C ATOM 1075 O LYS A 83 14.404 0.510 -7.812 1.00 0.58 O ATOM 1076 CB LYS A 83 14.317 -2.806 -7.038 1.00 0.50 C ATOM 1077 CG LYS A 83 14.487 -2.919 -8.546 1.00 0.86 C ATOM 1078 CD LYS A 83 15.954 -2.792 -8.993 1.00 0.97 C ATOM 1079 CE LYS A 83 16.789 -3.987 -8.554 1.00 1.01 C ATOM 1080 NZ LYS A 83 16.367 -5.241 -9.224 1.00 1.59 N ATOM 0 H LYS A 83 13.741 -1.926 -4.715 1.00 0.34 H new ATOM 0 HA LYS A 83 15.784 -1.297 -6.720 1.00 0.36 H new ATOM 0 HB2 LYS A 83 14.906 -3.586 -6.555 1.00 0.50 H new ATOM 0 HB3 LYS A 83 13.273 -2.990 -6.783 1.00 0.50 H new ATOM 0 HG2 LYS A 83 14.092 -3.878 -8.880 1.00 0.86 H new ATOM 0 HG3 LYS A 83 13.895 -2.144 -9.033 1.00 0.86 H new ATOM 0 HD2 LYS A 83 15.996 -2.700 -10.078 1.00 0.97 H new ATOM 0 HD3 LYS A 83 16.382 -1.879 -8.579 1.00 0.97 H new ATOM 0 HE2 LYS A 83 17.839 -3.795 -8.774 1.00 1.01 H new ATOM 0 HE3 LYS A 83 16.707 -4.109 -7.474 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 17.044 -5.998 -9.001 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 15.421 -5.512 -8.888 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 16.340 -5.093 -10.253 1.00 1.59 H new ATOM 1094 N ASP A 84 12.610 -0.396 -6.807 1.00 0.34 N ATOM 1095 CA ASP A 84 11.664 0.602 -7.290 1.00 0.44 C ATOM 1096 C ASP A 84 10.761 1.000 -6.153 1.00 0.48 C ATOM 1097 O ASP A 84 10.345 0.145 -5.350 1.00 0.78 O ATOM 1098 CB ASP A 84 10.814 0.076 -8.460 1.00 0.77 C ATOM 1099 CG ASP A 84 9.860 1.139 -9.014 1.00 1.37 C ATOM 1100 OD1 ASP A 84 10.255 1.906 -9.915 1.00 1.49 O ATOM 1101 OD2 ASP A 84 8.709 1.209 -8.555 1.00 2.22 O ATOM 0 H ASP A 84 12.189 -1.119 -6.224 1.00 0.34 H new ATOM 0 HA ASP A 84 12.229 1.459 -7.657 1.00 0.44 H new ATOM 0 HB2 ASP A 84 11.472 -0.268 -9.258 1.00 0.77 H new ATOM 0 HB3 ASP A 84 10.238 -0.787 -8.127 1.00 0.77 H new ATOM 1106 N LEU A 85 10.482 2.274 -6.068 1.00 0.48 N ATOM 1107 CA LEU A 85 9.651 2.827 -5.034 1.00 0.72 C ATOM 1108 C LEU A 85 8.698 3.818 -5.698 1.00 0.61 C ATOM 1109 O LEU A 85 9.089 4.944 -6.007 1.00 0.86 O ATOM 1110 CB LEU A 85 10.559 3.561 -4.009 1.00 1.47 C ATOM 1111 CG LEU A 85 9.898 4.117 -2.736 1.00 2.12 C ATOM 1112 CD1 LEU A 85 9.396 2.987 -1.851 1.00 2.79 C ATOM 1113 CD2 LEU A 85 10.873 4.995 -1.963 1.00 2.86 C ATOM 0 H LEU A 85 10.833 2.968 -6.728 1.00 0.48 H new ATOM 0 HA LEU A 85 9.086 2.053 -4.515 1.00 0.72 H new ATOM 0 HB2 LEU A 85 11.346 2.871 -3.704 1.00 1.47 H new ATOM 0 HB3 LEU A 85 11.044 4.390 -4.524 1.00 1.47 H new ATOM 0 HG LEU A 85 9.046 4.725 -3.038 1.00 2.12 H new ATOM 0 HD11 LEU A 85 8.932 3.404 -0.957 1.00 2.79 H new ATOM 0 HD12 LEU A 85 8.662 2.395 -2.398 1.00 2.79 H new ATOM 0 HD13 LEU A 85 10.233 2.351 -1.563 1.00 2.79 H new ATOM 0 HD21 LEU A 85 10.386 5.378 -1.066 1.00 2.86 H new ATOM 0 HD22 LEU A 85 11.745 4.407 -1.679 1.00 2.86 H new ATOM 0 HD23 LEU A 85 11.187 5.830 -2.590 1.00 2.86 H new ATOM 1125 N THR A 86 7.476 3.405 -5.951 1.00 0.61 N ATOM 1126 CA THR A 86 6.537 4.259 -6.649 1.00 0.83 C ATOM 1127 C THR A 86 5.170 4.296 -5.929 1.00 0.83 C ATOM 1128 O THR A 86 4.434 3.291 -5.894 1.00 0.91 O ATOM 1129 CB THR A 86 6.359 3.787 -8.124 1.00 1.18 C ATOM 1130 OG1 THR A 86 7.655 3.728 -8.777 1.00 1.88 O ATOM 1131 CG2 THR A 86 5.463 4.753 -8.894 1.00 1.64 C ATOM 0 H THR A 86 7.110 2.490 -5.687 1.00 0.61 H new ATOM 0 HA THR A 86 6.945 5.270 -6.651 1.00 0.83 H new ATOM 0 HB THR A 86 5.897 2.800 -8.115 1.00 1.18 H new ATOM 0 HG1 THR A 86 7.988 2.806 -8.761 1.00 1.88 H new ATOM 0 HG21 THR A 86 5.351 4.406 -9.921 1.00 1.64 H new ATOM 0 HG22 THR A 86 4.483 4.799 -8.418 1.00 1.64 H new ATOM 0 HG23 THR A 86 5.913 5.746 -8.894 1.00 1.64 H new ATOM 1139 N VAL A 87 4.856 5.452 -5.343 1.00 1.10 N ATOM 1140 CA VAL A 87 3.604 5.674 -4.620 1.00 1.29 C ATOM 1141 C VAL A 87 2.476 5.982 -5.610 1.00 1.44 C ATOM 1142 O VAL A 87 2.669 6.751 -6.569 1.00 1.74 O ATOM 1143 CB VAL A 87 3.751 6.845 -3.568 1.00 1.88 C ATOM 1144 CG1 VAL A 87 4.155 8.159 -4.230 1.00 2.70 C ATOM 1145 CG2 VAL A 87 2.480 7.026 -2.738 1.00 2.21 C ATOM 0 H VAL A 87 5.469 6.267 -5.357 1.00 1.10 H new ATOM 0 HA VAL A 87 3.359 4.764 -4.073 1.00 1.29 H new ATOM 0 HB VAL A 87 4.554 6.554 -2.891 1.00 1.88 H new ATOM 0 HG11 VAL A 87 4.245 8.936 -3.471 1.00 2.70 H new ATOM 0 HG12 VAL A 87 5.113 8.033 -4.735 1.00 2.70 H new ATOM 0 HG13 VAL A 87 3.397 8.448 -4.958 1.00 2.70 H new ATOM 0 HG21 VAL A 87 2.622 7.840 -2.027 1.00 2.21 H new ATOM 0 HG22 VAL A 87 1.645 7.262 -3.398 1.00 2.21 H new ATOM 0 HG23 VAL A 87 2.265 6.105 -2.196 1.00 2.21 H new