USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 31 HIS : no HE2:sc= -0.626 X(o=-0.63,f=-0.8) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 132:sc= 0.238 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 155:sc=-0.00485 (180deg=-0.548) USER MOD Single : A 32 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.9!) USER MOD Single : A 39 MET CE :methyl -149:sc= -0.0932 (180deg=-1.82) USER MOD Single : A 43 ASN : amide:sc= 0.424 K(o=0.42,f=-2.6!) USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.353 USER MOD Single : A 49 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -8.734 -5.570 -7.476 1.00 0.00 N ATOM 33 CA ARG A 3 -7.715 -6.054 -6.563 1.00 0.00 C ATOM 34 C ARG A 3 -7.414 -4.894 -5.631 1.00 0.00 C ATOM 35 O ARG A 3 -7.137 -3.774 -6.074 1.00 0.00 O ATOM 36 CB ARG A 3 -6.488 -6.515 -7.366 1.00 0.00 C ATOM 37 CG ARG A 3 -5.730 -7.721 -6.787 1.00 0.00 C ATOM 38 CD ARG A 3 -5.158 -7.600 -5.357 1.00 0.00 C ATOM 39 NE ARG A 3 -5.916 -8.358 -4.343 1.00 0.00 N ATOM 40 CZ ARG A 3 -5.903 -9.690 -4.189 1.00 0.00 C ATOM 41 NH1 ARG A 3 -5.214 -10.472 -5.017 1.00 0.00 N ATOM 42 NH2 ARG A 3 -6.583 -10.237 -3.186 1.00 0.00 N ATOM 0 HA ARG A 3 -8.034 -6.918 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.810 -6.763 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.795 -5.678 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.403 -8.579 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.903 -7.950 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.125 -7.948 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.140 -6.548 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.501 -7.822 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.684 -10.060 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.216 -11.483 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.108 -9.644 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.580 -11.249 -3.060 1.00 0.00 H new ATOM 56 N ARG A 4 -7.471 -5.156 -4.334 1.00 0.00 N ATOM 57 CA ARG A 4 -7.021 -4.254 -3.281 1.00 0.00 C ATOM 58 C ARG A 4 -6.198 -5.077 -2.293 1.00 0.00 C ATOM 59 O ARG A 4 -6.277 -6.310 -2.338 1.00 0.00 O ATOM 60 CB ARG A 4 -8.236 -3.595 -2.601 1.00 0.00 C ATOM 61 CG ARG A 4 -9.180 -2.833 -3.558 1.00 0.00 C ATOM 62 CD ARG A 4 -10.107 -1.906 -2.757 1.00 0.00 C ATOM 63 NE ARG A 4 -11.469 -1.784 -3.316 1.00 0.00 N ATOM 64 CZ ARG A 4 -12.580 -1.742 -2.567 1.00 0.00 C ATOM 65 NH1 ARG A 4 -12.459 -1.523 -1.263 1.00 0.00 N ATOM 66 NH2 ARG A 4 -13.783 -1.909 -3.113 1.00 0.00 N ATOM 0 H ARG A 4 -7.845 -6.033 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.406 -3.450 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.809 -4.366 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.877 -2.902 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.596 -2.250 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.773 -3.541 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.178 -2.276 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.656 -0.915 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.570 -1.729 -4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.535 -1.391 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.290 -1.487 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.870 -2.072 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.618 -1.874 -2.528 1.00 0.00 H new ATOM 80 N VAL A 5 -5.465 -4.423 -1.395 1.00 0.00 N ATOM 81 CA VAL A 5 -4.734 -5.062 -0.301 1.00 0.00 C ATOM 82 C VAL A 5 -4.979 -4.264 0.986 1.00 0.00 C ATOM 83 O VAL A 5 -5.308 -3.073 0.943 1.00 0.00 O ATOM 84 CB VAL A 5 -3.238 -5.237 -0.645 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.035 -6.375 -1.654 1.00 0.00 C ATOM 86 CG2 VAL A 5 -2.573 -3.959 -1.174 1.00 0.00 C ATOM 0 H VAL A 5 -5.360 -3.409 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.105 -6.075 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.751 -5.484 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.973 -6.477 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.407 -7.308 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.580 -6.150 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.524 -4.159 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.079 -3.635 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.643 -3.174 -0.421 1.00 0.00 H new ATOM 96 N ARG A 6 -4.854 -4.909 2.150 1.00 0.00 N ATOM 97 CA ARG A 6 -5.000 -4.264 3.467 1.00 0.00 C ATOM 98 C ARG A 6 -3.677 -4.428 4.192 1.00 0.00 C ATOM 99 O ARG A 6 -3.133 -5.524 4.152 1.00 0.00 O ATOM 100 CB ARG A 6 -6.186 -4.889 4.231 1.00 0.00 C ATOM 101 CG ARG A 6 -6.326 -4.435 5.694 1.00 0.00 C ATOM 102 CD ARG A 6 -7.740 -4.697 6.247 1.00 0.00 C ATOM 103 NE ARG A 6 -8.633 -3.525 6.118 1.00 0.00 N ATOM 104 CZ ARG A 6 -8.657 -2.457 6.933 1.00 0.00 C ATOM 105 NH1 ARG A 6 -7.992 -2.444 8.084 1.00 0.00 N ATOM 106 NH2 ARG A 6 -9.359 -1.378 6.623 1.00 0.00 N ATOM 0 H ARG A 6 -4.646 -5.906 2.209 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.226 -3.201 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.108 -4.648 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.081 -5.974 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.594 -4.959 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.100 -3.371 5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.180 -5.543 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.668 -4.979 7.297 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.291 -3.528 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.446 -3.258 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.027 -1.620 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.893 -1.349 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.366 -0.576 7.253 1.00 0.00 H new ATOM 120 N ALA A 7 -3.131 -3.377 4.811 1.00 0.00 N ATOM 121 CA ALA A 7 -1.918 -3.548 5.606 1.00 0.00 C ATOM 122 C ALA A 7 -2.285 -4.005 7.012 1.00 0.00 C ATOM 123 O ALA A 7 -3.389 -3.760 7.511 1.00 0.00 O ATOM 124 CB ALA A 7 -0.979 -2.331 5.569 1.00 0.00 C ATOM 0 H ALA A 7 -3.499 -2.426 4.778 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.321 -4.336 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.100 -2.531 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.669 -2.141 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.501 -1.457 5.958 1.00 0.00 H new ATOM 130 N ILE A 8 -1.331 -4.684 7.643 1.00 0.00 N ATOM 131 CA ILE A 8 -1.476 -5.271 8.968 1.00 0.00 C ATOM 132 C ILE A 8 -0.266 -4.945 9.855 1.00 0.00 C ATOM 133 O ILE A 8 -0.140 -5.520 10.935 1.00 0.00 O ATOM 134 CB ILE A 8 -1.821 -6.783 8.890 1.00 0.00 C ATOM 135 CG1 ILE A 8 -0.684 -7.698 8.382 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.129 -7.017 8.107 1.00 0.00 C ATOM 137 CD1 ILE A 8 -0.626 -7.901 6.866 1.00 0.00 C ATOM 0 H ILE A 8 -0.411 -4.844 7.234 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.332 -4.810 9.460 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.966 -7.086 9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.268 -7.282 8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.787 -8.673 8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.344 -8.085 8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.949 -6.499 8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.020 -6.633 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.207 -8.559 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.558 -8.351 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.486 -6.938 6.375 1.00 0.00 H new ATOM 149 N LEU A 9 0.608 -4.021 9.437 1.00 0.00 N ATOM 150 CA LEU A 9 1.742 -3.463 10.183 1.00 0.00 C ATOM 151 C LEU A 9 1.943 -2.011 9.719 1.00 0.00 C ATOM 152 O LEU A 9 1.409 -1.636 8.676 1.00 0.00 O ATOM 153 CB LEU A 9 3.004 -4.308 9.914 1.00 0.00 C ATOM 154 CG LEU A 9 3.166 -5.504 10.882 1.00 0.00 C ATOM 155 CD1 LEU A 9 3.416 -6.806 10.121 1.00 0.00 C ATOM 156 CD2 LEU A 9 4.306 -5.284 11.879 1.00 0.00 C ATOM 0 H LEU A 9 0.536 -3.616 8.504 1.00 0.00 H new ATOM 0 HA LEU A 9 1.550 -3.481 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.970 -4.682 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.883 -3.668 9.990 1.00 0.00 H new ATOM 0 HG LEU A 9 2.228 -5.580 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.525 -7.627 10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.574 -7.008 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.327 -6.713 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.384 -6.148 12.539 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.243 -5.155 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.104 -4.392 12.472 1.00 0.00 H new ATOM 168 N PRO A 10 2.656 -1.172 10.489 1.00 0.00 N ATOM 169 CA PRO A 10 2.975 0.203 10.117 1.00 0.00 C ATOM 170 C PRO A 10 4.258 0.279 9.271 1.00 0.00 C ATOM 171 O PRO A 10 5.080 -0.644 9.287 1.00 0.00 O ATOM 172 CB PRO A 10 3.147 0.912 11.464 1.00 0.00 C ATOM 173 CG PRO A 10 3.769 -0.174 12.347 1.00 0.00 C ATOM 174 CD PRO A 10 3.147 -1.463 11.827 1.00 0.00 C ATOM 0 HA PRO A 10 2.203 0.659 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.795 1.785 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.194 1.259 11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.855 -0.189 12.258 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.538 -0.015 13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.882 -2.267 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.335 -1.792 12.476 1.00 0.00 H new ATOM 182 N TYR A 11 4.460 1.401 8.570 1.00 0.00 N ATOM 183 CA TYR A 11 5.626 1.661 7.735 1.00 0.00 C ATOM 184 C TYR A 11 5.800 3.167 7.505 1.00 0.00 C ATOM 185 O TYR A 11 4.838 3.851 7.142 1.00 0.00 O ATOM 186 CB TYR A 11 5.435 0.950 6.392 1.00 0.00 C ATOM 187 CG TYR A 11 6.700 0.824 5.573 1.00 0.00 C ATOM 188 CD1 TYR A 11 7.577 -0.247 5.818 1.00 0.00 C ATOM 189 CD2 TYR A 11 6.982 1.741 4.546 1.00 0.00 C ATOM 190 CE1 TYR A 11 8.712 -0.435 5.015 1.00 0.00 C ATOM 191 CE2 TYR A 11 8.117 1.561 3.737 1.00 0.00 C ATOM 192 CZ TYR A 11 8.980 0.464 3.961 1.00 0.00 C ATOM 193 OH TYR A 11 10.047 0.241 3.153 1.00 0.00 O ATOM 0 H TYR A 11 3.793 2.173 8.572 1.00 0.00 H new ATOM 0 HA TYR A 11 6.519 1.287 8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.033 -0.047 6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.690 1.492 5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.376 -0.930 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.327 2.583 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.378 -1.264 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.330 2.262 2.943 1.00 0.00 H new ATOM 0 HH TYR A 11 9.769 0.317 2.216 1.00 0.00 H new ATOM 203 N THR A 12 7.013 3.699 7.687 1.00 0.00 N ATOM 204 CA THR A 12 7.325 5.086 7.345 1.00 0.00 C ATOM 205 C THR A 12 7.976 5.102 5.960 1.00 0.00 C ATOM 206 O THR A 12 8.798 4.241 5.640 1.00 0.00 O ATOM 207 CB THR A 12 8.142 5.748 8.468 1.00 0.00 C ATOM 208 OG1 THR A 12 7.987 7.156 8.451 1.00 0.00 O ATOM 209 CG2 THR A 12 9.628 5.421 8.411 1.00 0.00 C ATOM 0 H THR A 12 7.802 3.181 8.074 1.00 0.00 H new ATOM 0 HA THR A 12 6.427 5.700 7.274 1.00 0.00 H new ATOM 0 HB THR A 12 7.743 5.334 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.515 7.552 9.175 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.142 5.921 9.232 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.767 4.343 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.040 5.764 7.462 1.00 0.00 H new ATOM 217 N LYS A 13 7.593 6.060 5.116 1.00 0.00 N ATOM 218 CA LYS A 13 8.090 6.152 3.744 1.00 0.00 C ATOM 219 C LYS A 13 9.360 6.992 3.696 1.00 0.00 C ATOM 220 O LYS A 13 9.403 8.011 4.390 1.00 0.00 O ATOM 221 CB LYS A 13 6.956 6.687 2.867 1.00 0.00 C ATOM 222 CG LYS A 13 6.610 8.187 2.946 1.00 0.00 C ATOM 223 CD LYS A 13 7.269 8.988 1.814 1.00 0.00 C ATOM 224 CE LYS A 13 7.939 10.263 2.313 1.00 0.00 C ATOM 225 NZ LYS A 13 6.992 11.390 2.426 1.00 0.00 N ATOM 0 H LYS A 13 6.930 6.794 5.364 1.00 0.00 H new ATOM 0 HA LYS A 13 8.378 5.175 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.202 6.458 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.054 6.126 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.528 8.313 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.934 8.584 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.010 8.363 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.516 9.245 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.393 10.075 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.745 10.537 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.495 12.233 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.577 11.590 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.236 11.142 3.095 1.00 0.00 H new ATOM 239 N VAL A 14 10.378 6.623 2.925 1.00 0.00 N ATOM 240 CA VAL A 14 11.571 7.462 2.792 1.00 0.00 C ATOM 241 C VAL A 14 11.169 8.762 2.070 1.00 0.00 C ATOM 242 O VAL A 14 10.401 8.720 1.110 1.00 0.00 O ATOM 243 CB VAL A 14 12.709 6.712 2.061 1.00 0.00 C ATOM 244 CG1 VAL A 14 14.031 7.468 2.210 1.00 0.00 C ATOM 245 CG2 VAL A 14 12.958 5.307 2.626 1.00 0.00 C ATOM 0 H VAL A 14 10.405 5.757 2.386 1.00 0.00 H new ATOM 0 HA VAL A 14 11.965 7.710 3.778 1.00 0.00 H new ATOM 0 HB VAL A 14 12.387 6.642 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.821 6.926 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.931 8.465 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.285 7.553 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.767 4.831 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.232 5.381 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.051 4.710 2.529 1.00 0.00 H new ATOM 255 N PRO A 15 11.604 9.941 2.544 1.00 0.00 N ATOM 256 CA PRO A 15 11.469 11.177 1.787 1.00 0.00 C ATOM 257 C PRO A 15 12.365 11.127 0.553 1.00 0.00 C ATOM 258 O PRO A 15 13.310 10.350 0.506 1.00 0.00 O ATOM 259 CB PRO A 15 11.871 12.291 2.755 1.00 0.00 C ATOM 260 CG PRO A 15 12.832 11.599 3.722 1.00 0.00 C ATOM 261 CD PRO A 15 12.343 10.161 3.773 1.00 0.00 C ATOM 0 HA PRO A 15 10.457 11.342 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.353 13.119 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.006 12.702 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.862 11.657 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.807 12.063 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.180 9.468 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.708 9.996 4.644 1.00 0.00 H new ATOM 269 N ASP A 16 12.099 11.989 -0.420 1.00 0.00 N ATOM 270 CA ASP A 16 12.804 12.123 -1.698 1.00 0.00 C ATOM 271 C ASP A 16 12.456 11.010 -2.699 1.00 0.00 C ATOM 272 O ASP A 16 12.727 11.174 -3.888 1.00 0.00 O ATOM 273 CB ASP A 16 14.330 12.333 -1.530 1.00 0.00 C ATOM 274 CG ASP A 16 15.218 11.133 -1.898 1.00 0.00 C ATOM 275 OD1 ASP A 16 15.537 10.983 -3.094 1.00 0.00 O ATOM 276 OD2 ASP A 16 15.762 10.448 -0.993 1.00 0.00 O ATOM 0 H ASP A 16 11.335 12.660 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 16 12.428 13.044 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.630 13.183 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.528 12.602 -0.492 1.00 0.00 H new ATOM 281 N THR A 17 11.774 9.950 -2.260 1.00 0.00 N ATOM 282 CA THR A 17 11.290 8.865 -3.111 1.00 0.00 C ATOM 283 C THR A 17 9.762 8.766 -3.061 1.00 0.00 C ATOM 284 O THR A 17 9.089 9.392 -2.234 1.00 0.00 O ATOM 285 CB THR A 17 11.977 7.540 -2.739 1.00 0.00 C ATOM 286 OG1 THR A 17 11.703 7.182 -1.406 1.00 0.00 O ATOM 287 CG2 THR A 17 13.494 7.618 -2.905 1.00 0.00 C ATOM 0 H THR A 17 11.538 9.821 -1.276 1.00 0.00 H new ATOM 0 HA THR A 17 11.555 9.087 -4.145 1.00 0.00 H new ATOM 0 HB THR A 17 11.576 6.789 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.150 6.336 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.940 6.661 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.735 7.847 -3.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.891 8.401 -2.259 1.00 0.00 H new ATOM 295 N ASP A 18 9.197 7.969 -3.964 1.00 0.00 N ATOM 296 CA ASP A 18 7.768 7.916 -4.283 1.00 0.00 C ATOM 297 C ASP A 18 7.045 6.854 -3.439 1.00 0.00 C ATOM 298 O ASP A 18 5.985 6.351 -3.809 1.00 0.00 O ATOM 299 CB ASP A 18 7.592 7.678 -5.787 1.00 0.00 C ATOM 300 CG ASP A 18 8.330 8.724 -6.629 1.00 0.00 C ATOM 301 OD1 ASP A 18 8.079 9.937 -6.474 1.00 0.00 O ATOM 302 OD2 ASP A 18 9.244 8.327 -7.400 1.00 0.00 O ATOM 0 H ASP A 18 9.745 7.312 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 18 7.308 8.871 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.960 6.684 -6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.531 7.698 -6.034 1.00 0.00 H new ATOM 307 N GLU A 19 7.620 6.461 -2.301 1.00 0.00 N ATOM 308 CA GLU A 19 6.955 5.599 -1.329 1.00 0.00 C ATOM 309 C GLU A 19 5.790 6.360 -0.670 1.00 0.00 C ATOM 310 O GLU A 19 5.761 7.593 -0.687 1.00 0.00 O ATOM 311 CB GLU A 19 7.967 5.181 -0.256 1.00 0.00 C ATOM 312 CG GLU A 19 9.100 4.250 -0.692 1.00 0.00 C ATOM 313 CD GLU A 19 10.040 3.933 0.484 1.00 0.00 C ATOM 314 OE1 GLU A 19 9.683 4.136 1.672 1.00 0.00 O ATOM 315 OE2 GLU A 19 11.181 3.493 0.223 1.00 0.00 O ATOM 0 H GLU A 19 8.564 6.734 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 19 6.564 4.715 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.413 6.085 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.421 4.694 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.682 3.324 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.666 4.715 -1.499 1.00 0.00 H new ATOM 322 N ILE A 20 4.864 5.661 -0.005 1.00 0.00 N ATOM 323 CA ILE A 20 3.841 6.278 0.845 1.00 0.00 C ATOM 324 C ILE A 20 3.779 5.595 2.212 1.00 0.00 C ATOM 325 O ILE A 20 3.916 4.373 2.309 1.00 0.00 O ATOM 326 CB ILE A 20 2.458 6.304 0.164 1.00 0.00 C ATOM 327 CG1 ILE A 20 2.052 4.932 -0.413 1.00 0.00 C ATOM 328 CG2 ILE A 20 2.408 7.381 -0.931 1.00 0.00 C ATOM 329 CD1 ILE A 20 0.535 4.795 -0.532 1.00 0.00 C ATOM 0 H ILE A 20 4.803 4.643 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 20 4.134 7.316 1.001 1.00 0.00 H new ATOM 0 HB ILE A 20 1.734 6.551 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.507 4.801 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.440 4.139 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.423 7.380 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.600 8.359 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.166 7.169 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.289 3.815 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.082 4.900 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.150 5.572 -1.193 1.00 0.00 H new ATOM 341 N SER A 21 3.635 6.385 3.279 1.00 0.00 N ATOM 342 CA SER A 21 3.620 5.852 4.634 1.00 0.00 C ATOM 343 C SER A 21 2.295 5.146 4.871 1.00 0.00 C ATOM 344 O SER A 21 1.274 5.535 4.301 1.00 0.00 O ATOM 345 CB SER A 21 3.721 6.986 5.651 1.00 0.00 C ATOM 346 OG SER A 21 4.909 7.743 5.546 1.00 0.00 O ATOM 0 H SER A 21 3.527 7.398 3.225 1.00 0.00 H new ATOM 0 HA SER A 21 4.462 5.170 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.866 7.650 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.656 6.567 6.655 1.00 0.00 H new ATOM 0 HG SER A 21 4.907 8.451 6.224 1.00 0.00 H new ATOM 352 N PHE A 22 2.265 4.207 5.812 1.00 0.00 N ATOM 353 CA PHE A 22 1.011 3.709 6.345 1.00 0.00 C ATOM 354 C PHE A 22 1.164 3.330 7.807 1.00 0.00 C ATOM 355 O PHE A 22 2.265 3.208 8.343 1.00 0.00 O ATOM 356 CB PHE A 22 0.472 2.552 5.489 1.00 0.00 C ATOM 357 CG PHE A 22 1.441 1.426 5.195 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.255 1.492 4.049 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.451 0.270 5.997 1.00 0.00 C ATOM 360 CE1 PHE A 22 3.065 0.401 3.702 1.00 0.00 C ATOM 361 CE2 PHE A 22 2.276 -0.817 5.652 1.00 0.00 C ATOM 362 CZ PHE A 22 3.077 -0.755 4.498 1.00 0.00 C ATOM 0 H PHE A 22 3.097 3.779 6.218 1.00 0.00 H new ATOM 0 HA PHE A 22 0.268 4.506 6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.399 2.131 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.125 2.961 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.256 2.382 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.826 0.217 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.683 0.451 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.294 -1.700 6.274 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.700 -1.594 4.225 1.00 0.00 H new ATOM 372 N LEU A 23 0.033 3.156 8.472 1.00 0.00 N ATOM 373 CA LEU A 23 -0.080 2.573 9.796 1.00 0.00 C ATOM 374 C LEU A 23 -0.774 1.225 9.632 1.00 0.00 C ATOM 375 O LEU A 23 -1.364 0.971 8.583 1.00 0.00 O ATOM 376 CB LEU A 23 -0.907 3.502 10.694 1.00 0.00 C ATOM 377 CG LEU A 23 -0.248 4.819 11.136 1.00 0.00 C ATOM 378 CD1 LEU A 23 1.030 4.553 11.941 1.00 0.00 C ATOM 379 CD2 LEU A 23 0.022 5.829 10.016 1.00 0.00 C ATOM 0 H LEU A 23 -0.870 3.430 8.085 1.00 0.00 H new ATOM 0 HA LEU A 23 0.898 2.441 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.831 3.746 10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.186 2.946 11.589 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.995 5.296 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.475 5.502 12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.786 3.970 12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.738 3.998 11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.488 6.721 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.689 5.384 9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.919 6.101 9.537 1.00 0.00 H new ATOM 391 N LYS A 24 -0.746 0.368 10.657 1.00 0.00 N ATOM 392 CA LYS A 24 -1.576 -0.837 10.718 1.00 0.00 C ATOM 393 C LYS A 24 -3.044 -0.412 10.788 1.00 0.00 C ATOM 394 O LYS A 24 -3.387 0.373 11.675 1.00 0.00 O ATOM 395 CB LYS A 24 -1.161 -1.649 11.957 1.00 0.00 C ATOM 396 CG LYS A 24 -2.002 -2.912 12.220 1.00 0.00 C ATOM 397 CD LYS A 24 -1.340 -3.784 13.301 1.00 0.00 C ATOM 398 CE LYS A 24 -1.924 -5.203 13.379 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.055 -5.323 14.317 1.00 0.00 N ATOM 0 H LYS A 24 -0.144 0.492 11.471 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.442 -1.462 9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.117 -1.942 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.220 -1.003 12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.006 -2.628 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.109 -3.484 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.271 -3.849 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.454 -3.298 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.253 -5.507 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.138 -5.895 13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.400 -6.304 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.742 -5.063 15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.822 -4.687 14.019 1.00 0.00 H new ATOM 413 N GLY A 25 -3.882 -0.918 9.884 1.00 0.00 N ATOM 414 CA GLY A 25 -5.315 -0.664 9.839 1.00 0.00 C ATOM 415 C GLY A 25 -5.719 0.320 8.743 1.00 0.00 C ATOM 416 O GLY A 25 -6.510 1.223 9.004 1.00 0.00 O ATOM 0 H GLY A 25 -3.567 -1.538 9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.840 -1.607 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.639 -0.275 10.804 1.00 0.00 H new ATOM 420 N ASP A 26 -5.241 0.145 7.515 1.00 0.00 N ATOM 421 CA ASP A 26 -5.568 0.952 6.335 1.00 0.00 C ATOM 422 C ASP A 26 -5.572 0.048 5.098 1.00 0.00 C ATOM 423 O ASP A 26 -5.095 -1.092 5.166 1.00 0.00 O ATOM 424 CB ASP A 26 -4.552 2.100 6.172 1.00 0.00 C ATOM 425 CG ASP A 26 -5.215 3.480 6.259 1.00 0.00 C ATOM 426 OD1 ASP A 26 -6.238 3.699 5.570 1.00 0.00 O ATOM 427 OD2 ASP A 26 -4.690 4.339 7.001 1.00 0.00 O ATOM 0 H ASP A 26 -4.580 -0.602 7.301 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.556 1.396 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.787 2.018 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.047 2.002 5.211 1.00 0.00 H new ATOM 432 N MET A 27 -6.098 0.531 3.972 1.00 0.00 N ATOM 433 CA MET A 27 -6.303 -0.258 2.759 1.00 0.00 C ATOM 434 C MET A 27 -5.915 0.534 1.521 1.00 0.00 C ATOM 435 O MET A 27 -6.108 1.747 1.462 1.00 0.00 O ATOM 436 CB MET A 27 -7.773 -0.700 2.651 1.00 0.00 C ATOM 437 CG MET A 27 -7.933 -2.142 3.119 1.00 0.00 C ATOM 438 SD MET A 27 -9.616 -2.824 3.127 1.00 0.00 S ATOM 439 CE MET A 27 -10.086 -2.650 1.382 1.00 0.00 C ATOM 0 H MET A 27 -6.399 1.501 3.877 1.00 0.00 H new ATOM 0 HA MET A 27 -5.665 -1.140 2.821 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.401 -0.044 3.254 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.112 -0.607 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.314 -2.775 2.483 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.532 -2.217 4.130 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.852 -3.385 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.477 -1.647 1.209 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.212 -2.813 0.752 1.00 0.00 H new ATOM 449 N PHE A 28 -5.461 -0.189 0.499 1.00 0.00 N ATOM 450 CA PHE A 28 -4.910 0.362 -0.727 1.00 0.00 C ATOM 451 C PHE A 28 -5.460 -0.396 -1.921 1.00 0.00 C ATOM 452 O PHE A 28 -5.872 -1.551 -1.798 1.00 0.00 O ATOM 453 CB PHE A 28 -3.384 0.230 -0.764 1.00 0.00 C ATOM 454 CG PHE A 28 -2.650 0.377 0.543 1.00 0.00 C ATOM 455 CD1 PHE A 28 -2.527 -0.746 1.373 1.00 0.00 C ATOM 456 CD2 PHE A 28 -2.030 1.589 0.891 1.00 0.00 C ATOM 457 CE1 PHE A 28 -1.755 -0.674 2.535 1.00 0.00 C ATOM 458 CE2 PHE A 28 -1.278 1.671 2.077 1.00 0.00 C ATOM 459 CZ PHE A 28 -1.134 0.533 2.891 1.00 0.00 C ATOM 0 H PHE A 28 -5.469 -1.209 0.507 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.188 1.415 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.139 -0.747 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.997 0.978 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.029 -1.667 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.130 2.453 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.636 -1.547 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.813 2.604 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.543 0.588 3.793 1.00 0.00 H new ATOM 469 N ILE A 29 -5.394 0.215 -3.097 1.00 0.00 N ATOM 470 CA ILE A 29 -5.873 -0.380 -4.339 1.00 0.00 C ATOM 471 C ILE A 29 -4.665 -0.695 -5.201 1.00 0.00 C ATOM 472 O ILE A 29 -3.754 0.126 -5.265 1.00 0.00 O ATOM 473 CB ILE A 29 -6.896 0.551 -5.022 1.00 0.00 C ATOM 474 CG1 ILE A 29 -6.260 1.786 -5.687 1.00 0.00 C ATOM 475 CG2 ILE A 29 -7.929 0.990 -3.968 1.00 0.00 C ATOM 476 CD1 ILE A 29 -7.267 2.629 -6.460 1.00 0.00 C ATOM 0 H ILE A 29 -5.002 1.149 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.408 -1.312 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.366 -0.010 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.790 2.403 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.470 1.461 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.663 1.650 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.434 0.112 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.423 1.519 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.759 3.484 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.719 2.025 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.044 2.981 -5.781 1.00 0.00 H new ATOM 488 N VAL A 30 -4.634 -1.848 -5.867 1.00 0.00 N ATOM 489 CA VAL A 30 -3.541 -2.116 -6.794 1.00 0.00 C ATOM 490 C VAL A 30 -3.735 -1.165 -7.972 1.00 0.00 C ATOM 491 O VAL A 30 -4.845 -1.071 -8.512 1.00 0.00 O ATOM 492 CB VAL A 30 -3.489 -3.586 -7.241 1.00 0.00 C ATOM 493 CG1 VAL A 30 -2.090 -3.910 -7.786 1.00 0.00 C ATOM 494 CG2 VAL A 30 -3.757 -4.551 -6.086 1.00 0.00 C ATOM 0 H VAL A 30 -5.330 -2.589 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.580 -1.946 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.260 -3.711 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.055 -4.953 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.873 -3.265 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.348 -3.743 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.710 -5.577 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.006 -4.407 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.747 -4.358 -5.673 1.00 0.00 H new ATOM 504 N HIS A 31 -2.682 -0.437 -8.338 1.00 0.00 N ATOM 505 CA HIS A 31 -2.671 0.423 -9.512 1.00 0.00 C ATOM 506 C HIS A 31 -1.571 0.017 -10.477 1.00 0.00 C ATOM 507 O HIS A 31 -1.753 0.190 -11.685 1.00 0.00 O ATOM 508 CB HIS A 31 -2.514 1.895 -9.114 1.00 0.00 C ATOM 509 CG HIS A 31 -3.760 2.689 -9.364 1.00 0.00 C ATOM 510 ND1 HIS A 31 -4.305 2.981 -10.595 1.00 0.00 N ATOM 511 CD2 HIS A 31 -4.522 3.293 -8.411 1.00 0.00 C ATOM 512 CE1 HIS A 31 -5.407 3.719 -10.391 1.00 0.00 C ATOM 513 NE2 HIS A 31 -5.567 3.940 -9.076 1.00 0.00 N ATOM 0 H HIS A 31 -1.804 -0.430 -7.819 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.630 0.304 -10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.252 1.957 -8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.688 2.334 -9.674 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -3.937 2.688 -11.500 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.351 3.275 -7.345 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.066 4.081 -11.167 1.00 0.00 H new ATOM 521 N ASN A 32 -0.440 -0.500 -9.991 1.00 0.00 N ATOM 522 CA ASN A 32 0.517 -1.148 -10.868 1.00 0.00 C ATOM 523 C ASN A 32 1.313 -2.201 -10.122 1.00 0.00 C ATOM 524 O ASN A 32 1.402 -2.180 -8.893 1.00 0.00 O ATOM 525 CB ASN A 32 1.464 -0.122 -11.495 1.00 0.00 C ATOM 526 CG ASN A 32 2.191 -0.688 -12.692 1.00 0.00 C ATOM 527 OD1 ASN A 32 1.677 -1.543 -13.409 1.00 0.00 O ATOM 528 ND2 ASN A 32 3.403 -0.235 -12.902 1.00 0.00 N ATOM 0 H ASN A 32 -0.173 -0.480 -9.007 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.044 -1.638 -11.664 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.897 0.759 -11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.190 0.206 -10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.953 -0.593 -13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.796 0.476 -12.285 1.00 0.00 H new ATOM 535 N GLU A 33 1.932 -3.075 -10.899 1.00 0.00 N ATOM 536 CA GLU A 33 2.760 -4.186 -10.465 1.00 0.00 C ATOM 537 C GLU A 33 4.208 -3.821 -10.810 1.00 0.00 C ATOM 538 O GLU A 33 4.488 -3.347 -11.917 1.00 0.00 O ATOM 539 CB GLU A 33 2.275 -5.487 -11.147 1.00 0.00 C ATOM 540 CG GLU A 33 0.902 -5.941 -10.605 1.00 0.00 C ATOM 541 CD GLU A 33 0.238 -7.106 -11.360 1.00 0.00 C ATOM 542 OE1 GLU A 33 0.925 -8.024 -11.856 1.00 0.00 O ATOM 543 OE2 GLU A 33 -1.019 -7.101 -11.462 1.00 0.00 O ATOM 0 H GLU A 33 1.864 -3.023 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 33 2.692 -4.366 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.207 -5.330 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.009 -6.277 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.022 -6.230 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.225 -5.087 -10.623 1.00 0.00 H new ATOM 550 N LEU A 34 5.115 -4.014 -9.849 1.00 0.00 N ATOM 551 CA LEU A 34 6.570 -3.900 -9.998 1.00 0.00 C ATOM 552 C LEU A 34 7.185 -5.216 -9.506 1.00 0.00 C ATOM 553 O LEU A 34 6.452 -6.205 -9.402 1.00 0.00 O ATOM 554 CB LEU A 34 7.099 -2.658 -9.261 1.00 0.00 C ATOM 555 CG LEU A 34 6.470 -1.339 -9.749 1.00 0.00 C ATOM 556 CD1 LEU A 34 6.553 -0.285 -8.658 1.00 0.00 C ATOM 557 CD2 LEU A 34 7.164 -0.787 -10.986 1.00 0.00 C ATOM 0 H LEU A 34 4.842 -4.266 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 34 6.855 -3.752 -11.040 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.907 -2.770 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.180 -2.604 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 34 5.434 -1.565 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.106 0.643 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.016 -0.632 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.598 -0.109 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.682 0.143 -11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.213 -0.595 -10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.094 -1.512 -11.797 1.00 0.00 H new ATOM 569 N GLU A 35 8.507 -5.297 -9.316 1.00 0.00 N ATOM 570 CA GLU A 35 9.214 -6.588 -9.310 1.00 0.00 C ATOM 571 C GLU A 35 10.233 -6.729 -8.179 1.00 0.00 C ATOM 572 O GLU A 35 11.015 -7.670 -8.131 1.00 0.00 O ATOM 573 CB GLU A 35 9.880 -6.777 -10.690 1.00 0.00 C ATOM 574 CG GLU A 35 8.849 -6.935 -11.819 1.00 0.00 C ATOM 575 CD GLU A 35 9.472 -6.929 -13.211 1.00 0.00 C ATOM 576 OE1 GLU A 35 10.199 -7.889 -13.566 1.00 0.00 O ATOM 577 OE2 GLU A 35 9.203 -5.985 -13.988 1.00 0.00 O ATOM 0 H GLU A 35 9.109 -4.488 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 35 8.482 -7.373 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.520 -5.920 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.523 -7.656 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.305 -7.869 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.120 -6.127 -11.751 1.00 0.00 H new ATOM 584 N ASP A 36 10.162 -5.841 -7.199 1.00 0.00 N ATOM 585 CA ASP A 36 11.177 -5.642 -6.158 1.00 0.00 C ATOM 586 C ASP A 36 10.599 -5.875 -4.755 1.00 0.00 C ATOM 587 O ASP A 36 11.160 -5.442 -3.753 1.00 0.00 O ATOM 588 CB ASP A 36 11.834 -4.261 -6.349 1.00 0.00 C ATOM 589 CG ASP A 36 13.173 -4.067 -5.617 1.00 0.00 C ATOM 590 OD1 ASP A 36 13.217 -3.578 -4.466 1.00 0.00 O ATOM 591 OD2 ASP A 36 14.227 -4.292 -6.256 1.00 0.00 O ATOM 0 H ASP A 36 9.367 -5.211 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 36 11.965 -6.389 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.993 -4.096 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.138 -3.495 -6.009 1.00 0.00 H new ATOM 596 N GLY A 37 9.432 -6.521 -4.658 1.00 0.00 N ATOM 597 CA GLY A 37 8.661 -6.605 -3.425 1.00 0.00 C ATOM 598 C GLY A 37 7.746 -5.396 -3.243 1.00 0.00 C ATOM 599 O GLY A 37 7.237 -5.179 -2.146 1.00 0.00 O ATOM 0 H GLY A 37 8.997 -7.003 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.062 -7.516 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.341 -6.677 -2.576 1.00 0.00 H new ATOM 603 N TRP A 38 7.548 -4.599 -4.295 1.00 0.00 N ATOM 604 CA TRP A 38 6.901 -3.297 -4.263 1.00 0.00 C ATOM 605 C TRP A 38 5.756 -3.266 -5.273 1.00 0.00 C ATOM 606 O TRP A 38 5.843 -3.908 -6.320 1.00 0.00 O ATOM 607 CB TRP A 38 7.951 -2.227 -4.595 1.00 0.00 C ATOM 608 CG TRP A 38 8.899 -1.877 -3.488 1.00 0.00 C ATOM 609 CD1 TRP A 38 10.175 -2.295 -3.332 1.00 0.00 C ATOM 610 CD2 TRP A 38 8.647 -0.994 -2.361 1.00 0.00 C ATOM 611 NE1 TRP A 38 10.725 -1.704 -2.211 1.00 0.00 N ATOM 612 CE2 TRP A 38 9.823 -0.889 -1.567 1.00 0.00 C ATOM 613 CE3 TRP A 38 7.524 -0.265 -1.943 1.00 0.00 C ATOM 614 CZ2 TRP A 38 9.881 -0.080 -0.422 1.00 0.00 C ATOM 615 CZ3 TRP A 38 7.558 0.540 -0.795 1.00 0.00 C ATOM 616 CH2 TRP A 38 8.738 0.644 -0.038 1.00 0.00 C ATOM 0 H TRP A 38 7.850 -4.861 -5.233 1.00 0.00 H new ATOM 0 HA TRP A 38 6.485 -3.101 -3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.532 -2.569 -5.451 1.00 0.00 H new ATOM 0 HB3 TRP A 38 7.432 -1.320 -4.904 1.00 0.00 H new ATOM 0 HD1 TRP A 38 10.687 -2.986 -3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 38 11.684 -1.854 -1.898 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.612 -0.325 -2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.791 -0.014 0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.674 1.082 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.767 1.278 0.836 1.00 0.00 H new ATOM 627 N MET A 39 4.713 -2.476 -5.000 1.00 0.00 N ATOM 628 CA MET A 39 3.579 -2.249 -5.897 1.00 0.00 C ATOM 629 C MET A 39 3.139 -0.793 -5.779 1.00 0.00 C ATOM 630 O MET A 39 3.185 -0.225 -4.685 1.00 0.00 O ATOM 631 CB MET A 39 2.398 -3.144 -5.500 1.00 0.00 C ATOM 632 CG MET A 39 2.677 -4.637 -5.700 1.00 0.00 C ATOM 633 SD MET A 39 1.448 -5.729 -4.951 1.00 0.00 S ATOM 634 CE MET A 39 1.799 -5.405 -3.198 1.00 0.00 C ATOM 0 H MET A 39 4.634 -1.962 -4.122 1.00 0.00 H new ATOM 0 HA MET A 39 3.884 -2.481 -6.917 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.150 -2.964 -4.454 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.524 -2.863 -6.087 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.728 -4.845 -6.769 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.656 -4.871 -5.283 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.587 -6.300 -2.613 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.849 -5.135 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.172 -4.585 -2.847 1.00 0.00 H new ATOM 644 N TRP A 40 2.703 -0.192 -6.891 1.00 0.00 N ATOM 645 CA TRP A 40 2.072 1.122 -6.888 1.00 0.00 C ATOM 646 C TRP A 40 0.602 1.001 -6.513 1.00 0.00 C ATOM 647 O TRP A 40 -0.122 0.162 -7.060 1.00 0.00 O ATOM 648 CB TRP A 40 2.192 1.776 -8.262 1.00 0.00 C ATOM 649 CG TRP A 40 1.869 3.235 -8.268 1.00 0.00 C ATOM 650 CD1 TRP A 40 0.636 3.783 -8.290 1.00 0.00 C ATOM 651 CD2 TRP A 40 2.788 4.353 -8.151 1.00 0.00 C ATOM 652 NE1 TRP A 40 0.732 5.157 -8.247 1.00 0.00 N ATOM 653 CE2 TRP A 40 2.045 5.568 -8.136 1.00 0.00 C ATOM 654 CE3 TRP A 40 4.184 4.437 -8.030 1.00 0.00 C ATOM 655 CZ2 TRP A 40 2.668 6.818 -8.004 1.00 0.00 C ATOM 656 CZ3 TRP A 40 4.824 5.683 -7.891 1.00 0.00 C ATOM 657 CH2 TRP A 40 4.068 6.871 -7.876 1.00 0.00 C ATOM 0 H TRP A 40 2.780 -0.609 -7.819 1.00 0.00 H new ATOM 0 HA TRP A 40 2.582 1.743 -6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.208 1.637 -8.632 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.527 1.264 -8.957 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.289 3.227 -8.335 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.066 5.790 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.775 3.533 -8.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.082 7.725 -8.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.899 5.728 -7.796 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.564 7.824 -7.766 1.00 0.00 H new ATOM 668 N VAL A 41 0.146 1.892 -5.639 1.00 0.00 N ATOM 669 CA VAL A 41 -1.211 1.918 -5.127 1.00 0.00 C ATOM 670 C VAL A 41 -1.689 3.360 -4.968 1.00 0.00 C ATOM 671 O VAL A 41 -0.927 4.316 -5.151 1.00 0.00 O ATOM 672 CB VAL A 41 -1.270 1.138 -3.792 1.00 0.00 C ATOM 673 CG1 VAL A 41 -0.819 -0.325 -3.919 1.00 0.00 C ATOM 674 CG2 VAL A 41 -0.474 1.826 -2.674 1.00 0.00 C ATOM 0 H VAL A 41 0.731 2.636 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.884 1.432 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.326 1.138 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.886 -0.812 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.463 -0.844 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.212 -0.359 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.548 1.238 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.572 1.907 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.880 2.822 -2.499 1.00 0.00 H new ATOM 684 N THR A 42 -2.956 3.516 -4.598 1.00 0.00 N ATOM 685 CA THR A 42 -3.454 4.689 -3.891 1.00 0.00 C ATOM 686 C THR A 42 -3.827 4.164 -2.500 1.00 0.00 C ATOM 687 O THR A 42 -4.423 3.077 -2.419 1.00 0.00 O ATOM 688 CB THR A 42 -4.658 5.301 -4.639 1.00 0.00 C ATOM 689 OG1 THR A 42 -4.367 5.400 -6.024 1.00 0.00 O ATOM 690 CG2 THR A 42 -5.060 6.687 -4.129 1.00 0.00 C ATOM 0 H THR A 42 -3.677 2.819 -4.784 1.00 0.00 H new ATOM 0 HA THR A 42 -2.723 5.495 -3.824 1.00 0.00 H new ATOM 0 HB THR A 42 -5.496 4.629 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.135 5.787 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.912 7.052 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.332 6.622 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.222 7.375 -4.246 1.00 0.00 H new ATOM 698 N ASN A 43 -3.460 4.860 -1.414 1.00 0.00 N ATOM 699 CA ASN A 43 -4.049 4.563 -0.103 1.00 0.00 C ATOM 700 C ASN A 43 -5.460 5.176 -0.111 1.00 0.00 C ATOM 701 O ASN A 43 -5.715 6.050 -0.940 1.00 0.00 O ATOM 702 CB ASN A 43 -3.127 5.164 0.974 1.00 0.00 C ATOM 703 CG ASN A 43 -3.288 4.580 2.372 1.00 0.00 C ATOM 704 OD1 ASN A 43 -4.219 3.834 2.652 1.00 0.00 O ATOM 705 ND2 ASN A 43 -2.409 4.950 3.290 1.00 0.00 N ATOM 0 H ASN A 43 -2.774 5.615 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.138 3.498 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.092 5.029 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.307 6.238 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.500 4.613 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.640 5.572 3.039 1.00 0.00 H new ATOM 712 N LEU A 44 -6.377 4.848 0.801 1.00 0.00 N ATOM 713 CA LEU A 44 -7.702 5.499 0.779 1.00 0.00 C ATOM 714 C LEU A 44 -7.751 6.791 1.590 1.00 0.00 C ATOM 715 O LEU A 44 -8.432 7.732 1.185 1.00 0.00 O ATOM 716 CB LEU A 44 -8.823 4.554 1.232 1.00 0.00 C ATOM 717 CG LEU A 44 -9.077 3.358 0.300 1.00 0.00 C ATOM 718 CD1 LEU A 44 -10.402 2.693 0.685 1.00 0.00 C ATOM 719 CD2 LEU A 44 -9.132 3.707 -1.191 1.00 0.00 C ATOM 0 H LEU A 44 -6.242 4.161 1.543 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.869 5.760 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.581 4.177 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.746 5.127 1.324 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.223 2.694 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.588 1.844 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.349 2.348 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.213 3.414 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.315 2.802 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.937 4.420 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.183 4.148 -1.497 1.00 0.00 H new ATOM 731 N ARG A 45 -7.021 6.845 2.706 1.00 0.00 N ATOM 732 CA ARG A 45 -7.151 7.855 3.757 1.00 0.00 C ATOM 733 C ARG A 45 -7.110 9.320 3.327 1.00 0.00 C ATOM 734 O ARG A 45 -7.643 10.153 4.053 1.00 0.00 O ATOM 735 CB ARG A 45 -6.082 7.602 4.822 1.00 0.00 C ATOM 736 CG ARG A 45 -4.661 7.358 4.282 1.00 0.00 C ATOM 737 CD ARG A 45 -3.557 7.647 5.305 1.00 0.00 C ATOM 738 NE ARG A 45 -3.770 6.903 6.549 1.00 0.00 N ATOM 739 CZ ARG A 45 -3.225 7.146 7.743 1.00 0.00 C ATOM 740 NH1 ARG A 45 -2.340 8.122 7.905 1.00 0.00 N ATOM 741 NH2 ARG A 45 -3.599 6.401 8.773 1.00 0.00 N ATOM 0 H ARG A 45 -6.294 6.159 2.910 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.165 7.726 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.055 8.458 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.381 6.738 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.579 6.322 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.503 7.983 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.588 7.381 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.528 8.715 5.519 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.408 6.109 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.067 8.700 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.933 8.294 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.289 5.661 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.197 6.567 9.695 1.00 0.00 H new ATOM 755 N THR A 46 -6.411 9.630 2.248 1.00 0.00 N ATOM 756 CA THR A 46 -6.167 10.975 1.735 1.00 0.00 C ATOM 757 C THR A 46 -5.928 10.994 0.203 1.00 0.00 C ATOM 758 O THR A 46 -5.406 11.971 -0.337 1.00 0.00 O ATOM 759 CB THR A 46 -5.102 11.657 2.634 1.00 0.00 C ATOM 760 OG1 THR A 46 -4.839 12.999 2.290 1.00 0.00 O ATOM 761 CG2 THR A 46 -3.774 10.900 2.714 1.00 0.00 C ATOM 0 H THR A 46 -5.972 8.912 1.671 1.00 0.00 H new ATOM 0 HA THR A 46 -7.059 11.597 1.811 1.00 0.00 H new ATOM 0 HB THR A 46 -5.571 11.635 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.980 13.124 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.085 11.442 3.361 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.947 9.904 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.344 10.814 1.716 1.00 0.00 H new ATOM 769 N ASP A 47 -6.318 9.940 -0.534 1.00 0.00 N ATOM 770 CA ASP A 47 -6.032 9.723 -1.970 1.00 0.00 C ATOM 771 C ASP A 47 -4.530 9.847 -2.298 1.00 0.00 C ATOM 772 O ASP A 47 -4.149 10.251 -3.394 1.00 0.00 O ATOM 773 CB ASP A 47 -6.930 10.627 -2.846 1.00 0.00 C ATOM 774 CG ASP A 47 -6.937 10.277 -4.344 1.00 0.00 C ATOM 775 OD1 ASP A 47 -7.386 9.176 -4.723 1.00 0.00 O ATOM 776 OD2 ASP A 47 -6.691 11.169 -5.199 1.00 0.00 O ATOM 0 H ASP A 47 -6.866 9.180 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.286 8.691 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.952 10.573 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.603 11.660 -2.731 1.00 0.00 H new ATOM 781 N GLU A 48 -3.649 9.577 -1.326 1.00 0.00 N ATOM 782 CA GLU A 48 -2.197 9.525 -1.533 1.00 0.00 C ATOM 783 C GLU A 48 -1.811 8.367 -2.441 1.00 0.00 C ATOM 784 O GLU A 48 -2.448 7.315 -2.409 1.00 0.00 O ATOM 785 CB GLU A 48 -1.409 9.534 -0.226 1.00 0.00 C ATOM 786 CG GLU A 48 -1.616 8.277 0.567 1.00 0.00 C ATOM 787 CD GLU A 48 -0.724 8.111 1.795 1.00 0.00 C ATOM 788 OE1 GLU A 48 0.382 8.688 1.875 1.00 0.00 O ATOM 789 OE2 GLU A 48 -1.176 7.396 2.718 1.00 0.00 O ATOM 0 H GLU A 48 -3.928 9.387 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.917 10.445 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.348 9.654 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.711 10.394 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.657 8.241 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.457 7.424 -0.092 1.00 0.00 H new ATOM 796 N GLN A 49 -0.744 8.541 -3.216 1.00 0.00 N ATOM 797 CA GLN A 49 -0.350 7.628 -4.275 1.00 0.00 C ATOM 798 C GLN A 49 1.155 7.451 -4.221 1.00 0.00 C ATOM 799 O GLN A 49 1.878 8.410 -3.922 1.00 0.00 O ATOM 800 CB GLN A 49 -0.716 8.232 -5.637 1.00 0.00 C ATOM 801 CG GLN A 49 -2.223 8.474 -5.809 1.00 0.00 C ATOM 802 CD GLN A 49 -2.543 9.501 -6.882 1.00 0.00 C ATOM 803 OE1 GLN A 49 -1.758 10.384 -7.197 1.00 0.00 O ATOM 804 NE2 GLN A 49 -3.710 9.426 -7.489 1.00 0.00 N ATOM 0 H GLN A 49 -0.118 9.340 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.859 6.673 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.187 9.177 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.370 7.566 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.710 7.532 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.642 8.807 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.372 8.693 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.952 10.101 -8.215 1.00 0.00 H new ATOM 813 N GLY A 50 1.609 6.242 -4.534 1.00 0.00 N ATOM 814 CA GLY A 50 2.999 5.861 -4.440 1.00 0.00 C ATOM 815 C GLY A 50 3.106 4.384 -4.101 1.00 0.00 C ATOM 816 O GLY A 50 2.197 3.599 -4.387 1.00 0.00 O ATOM 0 H GLY A 50 1.004 5.491 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.506 6.065 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.498 6.456 -3.675 1.00 0.00 H new ATOM 820 N LEU A 51 4.248 4.001 -3.538 1.00 0.00 N ATOM 821 CA LEU A 51 4.673 2.610 -3.425 1.00 0.00 C ATOM 822 C LEU A 51 4.493 2.058 -2.011 1.00 0.00 C ATOM 823 O LEU A 51 4.682 2.792 -1.033 1.00 0.00 O ATOM 824 CB LEU A 51 6.140 2.519 -3.891 1.00 0.00 C ATOM 825 CG LEU A 51 6.300 2.805 -5.393 1.00 0.00 C ATOM 826 CD1 LEU A 51 7.754 3.012 -5.798 1.00 0.00 C ATOM 827 CD2 LEU A 51 5.763 1.633 -6.202 1.00 0.00 C ATOM 0 H LEU A 51 4.916 4.661 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 51 4.041 1.989 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.743 3.228 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.527 1.524 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 51 5.744 3.721 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.809 3.210 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.167 3.859 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.328 2.115 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.879 1.841 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.318 0.730 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.707 1.487 -5.974 1.00 0.00 H new ATOM 839 N ILE A 52 4.185 0.757 -1.908 1.00 0.00 N ATOM 840 CA ILE A 52 4.105 -0.030 -0.671 1.00 0.00 C ATOM 841 C ILE A 52 4.789 -1.402 -0.846 1.00 0.00 C ATOM 842 O ILE A 52 4.745 -1.976 -1.938 1.00 0.00 O ATOM 843 CB ILE A 52 2.640 -0.209 -0.222 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.764 -0.834 -1.324 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.030 1.124 0.244 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.553 -1.587 -0.756 1.00 0.00 C ATOM 0 H ILE A 52 3.973 0.195 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 52 4.634 0.519 0.108 1.00 0.00 H new ATOM 0 HB ILE A 52 2.659 -0.900 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.417 -0.049 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.368 -1.520 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.997 0.963 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.604 1.513 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.055 1.842 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.031 -2.008 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.897 -2.391 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.069 -0.898 -0.184 1.00 0.00 H new ATOM 858 N VAL A 53 5.381 -1.945 0.222 1.00 0.00 N ATOM 859 CA VAL A 53 6.120 -3.207 0.221 1.00 0.00 C ATOM 860 C VAL A 53 5.174 -4.362 0.580 1.00 0.00 C ATOM 861 O VAL A 53 4.315 -4.217 1.456 1.00 0.00 O ATOM 862 CB VAL A 53 7.349 -3.080 1.154 1.00 0.00 C ATOM 863 CG1 VAL A 53 7.007 -3.086 2.656 1.00 0.00 C ATOM 864 CG2 VAL A 53 8.392 -4.170 0.875 1.00 0.00 C ATOM 0 H VAL A 53 5.357 -1.502 1.140 1.00 0.00 H new ATOM 0 HA VAL A 53 6.508 -3.436 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 53 7.763 -2.099 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.924 -2.993 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.347 -2.249 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.508 -4.021 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.238 -4.045 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.944 -5.151 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.736 -4.089 -0.156 1.00 0.00 H new ATOM 874 N GLU A 54 5.270 -5.505 -0.102 1.00 0.00 N ATOM 875 CA GLU A 54 4.335 -6.636 0.023 1.00 0.00 C ATOM 876 C GLU A 54 4.549 -7.448 1.311 1.00 0.00 C ATOM 877 O GLU A 54 3.814 -8.388 1.624 1.00 0.00 O ATOM 878 CB GLU A 54 4.339 -7.478 -1.263 1.00 0.00 C ATOM 879 CG GLU A 54 5.630 -8.263 -1.547 1.00 0.00 C ATOM 880 CD GLU A 54 5.680 -8.882 -2.957 1.00 0.00 C ATOM 881 OE1 GLU A 54 4.702 -8.763 -3.731 1.00 0.00 O ATOM 882 OE2 GLU A 54 6.725 -9.474 -3.304 1.00 0.00 O ATOM 0 H GLU A 54 6.017 -5.679 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 54 3.327 -6.236 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.510 -8.184 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.145 -6.817 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.484 -7.598 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.732 -9.057 -0.807 1.00 0.00 H new ATOM 889 N ASP A 55 5.532 -7.044 2.111 1.00 0.00 N ATOM 890 CA ASP A 55 5.900 -7.652 3.382 1.00 0.00 C ATOM 891 C ASP A 55 4.819 -7.482 4.460 1.00 0.00 C ATOM 892 O ASP A 55 4.784 -8.239 5.434 1.00 0.00 O ATOM 893 CB ASP A 55 7.206 -6.996 3.861 1.00 0.00 C ATOM 894 CG ASP A 55 8.354 -7.977 4.007 1.00 0.00 C ATOM 895 OD1 ASP A 55 8.380 -8.730 5.010 1.00 0.00 O ATOM 896 OD2 ASP A 55 9.326 -7.883 3.233 1.00 0.00 O ATOM 0 H ASP A 55 6.121 -6.245 1.877 1.00 0.00 H new ATOM 0 HA ASP A 55 6.020 -8.724 3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.492 -6.216 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.029 -6.510 4.820 1.00 0.00 H new ATOM 901 N LEU A 56 3.967 -6.456 4.333 1.00 0.00 N ATOM 902 CA LEU A 56 3.192 -5.880 5.440 1.00 0.00 C ATOM 903 C LEU A 56 1.693 -5.790 5.128 1.00 0.00 C ATOM 904 O LEU A 56 0.970 -5.102 5.855 1.00 0.00 O ATOM 905 CB LEU A 56 3.764 -4.498 5.818 1.00 0.00 C ATOM 906 CG LEU A 56 5.257 -4.471 6.199 1.00 0.00 C ATOM 907 CD1 LEU A 56 5.691 -3.046 6.523 1.00 0.00 C ATOM 908 CD2 LEU A 56 5.622 -5.347 7.402 1.00 0.00 C ATOM 0 H LEU A 56 3.794 -5.994 3.440 1.00 0.00 H new ATOM 0 HA LEU A 56 3.287 -6.553 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.611 -3.820 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.188 -4.104 6.655 1.00 0.00 H new ATOM 0 HG LEU A 56 5.775 -4.872 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.748 -3.039 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.534 -2.411 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.103 -2.668 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.691 -5.267 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.066 -5.013 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.369 -6.385 7.186 1.00 0.00 H new ATOM 920 N VAL A 57 1.234 -6.471 4.076 1.00 0.00 N ATOM 921 CA VAL A 57 -0.135 -6.463 3.572 1.00 0.00 C ATOM 922 C VAL A 57 -0.728 -7.874 3.537 1.00 0.00 C ATOM 923 O VAL A 57 -0.023 -8.853 3.792 1.00 0.00 O ATOM 924 CB VAL A 57 -0.205 -5.724 2.216 1.00 0.00 C ATOM 925 CG1 VAL A 57 -0.231 -4.203 2.402 1.00 0.00 C ATOM 926 CG2 VAL A 57 0.966 -6.052 1.285 1.00 0.00 C ATOM 0 H VAL A 57 1.844 -7.075 3.525 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.765 -5.903 4.263 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.131 -6.075 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.280 -3.718 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.104 -3.923 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.673 -3.884 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.854 -5.500 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.903 -5.768 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.975 -7.122 1.075 1.00 0.00 H new ATOM 936 N GLU A 58 -2.031 -7.966 3.275 1.00 0.00 N ATOM 937 CA GLU A 58 -2.808 -9.169 3.043 1.00 0.00 C ATOM 938 C GLU A 58 -3.673 -8.992 1.799 1.00 0.00 C ATOM 939 O GLU A 58 -4.097 -7.876 1.456 1.00 0.00 O ATOM 940 CB GLU A 58 -3.707 -9.498 4.264 1.00 0.00 C ATOM 941 CG GLU A 58 -4.655 -8.344 4.638 1.00 0.00 C ATOM 942 CD GLU A 58 -5.905 -8.733 5.424 1.00 0.00 C ATOM 943 OE1 GLU A 58 -6.648 -9.658 5.037 1.00 0.00 O ATOM 944 OE2 GLU A 58 -6.256 -8.070 6.438 1.00 0.00 O ATOM 0 H GLU A 58 -2.612 -7.129 3.216 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.117 -9.999 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.296 -10.389 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.076 -9.735 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.094 -7.615 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.967 -7.845 3.721 1.00 0.00 H new ATOM 951 N GLU A 59 -4.017 -10.135 1.208 1.00 0.00 N ATOM 952 CA GLU A 59 -5.009 -10.252 0.165 1.00 0.00 C ATOM 953 C GLU A 59 -6.404 -9.997 0.747 1.00 0.00 C ATOM 954 O GLU A 59 -7.207 -10.914 0.951 1.00 0.00 O ATOM 955 CB GLU A 59 -4.970 -11.638 -0.531 1.00 0.00 C ATOM 956 CG GLU A 59 -3.990 -11.772 -1.709 1.00 0.00 C ATOM 957 CD GLU A 59 -4.515 -12.598 -2.899 1.00 0.00 C ATOM 958 OE1 GLU A 59 -5.704 -12.987 -2.952 1.00 0.00 O ATOM 959 OE2 GLU A 59 -3.813 -12.684 -3.930 1.00 0.00 O ATOM 0 H GLU A 59 -3.593 -11.029 1.457 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.779 -9.503 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.715 -12.391 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.973 -11.871 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.732 -10.774 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.069 -12.229 -1.346 1.00 0.00 H new ATOM 966 N VAL A 60 -6.746 -8.730 0.959 1.00 0.00 N ATOM 967 CA VAL A 60 -8.133 -8.341 1.152 1.00 0.00 C ATOM 968 C VAL A 60 -8.889 -8.525 -0.175 1.00 0.00 C ATOM 969 O VAL A 60 -8.302 -8.756 -1.243 1.00 0.00 O ATOM 970 CB VAL A 60 -8.190 -6.927 1.764 1.00 0.00 C ATOM 971 CG1 VAL A 60 -8.092 -5.800 0.733 1.00 0.00 C ATOM 972 CG2 VAL A 60 -9.437 -6.712 2.622 1.00 0.00 C ATOM 0 H VAL A 60 -6.080 -7.958 1.001 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.646 -8.979 1.872 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.303 -6.877 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.139 -4.837 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.147 -5.880 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.919 -5.879 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.429 -5.701 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.328 -6.849 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.445 -7.433 3.440 1.00 0.00 H new