USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.506 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.035 USER MOD Single : A 48 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.0057 USER MOD Single : A 65 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0409 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -19.973 -4.094 -22.536 1.00 0.00 N ATOM 96 CA GLY A 7 -20.700 -2.998 -21.919 1.00 0.00 C ATOM 97 C GLY A 7 -21.482 -3.478 -20.695 1.00 0.00 C ATOM 98 O GLY A 7 -21.279 -2.981 -19.589 1.00 0.00 O ATOM 0 HA2 GLY A 7 -20.002 -2.214 -21.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.386 -2.558 -22.643 1.00 0.00 H new ATOM 102 N TYR A 8 -22.360 -4.441 -20.935 1.00 0.00 N ATOM 103 CA TYR A 8 -23.174 -4.995 -19.866 1.00 0.00 C ATOM 104 C TYR A 8 -22.318 -5.336 -18.645 1.00 0.00 C ATOM 105 O TYR A 8 -22.658 -4.969 -17.521 1.00 0.00 O ATOM 106 CB TYR A 8 -23.782 -6.284 -20.423 1.00 0.00 C ATOM 107 CG TYR A 8 -25.189 -6.110 -20.998 1.00 0.00 C ATOM 108 CD1 TYR A 8 -26.208 -5.636 -20.197 1.00 0.00 C ATOM 109 CD2 TYR A 8 -25.440 -6.427 -22.318 1.00 0.00 C ATOM 110 CE1 TYR A 8 -27.533 -5.473 -20.738 1.00 0.00 C ATOM 111 CE2 TYR A 8 -26.764 -6.263 -22.859 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.745 -5.794 -22.042 1.00 0.00 C ATOM 113 OH TYR A 8 -28.996 -5.640 -22.553 1.00 0.00 O ATOM 0 H TYR A 8 -22.526 -4.852 -21.854 1.00 0.00 H new ATOM 0 HA TYR A 8 -23.931 -4.278 -19.550 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -23.128 -6.675 -21.202 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -23.815 -7.031 -19.630 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.012 -5.387 -19.164 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.643 -6.798 -22.945 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.340 -5.104 -20.122 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.973 -6.507 -23.890 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.999 -5.907 -23.496 1.00 0.00 H new ATOM 123 N ALA A 9 -21.222 -6.033 -18.907 1.00 0.00 N ATOM 124 CA ALA A 9 -20.314 -6.427 -17.843 1.00 0.00 C ATOM 125 C ALA A 9 -19.864 -5.183 -17.075 1.00 0.00 C ATOM 126 O ALA A 9 -19.729 -5.219 -15.853 1.00 0.00 O ATOM 127 CB ALA A 9 -19.136 -7.203 -18.438 1.00 0.00 C ATOM 0 H ALA A 9 -20.942 -6.335 -19.840 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.816 -7.087 -17.136 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.455 -7.499 -17.640 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.506 -8.093 -18.947 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.607 -6.571 -19.151 1.00 0.00 H new ATOM 133 N ALA A 10 -19.644 -4.112 -17.823 1.00 0.00 N ATOM 134 CA ALA A 10 -19.212 -2.859 -17.228 1.00 0.00 C ATOM 135 C ALA A 10 -20.359 -2.269 -16.404 1.00 0.00 C ATOM 136 O ALA A 10 -20.125 -1.569 -15.420 1.00 0.00 O ATOM 137 CB ALA A 10 -18.736 -1.908 -18.328 1.00 0.00 C ATOM 0 H ALA A 10 -19.757 -4.086 -18.836 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.372 -3.024 -16.554 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.412 -0.968 -17.881 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.903 -2.361 -18.865 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.554 -1.717 -19.023 1.00 0.00 H new ATOM 143 N LEU A 11 -21.574 -2.573 -16.837 1.00 0.00 N ATOM 144 CA LEU A 11 -22.757 -2.082 -16.151 1.00 0.00 C ATOM 145 C LEU A 11 -22.833 -2.711 -14.759 1.00 0.00 C ATOM 146 O LEU A 11 -22.959 -2.004 -13.760 1.00 0.00 O ATOM 147 CB LEU A 11 -24.006 -2.319 -17.002 1.00 0.00 C ATOM 148 CG LEU A 11 -25.237 -1.489 -16.632 1.00 0.00 C ATOM 149 CD1 LEU A 11 -25.421 -0.320 -17.601 1.00 0.00 C ATOM 150 CD2 LEU A 11 -26.487 -2.369 -16.550 1.00 0.00 C ATOM 0 H LEU A 11 -21.764 -3.153 -17.654 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.695 -1.003 -16.010 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.756 -2.117 -18.043 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.271 -3.374 -16.937 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.078 -1.063 -15.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.303 0.254 -17.316 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.542 0.324 -17.566 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.549 -0.703 -18.613 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -27.348 -1.755 -16.285 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.662 -2.843 -17.516 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -26.342 -3.137 -15.790 1.00 0.00 H new ATOM 162 N VAL A 12 -22.752 -4.034 -14.737 1.00 0.00 N ATOM 163 CA VAL A 12 -22.810 -4.766 -13.483 1.00 0.00 C ATOM 164 C VAL A 12 -21.676 -4.296 -12.570 1.00 0.00 C ATOM 165 O VAL A 12 -21.923 -3.807 -11.469 1.00 0.00 O ATOM 166 CB VAL A 12 -22.774 -6.271 -13.754 1.00 0.00 C ATOM 167 CG1 VAL A 12 -22.587 -7.058 -12.456 1.00 0.00 C ATOM 168 CG2 VAL A 12 -24.035 -6.725 -14.493 1.00 0.00 C ATOM 0 H VAL A 12 -22.647 -4.617 -15.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.748 -4.564 -12.966 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.917 -6.475 -14.396 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -22.565 -8.125 -12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -21.648 -6.766 -11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.414 -6.845 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -23.984 -7.799 -14.673 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -24.913 -6.500 -13.887 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -24.107 -6.200 -15.446 1.00 0.00 H new ATOM 178 N THR A 13 -20.457 -4.461 -13.061 1.00 0.00 N ATOM 179 CA THR A 13 -19.284 -4.060 -12.303 1.00 0.00 C ATOM 180 C THR A 13 -19.521 -2.707 -11.630 1.00 0.00 C ATOM 181 O THR A 13 -19.385 -2.582 -10.414 1.00 0.00 O ATOM 182 CB THR A 13 -18.083 -4.064 -13.252 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.908 -5.439 -13.584 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.779 -3.682 -12.549 1.00 0.00 C ATOM 0 H THR A 13 -20.256 -4.867 -13.975 1.00 0.00 H new ATOM 0 HA THR A 13 -19.079 -4.760 -11.493 1.00 0.00 H new ATOM 0 HB THR A 13 -18.268 -3.372 -14.074 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.437 -5.653 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.959 -3.701 -13.267 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.872 -2.680 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.576 -4.393 -11.748 1.00 0.00 H new ATOM 192 N PHE A 14 -19.871 -1.727 -12.451 1.00 0.00 N ATOM 193 CA PHE A 14 -20.129 -0.388 -11.950 1.00 0.00 C ATOM 194 C PHE A 14 -21.130 -0.418 -10.793 1.00 0.00 C ATOM 195 O PHE A 14 -20.889 0.176 -9.743 1.00 0.00 O ATOM 196 CB PHE A 14 -20.727 0.415 -13.106 1.00 0.00 C ATOM 197 CG PHE A 14 -19.772 1.449 -13.707 1.00 0.00 C ATOM 198 CD1 PHE A 14 -18.799 1.054 -14.570 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.896 2.762 -13.376 1.00 0.00 C ATOM 200 CE1 PHE A 14 -17.912 2.013 -15.127 1.00 0.00 C ATOM 201 CE2 PHE A 14 -19.010 3.721 -13.933 1.00 0.00 C ATOM 202 CZ PHE A 14 -18.036 3.327 -14.797 1.00 0.00 C ATOM 0 H PHE A 14 -19.982 -1.834 -13.459 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.204 0.056 -11.582 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.039 -0.275 -13.890 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.624 0.925 -12.754 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.700 0.011 -14.832 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.669 3.075 -12.689 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.139 1.699 -15.813 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.109 4.764 -13.671 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.362 4.057 -15.221 1.00 0.00 H new ATOM 212 N GLY A 15 -22.232 -1.115 -11.025 1.00 0.00 N ATOM 213 CA GLY A 15 -23.271 -1.230 -10.016 1.00 0.00 C ATOM 214 C GLY A 15 -22.751 -1.956 -8.774 1.00 0.00 C ATOM 215 O GLY A 15 -22.517 -1.333 -7.739 1.00 0.00 O ATOM 0 H GLY A 15 -22.428 -1.606 -11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.626 -0.237 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.124 -1.770 -10.427 1.00 0.00 H new ATOM 219 N SER A 16 -22.584 -3.262 -8.917 1.00 0.00 N ATOM 220 CA SER A 16 -22.095 -4.079 -7.819 1.00 0.00 C ATOM 221 C SER A 16 -21.012 -3.323 -7.046 1.00 0.00 C ATOM 222 O SER A 16 -21.095 -3.187 -5.827 1.00 0.00 O ATOM 223 CB SER A 16 -21.550 -5.415 -8.327 1.00 0.00 C ATOM 224 OG SER A 16 -22.272 -6.523 -7.796 1.00 0.00 O ATOM 0 H SER A 16 -22.779 -3.775 -9.777 1.00 0.00 H new ATOM 0 HA SER A 16 -22.930 -4.289 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.601 -5.437 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.498 -5.504 -8.056 1.00 0.00 H new ATOM 0 HG SER A 16 -21.895 -7.357 -8.146 1.00 0.00 H new ATOM 230 N ILE A 17 -20.021 -2.851 -7.788 1.00 0.00 N ATOM 231 CA ILE A 17 -18.923 -2.113 -7.188 1.00 0.00 C ATOM 232 C ILE A 17 -19.486 -1.019 -6.278 1.00 0.00 C ATOM 233 O ILE A 17 -19.115 -0.927 -5.109 1.00 0.00 O ATOM 234 CB ILE A 17 -17.977 -1.587 -8.269 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.240 -2.736 -8.960 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.010 -0.550 -7.694 1.00 0.00 C ATOM 237 CD1 ILE A 17 -16.034 -3.189 -8.135 1.00 0.00 C ATOM 0 H ILE A 17 -19.956 -2.965 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.320 -2.770 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.574 -1.084 -9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.921 -3.574 -9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.910 -2.418 -9.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.349 -0.192 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.575 0.288 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.416 -1.006 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.528 -4.006 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.343 -2.355 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.370 -3.529 -7.155 1.00 0.00 H new ATOM 249 N PHE A 18 -20.374 -0.218 -6.849 1.00 0.00 N ATOM 250 CA PHE A 18 -20.992 0.865 -6.104 1.00 0.00 C ATOM 251 C PHE A 18 -21.671 0.342 -4.837 1.00 0.00 C ATOM 252 O PHE A 18 -21.734 1.042 -3.828 1.00 0.00 O ATOM 253 CB PHE A 18 -22.052 1.487 -7.016 1.00 0.00 C ATOM 254 CG PHE A 18 -21.689 2.882 -7.530 1.00 0.00 C ATOM 255 CD1 PHE A 18 -20.595 3.053 -8.320 1.00 0.00 C ATOM 256 CD2 PHE A 18 -22.461 3.951 -7.197 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.258 4.347 -8.797 1.00 0.00 C ATOM 258 CE2 PHE A 18 -22.124 5.246 -7.674 1.00 0.00 C ATOM 259 CZ PHE A 18 -21.030 5.416 -8.463 1.00 0.00 C ATOM 0 H PHE A 18 -20.680 -0.298 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.235 1.590 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.215 0.828 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.995 1.545 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.982 2.204 -8.585 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -23.330 3.815 -6.570 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.389 4.483 -9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.737 6.095 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.774 6.401 -8.825 1.00 0.00 H new ATOM 269 N GLY A 19 -22.162 -0.885 -4.931 1.00 0.00 N ATOM 270 CA GLY A 19 -22.834 -1.511 -3.804 1.00 0.00 C ATOM 271 C GLY A 19 -21.821 -2.076 -2.807 1.00 0.00 C ATOM 272 O GLY A 19 -22.126 -2.225 -1.624 1.00 0.00 O ATOM 0 H GLY A 19 -22.108 -1.463 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.472 -0.781 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.483 -2.311 -4.161 1.00 0.00 H new ATOM 276 N TYR A 20 -20.637 -2.375 -3.320 1.00 0.00 N ATOM 277 CA TYR A 20 -19.577 -2.921 -2.489 1.00 0.00 C ATOM 278 C TYR A 20 -20.087 -4.093 -1.650 1.00 0.00 C ATOM 279 O TYR A 20 -20.728 -3.891 -0.619 1.00 0.00 O ATOM 280 CB TYR A 20 -19.149 -1.788 -1.554 1.00 0.00 C ATOM 281 CG TYR A 20 -17.657 -1.455 -1.622 1.00 0.00 C ATOM 282 CD1 TYR A 20 -16.719 -2.443 -1.403 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.250 -0.166 -1.903 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.315 -2.129 -1.467 1.00 0.00 C ATOM 285 CE2 TYR A 20 -15.846 0.147 -1.968 1.00 0.00 C ATOM 286 CZ TYR A 20 -14.948 -0.850 -1.746 1.00 0.00 C ATOM 287 OH TYR A 20 -13.622 -0.554 -1.807 1.00 0.00 O ATOM 0 H TYR A 20 -20.388 -2.250 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.756 -3.287 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.722 -0.893 -1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.404 -2.060 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.038 -3.451 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -17.984 0.607 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.570 -2.892 -1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.514 1.151 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.508 0.397 -2.016 1.00 0.00 H new ATOM 297 N LYS A 21 -19.785 -5.294 -2.122 1.00 0.00 N ATOM 298 CA LYS A 21 -20.205 -6.499 -1.427 1.00 0.00 C ATOM 299 C LYS A 21 -18.969 -7.302 -1.015 1.00 0.00 C ATOM 300 O LYS A 21 -18.363 -7.983 -1.841 1.00 0.00 O ATOM 301 CB LYS A 21 -21.196 -7.291 -2.282 1.00 0.00 C ATOM 302 CG LYS A 21 -22.622 -7.144 -1.745 1.00 0.00 C ATOM 303 CD LYS A 21 -23.611 -6.882 -2.883 1.00 0.00 C ATOM 304 CE LYS A 21 -24.980 -7.490 -2.570 1.00 0.00 C ATOM 305 NZ LYS A 21 -25.650 -7.926 -3.815 1.00 0.00 N ATOM 0 H LYS A 21 -19.254 -5.458 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 21 -20.740 -6.245 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -21.154 -6.940 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -20.914 -8.344 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.908 -8.050 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -22.662 -6.324 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.713 -5.808 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.225 -7.305 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.862 -8.339 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.600 -6.758 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.578 -8.336 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.780 -7.108 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.064 -8.641 -4.292 1.00 0.00 H new ATOM 319 N ARG A 22 -18.633 -7.196 0.262 1.00 0.00 N ATOM 320 CA ARG A 22 -17.480 -7.903 0.793 1.00 0.00 C ATOM 321 C ARG A 22 -16.187 -7.316 0.223 1.00 0.00 C ATOM 322 O ARG A 22 -15.632 -7.846 -0.738 1.00 0.00 O ATOM 323 CB ARG A 22 -17.547 -9.395 0.457 1.00 0.00 C ATOM 324 CG ARG A 22 -17.800 -10.229 1.715 1.00 0.00 C ATOM 325 CD ARG A 22 -16.756 -11.338 1.856 1.00 0.00 C ATOM 326 NE ARG A 22 -17.414 -12.663 1.803 1.00 0.00 N ATOM 327 CZ ARG A 22 -18.081 -13.212 2.827 1.00 0.00 C ATOM 328 NH1 ARG A 22 -18.182 -12.555 3.990 1.00 0.00 N ATOM 329 NH2 ARG A 22 -18.646 -14.419 2.687 1.00 0.00 N ATOM 0 H ARG A 22 -19.139 -6.631 0.944 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.489 -7.785 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.342 -9.573 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.613 -9.709 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.773 -9.585 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.797 -10.667 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.018 -11.257 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.220 -11.226 2.799 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.356 -13.191 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.751 -11.637 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.690 -12.973 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.568 -14.919 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.154 -14.838 3.466 1.00 0.00 H new ATOM 343 N ARG A 23 -15.746 -6.230 0.840 1.00 0.00 N ATOM 344 CA ARG A 23 -14.529 -5.565 0.406 1.00 0.00 C ATOM 345 C ARG A 23 -13.425 -6.593 0.151 1.00 0.00 C ATOM 346 O ARG A 23 -12.774 -6.565 -0.892 1.00 0.00 O ATOM 347 CB ARG A 23 -14.048 -4.558 1.452 1.00 0.00 C ATOM 348 CG ARG A 23 -13.865 -5.230 2.815 1.00 0.00 C ATOM 349 CD ARG A 23 -13.970 -4.207 3.948 1.00 0.00 C ATOM 350 NE ARG A 23 -15.304 -4.290 4.583 1.00 0.00 N ATOM 351 CZ ARG A 23 -15.690 -5.286 5.393 1.00 0.00 C ATOM 352 NH1 ARG A 23 -14.846 -6.289 5.670 1.00 0.00 N ATOM 353 NH2 ARG A 23 -16.920 -5.279 5.924 1.00 0.00 N ATOM 0 H ARG A 23 -16.209 -5.794 1.637 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.754 -5.032 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.105 -4.116 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.768 -3.744 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.621 -6.004 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.894 -5.723 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.193 -4.392 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.806 -3.202 3.558 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.972 -3.543 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.910 -6.295 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.139 -7.047 6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.563 -4.516 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.214 -6.037 6.540 1.00 0.00 H new ATOM 367 N GLY A 24 -13.247 -7.476 1.123 1.00 0.00 N ATOM 368 CA GLY A 24 -12.233 -8.511 1.017 1.00 0.00 C ATOM 369 C GLY A 24 -12.052 -9.240 2.351 1.00 0.00 C ATOM 370 O GLY A 24 -12.988 -9.860 2.855 1.00 0.00 O ATOM 0 H GLY A 24 -13.788 -7.496 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.516 -9.225 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.286 -8.067 0.709 1.00 0.00 H new ATOM 374 N GLY A 25 -10.843 -9.141 2.883 1.00 0.00 N ATOM 375 CA GLY A 25 -10.528 -9.784 4.148 1.00 0.00 C ATOM 376 C GLY A 25 -9.953 -11.184 3.924 1.00 0.00 C ATOM 377 O GLY A 25 -10.698 -12.159 3.846 1.00 0.00 O ATOM 0 H GLY A 25 -10.070 -8.626 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.811 -9.177 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.427 -9.850 4.760 1.00 0.00 H new ATOM 381 N VAL A 26 -8.633 -11.238 3.827 1.00 0.00 N ATOM 382 CA VAL A 26 -7.949 -12.502 3.613 1.00 0.00 C ATOM 383 C VAL A 26 -6.521 -12.230 3.137 1.00 0.00 C ATOM 384 O VAL A 26 -5.563 -12.751 3.706 1.00 0.00 O ATOM 385 CB VAL A 26 -8.749 -13.371 2.640 1.00 0.00 C ATOM 386 CG1 VAL A 26 -7.831 -14.011 1.596 1.00 0.00 C ATOM 387 CG2 VAL A 26 -9.553 -14.435 3.390 1.00 0.00 C ATOM 0 H VAL A 26 -8.019 -10.426 3.893 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.879 -13.062 4.546 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.454 -12.726 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.424 -14.623 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.323 -13.230 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.091 -14.636 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.112 -15.039 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.873 -15.075 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.247 -13.950 4.077 1.00 0.00 H new ATOM 397 N PRO A 27 -6.420 -11.394 2.069 1.00 0.00 N ATOM 398 CA PRO A 27 -5.125 -11.047 1.510 1.00 0.00 C ATOM 399 C PRO A 27 -4.390 -10.048 2.406 1.00 0.00 C ATOM 400 O PRO A 27 -4.826 -9.774 3.524 1.00 0.00 O ATOM 401 CB PRO A 27 -5.429 -10.493 0.128 1.00 0.00 C ATOM 402 CG PRO A 27 -6.902 -10.118 0.143 1.00 0.00 C ATOM 403 CD PRO A 27 -7.532 -10.758 1.369 1.00 0.00 C ATOM 0 HA PRO A 27 -4.453 -11.903 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.807 -9.625 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.223 -11.234 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.020 -9.035 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.394 -10.466 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.021 -10.013 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.292 -11.487 1.088 1.00 0.00 H new ATOM 411 N SER A 28 -3.289 -9.530 1.883 1.00 0.00 N ATOM 412 CA SER A 28 -2.490 -8.567 2.622 1.00 0.00 C ATOM 413 C SER A 28 -2.591 -7.189 1.964 1.00 0.00 C ATOM 414 O SER A 28 -2.624 -6.170 2.652 1.00 0.00 O ATOM 415 CB SER A 28 -1.028 -9.011 2.702 1.00 0.00 C ATOM 416 OG SER A 28 -0.736 -9.666 3.933 1.00 0.00 O ATOM 0 H SER A 28 -2.931 -9.759 0.956 1.00 0.00 H new ATOM 0 HA SER A 28 -2.880 -8.507 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.807 -9.683 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.379 -8.143 2.590 1.00 0.00 H new ATOM 0 HG SER A 28 0.206 -9.936 3.945 1.00 0.00 H new ATOM 422 N LEU A 29 -2.637 -7.202 0.640 1.00 0.00 N ATOM 423 CA LEU A 29 -2.734 -5.966 -0.118 1.00 0.00 C ATOM 424 C LEU A 29 -3.726 -5.027 0.570 1.00 0.00 C ATOM 425 O LEU A 29 -3.410 -3.868 0.833 1.00 0.00 O ATOM 426 CB LEU A 29 -3.077 -6.260 -1.580 1.00 0.00 C ATOM 427 CG LEU A 29 -1.925 -6.128 -2.578 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.999 -7.220 -3.647 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.890 -4.727 -3.192 1.00 0.00 C ATOM 0 H LEU A 29 -2.609 -8.049 0.073 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.772 -5.454 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.472 -7.274 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.877 -5.587 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.988 -6.267 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.169 -7.104 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.939 -8.199 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.942 -7.136 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.062 -4.660 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.828 -4.535 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.755 -3.987 -2.403 1.00 0.00 H new ATOM 441 N ILE A 30 -4.907 -5.563 0.844 1.00 0.00 N ATOM 442 CA ILE A 30 -5.948 -4.788 1.496 1.00 0.00 C ATOM 443 C ILE A 30 -5.359 -4.076 2.715 1.00 0.00 C ATOM 444 O ILE A 30 -5.530 -2.868 2.877 1.00 0.00 O ATOM 445 CB ILE A 30 -7.151 -5.674 1.824 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.744 -6.286 0.553 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.197 -4.903 2.631 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.987 -7.118 0.873 1.00 0.00 C ATOM 0 H ILE A 30 -5.165 -6.525 0.626 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.324 -4.016 0.825 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.807 -6.499 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.003 -5.494 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.998 -6.913 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.041 -5.556 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.754 -4.557 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.542 -4.045 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.388 -7.541 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.719 -7.924 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.740 -6.482 1.339 1.00 0.00 H new ATOM 460 N ALA A 31 -4.676 -4.853 3.543 1.00 0.00 N ATOM 461 CA ALA A 31 -4.060 -4.312 4.742 1.00 0.00 C ATOM 462 C ALA A 31 -3.138 -3.154 4.359 1.00 0.00 C ATOM 463 O ALA A 31 -3.061 -2.154 5.071 1.00 0.00 O ATOM 464 CB ALA A 31 -3.319 -5.427 5.484 1.00 0.00 C ATOM 0 H ALA A 31 -4.536 -5.854 3.407 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.819 -3.919 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.857 -5.021 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.024 -6.211 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.548 -5.845 4.837 1.00 0.00 H new ATOM 470 N GLY A 32 -2.460 -3.326 3.233 1.00 0.00 N ATOM 471 CA GLY A 32 -1.546 -2.307 2.746 1.00 0.00 C ATOM 472 C GLY A 32 -2.305 -1.051 2.313 1.00 0.00 C ATOM 473 O GLY A 32 -1.777 0.056 2.395 1.00 0.00 O ATOM 0 H GLY A 32 -2.526 -4.156 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.830 -2.052 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.974 -2.699 1.905 1.00 0.00 H new ATOM 477 N LEU A 33 -3.532 -1.266 1.861 1.00 0.00 N ATOM 478 CA LEU A 33 -4.369 -0.165 1.415 1.00 0.00 C ATOM 479 C LEU A 33 -4.828 0.645 2.629 1.00 0.00 C ATOM 480 O LEU A 33 -4.772 1.874 2.617 1.00 0.00 O ATOM 481 CB LEU A 33 -5.520 -0.684 0.551 1.00 0.00 C ATOM 482 CG LEU A 33 -5.906 0.189 -0.645 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.420 1.554 -0.184 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.741 0.317 -1.629 1.00 0.00 C ATOM 0 H LEU A 33 -3.967 -2.186 1.794 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.801 0.512 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.253 -1.674 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.398 -0.806 1.185 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.723 -0.300 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.687 2.155 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.298 1.418 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.641 2.063 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.042 0.942 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.888 0.772 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.462 -0.672 -1.994 1.00 0.00 H new ATOM 496 N PHE A 34 -5.271 -0.076 3.649 1.00 0.00 N ATOM 497 CA PHE A 34 -5.740 0.561 4.868 1.00 0.00 C ATOM 498 C PHE A 34 -4.630 1.392 5.514 1.00 0.00 C ATOM 499 O PHE A 34 -4.828 2.566 5.823 1.00 0.00 O ATOM 500 CB PHE A 34 -6.148 -0.558 5.828 1.00 0.00 C ATOM 501 CG PHE A 34 -6.496 -0.073 7.237 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.648 0.618 7.452 1.00 0.00 C ATOM 503 CD2 PHE A 34 -5.655 -0.332 8.273 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.972 1.069 8.759 1.00 0.00 C ATOM 505 CE2 PHE A 34 -5.979 0.119 9.580 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.130 0.809 9.796 1.00 0.00 C ATOM 0 H PHE A 34 -5.315 -1.095 3.656 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.572 1.228 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.008 -1.083 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.335 -1.281 5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.316 0.824 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.741 -0.881 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.886 1.618 8.930 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.310 -0.086 10.403 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.376 1.151 10.790 1.00 0.00 H new ATOM 516 N VAL A 35 -3.485 0.750 5.699 1.00 0.00 N ATOM 517 CA VAL A 35 -2.343 1.415 6.303 1.00 0.00 C ATOM 518 C VAL A 35 -1.930 2.602 5.430 1.00 0.00 C ATOM 519 O VAL A 35 -1.607 3.672 5.943 1.00 0.00 O ATOM 520 CB VAL A 35 -1.209 0.412 6.523 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.727 -0.171 5.193 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.052 1.053 7.292 1.00 0.00 C ATOM 0 H VAL A 35 -3.324 -0.224 5.441 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.606 1.809 7.285 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.599 -0.408 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.079 -0.881 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.554 -0.681 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.363 0.633 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.741 0.319 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.336 1.900 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.407 1.397 8.263 1.00 0.00 H new ATOM 532 N GLY A 36 -1.954 2.373 4.125 1.00 0.00 N ATOM 533 CA GLY A 36 -1.586 3.410 3.176 1.00 0.00 C ATOM 534 C GLY A 36 -2.419 4.675 3.395 1.00 0.00 C ATOM 535 O GLY A 36 -1.878 5.778 3.446 1.00 0.00 O ATOM 0 H GLY A 36 -2.223 1.484 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.527 3.645 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.732 3.046 2.159 1.00 0.00 H new ATOM 539 N CYS A 37 -3.723 4.472 3.519 1.00 0.00 N ATOM 540 CA CYS A 37 -4.636 5.582 3.731 1.00 0.00 C ATOM 541 C CYS A 37 -4.262 6.266 5.047 1.00 0.00 C ATOM 542 O CYS A 37 -3.901 7.442 5.059 1.00 0.00 O ATOM 543 CB CYS A 37 -6.096 5.123 3.721 1.00 0.00 C ATOM 544 SG CYS A 37 -6.750 5.154 2.012 1.00 0.00 S ATOM 0 H CYS A 37 -4.168 3.555 3.477 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.542 6.295 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.172 4.115 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.694 5.772 4.360 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.989 4.761 2.014 1.00 0.00 H new ATOM 550 N LEU A 38 -4.361 5.501 6.125 1.00 0.00 N ATOM 551 CA LEU A 38 -4.037 6.019 7.443 1.00 0.00 C ATOM 552 C LEU A 38 -2.822 6.943 7.339 1.00 0.00 C ATOM 553 O LEU A 38 -2.815 8.033 7.909 1.00 0.00 O ATOM 554 CB LEU A 38 -3.855 4.873 8.439 1.00 0.00 C ATOM 555 CG LEU A 38 -3.588 5.281 9.890 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.326 4.359 10.863 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.087 5.334 10.177 1.00 0.00 C ATOM 0 H LEU A 38 -4.661 4.526 6.112 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.861 6.618 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.751 4.252 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.027 4.251 8.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.980 6.287 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.120 4.670 11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.398 4.416 10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.987 3.333 10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.925 5.626 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.649 4.351 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.616 6.062 9.517 1.00 0.00 H new ATOM 569 N ALA A 39 -1.822 6.473 6.607 1.00 0.00 N ATOM 570 CA ALA A 39 -0.604 7.243 6.422 1.00 0.00 C ATOM 571 C ALA A 39 -0.950 8.592 5.789 1.00 0.00 C ATOM 572 O ALA A 39 -0.799 9.636 6.423 1.00 0.00 O ATOM 573 CB ALA A 39 0.384 6.439 5.575 1.00 0.00 C ATOM 0 H ALA A 39 -1.831 5.569 6.135 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.126 7.441 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.298 7.016 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.620 5.503 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.061 6.224 4.603 1.00 0.00 H new ATOM 579 N GLY A 40 -1.409 8.528 4.548 1.00 0.00 N ATOM 580 CA GLY A 40 -1.778 9.732 3.823 1.00 0.00 C ATOM 581 C GLY A 40 -2.868 10.507 4.566 1.00 0.00 C ATOM 582 O GLY A 40 -2.592 11.534 5.185 1.00 0.00 O ATOM 0 H GLY A 40 -1.534 7.661 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.901 10.366 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.130 9.467 2.826 1.00 0.00 H new ATOM 586 N TYR A 41 -4.083 9.985 4.480 1.00 0.00 N ATOM 587 CA TYR A 41 -5.216 10.616 5.137 1.00 0.00 C ATOM 588 C TYR A 41 -4.817 11.170 6.506 1.00 0.00 C ATOM 589 O TYR A 41 -4.999 12.357 6.776 1.00 0.00 O ATOM 590 CB TYR A 41 -6.258 9.512 5.331 1.00 0.00 C ATOM 591 CG TYR A 41 -7.487 9.652 4.430 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.323 10.741 4.568 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.759 8.689 3.480 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.479 10.873 3.720 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.916 8.820 2.633 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.719 9.905 2.795 1.00 0.00 C ATOM 597 OH TYR A 41 -10.811 10.030 1.994 1.00 0.00 O ATOM 0 H TYR A 41 -4.308 9.133 3.966 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.592 11.447 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.789 8.546 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.581 9.510 6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.110 11.494 5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.104 7.837 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.141 11.721 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.141 8.073 1.886 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.856 9.267 1.381 1.00 0.00 H new ATOM 607 N GLY A 42 -4.280 10.286 7.334 1.00 0.00 N ATOM 608 CA GLY A 42 -3.854 10.672 8.668 1.00 0.00 C ATOM 609 C GLY A 42 -2.939 11.898 8.618 1.00 0.00 C ATOM 610 O GLY A 42 -3.197 12.897 9.287 1.00 0.00 O ATOM 0 H GLY A 42 -4.130 9.303 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.727 10.890 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.330 9.842 9.141 1.00 0.00 H new ATOM 614 N ALA A 43 -1.889 11.780 7.819 1.00 0.00 N ATOM 615 CA ALA A 43 -0.935 12.866 7.673 1.00 0.00 C ATOM 616 C ALA A 43 -1.687 14.163 7.368 1.00 0.00 C ATOM 617 O ALA A 43 -1.243 15.246 7.747 1.00 0.00 O ATOM 618 CB ALA A 43 0.080 12.511 6.584 1.00 0.00 C ATOM 0 H ALA A 43 -1.678 10.949 7.266 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.381 13.017 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.796 13.326 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.608 11.599 6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.440 12.355 5.639 1.00 0.00 H new ATOM 624 N TYR A 44 -2.812 14.011 6.686 1.00 0.00 N ATOM 625 CA TYR A 44 -3.630 15.156 6.325 1.00 0.00 C ATOM 626 C TYR A 44 -4.543 15.564 7.484 1.00 0.00 C ATOM 627 O TYR A 44 -4.836 16.745 7.662 1.00 0.00 O ATOM 628 CB TYR A 44 -4.494 14.704 5.146 1.00 0.00 C ATOM 629 CG TYR A 44 -5.019 15.852 4.283 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.177 16.512 4.641 1.00 0.00 C ATOM 631 CD2 TYR A 44 -4.334 16.229 3.145 1.00 0.00 C ATOM 632 CE1 TYR A 44 -6.671 17.593 3.829 1.00 0.00 C ATOM 633 CE2 TYR A 44 -4.829 17.310 2.332 1.00 0.00 C ATOM 634 CZ TYR A 44 -5.973 17.939 2.714 1.00 0.00 C ATOM 635 OH TYR A 44 -6.440 18.960 1.947 1.00 0.00 O ATOM 0 H TYR A 44 -3.177 13.111 6.373 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.003 16.013 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.911 14.029 4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.341 14.133 5.527 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.713 16.217 5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.427 15.714 2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.576 18.118 4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.304 17.614 1.439 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.840 19.097 1.184 1.00 0.00 H new ATOM 645 N ARG A 45 -4.967 14.563 8.241 1.00 0.00 N ATOM 646 CA ARG A 45 -5.841 14.803 9.377 1.00 0.00 C ATOM 647 C ARG A 45 -5.014 15.026 10.645 1.00 0.00 C ATOM 648 O ARG A 45 -4.883 16.155 11.115 1.00 0.00 O ATOM 649 CB ARG A 45 -6.793 13.626 9.598 1.00 0.00 C ATOM 650 CG ARG A 45 -8.251 14.086 9.563 1.00 0.00 C ATOM 651 CD ARG A 45 -9.041 13.325 8.495 1.00 0.00 C ATOM 652 NE ARG A 45 -9.538 12.046 9.049 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.287 11.171 8.364 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.630 11.432 7.096 1.00 0.00 N ATOM 655 NH2 ARG A 45 -10.693 10.035 8.948 1.00 0.00 N ATOM 0 H ARG A 45 -4.722 13.584 8.090 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.429 15.695 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.628 12.871 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.579 13.156 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.709 13.929 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.294 15.156 9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.878 13.931 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.407 13.134 7.629 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.295 11.816 10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.321 12.297 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.200 10.766 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.432 9.836 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.263 9.369 8.427 1.00 0.00 H new ATOM 669 N VAL A 46 -4.476 13.931 11.163 1.00 0.00 N ATOM 670 CA VAL A 46 -3.665 13.993 12.367 1.00 0.00 C ATOM 671 C VAL A 46 -2.352 14.715 12.056 1.00 0.00 C ATOM 672 O VAL A 46 -1.375 14.086 11.653 1.00 0.00 O ATOM 673 CB VAL A 46 -3.456 12.586 12.930 1.00 0.00 C ATOM 674 CG1 VAL A 46 -2.449 12.600 14.081 1.00 0.00 C ATOM 675 CG2 VAL A 46 -4.784 11.968 13.370 1.00 0.00 C ATOM 0 H VAL A 46 -4.586 12.996 10.771 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.174 14.566 13.142 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.046 11.965 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.319 11.587 14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.492 12.978 13.722 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.818 13.244 14.879 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.606 10.968 13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.236 12.590 14.143 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.457 11.905 12.515 1.00 0.00 H new ATOM 685 N SER A 47 -2.372 16.024 12.255 1.00 0.00 N ATOM 686 CA SER A 47 -1.196 16.838 12.001 1.00 0.00 C ATOM 687 C SER A 47 -1.042 17.081 10.498 1.00 0.00 C ATOM 688 O SER A 47 -1.788 16.521 9.696 1.00 0.00 O ATOM 689 CB SER A 47 0.064 16.175 12.562 1.00 0.00 C ATOM 690 OG SER A 47 -0.150 15.641 13.866 1.00 0.00 O ATOM 0 H SER A 47 -3.185 16.542 12.590 1.00 0.00 H new ATOM 0 HA SER A 47 -1.327 17.795 12.506 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.383 15.377 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.873 16.905 12.597 1.00 0.00 H new ATOM 0 HG SER A 47 0.677 15.225 14.189 1.00 0.00 H new ATOM 696 N ASN A 48 -0.071 17.917 10.162 1.00 0.00 N ATOM 697 CA ASN A 48 0.190 18.242 8.770 1.00 0.00 C ATOM 698 C ASN A 48 1.528 17.629 8.350 1.00 0.00 C ATOM 699 O ASN A 48 2.384 17.363 9.192 1.00 0.00 O ATOM 700 CB ASN A 48 0.277 19.755 8.564 1.00 0.00 C ATOM 701 CG ASN A 48 -1.114 20.392 8.585 1.00 0.00 C ATOM 702 OD1 ASN A 48 -2.124 19.746 8.361 1.00 0.00 O ATOM 703 ND2 ASN A 48 -1.109 21.693 8.864 1.00 0.00 N ATOM 0 H ASN A 48 0.545 18.380 10.830 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.629 17.844 8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.895 20.197 9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.764 19.969 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.987 22.210 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.227 22.173 9.042 1.00 0.00 H new ATOM 710 N ASP A 49 1.665 17.424 7.048 1.00 0.00 N ATOM 711 CA ASP A 49 2.884 16.848 6.507 1.00 0.00 C ATOM 712 C ASP A 49 2.797 16.824 4.979 1.00 0.00 C ATOM 713 O ASP A 49 2.868 15.760 4.366 1.00 0.00 O ATOM 714 CB ASP A 49 3.076 15.409 6.991 1.00 0.00 C ATOM 715 CG ASP A 49 4.350 14.724 6.492 1.00 0.00 C ATOM 716 OD1 ASP A 49 5.463 15.042 6.935 1.00 0.00 O ATOM 717 OD2 ASP A 49 4.163 13.814 5.596 1.00 0.00 O ATOM 0 H ASP A 49 0.953 17.646 6.353 1.00 0.00 H new ATOM 0 HA ASP A 49 3.723 17.457 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.083 15.406 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.216 14.818 6.676 1.00 0.00 H new ATOM 780 N VAL A 53 3.799 11.674 0.464 1.00 0.00 N ATOM 781 CA VAL A 53 4.820 11.407 -0.535 1.00 0.00 C ATOM 782 C VAL A 53 5.900 10.511 0.073 1.00 0.00 C ATOM 783 O VAL A 53 6.051 9.357 -0.326 1.00 0.00 O ATOM 784 CB VAL A 53 5.373 12.724 -1.082 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.375 12.471 -2.211 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.242 13.643 -1.548 1.00 0.00 C ATOM 0 HA VAL A 53 4.394 10.872 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 53 5.901 13.228 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.753 13.424 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.205 11.873 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.882 11.936 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.663 14.572 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.673 13.149 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.583 13.863 -0.708 1.00 0.00 H new ATOM 796 N LYS A 54 6.625 11.076 1.027 1.00 0.00 N ATOM 797 CA LYS A 54 7.687 10.342 1.694 1.00 0.00 C ATOM 798 C LYS A 54 7.072 9.290 2.619 1.00 0.00 C ATOM 799 O LYS A 54 7.532 8.151 2.662 1.00 0.00 O ATOM 800 CB LYS A 54 8.639 11.306 2.406 1.00 0.00 C ATOM 801 CG LYS A 54 9.896 10.579 2.887 1.00 0.00 C ATOM 802 CD LYS A 54 11.018 10.678 1.851 1.00 0.00 C ATOM 803 CE LYS A 54 12.275 11.298 2.463 1.00 0.00 C ATOM 804 NZ LYS A 54 13.010 12.087 1.448 1.00 0.00 N ATOM 0 H LYS A 54 6.498 12.034 1.354 1.00 0.00 H new ATOM 0 HA LYS A 54 8.297 9.808 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.918 12.113 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.131 11.763 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.230 11.009 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.664 9.531 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.249 9.686 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.685 11.280 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.001 11.938 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.919 10.513 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.861 12.501 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.288 11.467 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.398 12.848 1.090 1.00 0.00 H new ATOM 818 N VAL A 55 6.040 9.711 3.337 1.00 0.00 N ATOM 819 CA VAL A 55 5.357 8.819 4.259 1.00 0.00 C ATOM 820 C VAL A 55 5.173 7.452 3.597 1.00 0.00 C ATOM 821 O VAL A 55 5.533 6.426 4.173 1.00 0.00 O ATOM 822 CB VAL A 55 4.037 9.446 4.712 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.358 10.188 3.559 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.105 8.391 5.310 1.00 0.00 C ATOM 0 H VAL A 55 5.661 10.657 3.299 1.00 0.00 H new ATOM 0 HA VAL A 55 5.955 8.667 5.158 1.00 0.00 H new ATOM 0 HB VAL A 55 4.262 10.174 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.422 10.624 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.015 10.980 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.153 9.490 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.174 8.864 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.890 7.629 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.585 7.928 6.172 1.00 0.00 H new ATOM 834 N SER A 56 4.613 7.482 2.397 1.00 0.00 N ATOM 835 CA SER A 56 4.377 6.257 1.651 1.00 0.00 C ATOM 836 C SER A 56 5.648 5.407 1.625 1.00 0.00 C ATOM 837 O SER A 56 5.602 4.207 1.891 1.00 0.00 O ATOM 838 CB SER A 56 3.913 6.562 0.225 1.00 0.00 C ATOM 839 OG SER A 56 3.657 5.374 -0.518 1.00 0.00 O ATOM 0 H SER A 56 4.316 8.335 1.923 1.00 0.00 H new ATOM 0 HA SER A 56 3.585 5.699 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.009 7.170 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.674 7.152 -0.286 1.00 0.00 H new ATOM 0 HG SER A 56 3.362 5.611 -1.422 1.00 0.00 H new ATOM 845 N LEU A 57 6.754 6.062 1.302 1.00 0.00 N ATOM 846 CA LEU A 57 8.036 5.381 1.237 1.00 0.00 C ATOM 847 C LEU A 57 8.327 4.723 2.588 1.00 0.00 C ATOM 848 O LEU A 57 8.870 3.621 2.641 1.00 0.00 O ATOM 849 CB LEU A 57 9.131 6.343 0.772 1.00 0.00 C ATOM 850 CG LEU A 57 10.472 5.705 0.405 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.964 6.208 -0.954 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.507 5.931 1.508 1.00 0.00 C ATOM 0 H LEU A 57 6.789 7.057 1.082 1.00 0.00 H new ATOM 0 HA LEU A 57 8.008 4.585 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.762 6.890 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.303 7.075 1.561 1.00 0.00 H new ATOM 0 HG LEU A 57 10.325 4.628 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.919 5.739 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.234 5.953 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.090 7.290 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.451 5.467 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.657 7.001 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.151 5.486 2.437 1.00 0.00 H new ATOM 864 N PHE A 58 7.954 5.428 3.646 1.00 0.00 N ATOM 865 CA PHE A 58 8.168 4.927 4.993 1.00 0.00 C ATOM 866 C PHE A 58 7.164 3.825 5.334 1.00 0.00 C ATOM 867 O PHE A 58 7.405 3.015 6.228 1.00 0.00 O ATOM 868 CB PHE A 58 7.960 6.104 5.947 1.00 0.00 C ATOM 869 CG PHE A 58 7.519 5.695 7.354 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.451 5.414 8.303 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.195 5.611 7.654 1.00 0.00 C ATOM 872 CE1 PHE A 58 8.042 5.033 9.609 1.00 0.00 C ATOM 873 CE2 PHE A 58 5.786 5.231 8.960 1.00 0.00 C ATOM 874 CZ PHE A 58 6.719 4.950 9.910 1.00 0.00 C ATOM 0 H PHE A 58 7.505 6.342 3.598 1.00 0.00 H new ATOM 0 HA PHE A 58 9.170 4.507 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.889 6.669 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.212 6.774 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.502 5.480 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.455 5.833 6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.782 4.809 10.363 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.735 5.165 9.199 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.408 4.661 10.903 1.00 0.00 H new ATOM 884 N THR A 59 6.058 3.829 4.604 1.00 0.00 N ATOM 885 CA THR A 59 5.015 2.840 4.819 1.00 0.00 C ATOM 886 C THR A 59 5.425 1.495 4.216 1.00 0.00 C ATOM 887 O THR A 59 5.236 0.449 4.836 1.00 0.00 O ATOM 888 CB THR A 59 3.712 3.394 4.240 1.00 0.00 C ATOM 889 OG1 THR A 59 3.271 4.334 5.216 1.00 0.00 O ATOM 890 CG2 THR A 59 2.597 2.347 4.202 1.00 0.00 C ATOM 0 H THR A 59 5.861 4.502 3.863 1.00 0.00 H new ATOM 0 HA THR A 59 4.861 2.651 5.881 1.00 0.00 H new ATOM 0 HB THR A 59 3.893 3.769 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.789 5.162 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.694 2.792 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.909 1.506 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.392 1.996 5.214 1.00 0.00 H new ATOM 898 N ALA A 60 5.978 1.565 3.014 1.00 0.00 N ATOM 899 CA ALA A 60 6.415 0.366 2.320 1.00 0.00 C ATOM 900 C ALA A 60 7.732 -0.119 2.929 1.00 0.00 C ATOM 901 O ALA A 60 7.994 -1.320 2.977 1.00 0.00 O ATOM 902 CB ALA A 60 6.538 0.658 0.823 1.00 0.00 C ATOM 0 H ALA A 60 6.133 2.434 2.503 1.00 0.00 H new ATOM 0 HA ALA A 60 5.683 -0.433 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.866 -0.242 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.570 0.971 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.266 1.454 0.666 1.00 0.00 H new ATOM 908 N PHE A 61 8.527 0.841 3.379 1.00 0.00 N ATOM 909 CA PHE A 61 9.811 0.527 3.984 1.00 0.00 C ATOM 910 C PHE A 61 9.627 -0.219 5.307 1.00 0.00 C ATOM 911 O PHE A 61 10.195 -1.292 5.503 1.00 0.00 O ATOM 912 CB PHE A 61 10.515 1.858 4.256 1.00 0.00 C ATOM 913 CG PHE A 61 11.838 1.719 5.010 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.836 1.432 6.340 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.017 1.883 4.352 1.00 0.00 C ATOM 916 CE1 PHE A 61 13.065 1.303 7.040 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.245 1.754 5.052 1.00 0.00 C ATOM 918 CZ PHE A 61 14.243 1.467 6.382 1.00 0.00 C ATOM 0 H PHE A 61 8.307 1.836 3.337 1.00 0.00 H new ATOM 0 HA PHE A 61 10.390 -0.111 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.701 2.360 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.847 2.500 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.900 1.302 6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.019 2.111 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.064 1.075 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.181 1.884 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.177 1.370 6.915 1.00 0.00 H new ATOM 928 N PHE A 62 8.830 0.379 6.180 1.00 0.00 N ATOM 929 CA PHE A 62 8.564 -0.215 7.479 1.00 0.00 C ATOM 930 C PHE A 62 7.739 -1.496 7.337 1.00 0.00 C ATOM 931 O PHE A 62 8.098 -2.534 7.892 1.00 0.00 O ATOM 932 CB PHE A 62 7.759 0.809 8.283 1.00 0.00 C ATOM 933 CG PHE A 62 7.965 0.713 9.796 1.00 0.00 C ATOM 934 CD1 PHE A 62 9.181 0.995 10.335 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.932 0.348 10.601 1.00 0.00 C ATOM 936 CE1 PHE A 62 9.373 0.906 11.740 1.00 0.00 C ATOM 937 CE2 PHE A 62 7.123 0.259 12.005 1.00 0.00 C ATOM 938 CZ PHE A 62 8.340 0.540 12.545 1.00 0.00 C ATOM 0 H PHE A 62 8.360 1.269 6.013 1.00 0.00 H new ATOM 0 HA PHE A 62 9.503 -0.471 7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.032 1.811 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.700 0.678 8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.001 1.287 9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.966 0.126 10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.339 1.129 12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.303 -0.032 12.644 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.485 0.472 13.613 1.00 0.00 H new ATOM 948 N LEU A 63 6.650 -1.381 6.591 1.00 0.00 N ATOM 949 CA LEU A 63 5.772 -2.518 6.370 1.00 0.00 C ATOM 950 C LEU A 63 6.584 -3.680 5.795 1.00 0.00 C ATOM 951 O LEU A 63 6.612 -4.767 6.371 1.00 0.00 O ATOM 952 CB LEU A 63 4.580 -2.112 5.501 1.00 0.00 C ATOM 953 CG LEU A 63 3.433 -3.121 5.422 1.00 0.00 C ATOM 954 CD1 LEU A 63 2.258 -2.685 6.299 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.009 -3.358 3.971 1.00 0.00 C ATOM 0 H LEU A 63 6.356 -0.519 6.132 1.00 0.00 H new ATOM 0 HA LEU A 63 5.348 -2.861 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.183 -1.170 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.941 -1.922 4.490 1.00 0.00 H new ATOM 0 HG LEU A 63 3.790 -4.074 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.456 -3.420 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.586 -2.610 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.893 -1.715 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.192 -4.079 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.678 -2.418 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.855 -3.746 3.404 1.00 0.00 H new ATOM 967 N ALA A 64 7.226 -3.411 4.668 1.00 0.00 N ATOM 968 CA ALA A 64 8.037 -4.421 4.009 1.00 0.00 C ATOM 969 C ALA A 64 9.011 -5.027 5.022 1.00 0.00 C ATOM 970 O ALA A 64 9.093 -6.247 5.156 1.00 0.00 O ATOM 971 CB ALA A 64 8.755 -3.798 2.811 1.00 0.00 C ATOM 0 H ALA A 64 7.201 -2.508 4.194 1.00 0.00 H new ATOM 0 HA ALA A 64 7.411 -5.228 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.363 -4.556 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.019 -3.408 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.395 -2.985 3.153 1.00 0.00 H new ATOM 977 N THR A 65 9.725 -4.147 5.708 1.00 0.00 N ATOM 978 CA THR A 65 10.690 -4.579 6.705 1.00 0.00 C ATOM 979 C THR A 65 10.017 -5.477 7.745 1.00 0.00 C ATOM 980 O THR A 65 10.652 -6.368 8.306 1.00 0.00 O ATOM 981 CB THR A 65 11.339 -3.332 7.307 1.00 0.00 C ATOM 982 OG1 THR A 65 12.122 -2.799 6.243 1.00 0.00 O ATOM 983 CG2 THR A 65 12.365 -3.671 8.391 1.00 0.00 C ATOM 0 H THR A 65 9.655 -3.136 5.593 1.00 0.00 H new ATOM 0 HA THR A 65 11.476 -5.187 6.257 1.00 0.00 H new ATOM 0 HB THR A 65 10.566 -2.688 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.593 -2.141 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.796 -2.750 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.875 -4.217 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.156 -4.287 7.963 1.00 0.00 H new ATOM 991 N ILE A 66 8.738 -5.211 7.971 1.00 0.00 N ATOM 992 CA ILE A 66 7.972 -5.983 8.934 1.00 0.00 C ATOM 993 C ILE A 66 7.607 -7.337 8.321 1.00 0.00 C ATOM 994 O ILE A 66 7.472 -8.329 9.035 1.00 0.00 O ATOM 995 CB ILE A 66 6.762 -5.183 9.421 1.00 0.00 C ATOM 996 CG1 ILE A 66 7.197 -4.031 10.329 1.00 0.00 C ATOM 997 CG2 ILE A 66 5.740 -6.095 10.102 1.00 0.00 C ATOM 998 CD1 ILE A 66 6.083 -2.991 10.467 1.00 0.00 C ATOM 0 H ILE A 66 8.214 -4.472 7.503 1.00 0.00 H new ATOM 0 HA ILE A 66 8.570 -6.185 9.822 1.00 0.00 H new ATOM 0 HB ILE A 66 6.272 -4.742 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.461 -4.419 11.313 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.091 -3.559 9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.890 -5.501 10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.398 -6.850 9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.203 -6.584 10.959 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.418 -2.183 11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.838 -2.588 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.198 -3.460 10.898 1.00 0.00 H new ATOM 1010 N MET A 67 7.459 -7.333 7.004 1.00 0.00 N ATOM 1011 CA MET A 67 7.112 -8.549 6.287 1.00 0.00 C ATOM 1012 C MET A 67 8.363 -9.370 5.964 1.00 0.00 C ATOM 1013 O MET A 67 8.471 -10.527 6.367 1.00 0.00 O ATOM 1014 CB MET A 67 6.389 -8.187 4.989 1.00 0.00 C ATOM 1015 CG MET A 67 5.242 -9.161 4.711 1.00 0.00 C ATOM 1016 SD MET A 67 3.675 -8.323 4.882 1.00 0.00 S ATOM 1017 CE MET A 67 2.758 -9.562 5.782 1.00 0.00 C ATOM 0 H MET A 67 7.573 -6.508 6.415 1.00 0.00 H new ATOM 0 HA MET A 67 6.460 -9.150 6.921 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.000 -7.171 5.056 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.095 -8.204 4.158 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.337 -9.570 3.705 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.292 -10.002 5.403 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.748 -9.199 5.974 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.709 -10.478 5.193 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.256 -9.767 6.730 1.00 0.00 H new ATOM 1027 N GLY A 68 9.275 -8.739 5.240 1.00 0.00 N ATOM 1028 CA GLY A 68 10.513 -9.396 4.857 1.00 0.00 C ATOM 1029 C GLY A 68 11.445 -8.428 4.125 1.00 0.00 C ATOM 1030 O GLY A 68 10.985 -7.545 3.402 1.00 0.00 O ATOM 0 H GLY A 68 9.181 -7.779 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.012 -9.785 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.293 -10.249 4.215 1.00 0.00 H new ATOM 1231 N PRO A 79 6.739 -10.162 -2.572 1.00 0.00 N ATOM 1232 CA PRO A 79 7.780 -9.157 -2.436 1.00 0.00 C ATOM 1233 C PRO A 79 7.644 -8.078 -3.512 1.00 0.00 C ATOM 1234 O PRO A 79 7.548 -6.893 -3.199 1.00 0.00 O ATOM 1235 CB PRO A 79 9.086 -9.928 -2.530 1.00 0.00 C ATOM 1236 CG PRO A 79 8.739 -11.259 -3.177 1.00 0.00 C ATOM 1237 CD PRO A 79 7.228 -11.416 -3.138 1.00 0.00 C ATOM 0 HA PRO A 79 7.720 -8.615 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.819 -9.384 -3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.524 -10.076 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.100 -11.289 -4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.222 -12.079 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.822 -11.585 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.934 -12.268 -2.525 1.00 0.00 H new ATOM 1245 N ALA A 80 7.639 -8.528 -4.758 1.00 0.00 N ATOM 1246 CA ALA A 80 7.516 -7.616 -5.883 1.00 0.00 C ATOM 1247 C ALA A 80 6.210 -6.829 -5.755 1.00 0.00 C ATOM 1248 O ALA A 80 6.202 -5.606 -5.892 1.00 0.00 O ATOM 1249 CB ALA A 80 7.596 -8.404 -7.191 1.00 0.00 C ATOM 0 H ALA A 80 7.718 -9.512 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 80 8.335 -6.897 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.504 -7.720 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.554 -8.921 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.787 -9.134 -7.226 1.00 0.00 H new ATOM 1255 N GLY A 81 5.138 -7.562 -5.495 1.00 0.00 N ATOM 1256 CA GLY A 81 3.829 -6.948 -5.347 1.00 0.00 C ATOM 1257 C GLY A 81 3.924 -5.637 -4.563 1.00 0.00 C ATOM 1258 O GLY A 81 3.423 -4.606 -5.008 1.00 0.00 O ATOM 0 H GLY A 81 5.149 -8.576 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.399 -6.757 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.157 -7.635 -4.833 1.00 0.00 H new ATOM 1262 N LEU A 82 4.569 -5.721 -3.409 1.00 0.00 N ATOM 1263 CA LEU A 82 4.736 -4.554 -2.559 1.00 0.00 C ATOM 1264 C LEU A 82 5.249 -3.384 -3.401 1.00 0.00 C ATOM 1265 O LEU A 82 4.693 -2.288 -3.351 1.00 0.00 O ATOM 1266 CB LEU A 82 5.627 -4.887 -1.361 1.00 0.00 C ATOM 1267 CG LEU A 82 5.417 -4.031 -0.110 1.00 0.00 C ATOM 1268 CD1 LEU A 82 5.305 -2.549 -0.473 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.209 -4.518 0.691 1.00 0.00 C ATOM 0 H LEU A 82 4.982 -6.579 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 82 3.778 -4.248 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.467 -5.931 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.668 -4.793 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 82 6.292 -4.141 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.156 -1.963 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.221 -2.225 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.458 -2.402 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.082 -3.893 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.314 -4.458 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.369 -5.552 0.998 1.00 0.00 H new ATOM 1281 N VAL A 83 6.304 -3.657 -4.155 1.00 0.00 N ATOM 1282 CA VAL A 83 6.898 -2.640 -5.006 1.00 0.00 C ATOM 1283 C VAL A 83 5.838 -2.107 -5.972 1.00 0.00 C ATOM 1284 O VAL A 83 5.819 -0.917 -6.284 1.00 0.00 O ATOM 1285 CB VAL A 83 8.126 -3.208 -5.720 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.679 -2.209 -6.739 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.203 -3.620 -4.715 1.00 0.00 C ATOM 0 H VAL A 83 6.762 -4.567 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 83 7.246 -1.797 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 83 7.815 -4.101 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.551 -2.638 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.914 -1.987 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.966 -1.290 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.065 -4.020 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.509 -2.751 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.804 -4.383 -4.046 1.00 0.00 H new ATOM 1297 N ALA A 84 4.981 -3.013 -6.419 1.00 0.00 N ATOM 1298 CA ALA A 84 3.921 -2.649 -7.344 1.00 0.00 C ATOM 1299 C ALA A 84 2.932 -1.720 -6.638 1.00 0.00 C ATOM 1300 O ALA A 84 2.306 -0.874 -7.275 1.00 0.00 O ATOM 1301 CB ALA A 84 3.251 -3.917 -7.877 1.00 0.00 C ATOM 0 H ALA A 84 4.999 -3.999 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 84 4.327 -2.110 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.456 -3.644 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.990 -4.529 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.829 -4.482 -7.046 1.00 0.00 H new ATOM 1307 N GLY A 85 2.821 -1.908 -5.331 1.00 0.00 N ATOM 1308 CA GLY A 85 1.919 -1.097 -4.531 1.00 0.00 C ATOM 1309 C GLY A 85 2.466 0.321 -4.356 1.00 0.00 C ATOM 1310 O GLY A 85 1.751 1.297 -4.578 1.00 0.00 O ATOM 0 H GLY A 85 3.341 -2.611 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.940 -1.057 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.778 -1.559 -3.554 1.00 0.00 H new ATOM 1314 N LEU A 86 3.728 0.389 -3.960 1.00 0.00 N ATOM 1315 CA LEU A 86 4.379 1.671 -3.753 1.00 0.00 C ATOM 1316 C LEU A 86 4.305 2.491 -5.043 1.00 0.00 C ATOM 1317 O LEU A 86 3.959 3.671 -5.014 1.00 0.00 O ATOM 1318 CB LEU A 86 5.804 1.471 -3.232 1.00 0.00 C ATOM 1319 CG LEU A 86 6.743 2.671 -3.371 1.00 0.00 C ATOM 1320 CD1 LEU A 86 7.713 2.747 -2.190 1.00 0.00 C ATOM 1321 CD2 LEU A 86 7.476 2.641 -4.713 1.00 0.00 C ATOM 0 H LEU A 86 4.317 -0.423 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 86 3.860 2.241 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.749 1.198 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.247 0.625 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 86 6.141 3.580 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.369 3.608 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.150 2.850 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.312 1.837 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.137 3.505 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.065 1.727 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.750 2.670 -5.525 1.00 0.00 H new ATOM 1333 N SER A 87 4.636 1.832 -6.144 1.00 0.00 N ATOM 1334 CA SER A 87 4.611 2.485 -7.442 1.00 0.00 C ATOM 1335 C SER A 87 3.199 2.986 -7.749 1.00 0.00 C ATOM 1336 O SER A 87 2.998 4.174 -8.000 1.00 0.00 O ATOM 1337 CB SER A 87 5.089 1.538 -8.544 1.00 0.00 C ATOM 1338 OG SER A 87 6.368 1.911 -9.051 1.00 0.00 O ATOM 0 H SER A 87 4.923 0.853 -6.164 1.00 0.00 H new ATOM 0 HA SER A 87 5.292 3.335 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.136 0.522 -8.153 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.364 1.533 -9.358 1.00 0.00 H new ATOM 0 HG SER A 87 6.639 1.281 -9.751 1.00 0.00 H new ATOM 1344 N LEU A 88 2.255 2.056 -7.718 1.00 0.00 N ATOM 1345 CA LEU A 88 0.867 2.389 -7.990 1.00 0.00 C ATOM 1346 C LEU A 88 0.512 3.695 -7.278 1.00 0.00 C ATOM 1347 O LEU A 88 -0.067 4.597 -7.882 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.046 1.218 -7.620 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.664 0.453 -8.792 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -0.586 -1.058 -8.563 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.096 0.920 -9.058 1.00 0.00 C ATOM 0 H LEU A 88 2.424 1.072 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 88 0.716 2.556 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.525 0.515 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.853 1.597 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.083 0.673 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.032 -1.578 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.457 -1.357 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.127 -1.317 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.512 0.360 -9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.705 0.750 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.093 1.983 -9.298 1.00 0.00 H new ATOM 1363 N MET A 89 0.873 3.756 -6.005 1.00 0.00 N ATOM 1364 CA MET A 89 0.599 4.937 -5.204 1.00 0.00 C ATOM 1365 C MET A 89 1.319 6.162 -5.771 1.00 0.00 C ATOM 1366 O MET A 89 0.726 7.233 -5.895 1.00 0.00 O ATOM 1367 CB MET A 89 1.058 4.696 -3.765 1.00 0.00 C ATOM 1368 CG MET A 89 -0.014 3.953 -2.965 1.00 0.00 C ATOM 1369 SD MET A 89 -1.094 5.123 -2.157 1.00 0.00 S ATOM 1370 CE MET A 89 -2.421 4.034 -1.669 1.00 0.00 C ATOM 0 H MET A 89 1.353 3.006 -5.508 1.00 0.00 H new ATOM 0 HA MET A 89 -0.474 5.127 -5.225 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.982 4.118 -3.766 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.279 5.650 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 89 -0.593 3.309 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 89 0.456 3.307 -2.223 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.188 4.606 -1.147 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.855 3.569 -2.555 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.032 3.260 -1.007 1.00 0.00 H new ATOM 1380 N MET A 90 2.587 5.964 -6.100 1.00 0.00 N ATOM 1381 CA MET A 90 3.394 7.040 -6.651 1.00 0.00 C ATOM 1382 C MET A 90 2.682 7.714 -7.826 1.00 0.00 C ATOM 1383 O MET A 90 2.390 8.908 -7.777 1.00 0.00 O ATOM 1384 CB MET A 90 4.738 6.480 -7.122 1.00 0.00 C ATOM 1385 CG MET A 90 5.886 7.018 -6.265 1.00 0.00 C ATOM 1386 SD MET A 90 6.517 8.532 -6.970 1.00 0.00 S ATOM 1387 CE MET A 90 5.693 9.725 -5.929 1.00 0.00 C ATOM 0 H MET A 90 3.076 5.075 -5.996 1.00 0.00 H new ATOM 0 HA MET A 90 3.553 7.785 -5.872 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.721 5.391 -7.071 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.902 6.748 -8.166 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.538 7.198 -5.248 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.683 6.277 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.167 10.700 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.644 9.794 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.765 9.410 -4.888 1.00 0.00 H new ATOM 1397 N ILE A 91 2.422 6.919 -8.853 1.00 0.00 N ATOM 1398 CA ILE A 91 1.750 7.423 -10.038 1.00 0.00 C ATOM 1399 C ILE A 91 0.448 8.114 -9.626 1.00 0.00 C ATOM 1400 O ILE A 91 0.165 9.227 -10.067 1.00 0.00 O ATOM 1401 CB ILE A 91 1.553 6.302 -11.061 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.751 5.146 -10.460 1.00 0.00 C ATOM 1403 CG2 ILE A 91 2.896 5.835 -11.627 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.508 4.050 -11.499 1.00 0.00 C ATOM 0 H ILE A 91 2.665 5.929 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 91 2.366 8.172 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 91 0.972 6.698 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.288 4.731 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.204 5.516 -10.086 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.728 5.038 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.395 6.671 -12.117 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.523 5.463 -10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.064 3.240 -11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.050 4.463 -12.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.465 3.665 -11.852 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.308 7.426 -8.784 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.573 7.959 -8.307 1.00 0.00 C ATOM 1418 C LEU A 92 -1.337 9.336 -7.682 1.00 0.00 C ATOM 1419 O LEU A 92 -2.202 10.208 -7.748 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.253 6.964 -7.364 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.589 6.394 -7.842 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.410 4.988 -8.420 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.631 6.424 -6.721 1.00 0.00 C ATOM 0 H LEU A 92 -0.069 6.504 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.265 8.099 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.568 6.134 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.412 7.454 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.962 7.028 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.375 4.606 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.724 5.027 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.003 4.329 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.572 6.013 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.278 5.827 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.787 7.453 -6.396 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.162 9.488 -7.089 1.00 0.00 N ATOM 1436 CA ARG A 93 0.198 10.744 -6.452 1.00 0.00 C ATOM 1437 C ARG A 93 0.604 11.776 -7.507 1.00 0.00 C ATOM 1438 O ARG A 93 0.423 12.976 -7.307 1.00 0.00 O ATOM 1439 CB ARG A 93 1.352 10.551 -5.467 1.00 0.00 C ATOM 1440 CG ARG A 93 0.843 10.532 -4.024 1.00 0.00 C ATOM 1441 CD ARG A 93 0.709 9.098 -3.508 1.00 0.00 C ATOM 1442 NE ARG A 93 2.014 8.405 -3.594 1.00 0.00 N ATOM 1443 CZ ARG A 93 2.959 8.462 -2.646 1.00 0.00 C ATOM 1444 NH1 ARG A 93 2.750 9.180 -1.534 1.00 0.00 N ATOM 1445 NH2 ARG A 93 4.113 7.801 -2.810 1.00 0.00 N ATOM 0 H ARG A 93 0.553 8.763 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.675 11.101 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.870 9.617 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.078 11.355 -5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.529 11.089 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.123 11.034 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.359 9.105 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.037 8.560 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 93 2.206 7.849 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.871 9.683 -1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.469 9.223 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.272 7.255 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.833 7.844 -2.088 1.00 0.00 H new ATOM 1459 N LEU A 94 1.145 11.270 -8.605 1.00 0.00 N ATOM 1460 CA LEU A 94 1.578 12.133 -9.691 1.00 0.00 C ATOM 1461 C LEU A 94 0.384 12.942 -10.202 1.00 0.00 C ATOM 1462 O LEU A 94 0.372 14.168 -10.102 1.00 0.00 O ATOM 1463 CB LEU A 94 2.278 11.316 -10.779 1.00 0.00 C ATOM 1464 CG LEU A 94 3.739 11.676 -11.054 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.679 10.894 -10.133 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.085 11.475 -12.530 1.00 0.00 C ATOM 0 H LEU A 94 1.293 10.274 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 94 2.319 12.849 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.230 10.263 -10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.717 11.427 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 94 3.877 12.734 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.712 11.168 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.450 11.131 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.545 9.825 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.129 11.738 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.925 10.432 -12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.447 12.112 -13.143 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.591 12.223 -10.737 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.787 12.859 -11.264 1.00 0.00 C ATOM 1480 C VAL A 95 -2.407 13.744 -10.181 1.00 0.00 C ATOM 1481 O VAL A 95 -2.926 14.820 -10.476 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.753 11.797 -11.794 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.170 10.831 -10.683 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.977 12.446 -12.444 1.00 0.00 C ATOM 0 H VAL A 95 -0.578 11.206 -10.817 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.538 13.503 -12.107 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.232 11.222 -12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.856 10.087 -11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.287 10.332 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.664 11.385 -9.885 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.648 11.670 -12.812 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.499 13.057 -11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.657 13.074 -13.276 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.334 13.259 -8.950 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.881 13.993 -7.822 1.00 0.00 C ATOM 1496 C LEU A 96 -2.517 15.473 -7.957 1.00 0.00 C ATOM 1497 O LEU A 96 -3.373 16.343 -7.806 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.427 13.365 -6.503 1.00 0.00 C ATOM 1499 CG LEU A 96 -3.533 13.048 -5.495 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -4.003 14.316 -4.779 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.690 12.306 -6.167 1.00 0.00 C ATOM 0 H LEU A 96 -1.904 12.366 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.969 13.931 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.893 12.442 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.713 14.039 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.122 12.383 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.789 14.062 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.164 14.766 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.390 15.025 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.463 12.092 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.107 12.926 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.325 11.371 -6.591 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.245 15.713 -8.241 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.757 17.072 -8.397 1.00 0.00 C ATOM 1515 C LEU A 97 -1.797 17.898 -9.158 1.00 0.00 C ATOM 1516 O LEU A 97 -1.986 19.079 -8.872 1.00 0.00 O ATOM 1517 CB LEU A 97 0.626 17.073 -9.051 1.00 0.00 C ATOM 1518 CG LEU A 97 1.704 17.894 -8.339 1.00 0.00 C ATOM 1519 CD1 LEU A 97 3.099 17.527 -8.849 1.00 0.00 C ATOM 1520 CD2 LEU A 97 1.423 19.393 -8.465 1.00 0.00 C ATOM 0 H LEU A 97 -0.538 14.989 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.624 17.543 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.972 16.042 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.524 17.449 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 97 1.675 17.649 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.846 18.125 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.287 16.469 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.159 17.725 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.203 19.954 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.409 19.673 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.456 19.621 -8.016 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.443 17.244 -10.112 1.00 0.00 N ATOM 1533 CA LEU A 98 -3.459 17.903 -10.915 1.00 0.00 C ATOM 1534 C LEU A 98 -4.685 18.189 -10.046 1.00 0.00 C ATOM 1535 O LEU A 98 -5.173 19.317 -10.006 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.771 17.079 -12.166 1.00 0.00 C ATOM 1537 CG LEU A 98 -4.124 17.875 -13.423 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.928 18.698 -13.906 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -4.668 16.957 -14.519 1.00 0.00 C ATOM 0 H LEU A 98 -2.283 16.264 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.094 18.864 -11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.908 16.452 -12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.601 16.410 -11.939 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.917 18.579 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.207 19.254 -14.801 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.627 19.396 -13.124 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.097 18.031 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.911 17.549 -15.402 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.915 16.213 -14.777 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.566 16.455 -14.160 1.00 0.00 H new ATOM 1551 N LEU A 99 -5.147 17.147 -9.370 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.307 17.272 -8.504 1.00 0.00 C ATOM 1553 C LEU A 99 -6.112 18.467 -7.567 1.00 0.00 C ATOM 1554 O LEU A 99 -7.081 19.105 -7.160 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.574 15.955 -7.773 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.798 15.934 -6.854 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.866 14.977 -7.386 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -7.397 15.604 -5.415 1.00 0.00 C ATOM 0 H LEU A 99 -4.739 16.213 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.203 17.470 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.689 15.166 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.694 15.707 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.236 16.932 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.725 14.981 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.180 15.298 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.455 13.969 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.285 15.595 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.921 14.624 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.699 16.357 -5.050 1.00 0.00 H new