USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 10 SER OG : rot 36:sc= 1.17 USER MOD Set 1.2: A 12 SER OG : rot -122:sc= 1.29! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 33:sc= 0.0643 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 99:sc= 1.29 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.362 K(o=0.36,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0438 (180deg=-0.386) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -90:sc= 1.46 USER MOD Single : A 32 SER OG : rot 180:sc= 0.34 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.00324 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -130:sc= -0.268 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 55 SER OG : rot -80:sc= -0.436 USER MOD Single : A 58 LYS NZ :NH3+ 139:sc= -0.129 (180deg=-2.63!) USER MOD Single : A 59 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.9!) USER MOD Single : A 61 GLN :FLIP amide:sc=-0.00618 F(o=-1.4!,f=-0.0062) USER MOD Single : A 63 SER OG : rot -9:sc= 0.806 USER MOD Single : A 70 ASN : amide:sc= -0.385 K(o=-0.38,f=-2.7!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0466 K(o=-0.047,f=-2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -155:sc= 1.72 USER MOD Single : A 83 SER OG : rot 120:sc= -0.54 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 49:sc= 0.471 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0257 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.171 -1.628 -2.502 1.00 0.00 N ATOM 15 CA ASP A 2 -10.079 -3.106 -2.676 1.00 0.00 C ATOM 16 C ASP A 2 -8.652 -3.564 -2.367 1.00 0.00 C ATOM 17 O ASP A 2 -7.689 -2.913 -2.720 1.00 0.00 O ATOM 18 CB ASP A 2 -10.449 -3.490 -4.113 1.00 0.00 C ATOM 19 CG ASP A 2 -9.578 -2.713 -5.103 1.00 0.00 C ATOM 20 OD1 ASP A 2 -8.857 -1.834 -4.665 1.00 0.00 O ATOM 21 OD2 ASP A 2 -9.647 -3.012 -6.283 1.00 0.00 O ATOM 0 HA ASP A 2 -10.774 -3.593 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.312 -4.562 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.502 -3.275 -4.296 1.00 0.00 H new ATOM 26 N LEU A 3 -8.511 -4.680 -1.703 1.00 0.00 N ATOM 27 CA LEU A 3 -7.152 -5.181 -1.360 1.00 0.00 C ATOM 28 C LEU A 3 -6.498 -5.793 -2.598 1.00 0.00 C ATOM 29 O LEU A 3 -7.038 -6.690 -3.213 1.00 0.00 O ATOM 30 CB LEU A 3 -7.285 -6.243 -0.259 1.00 0.00 C ATOM 31 CG LEU A 3 -5.922 -6.880 0.042 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.898 -5.794 0.409 1.00 0.00 C ATOM 33 CD2 LEU A 3 -6.083 -7.855 1.213 1.00 0.00 C ATOM 0 H LEU A 3 -9.282 -5.267 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.530 -4.358 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.688 -5.788 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.991 -7.012 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.564 -7.411 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.935 -6.259 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.791 -5.099 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.241 -5.253 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.121 -8.315 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.441 -7.315 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.802 -8.629 0.946 1.00 0.00 H new ATOM 45 N VAL A 4 -5.335 -5.313 -2.966 1.00 0.00 N ATOM 46 CA VAL A 4 -4.634 -5.865 -4.168 1.00 0.00 C ATOM 47 C VAL A 4 -3.135 -5.988 -3.893 1.00 0.00 C ATOM 48 O VAL A 4 -2.609 -5.421 -2.956 1.00 0.00 O ATOM 49 CB VAL A 4 -4.863 -4.948 -5.364 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.353 -4.927 -5.704 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.397 -3.533 -5.021 1.00 0.00 C ATOM 0 H VAL A 4 -4.840 -4.562 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.036 -6.854 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.297 -5.316 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.522 -4.272 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.685 -5.936 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.917 -4.558 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.561 -2.878 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.962 -3.161 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.335 -3.549 -4.775 1.00 0.00 H new ATOM 61 N LYS A 5 -2.455 -6.745 -4.705 1.00 0.00 N ATOM 62 CA LYS A 5 -0.992 -6.950 -4.518 1.00 0.00 C ATOM 63 C LYS A 5 -0.218 -5.744 -5.061 1.00 0.00 C ATOM 64 O LYS A 5 -0.693 -5.020 -5.911 1.00 0.00 O ATOM 65 CB LYS A 5 -0.577 -8.217 -5.282 1.00 0.00 C ATOM 66 CG LYS A 5 -0.798 -9.454 -4.406 1.00 0.00 C ATOM 67 CD LYS A 5 -2.274 -9.552 -4.024 1.00 0.00 C ATOM 68 CE LYS A 5 -2.526 -10.865 -3.289 1.00 0.00 C ATOM 69 NZ LYS A 5 -3.959 -10.939 -2.890 1.00 0.00 N ATOM 0 H LYS A 5 -2.856 -7.238 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.767 -7.059 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.157 -8.304 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.472 -8.149 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.490 -10.352 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.183 -9.392 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.553 -8.710 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.896 -9.499 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.271 -11.709 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.888 -10.930 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.134 -11.833 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.187 -10.141 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.558 -10.895 -3.739 1.00 0.00 H new ATOM 83 N ILE A 6 0.980 -5.543 -4.578 1.00 0.00 N ATOM 84 CA ILE A 6 1.809 -4.403 -5.056 1.00 0.00 C ATOM 85 C ILE A 6 2.111 -4.587 -6.549 1.00 0.00 C ATOM 86 O ILE A 6 2.035 -3.658 -7.326 1.00 0.00 O ATOM 87 CB ILE A 6 3.118 -4.370 -4.263 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.816 -3.997 -2.807 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.062 -3.332 -4.870 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.065 -4.216 -1.952 1.00 0.00 C ATOM 0 H ILE A 6 1.421 -6.126 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 6 1.272 -3.466 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 6 3.591 -5.351 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.499 -2.956 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.993 -4.603 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.993 -3.311 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.274 -3.595 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.593 -2.349 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.849 -3.950 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.362 -5.264 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.876 -3.590 -2.325 1.00 0.00 H new ATOM 102 N ARG A 7 2.451 -5.781 -6.954 1.00 0.00 N ATOM 103 CA ARG A 7 2.756 -6.028 -8.393 1.00 0.00 C ATOM 104 C ARG A 7 1.492 -5.815 -9.230 1.00 0.00 C ATOM 105 O ARG A 7 1.557 -5.576 -10.419 1.00 0.00 O ATOM 106 CB ARG A 7 3.250 -7.466 -8.569 1.00 0.00 C ATOM 107 CG ARG A 7 4.658 -7.597 -7.985 1.00 0.00 C ATOM 108 CD ARG A 7 5.130 -9.049 -8.097 1.00 0.00 C ATOM 109 NE ARG A 7 6.529 -9.148 -7.594 1.00 0.00 N ATOM 110 CZ ARG A 7 7.081 -10.316 -7.402 1.00 0.00 C ATOM 111 NH1 ARG A 7 6.411 -11.408 -7.652 1.00 0.00 N ATOM 112 NH2 ARG A 7 8.308 -10.390 -6.960 1.00 0.00 N ATOM 0 H ARG A 7 2.531 -6.598 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 7 3.529 -5.334 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.572 -8.158 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.257 -7.733 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.345 -6.939 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.660 -7.283 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.476 -9.702 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.079 -9.382 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 7 7.059 -8.299 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.453 -11.351 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.845 -12.319 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.832 -9.537 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.742 -11.301 -6.809 1.00 0.00 H new ATOM 126 N ASP A 8 0.341 -5.905 -8.620 1.00 0.00 N ATOM 127 CA ASP A 8 -0.929 -5.711 -9.376 1.00 0.00 C ATOM 128 C ASP A 8 -1.284 -4.221 -9.414 1.00 0.00 C ATOM 129 O ASP A 8 -2.275 -3.827 -9.993 1.00 0.00 O ATOM 130 CB ASP A 8 -2.052 -6.479 -8.674 1.00 0.00 C ATOM 131 CG ASP A 8 -1.818 -7.985 -8.819 1.00 0.00 C ATOM 132 OD1 ASP A 8 -0.997 -8.361 -9.640 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.466 -8.736 -8.110 1.00 0.00 O ATOM 0 H ASP A 8 0.226 -6.105 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.806 -6.080 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.087 -6.207 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.016 -6.208 -9.105 1.00 0.00 H new ATOM 138 N VAL A 9 -0.489 -3.391 -8.793 1.00 0.00 N ATOM 139 CA VAL A 9 -0.793 -1.930 -8.785 1.00 0.00 C ATOM 140 C VAL A 9 -0.577 -1.334 -10.180 1.00 0.00 C ATOM 141 O VAL A 9 0.443 -1.538 -10.805 1.00 0.00 O ATOM 142 CB VAL A 9 0.121 -1.229 -7.775 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.037 0.290 -7.895 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.270 -1.665 -6.363 1.00 0.00 C ATOM 0 H VAL A 9 0.357 -3.661 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.835 -1.783 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 9 1.158 -1.499 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.616 0.782 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.233 0.605 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.072 0.565 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.376 -1.170 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.307 -1.391 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.158 -2.745 -6.272 1.00 0.00 H new ATOM 154 N SER A 10 -1.537 -0.592 -10.662 1.00 0.00 N ATOM 155 CA SER A 10 -1.402 0.032 -12.006 1.00 0.00 C ATOM 156 C SER A 10 -2.425 1.163 -12.152 1.00 0.00 C ATOM 157 O SER A 10 -3.348 1.290 -11.370 1.00 0.00 O ATOM 158 CB SER A 10 -1.640 -1.018 -13.090 1.00 0.00 C ATOM 159 OG SER A 10 -2.876 -1.673 -12.841 1.00 0.00 O ATOM 0 H SER A 10 -2.413 -0.391 -10.179 1.00 0.00 H new ATOM 0 HA SER A 10 -0.396 0.437 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.656 -0.547 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.826 -1.742 -13.097 1.00 0.00 H new ATOM 0 HG SER A 10 -3.519 -1.030 -12.476 1.00 0.00 H new ATOM 165 N LEU A 11 -2.268 1.979 -13.156 1.00 0.00 N ATOM 166 CA LEU A 11 -3.217 3.106 -13.373 1.00 0.00 C ATOM 167 C LEU A 11 -4.581 2.540 -13.767 1.00 0.00 C ATOM 168 O LEU A 11 -5.543 3.263 -13.933 1.00 0.00 O ATOM 169 CB LEU A 11 -2.676 3.992 -14.503 1.00 0.00 C ATOM 170 CG LEU A 11 -1.585 4.933 -13.965 1.00 0.00 C ATOM 171 CD1 LEU A 11 -2.193 6.029 -13.067 1.00 0.00 C ATOM 172 CD2 LEU A 11 -0.558 4.121 -13.167 1.00 0.00 C ATOM 0 H LEU A 11 -1.516 1.913 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.322 3.696 -12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.269 3.369 -15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.488 4.575 -14.938 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.097 5.417 -14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.400 6.680 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.908 6.617 -13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.702 5.566 -12.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.216 4.787 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.055 3.626 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.104 3.371 -13.815 1.00 0.00 H new ATOM 184 N SER A 12 -4.670 1.251 -13.913 1.00 0.00 N ATOM 185 CA SER A 12 -5.965 0.630 -14.283 1.00 0.00 C ATOM 186 C SER A 12 -6.979 0.871 -13.173 1.00 0.00 C ATOM 187 O SER A 12 -8.162 0.992 -13.425 1.00 0.00 O ATOM 188 CB SER A 12 -5.773 -0.871 -14.464 1.00 0.00 C ATOM 189 OG SER A 12 -5.283 -1.429 -13.252 1.00 0.00 O ATOM 0 H SER A 12 -3.896 0.598 -13.791 1.00 0.00 H new ATOM 0 HA SER A 12 -6.325 1.071 -15.212 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.718 -1.340 -14.738 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.073 -1.065 -15.277 1.00 0.00 H new ATOM 0 HG SER A 12 -4.430 -1.881 -13.421 1.00 0.00 H new ATOM 195 N THR A 13 -6.529 0.936 -11.935 1.00 0.00 N ATOM 196 CA THR A 13 -7.477 1.162 -10.796 1.00 0.00 C ATOM 197 C THR A 13 -7.185 2.523 -10.137 1.00 0.00 C ATOM 198 O THR A 13 -6.039 2.855 -9.889 1.00 0.00 O ATOM 199 CB THR A 13 -7.291 0.053 -9.761 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.906 -0.118 -9.490 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.880 -1.248 -10.312 1.00 0.00 C ATOM 0 H THR A 13 -5.549 0.842 -11.669 1.00 0.00 H new ATOM 0 HA THR A 13 -8.501 1.154 -11.171 1.00 0.00 H new ATOM 0 HB THR A 13 -7.802 0.320 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.448 0.745 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.751 -2.045 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.942 -1.109 -10.515 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.367 -1.518 -11.235 1.00 0.00 H new ATOM 209 N PRO A 14 -8.201 3.317 -9.854 1.00 0.00 N ATOM 210 CA PRO A 14 -8.011 4.655 -9.216 1.00 0.00 C ATOM 211 C PRO A 14 -7.648 4.541 -7.733 1.00 0.00 C ATOM 212 O PRO A 14 -6.654 5.081 -7.288 1.00 0.00 O ATOM 213 CB PRO A 14 -9.377 5.343 -9.388 1.00 0.00 C ATOM 214 CG PRO A 14 -10.370 4.226 -9.483 1.00 0.00 C ATOM 215 CD PRO A 14 -9.631 3.036 -10.104 1.00 0.00 C ATOM 0 HA PRO A 14 -7.189 5.208 -9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.598 5.996 -8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.395 5.964 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.760 3.969 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.222 4.516 -10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.937 2.096 -9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.839 2.953 -11.171 1.00 0.00 H new ATOM 223 N TYR A 15 -8.458 3.853 -6.964 1.00 0.00 N ATOM 224 CA TYR A 15 -8.185 3.704 -5.501 1.00 0.00 C ATOM 225 C TYR A 15 -7.915 2.238 -5.164 1.00 0.00 C ATOM 226 O TYR A 15 -8.614 1.351 -5.607 1.00 0.00 O ATOM 227 CB TYR A 15 -9.405 4.186 -4.715 1.00 0.00 C ATOM 228 CG TYR A 15 -9.553 5.676 -4.907 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.774 6.559 -4.150 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.465 6.175 -5.844 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.909 7.940 -4.327 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.600 7.557 -6.022 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.822 8.440 -5.264 1.00 0.00 C ATOM 234 OH TYR A 15 -9.955 9.802 -5.438 1.00 0.00 O ATOM 0 H TYR A 15 -9.303 3.385 -7.291 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.310 4.297 -5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.302 3.671 -5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.288 3.952 -3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.068 6.174 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.065 5.494 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.309 8.621 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.305 7.942 -6.744 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.630 9.980 -6.126 1.00 0.00 H new ATOM 244 N VAL A 16 -6.898 1.981 -4.381 1.00 0.00 N ATOM 245 CA VAL A 16 -6.568 0.573 -4.004 1.00 0.00 C ATOM 246 C VAL A 16 -6.122 0.519 -2.544 1.00 0.00 C ATOM 247 O VAL A 16 -5.730 1.514 -1.967 1.00 0.00 O ATOM 248 CB VAL A 16 -5.438 0.056 -4.894 1.00 0.00 C ATOM 249 CG1 VAL A 16 -5.930 -0.035 -6.339 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.240 1.009 -4.820 1.00 0.00 C ATOM 0 H VAL A 16 -6.280 2.689 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.454 -0.048 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.132 -0.932 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.125 -0.404 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.777 -0.719 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.239 0.953 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.438 0.635 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.542 2.000 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.887 1.071 -3.790 1.00 0.00 H new ATOM 260 N SER A 17 -6.173 -0.645 -1.950 1.00 0.00 N ATOM 261 CA SER A 17 -5.743 -0.804 -0.527 1.00 0.00 C ATOM 262 C SER A 17 -4.528 -1.731 -0.485 1.00 0.00 C ATOM 263 O SER A 17 -4.505 -2.759 -1.133 1.00 0.00 O ATOM 264 CB SER A 17 -6.886 -1.418 0.281 1.00 0.00 C ATOM 265 OG SER A 17 -6.413 -1.755 1.577 1.00 0.00 O ATOM 0 H SER A 17 -6.498 -1.503 -2.395 1.00 0.00 H new ATOM 0 HA SER A 17 -5.484 0.166 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.714 -0.714 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.267 -2.306 -0.223 1.00 0.00 H new ATOM 0 HG SER A 17 -6.663 -1.050 2.210 1.00 0.00 H new ATOM 271 N VAL A 18 -3.513 -1.371 0.263 1.00 0.00 N ATOM 272 CA VAL A 18 -2.285 -2.229 0.338 1.00 0.00 C ATOM 273 C VAL A 18 -1.835 -2.375 1.789 1.00 0.00 C ATOM 274 O VAL A 18 -2.222 -1.614 2.654 1.00 0.00 O ATOM 275 CB VAL A 18 -1.162 -1.587 -0.477 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.547 -1.586 -1.955 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.943 -0.142 -0.010 1.00 0.00 C ATOM 0 H VAL A 18 -3.480 -0.521 0.825 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.517 -3.214 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.243 -2.156 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.748 -1.129 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.701 -2.611 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.467 -1.017 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.142 0.311 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.861 0.429 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.670 -0.138 1.045 1.00 0.00 H new ATOM 287 N ILE A 19 -1.012 -3.354 2.058 1.00 0.00 N ATOM 288 CA ILE A 19 -0.515 -3.571 3.447 1.00 0.00 C ATOM 289 C ILE A 19 0.961 -3.959 3.401 1.00 0.00 C ATOM 290 O ILE A 19 1.382 -4.718 2.552 1.00 0.00 O ATOM 291 CB ILE A 19 -1.323 -4.689 4.106 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.857 -4.863 5.551 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.113 -5.996 3.339 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.810 -5.809 6.281 1.00 0.00 C ATOM 0 H ILE A 19 -0.660 -4.018 1.368 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.629 -2.655 4.026 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.382 -4.431 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.157 -5.263 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.829 -3.897 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.690 -6.791 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.444 -5.870 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.055 -6.259 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.479 -5.934 7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.816 -5.391 6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.815 -6.778 5.781 1.00 0.00 H new ATOM 306 N GLY A 20 1.750 -3.446 4.303 1.00 0.00 N ATOM 307 CA GLY A 20 3.196 -3.795 4.296 1.00 0.00 C ATOM 308 C GLY A 20 3.944 -2.942 5.318 1.00 0.00 C ATOM 309 O GLY A 20 3.346 -2.269 6.134 1.00 0.00 O ATOM 0 H GLY A 20 1.458 -2.804 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.325 -4.852 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.612 -3.635 3.302 1.00 0.00 H new ATOM 313 N LYS A 21 5.255 -2.970 5.280 1.00 0.00 N ATOM 314 CA LYS A 21 6.065 -2.168 6.250 1.00 0.00 C ATOM 315 C LYS A 21 6.684 -0.975 5.529 1.00 0.00 C ATOM 316 O LYS A 21 7.232 -1.103 4.451 1.00 0.00 O ATOM 317 CB LYS A 21 7.163 -3.054 6.840 1.00 0.00 C ATOM 318 CG LYS A 21 8.170 -3.433 5.750 1.00 0.00 C ATOM 319 CD LYS A 21 9.102 -4.536 6.267 1.00 0.00 C ATOM 320 CE LYS A 21 10.014 -3.985 7.368 1.00 0.00 C ATOM 321 NZ LYS A 21 11.120 -4.953 7.627 1.00 0.00 N ATOM 0 H LYS A 21 5.801 -3.517 4.615 1.00 0.00 H new ATOM 0 HA LYS A 21 5.427 -1.803 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.670 -2.529 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.724 -3.954 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.644 -3.776 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.752 -2.558 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.513 -5.368 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.705 -4.927 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.423 -3.020 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.441 -3.818 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.740 -4.580 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.720 -5.864 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.672 -5.091 6.756 1.00 0.00 H new ATOM 335 N ILE A 22 6.579 0.190 6.118 1.00 0.00 N ATOM 336 CA ILE A 22 7.141 1.421 5.478 1.00 0.00 C ATOM 337 C ILE A 22 8.556 1.680 6.000 1.00 0.00 C ATOM 338 O ILE A 22 8.797 1.683 7.191 1.00 0.00 O ATOM 339 CB ILE A 22 6.231 2.615 5.808 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.939 2.515 4.986 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.943 3.933 5.475 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.105 1.312 5.441 1.00 0.00 C ATOM 0 H ILE A 22 6.126 0.343 7.019 1.00 0.00 H new ATOM 0 HA ILE A 22 7.188 1.285 4.398 1.00 0.00 H new ATOM 0 HB ILE A 22 5.996 2.596 6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.358 3.431 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.181 2.418 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.288 4.771 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.859 4.010 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.189 3.955 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.192 1.256 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.682 0.397 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.847 1.426 6.494 1.00 0.00 H new ATOM 354 N THR A 23 9.497 1.894 5.112 1.00 0.00 N ATOM 355 CA THR A 23 10.903 2.155 5.547 1.00 0.00 C ATOM 356 C THR A 23 11.531 3.250 4.680 1.00 0.00 C ATOM 357 O THR A 23 11.131 3.475 3.554 1.00 0.00 O ATOM 358 CB THR A 23 11.716 0.869 5.406 1.00 0.00 C ATOM 359 OG1 THR A 23 11.779 0.499 4.035 1.00 0.00 O ATOM 360 CG2 THR A 23 11.047 -0.248 6.208 1.00 0.00 C ATOM 0 H THR A 23 9.350 1.899 4.103 1.00 0.00 H new ATOM 0 HA THR A 23 10.901 2.485 6.586 1.00 0.00 H new ATOM 0 HB THR A 23 12.725 1.032 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.302 -0.325 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.627 -1.166 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.999 0.037 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.038 -0.413 5.830 1.00 0.00 H new ATOM 368 N GLY A 24 12.524 3.922 5.200 1.00 0.00 N ATOM 369 CA GLY A 24 13.199 4.997 4.419 1.00 0.00 C ATOM 370 C GLY A 24 12.315 6.243 4.374 1.00 0.00 C ATOM 371 O GLY A 24 11.753 6.579 3.354 1.00 0.00 O ATOM 0 H GLY A 24 12.898 3.771 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.160 5.239 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.403 4.649 3.406 1.00 0.00 H new ATOM 375 N ILE A 25 12.182 6.929 5.477 1.00 0.00 N ATOM 376 CA ILE A 25 11.329 8.151 5.500 1.00 0.00 C ATOM 377 C ILE A 25 12.100 9.347 4.944 1.00 0.00 C ATOM 378 O ILE A 25 13.217 9.619 5.336 1.00 0.00 O ATOM 379 CB ILE A 25 10.907 8.437 6.942 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.280 7.174 7.548 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.901 9.590 6.975 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.128 6.668 6.668 1.00 0.00 C ATOM 0 H ILE A 25 12.628 6.695 6.364 1.00 0.00 H new ATOM 0 HA ILE A 25 10.448 7.986 4.880 1.00 0.00 H new ATOM 0 HB ILE A 25 11.783 8.721 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.038 6.397 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.911 7.390 8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.606 9.786 8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.358 10.484 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.021 9.322 6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.696 5.772 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.363 7.440 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.506 6.432 5.673 1.00 0.00 H new ATOM 394 N HIS A 26 11.498 10.063 4.029 1.00 0.00 N ATOM 395 CA HIS A 26 12.162 11.258 3.424 1.00 0.00 C ATOM 396 C HIS A 26 11.171 12.419 3.419 1.00 0.00 C ATOM 397 O HIS A 26 10.001 12.242 3.146 1.00 0.00 O ATOM 398 CB HIS A 26 12.578 10.932 1.990 1.00 0.00 C ATOM 399 CG HIS A 26 13.679 9.911 2.017 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.426 8.554 2.143 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.044 10.033 1.940 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.613 7.919 2.139 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.632 8.774 2.018 1.00 0.00 N ATOM 0 H HIS A 26 10.563 9.868 3.671 1.00 0.00 H new ATOM 0 HA HIS A 26 13.046 11.529 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.725 10.550 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.915 11.835 1.482 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.508 8.117 2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.580 10.965 1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.727 6.848 2.223 1.00 0.00 H new ATOM 411 N LYS A 27 11.628 13.604 3.728 1.00 0.00 N ATOM 412 CA LYS A 27 10.717 14.790 3.759 1.00 0.00 C ATOM 413 C LYS A 27 11.023 15.713 2.579 1.00 0.00 C ATOM 414 O LYS A 27 12.165 15.988 2.271 1.00 0.00 O ATOM 415 CB LYS A 27 10.939 15.555 5.064 1.00 0.00 C ATOM 416 CG LYS A 27 9.961 16.729 5.140 1.00 0.00 C ATOM 417 CD LYS A 27 10.125 17.445 6.480 1.00 0.00 C ATOM 418 CE LYS A 27 9.124 18.598 6.563 1.00 0.00 C ATOM 419 NZ LYS A 27 9.482 19.640 5.558 1.00 0.00 N ATOM 0 H LYS A 27 12.600 13.804 3.962 1.00 0.00 H new ATOM 0 HA LYS A 27 9.683 14.453 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.794 14.891 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.965 15.919 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.145 17.423 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.937 16.371 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.962 16.747 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.142 17.823 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.114 18.231 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.129 19.027 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.001 20.531 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.511 19.790 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.184 19.327 4.612 1.00 0.00 H new ATOM 433 N LYS A 28 10.003 16.199 1.925 1.00 0.00 N ATOM 434 CA LYS A 28 10.211 17.118 0.769 1.00 0.00 C ATOM 435 C LYS A 28 9.040 18.099 0.703 1.00 0.00 C ATOM 436 O LYS A 28 7.954 17.804 1.158 1.00 0.00 O ATOM 437 CB LYS A 28 10.280 16.313 -0.532 1.00 0.00 C ATOM 438 CG LYS A 28 10.564 17.263 -1.695 1.00 0.00 C ATOM 439 CD LYS A 28 10.729 16.465 -2.988 1.00 0.00 C ATOM 440 CE LYS A 28 11.028 17.430 -4.137 1.00 0.00 C ATOM 441 NZ LYS A 28 11.204 16.660 -5.399 1.00 0.00 N ATOM 0 H LYS A 28 9.027 15.997 2.144 1.00 0.00 H new ATOM 0 HA LYS A 28 11.147 17.662 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.062 15.557 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.340 15.786 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.748 17.978 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.468 17.838 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.538 15.743 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.822 15.899 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.213 18.146 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.929 18.003 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.407 17.316 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.995 15.994 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.333 16.132 -5.608 1.00 0.00 H new ATOM 455 N GLU A 29 9.255 19.264 0.144 1.00 0.00 N ATOM 456 CA GLU A 29 8.158 20.281 0.041 1.00 0.00 C ATOM 457 C GLU A 29 7.813 20.520 -1.427 1.00 0.00 C ATOM 458 O GLU A 29 8.672 20.476 -2.285 1.00 0.00 O ATOM 459 CB GLU A 29 8.627 21.587 0.679 1.00 0.00 C ATOM 460 CG GLU A 29 8.695 21.401 2.194 1.00 0.00 C ATOM 461 CD GLU A 29 9.255 22.665 2.844 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.512 23.616 2.124 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.417 22.661 4.053 1.00 0.00 O ATOM 0 H GLU A 29 10.149 19.558 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 29 7.271 19.917 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.606 21.867 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.941 22.396 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.702 21.187 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.325 20.546 2.437 1.00 0.00 H new ATOM 470 N TYR A 30 6.558 20.765 -1.724 1.00 0.00 N ATOM 471 CA TYR A 30 6.150 21.002 -3.143 1.00 0.00 C ATOM 472 C TYR A 30 5.145 22.153 -3.198 1.00 0.00 C ATOM 473 O TYR A 30 4.522 22.497 -2.213 1.00 0.00 O ATOM 474 CB TYR A 30 5.509 19.730 -3.711 1.00 0.00 C ATOM 475 CG TYR A 30 4.186 19.451 -3.026 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.159 19.001 -1.699 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.985 19.632 -3.726 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.932 18.735 -1.075 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.761 19.364 -3.103 1.00 0.00 C ATOM 480 CZ TYR A 30 1.734 18.916 -1.778 1.00 0.00 C ATOM 481 OH TYR A 30 0.526 18.649 -1.163 1.00 0.00 O ATOM 0 H TYR A 30 5.800 20.811 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 30 7.027 21.259 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.353 19.842 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.182 18.884 -3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.083 18.859 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.004 19.979 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.910 18.390 -0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.837 19.503 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 30 0.284 17.711 -1.310 1.00 0.00 H new ATOM 491 N GLU A 31 4.993 22.758 -4.346 1.00 0.00 N ATOM 492 CA GLU A 31 4.041 23.900 -4.484 1.00 0.00 C ATOM 493 C GLU A 31 2.665 23.391 -4.921 1.00 0.00 C ATOM 494 O GLU A 31 2.425 23.139 -6.084 1.00 0.00 O ATOM 495 CB GLU A 31 4.594 24.877 -5.521 1.00 0.00 C ATOM 496 CG GLU A 31 5.810 25.588 -4.926 1.00 0.00 C ATOM 497 CD GLU A 31 6.454 26.486 -5.981 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.964 26.498 -7.098 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.429 27.143 -5.657 1.00 0.00 O ATOM 0 H GLU A 31 5.491 22.508 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 31 3.930 24.404 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.875 24.344 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.831 25.603 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.509 26.183 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.533 24.854 -4.570 1.00 0.00 H new ATOM 506 N SER A 32 1.761 23.245 -3.988 1.00 0.00 N ATOM 507 CA SER A 32 0.395 22.757 -4.327 1.00 0.00 C ATOM 508 C SER A 32 -0.424 23.895 -4.938 1.00 0.00 C ATOM 509 O SER A 32 0.112 24.793 -5.548 1.00 0.00 O ATOM 510 CB SER A 32 -0.297 22.261 -3.058 1.00 0.00 C ATOM 511 OG SER A 32 -1.439 21.494 -3.414 1.00 0.00 O ATOM 0 H SER A 32 1.913 23.445 -2.999 1.00 0.00 H new ATOM 0 HA SER A 32 0.473 21.941 -5.046 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.391 21.657 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.592 23.107 -2.437 1.00 0.00 H new ATOM 0 HG SER A 32 -1.884 21.173 -2.602 1.00 0.00 H new ATOM 517 N ASP A 33 -1.722 23.850 -4.773 1.00 0.00 N ATOM 518 CA ASP A 33 -2.605 24.913 -5.341 1.00 0.00 C ATOM 519 C ASP A 33 -2.150 26.299 -4.866 1.00 0.00 C ATOM 520 O ASP A 33 -2.760 26.903 -4.008 1.00 0.00 O ATOM 521 CB ASP A 33 -4.040 24.653 -4.875 1.00 0.00 C ATOM 522 CG ASP A 33 -5.009 25.526 -5.671 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.541 26.376 -6.411 1.00 0.00 O ATOM 524 OD2 ASP A 33 -6.205 25.328 -5.530 1.00 0.00 O ATOM 0 H ASP A 33 -2.212 23.114 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.551 24.889 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.290 23.601 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.131 24.870 -3.811 1.00 0.00 H new ATOM 529 N GLY A 34 -1.080 26.803 -5.425 1.00 0.00 N ATOM 530 CA GLY A 34 -0.577 28.145 -5.022 1.00 0.00 C ATOM 531 C GLY A 34 -0.191 28.121 -3.546 1.00 0.00 C ATOM 532 O GLY A 34 -0.103 29.151 -2.908 1.00 0.00 O ATOM 0 H GLY A 34 -0.531 26.337 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.285 28.420 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.344 28.900 -5.196 1.00 0.00 H new ATOM 536 N THR A 35 0.031 26.954 -2.989 1.00 0.00 N ATOM 537 CA THR A 35 0.402 26.870 -1.539 1.00 0.00 C ATOM 538 C THR A 35 1.481 25.808 -1.332 1.00 0.00 C ATOM 539 O THR A 35 1.387 24.707 -1.828 1.00 0.00 O ATOM 540 CB THR A 35 -0.838 26.511 -0.720 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.814 27.529 -0.880 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.456 26.396 0.755 1.00 0.00 C ATOM 0 H THR A 35 -0.028 26.058 -3.473 1.00 0.00 H new ATOM 0 HA THR A 35 0.791 27.834 -1.212 1.00 0.00 H new ATOM 0 HB THR A 35 -1.243 25.559 -1.064 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.197 27.476 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.339 26.140 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.298 25.618 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.054 27.348 1.102 1.00 0.00 H new ATOM 550 N THR A 36 2.506 26.134 -0.593 1.00 0.00 N ATOM 551 CA THR A 36 3.592 25.147 -0.344 1.00 0.00 C ATOM 552 C THR A 36 3.140 24.156 0.726 1.00 0.00 C ATOM 553 O THR A 36 2.684 24.545 1.782 1.00 0.00 O ATOM 554 CB THR A 36 4.838 25.884 0.141 1.00 0.00 C ATOM 555 OG1 THR A 36 5.087 26.994 -0.709 1.00 0.00 O ATOM 556 CG2 THR A 36 6.039 24.942 0.112 1.00 0.00 C ATOM 0 H THR A 36 2.637 27.044 -0.150 1.00 0.00 H new ATOM 0 HA THR A 36 3.819 24.610 -1.265 1.00 0.00 H new ATOM 0 HB THR A 36 4.679 26.231 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.885 27.470 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.926 25.472 0.459 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.848 24.089 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.202 24.591 -0.907 1.00 0.00 H new ATOM 564 N LYS A 37 3.257 22.876 0.462 1.00 0.00 N ATOM 565 CA LYS A 37 2.827 21.851 1.466 1.00 0.00 C ATOM 566 C LYS A 37 3.911 20.787 1.621 1.00 0.00 C ATOM 567 O LYS A 37 4.585 20.424 0.677 1.00 0.00 O ATOM 568 CB LYS A 37 1.537 21.191 0.986 1.00 0.00 C ATOM 569 CG LYS A 37 0.412 22.230 0.976 1.00 0.00 C ATOM 570 CD LYS A 37 -0.869 21.612 0.399 1.00 0.00 C ATOM 571 CE LYS A 37 -1.577 20.771 1.467 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.874 20.275 0.930 1.00 0.00 N ATOM 0 H LYS A 37 3.632 22.496 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 37 2.661 22.336 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.676 20.778 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.275 20.360 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.228 22.589 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.709 23.094 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.534 22.400 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.626 20.990 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.947 19.931 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.747 21.369 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.354 19.704 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.475 21.084 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.700 19.690 0.088 1.00 0.00 H new ATOM 586 N SER A 38 4.085 20.287 2.813 1.00 0.00 N ATOM 587 CA SER A 38 5.123 19.248 3.047 1.00 0.00 C ATOM 588 C SER A 38 4.557 17.866 2.712 1.00 0.00 C ATOM 589 O SER A 38 3.387 17.595 2.921 1.00 0.00 O ATOM 590 CB SER A 38 5.531 19.280 4.518 1.00 0.00 C ATOM 591 OG SER A 38 4.615 18.500 5.273 1.00 0.00 O ATOM 0 H SER A 38 3.549 20.556 3.638 1.00 0.00 H new ATOM 0 HA SER A 38 5.987 19.446 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.542 18.891 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.540 20.307 4.883 1.00 0.00 H new ATOM 0 HG SER A 38 4.873 18.516 6.218 1.00 0.00 H new ATOM 597 N VAL A 39 5.387 16.985 2.211 1.00 0.00 N ATOM 598 CA VAL A 39 4.916 15.609 1.871 1.00 0.00 C ATOM 599 C VAL A 39 5.975 14.590 2.291 1.00 0.00 C ATOM 600 O VAL A 39 7.160 14.796 2.114 1.00 0.00 O ATOM 601 CB VAL A 39 4.649 15.511 0.364 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.970 15.515 -0.413 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.895 14.213 0.071 1.00 0.00 C ATOM 0 H VAL A 39 6.374 17.161 2.023 1.00 0.00 H new ATOM 0 HA VAL A 39 3.989 15.397 2.404 1.00 0.00 H new ATOM 0 HB VAL A 39 4.053 16.369 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.764 15.445 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.510 16.439 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.577 14.664 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.702 14.138 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.496 13.362 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.948 14.212 0.611 1.00 0.00 H new ATOM 613 N TYR A 40 5.547 13.492 2.851 1.00 0.00 N ATOM 614 CA TYR A 40 6.505 12.440 3.300 1.00 0.00 C ATOM 615 C TYR A 40 6.548 11.325 2.263 1.00 0.00 C ATOM 616 O TYR A 40 5.527 10.889 1.772 1.00 0.00 O ATOM 617 CB TYR A 40 6.027 11.876 4.638 1.00 0.00 C ATOM 618 CG TYR A 40 6.152 12.943 5.696 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.140 13.898 5.852 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.282 12.979 6.518 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.260 14.890 6.832 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.402 13.969 7.499 1.00 0.00 C ATOM 623 CZ TYR A 40 6.393 14.925 7.656 1.00 0.00 C ATOM 624 OH TYR A 40 6.513 15.902 8.623 1.00 0.00 O ATOM 0 H TYR A 40 4.564 13.276 3.019 1.00 0.00 H new ATOM 0 HA TYR A 40 7.502 12.866 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.992 11.545 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.620 11.004 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.267 13.869 5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.062 12.243 6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.480 15.628 6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.274 13.995 8.135 1.00 0.00 H new ATOM 0 HH TYR A 40 7.357 15.782 9.106 1.00 0.00 H new ATOM 634 N GLN A 41 7.725 10.863 1.923 1.00 0.00 N ATOM 635 CA GLN A 41 7.855 9.771 0.908 1.00 0.00 C ATOM 636 C GLN A 41 8.712 8.649 1.478 1.00 0.00 C ATOM 637 O GLN A 41 9.494 8.848 2.387 1.00 0.00 O ATOM 638 CB GLN A 41 8.520 10.328 -0.350 1.00 0.00 C ATOM 639 CG GLN A 41 7.545 11.266 -1.063 1.00 0.00 C ATOM 640 CD GLN A 41 8.223 11.870 -2.292 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.192 12.591 -2.172 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.751 11.601 -3.479 1.00 0.00 N ATOM 0 H GLN A 41 8.608 11.198 2.308 1.00 0.00 H new ATOM 0 HA GLN A 41 6.867 9.384 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.432 10.864 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.810 9.513 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.650 10.719 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.225 12.058 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.937 10.995 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.197 11.997 -4.307 1.00 0.00 H new ATOM 651 N GLY A 42 8.565 7.466 0.952 1.00 0.00 N ATOM 652 CA GLY A 42 9.371 6.328 1.466 1.00 0.00 C ATOM 653 C GLY A 42 9.096 5.093 0.616 1.00 0.00 C ATOM 654 O GLY A 42 8.496 5.178 -0.436 1.00 0.00 O ATOM 0 H GLY A 42 7.924 7.239 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.432 6.576 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.119 6.130 2.508 1.00 0.00 H new ATOM 658 N TYR A 43 9.535 3.944 1.065 1.00 0.00 N ATOM 659 CA TYR A 43 9.310 2.684 0.290 1.00 0.00 C ATOM 660 C TYR A 43 8.565 1.678 1.157 1.00 0.00 C ATOM 661 O TYR A 43 8.814 1.566 2.340 1.00 0.00 O ATOM 662 CB TYR A 43 10.660 2.095 -0.115 1.00 0.00 C ATOM 663 CG TYR A 43 11.324 3.023 -1.097 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.082 4.105 -0.636 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.178 2.803 -2.470 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.696 4.969 -1.551 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.789 3.665 -3.385 1.00 0.00 C ATOM 668 CZ TYR A 43 12.549 4.749 -2.927 1.00 0.00 C ATOM 669 OH TYR A 43 13.151 5.601 -3.829 1.00 0.00 O ATOM 0 H TYR A 43 10.043 3.823 1.941 1.00 0.00 H new ATOM 0 HA TYR A 43 8.720 2.905 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.291 1.962 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.523 1.110 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.193 4.274 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.593 1.967 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.282 5.804 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.675 3.495 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 43 12.950 5.306 -4.742 1.00 0.00 H new ATOM 679 N ILE A 44 7.656 0.940 0.571 1.00 0.00 N ATOM 680 CA ILE A 44 6.885 -0.079 1.347 1.00 0.00 C ATOM 681 C ILE A 44 7.117 -1.447 0.721 1.00 0.00 C ATOM 682 O ILE A 44 7.255 -1.567 -0.482 1.00 0.00 O ATOM 683 CB ILE A 44 5.393 0.252 1.306 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.633 -0.748 2.180 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.881 0.164 -0.133 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.212 -0.239 2.420 1.00 0.00 C ATOM 0 H ILE A 44 7.413 1.000 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 44 7.219 -0.078 2.385 1.00 0.00 H new ATOM 0 HB ILE A 44 5.235 1.264 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.604 -1.723 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.148 -0.881 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.817 0.401 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.424 0.874 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.036 -0.846 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.671 -0.951 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.252 0.727 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.699 -0.129 1.465 1.00 0.00 H new ATOM 698 N GLU A 45 7.178 -2.475 1.534 1.00 0.00 N ATOM 699 CA GLU A 45 7.418 -3.859 1.003 1.00 0.00 C ATOM 700 C GLU A 45 6.373 -4.816 1.573 1.00 0.00 C ATOM 701 O GLU A 45 5.840 -4.603 2.643 1.00 0.00 O ATOM 702 CB GLU A 45 8.811 -4.332 1.430 1.00 0.00 C ATOM 703 CG GLU A 45 9.081 -5.718 0.837 1.00 0.00 C ATOM 704 CD GLU A 45 10.504 -6.157 1.181 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.107 -5.527 2.034 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.966 -7.117 0.587 1.00 0.00 O ATOM 0 H GLU A 45 7.072 -2.417 2.547 1.00 0.00 H new ATOM 0 HA GLU A 45 7.347 -3.844 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.567 -3.625 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.877 -4.370 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.363 -6.438 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.949 -5.693 -0.245 1.00 0.00 H new ATOM 713 N ASP A 46 6.076 -5.875 0.860 1.00 0.00 N ATOM 714 CA ASP A 46 5.065 -6.856 1.355 1.00 0.00 C ATOM 715 C ASP A 46 5.481 -8.275 0.946 1.00 0.00 C ATOM 716 O ASP A 46 6.650 -8.595 0.876 1.00 0.00 O ATOM 717 CB ASP A 46 3.698 -6.525 0.753 1.00 0.00 C ATOM 718 CG ASP A 46 2.604 -7.243 1.545 1.00 0.00 C ATOM 719 OD1 ASP A 46 2.685 -7.244 2.762 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.705 -7.782 0.921 1.00 0.00 O ATOM 0 H ASP A 46 6.491 -6.101 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 46 5.005 -6.800 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.530 -5.448 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.665 -6.831 -0.293 1.00 0.00 H new ATOM 725 N ASP A 47 4.525 -9.129 0.694 1.00 0.00 N ATOM 726 CA ASP A 47 4.842 -10.534 0.313 1.00 0.00 C ATOM 727 C ASP A 47 5.114 -10.647 -1.194 1.00 0.00 C ATOM 728 O ASP A 47 5.518 -11.689 -1.672 1.00 0.00 O ATOM 729 CB ASP A 47 3.646 -11.415 0.677 1.00 0.00 C ATOM 730 CG ASP A 47 4.013 -12.888 0.498 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.910 -13.343 1.188 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.387 -13.537 -0.322 1.00 0.00 O ATOM 0 H ASP A 47 3.530 -8.910 0.737 1.00 0.00 H new ATOM 0 HA ASP A 47 5.737 -10.855 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.346 -11.228 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.793 -11.164 0.046 1.00 0.00 H new ATOM 737 N THR A 48 4.891 -9.596 -1.948 1.00 0.00 N ATOM 738 CA THR A 48 5.132 -9.654 -3.428 1.00 0.00 C ATOM 739 C THR A 48 6.371 -8.832 -3.789 1.00 0.00 C ATOM 740 O THR A 48 7.369 -9.365 -4.225 1.00 0.00 O ATOM 741 CB THR A 48 3.917 -9.081 -4.161 1.00 0.00 C ATOM 742 OG1 THR A 48 3.729 -7.727 -3.775 1.00 0.00 O ATOM 743 CG2 THR A 48 2.671 -9.894 -3.803 1.00 0.00 C ATOM 0 H THR A 48 4.552 -8.698 -1.602 1.00 0.00 H new ATOM 0 HA THR A 48 5.290 -10.691 -3.724 1.00 0.00 H new ATOM 0 HB THR A 48 4.084 -9.133 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.794 -7.588 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.807 -9.484 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.816 -10.933 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.501 -9.845 -2.727 1.00 0.00 H new ATOM 751 N ALA A 49 6.315 -7.539 -3.615 1.00 0.00 N ATOM 752 CA ALA A 49 7.494 -6.694 -3.958 1.00 0.00 C ATOM 753 C ALA A 49 7.425 -5.379 -3.187 1.00 0.00 C ATOM 754 O ALA A 49 6.938 -5.328 -2.076 1.00 0.00 O ATOM 755 CB ALA A 49 7.493 -6.402 -5.456 1.00 0.00 C ATOM 0 H ALA A 49 5.507 -7.033 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 49 8.407 -7.225 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.355 -5.784 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.545 -7.340 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.578 -5.874 -5.723 1.00 0.00 H new ATOM 761 N ARG A 50 7.917 -4.311 -3.768 1.00 0.00 N ATOM 762 CA ARG A 50 7.889 -2.991 -3.066 1.00 0.00 C ATOM 763 C ARG A 50 7.549 -1.873 -4.051 1.00 0.00 C ATOM 764 O ARG A 50 7.778 -1.984 -5.239 1.00 0.00 O ATOM 765 CB ARG A 50 9.259 -2.724 -2.437 1.00 0.00 C ATOM 766 CG ARG A 50 10.339 -2.659 -3.524 1.00 0.00 C ATOM 767 CD ARG A 50 11.702 -2.425 -2.868 1.00 0.00 C ATOM 768 NE ARG A 50 12.762 -2.382 -3.919 1.00 0.00 N ATOM 769 CZ ARG A 50 13.050 -1.259 -4.524 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.400 -0.166 -4.226 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.987 -1.231 -5.432 1.00 0.00 N ATOM 0 H ARG A 50 8.336 -4.297 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 50 7.125 -3.017 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.235 -1.786 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.499 -3.512 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.352 -3.587 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.117 -1.855 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.692 -1.490 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.915 -3.221 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 50 13.265 -3.234 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.665 -0.186 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.628 0.708 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.493 -2.084 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.213 -0.356 -5.905 1.00 0.00 H new ATOM 785 N ILE A 51 7.000 -0.792 -3.558 1.00 0.00 N ATOM 786 CA ILE A 51 6.640 0.347 -4.460 1.00 0.00 C ATOM 787 C ILE A 51 6.825 1.678 -3.721 1.00 0.00 C ATOM 788 O ILE A 51 6.885 1.728 -2.506 1.00 0.00 O ATOM 789 CB ILE A 51 5.186 0.203 -4.912 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.820 1.373 -5.827 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.266 0.201 -3.691 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.505 1.069 -6.546 1.00 0.00 C ATOM 0 H ILE A 51 6.785 -0.648 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 51 7.292 0.333 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 51 5.066 -0.735 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.724 2.288 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.614 1.541 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.231 0.098 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.527 -0.634 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.384 1.137 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.245 1.903 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.617 0.164 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.714 0.923 -5.811 1.00 0.00 H new ATOM 804 N ARG A 52 6.920 2.756 -4.455 1.00 0.00 N ATOM 805 CA ARG A 52 7.108 4.092 -3.816 1.00 0.00 C ATOM 806 C ARG A 52 5.790 4.577 -3.211 1.00 0.00 C ATOM 807 O ARG A 52 4.727 4.333 -3.744 1.00 0.00 O ATOM 808 CB ARG A 52 7.575 5.095 -4.873 1.00 0.00 C ATOM 809 CG ARG A 52 8.996 4.745 -5.311 1.00 0.00 C ATOM 810 CD ARG A 52 9.471 5.736 -6.375 1.00 0.00 C ATOM 811 NE ARG A 52 10.855 5.377 -6.794 1.00 0.00 N ATOM 812 CZ ARG A 52 11.428 6.009 -7.782 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.790 6.957 -8.414 1.00 0.00 N ATOM 814 NH2 ARG A 52 12.643 5.692 -8.140 1.00 0.00 N ATOM 0 H ARG A 52 6.875 2.768 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 52 7.854 4.007 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.903 5.076 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.546 6.107 -4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.667 4.770 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.024 3.730 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.801 5.715 -7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.450 6.751 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 52 11.357 4.634 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.841 7.206 -8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.241 7.449 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.143 4.952 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.092 6.185 -8.912 1.00 0.00 H new ATOM 828 N ILE A 53 5.857 5.270 -2.099 1.00 0.00 N ATOM 829 CA ILE A 53 4.614 5.789 -1.442 1.00 0.00 C ATOM 830 C ILE A 53 4.802 7.256 -1.054 1.00 0.00 C ATOM 831 O ILE A 53 5.905 7.713 -0.813 1.00 0.00 O ATOM 832 CB ILE A 53 4.319 4.960 -0.193 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.526 4.990 0.755 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.030 3.517 -0.606 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.135 4.379 2.101 1.00 0.00 C ATOM 0 H ILE A 53 6.725 5.500 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 53 3.779 5.711 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 53 3.454 5.378 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.357 4.435 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.866 6.016 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.819 2.920 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.168 3.495 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.898 3.106 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.993 4.401 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.317 4.953 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.816 3.347 1.953 1.00 0.00 H new ATOM 847 N SER A 54 3.722 7.992 -0.985 1.00 0.00 N ATOM 848 CA SER A 54 3.807 9.432 -0.608 1.00 0.00 C ATOM 849 C SER A 54 2.583 9.811 0.223 1.00 0.00 C ATOM 850 O SER A 54 1.487 9.362 -0.041 1.00 0.00 O ATOM 851 CB SER A 54 3.845 10.281 -1.878 1.00 0.00 C ATOM 852 OG SER A 54 4.030 11.644 -1.524 1.00 0.00 O ATOM 0 H SER A 54 2.779 7.653 -1.175 1.00 0.00 H new ATOM 0 HA SER A 54 4.710 9.608 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.655 9.949 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.917 10.161 -2.438 1.00 0.00 H new ATOM 0 HG SER A 54 4.057 12.192 -2.336 1.00 0.00 H new ATOM 858 N SER A 55 2.761 10.636 1.227 1.00 0.00 N ATOM 859 CA SER A 55 1.606 11.056 2.083 1.00 0.00 C ATOM 860 C SER A 55 1.644 12.572 2.263 1.00 0.00 C ATOM 861 O SER A 55 2.689 13.158 2.462 1.00 0.00 O ATOM 862 CB SER A 55 1.708 10.368 3.445 1.00 0.00 C ATOM 863 OG SER A 55 3.058 10.398 3.888 1.00 0.00 O ATOM 0 H SER A 55 3.660 11.038 1.492 1.00 0.00 H new ATOM 0 HA SER A 55 0.668 10.771 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.065 10.870 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.360 9.338 3.371 1.00 0.00 H new ATOM 0 HG SER A 55 3.564 9.686 3.444 1.00 0.00 H new ATOM 869 N PHE A 56 0.509 13.215 2.177 1.00 0.00 N ATOM 870 CA PHE A 56 0.473 14.703 2.322 1.00 0.00 C ATOM 871 C PHE A 56 0.155 15.104 3.766 1.00 0.00 C ATOM 872 O PHE A 56 -0.840 14.693 4.331 1.00 0.00 O ATOM 873 CB PHE A 56 -0.600 15.259 1.390 1.00 0.00 C ATOM 874 CG PHE A 56 -0.161 15.053 -0.041 1.00 0.00 C ATOM 875 CD1 PHE A 56 0.795 15.904 -0.607 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.707 14.011 -0.800 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.205 15.714 -1.932 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.298 13.821 -2.125 1.00 0.00 C ATOM 879 CZ PHE A 56 0.659 14.672 -2.690 1.00 0.00 C ATOM 0 H PHE A 56 -0.396 12.775 2.012 1.00 0.00 H new ATOM 0 HA PHE A 56 1.451 15.110 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.551 14.757 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.757 16.319 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.217 16.708 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.444 13.354 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.942 16.371 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.721 13.018 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.976 14.524 -3.712 1.00 0.00 H new ATOM 889 N GLY A 57 0.988 15.924 4.357 1.00 0.00 N ATOM 890 CA GLY A 57 0.729 16.378 5.755 1.00 0.00 C ATOM 891 C GLY A 57 0.942 15.232 6.747 1.00 0.00 C ATOM 892 O GLY A 57 1.537 15.411 7.790 1.00 0.00 O ATOM 0 H GLY A 57 1.836 16.298 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.393 17.207 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.292 16.752 5.838 1.00 0.00 H new ATOM 896 N LYS A 58 0.447 14.062 6.448 1.00 0.00 N ATOM 897 CA LYS A 58 0.611 12.926 7.399 1.00 0.00 C ATOM 898 C LYS A 58 2.051 12.405 7.380 1.00 0.00 C ATOM 899 O LYS A 58 2.654 12.244 6.339 1.00 0.00 O ATOM 900 CB LYS A 58 -0.353 11.806 7.011 1.00 0.00 C ATOM 901 CG LYS A 58 -1.788 12.272 7.270 1.00 0.00 C ATOM 902 CD LYS A 58 -2.760 11.103 7.081 1.00 0.00 C ATOM 903 CE LYS A 58 -2.847 10.718 5.602 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.040 9.849 5.390 1.00 0.00 N ATOM 0 H LYS A 58 -0.061 13.844 5.591 1.00 0.00 H new ATOM 0 HA LYS A 58 0.389 13.273 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.225 11.546 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.139 10.907 7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.874 12.667 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.045 13.083 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.428 10.247 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.748 11.379 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.920 11.613 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.942 10.194 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.515 10.121 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.739 8.855 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.699 9.964 6.186 1.00 0.00 H new ATOM 918 N GLN A 59 2.601 12.145 8.540 1.00 0.00 N ATOM 919 CA GLN A 59 4.002 11.636 8.630 1.00 0.00 C ATOM 920 C GLN A 59 4.001 10.108 8.728 1.00 0.00 C ATOM 921 O GLN A 59 3.024 9.504 9.121 1.00 0.00 O ATOM 922 CB GLN A 59 4.665 12.222 9.880 1.00 0.00 C ATOM 923 CG GLN A 59 6.118 11.750 9.958 1.00 0.00 C ATOM 924 CD GLN A 59 6.841 12.501 11.076 1.00 0.00 C ATOM 925 OE1 GLN A 59 6.375 13.522 11.539 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.972 12.035 11.530 1.00 0.00 N ATOM 0 H GLN A 59 2.132 12.266 9.438 1.00 0.00 H new ATOM 0 HA GLN A 59 4.552 11.935 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.627 13.311 9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.122 11.910 10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.153 10.677 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.619 11.924 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.363 11.177 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.465 12.529 12.274 1.00 0.00 H new ATOM 935 N LEU A 60 5.100 9.484 8.377 1.00 0.00 N ATOM 936 CA LEU A 60 5.201 7.991 8.443 1.00 0.00 C ATOM 937 C LEU A 60 6.385 7.614 9.335 1.00 0.00 C ATOM 938 O LEU A 60 7.320 8.375 9.483 1.00 0.00 O ATOM 939 CB LEU A 60 5.427 7.440 7.034 1.00 0.00 C ATOM 940 CG LEU A 60 4.253 7.830 6.130 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.529 7.333 4.707 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.947 7.204 6.654 1.00 0.00 C ATOM 0 H LEU A 60 5.942 9.952 8.043 1.00 0.00 H new ATOM 0 HA LEU A 60 4.283 7.572 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.358 7.832 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.526 6.355 7.069 1.00 0.00 H new ATOM 0 HG LEU A 60 4.145 8.915 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.697 7.607 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.446 7.789 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.640 6.249 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.120 7.489 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.043 6.118 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.752 7.561 7.665 1.00 0.00 H new ATOM 954 N GLN A 61 6.339 6.453 9.945 1.00 0.00 N ATOM 955 CA GLN A 61 7.452 6.019 10.852 1.00 0.00 C ATOM 956 C GLN A 61 8.206 4.841 10.238 1.00 0.00 C ATOM 957 O GLN A 61 7.624 3.928 9.690 1.00 0.00 O ATOM 958 CB GLN A 61 6.860 5.603 12.198 1.00 0.00 C ATOM 959 CG GLN A 61 6.396 6.853 12.946 1.00 0.00 C ATOM 960 CD GLN A 61 5.726 6.450 14.258 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.402 5.201 14.455 1.00 0.00 O flip ATOM 962 NE2 GLN A 61 5.493 7.279 15.113 1.00 0.00 N flip ATOM 0 H GLN A 61 5.575 5.784 9.854 1.00 0.00 H new ATOM 0 HA GLN A 61 8.149 6.846 10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.022 4.922 12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.604 5.067 12.787 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.246 7.505 13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.698 7.419 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.746 8.255 14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.044 7.000 15.985 1.00 0.00 H new ATOM 971 N ASP A 62 9.506 4.875 10.322 1.00 0.00 N ATOM 972 CA ASP A 62 10.338 3.785 9.744 1.00 0.00 C ATOM 973 C ASP A 62 10.120 2.472 10.500 1.00 0.00 C ATOM 974 O ASP A 62 10.069 2.441 11.712 1.00 0.00 O ATOM 975 CB ASP A 62 11.809 4.195 9.840 1.00 0.00 C ATOM 976 CG ASP A 62 12.675 3.200 9.068 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.701 3.286 7.853 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.301 2.370 9.707 1.00 0.00 O ATOM 0 H ASP A 62 10.034 5.622 10.773 1.00 0.00 H new ATOM 0 HA ASP A 62 10.052 3.628 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.944 5.198 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.120 4.228 10.884 1.00 0.00 H new ATOM 983 N SER A 63 9.999 1.391 9.774 1.00 0.00 N ATOM 984 CA SER A 63 9.792 0.053 10.402 1.00 0.00 C ATOM 985 C SER A 63 8.432 -0.003 11.099 1.00 0.00 C ATOM 986 O SER A 63 8.331 0.108 12.303 1.00 0.00 O ATOM 987 CB SER A 63 10.914 -0.247 11.404 1.00 0.00 C ATOM 988 OG SER A 63 10.632 0.376 12.651 1.00 0.00 O ATOM 0 H SER A 63 10.036 1.380 8.755 1.00 0.00 H new ATOM 0 HA SER A 63 9.814 -0.704 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.013 -1.324 11.540 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.866 0.114 11.015 1.00 0.00 H new ATOM 0 HG SER A 63 9.861 0.973 12.552 1.00 0.00 H new ATOM 994 N ASP A 64 7.384 -0.191 10.343 1.00 0.00 N ATOM 995 CA ASP A 64 6.026 -0.275 10.951 1.00 0.00 C ATOM 996 C ASP A 64 5.054 -0.909 9.950 1.00 0.00 C ATOM 997 O ASP A 64 4.861 -0.418 8.852 1.00 0.00 O ATOM 998 CB ASP A 64 5.530 1.123 11.343 1.00 0.00 C ATOM 999 CG ASP A 64 5.518 2.041 10.118 1.00 0.00 C ATOM 1000 OD1 ASP A 64 6.002 1.622 9.080 1.00 0.00 O ATOM 1001 OD2 ASP A 64 5.023 3.150 10.241 1.00 0.00 O ATOM 0 H ASP A 64 7.411 -0.290 9.328 1.00 0.00 H new ATOM 0 HA ASP A 64 6.078 -0.892 11.848 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.528 1.056 11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.175 1.543 12.115 1.00 0.00 H new ATOM 1006 N VAL A 65 4.444 -2.007 10.330 1.00 0.00 N ATOM 1007 CA VAL A 65 3.478 -2.690 9.422 1.00 0.00 C ATOM 1008 C VAL A 65 2.116 -2.013 9.542 1.00 0.00 C ATOM 1009 O VAL A 65 1.501 -2.025 10.589 1.00 0.00 O ATOM 1010 CB VAL A 65 3.350 -4.162 9.826 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.596 -4.926 8.736 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.744 -4.767 9.997 1.00 0.00 C ATOM 0 H VAL A 65 4.577 -2.459 11.235 1.00 0.00 H new ATOM 0 HA VAL A 65 3.833 -2.626 8.393 1.00 0.00 H new ATOM 0 HB VAL A 65 2.804 -4.234 10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.505 -5.974 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.602 -4.496 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.143 -4.854 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.653 -5.814 10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.290 -4.695 9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.284 -4.223 10.772 1.00 0.00 H new ATOM 1022 N VAL A 66 1.643 -1.416 8.478 1.00 0.00 N ATOM 1023 CA VAL A 66 0.319 -0.723 8.521 1.00 0.00 C ATOM 1024 C VAL A 66 -0.480 -1.030 7.255 1.00 0.00 C ATOM 1025 O VAL A 66 0.060 -1.452 6.251 1.00 0.00 O ATOM 1026 CB VAL A 66 0.542 0.789 8.639 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.542 1.074 9.764 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.105 1.329 7.319 1.00 0.00 C ATOM 0 H VAL A 66 2.119 -1.378 7.577 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.243 -1.079 9.384 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.408 1.276 8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.700 2.149 9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.149 0.691 10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.490 0.584 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.263 2.404 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.054 0.839 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.399 1.129 6.513 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.768 -0.803 7.305 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.642 -1.054 6.122 1.00 0.00 C ATOM 1040 C ARG A 67 -3.231 0.274 5.656 1.00 0.00 C ATOM 1041 O ARG A 67 -3.816 1.006 6.429 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.767 -2.008 6.525 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.628 -2.334 5.304 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.742 -3.302 5.708 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.466 -3.753 4.487 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.629 -4.333 4.593 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -8.164 -4.520 5.769 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.260 -4.728 3.520 1.00 0.00 N ATOM 0 H ARG A 67 -2.257 -0.449 8.128 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.064 -1.501 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.348 -2.924 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.380 -1.554 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.057 -1.420 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.013 -2.777 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.322 -4.159 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.433 -2.814 6.395 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.051 -3.608 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.672 -4.212 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.074 -4.974 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.843 -4.583 2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.170 -5.182 3.601 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.072 0.596 4.396 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.615 1.885 3.866 1.00 0.00 C ATOM 1064 C ILE A 68 -4.845 1.590 3.015 1.00 0.00 C ATOM 1065 O ILE A 68 -4.802 0.778 2.113 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.548 2.562 3.003 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.293 2.796 3.845 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.074 3.907 2.497 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.154 3.273 2.944 1.00 0.00 C ATOM 0 H ILE A 68 -2.587 0.019 3.709 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.887 2.543 4.691 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.309 1.923 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.494 3.538 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.007 1.875 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.313 4.388 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.972 3.745 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.312 4.547 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.740 3.440 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.053 2.516 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.442 4.204 2.456 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.941 2.246 3.302 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.198 2.017 2.524 1.00 0.00 C ATOM 1083 C ASP A 69 -7.529 3.263 1.701 1.00 0.00 C ATOM 1084 O ASP A 69 -7.283 4.382 2.120 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.341 1.728 3.496 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.150 0.338 4.106 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.360 -0.419 3.568 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.799 0.056 5.099 1.00 0.00 O ATOM 0 H ASP A 69 -6.020 2.937 4.049 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.063 1.170 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.364 2.482 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.297 1.781 2.976 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.086 3.061 0.533 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.446 4.199 -0.363 1.00 0.00 C ATOM 1095 C ASN A 70 -7.170 4.904 -0.835 1.00 0.00 C ATOM 1096 O ASN A 70 -7.142 6.105 -1.004 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.346 5.194 0.383 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.059 6.098 -0.626 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.378 5.672 -1.719 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.319 7.335 -0.306 1.00 0.00 N ATOM 0 H ASN A 70 -8.309 2.139 0.158 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.988 3.815 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.078 4.656 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.750 5.796 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.790 7.946 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.051 7.692 0.611 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.120 4.158 -1.061 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.849 4.776 -1.536 1.00 0.00 C ATOM 1109 C ALA A 71 -4.998 5.160 -3.007 1.00 0.00 C ATOM 1110 O ALA A 71 -5.521 4.408 -3.798 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.708 3.770 -1.385 1.00 0.00 C ATOM 0 H ALA A 71 -6.089 3.146 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.629 5.665 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.778 4.220 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.607 3.490 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.925 2.882 -1.979 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.541 6.326 -3.384 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.666 6.761 -4.809 1.00 0.00 C ATOM 1119 C ARG A 72 -3.420 6.354 -5.594 1.00 0.00 C ATOM 1120 O ARG A 72 -2.304 6.555 -5.162 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.825 8.281 -4.850 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.014 8.741 -6.298 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.254 10.252 -6.326 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.044 10.963 -5.816 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.064 11.270 -6.627 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -3.126 10.941 -7.889 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.021 11.911 -6.172 1.00 0.00 N ATOM 0 H ARG A 72 -4.086 6.998 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.536 6.283 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.682 8.583 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.946 8.760 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.132 8.491 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.858 8.219 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.476 10.576 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.120 10.504 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.981 11.211 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.941 10.442 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.360 11.183 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.972 12.171 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.256 12.152 -6.802 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.609 5.785 -6.755 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.448 5.360 -7.588 1.00 0.00 C ATOM 1143 C VAL A 73 -2.003 6.522 -8.476 1.00 0.00 C ATOM 1144 O VAL A 73 -2.807 7.160 -9.126 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.868 4.179 -8.460 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.700 3.761 -9.359 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.263 3.010 -7.558 1.00 0.00 C ATOM 0 H VAL A 73 -4.524 5.596 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.620 5.065 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.714 4.466 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.003 2.918 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.414 4.598 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.851 3.470 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.565 2.162 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.413 2.725 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.094 3.308 -6.919 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.724 6.797 -8.506 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.195 7.913 -9.348 1.00 0.00 C ATOM 1159 C ALA A 74 0.987 7.397 -10.162 1.00 0.00 C ATOM 1160 O ALA A 74 1.527 6.348 -9.874 1.00 0.00 O ATOM 1161 CB ALA A 74 0.277 9.051 -8.443 1.00 0.00 C ATOM 0 H ALA A 74 -0.015 6.290 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.977 8.278 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.663 9.866 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.560 9.411 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.065 8.688 -7.783 1.00 0.00 H new ATOM 1167 N GLN A 75 1.386 8.117 -11.185 1.00 0.00 N ATOM 1168 CA GLN A 75 2.535 7.662 -12.030 1.00 0.00 C ATOM 1169 C GLN A 75 3.622 8.730 -12.058 1.00 0.00 C ATOM 1170 O GLN A 75 3.395 9.864 -12.432 1.00 0.00 O ATOM 1171 CB GLN A 75 2.052 7.412 -13.458 1.00 0.00 C ATOM 1172 CG GLN A 75 3.127 6.646 -14.230 1.00 0.00 C ATOM 1173 CD GLN A 75 2.588 6.260 -15.605 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.302 7.112 -16.422 1.00 0.00 O ATOM 1175 NE2 GLN A 75 2.423 4.998 -15.890 1.00 0.00 N ATOM 0 H GLN A 75 0.964 9.001 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 75 2.940 6.743 -11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.123 6.843 -13.445 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.839 8.359 -13.953 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.021 7.261 -14.337 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.419 5.753 -13.678 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.664 4.284 -15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.053 4.725 -16.801 1.00 0.00 H new ATOM 1184 N PHE A 76 4.811 8.357 -11.685 1.00 0.00 N ATOM 1185 CA PHE A 76 5.952 9.309 -11.702 1.00 0.00 C ATOM 1186 C PHE A 76 6.539 9.327 -13.112 1.00 0.00 C ATOM 1187 O PHE A 76 6.032 8.666 -13.995 1.00 0.00 O ATOM 1188 CB PHE A 76 7.014 8.845 -10.697 1.00 0.00 C ATOM 1189 CG PHE A 76 6.692 9.394 -9.327 1.00 0.00 C ATOM 1190 CD1 PHE A 76 6.753 10.774 -9.108 1.00 0.00 C ATOM 1191 CD2 PHE A 76 6.332 8.535 -8.283 1.00 0.00 C ATOM 1192 CE1 PHE A 76 6.457 11.297 -7.846 1.00 0.00 C ATOM 1193 CE2 PHE A 76 6.035 9.057 -7.018 1.00 0.00 C ATOM 1194 CZ PHE A 76 6.096 10.439 -6.801 1.00 0.00 C ATOM 0 H PHE A 76 5.044 7.417 -11.364 1.00 0.00 H new ATOM 0 HA PHE A 76 5.620 10.310 -11.426 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.047 7.756 -10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.000 9.184 -11.013 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.029 11.436 -9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.283 7.470 -8.453 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.507 12.363 -7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.759 8.395 -6.211 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.864 10.843 -5.827 1.00 0.00 H new ATOM 1204 N ASN A 77 7.592 10.086 -13.320 1.00 0.00 N ATOM 1205 CA ASN A 77 8.236 10.180 -14.672 1.00 0.00 C ATOM 1206 C ASN A 77 8.211 8.820 -15.383 1.00 0.00 C ATOM 1207 O ASN A 77 8.355 8.739 -16.585 1.00 0.00 O ATOM 1208 CB ASN A 77 9.692 10.628 -14.500 1.00 0.00 C ATOM 1209 CG ASN A 77 9.736 12.115 -14.135 1.00 0.00 C ATOM 1210 OD1 ASN A 77 8.775 12.829 -14.329 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.825 12.613 -13.610 1.00 0.00 N ATOM 0 H ASN A 77 8.039 10.653 -12.599 1.00 0.00 H new ATOM 0 HA ASN A 77 7.683 10.900 -15.275 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.174 10.038 -13.721 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.247 10.453 -15.421 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.866 13.602 -13.364 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.633 12.013 -13.447 1.00 0.00 H new ATOM 1218 N GLY A 78 8.014 7.756 -14.656 1.00 0.00 N ATOM 1219 CA GLY A 78 7.963 6.416 -15.290 1.00 0.00 C ATOM 1220 C GLY A 78 7.914 5.347 -14.202 1.00 0.00 C ATOM 1221 O GLY A 78 8.390 4.246 -14.387 1.00 0.00 O ATOM 0 H GLY A 78 7.886 7.760 -13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.086 6.338 -15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.837 6.267 -15.924 1.00 0.00 H new ATOM 1225 N TYR A 79 7.342 5.661 -13.061 1.00 0.00 N ATOM 1226 CA TYR A 79 7.268 4.645 -11.954 1.00 0.00 C ATOM 1227 C TYR A 79 5.924 4.745 -11.229 1.00 0.00 C ATOM 1228 O TYR A 79 5.405 5.819 -10.999 1.00 0.00 O ATOM 1229 CB TYR A 79 8.407 4.879 -10.958 1.00 0.00 C ATOM 1230 CG TYR A 79 9.732 4.678 -11.648 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.276 3.391 -11.759 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.419 5.775 -12.178 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.507 3.206 -12.398 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.650 5.589 -12.818 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.194 4.305 -12.928 1.00 0.00 C ATOM 1236 OH TYR A 79 13.407 4.121 -13.557 1.00 0.00 O ATOM 0 H TYR A 79 6.926 6.568 -12.848 1.00 0.00 H new ATOM 0 HA TYR A 79 7.363 3.649 -12.387 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.347 5.889 -10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.315 4.191 -10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.746 2.543 -11.352 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.999 6.767 -12.093 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.928 2.215 -12.482 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.180 6.437 -13.227 1.00 0.00 H new ATOM 0 HH TYR A 79 13.749 4.985 -13.868 1.00 0.00 H new ATOM 1246 N LEU A 80 5.359 3.625 -10.868 1.00 0.00 N ATOM 1247 CA LEU A 80 4.048 3.634 -10.158 1.00 0.00 C ATOM 1248 C LEU A 80 4.249 4.012 -8.689 1.00 0.00 C ATOM 1249 O LEU A 80 5.269 3.722 -8.099 1.00 0.00 O ATOM 1250 CB LEU A 80 3.421 2.240 -10.239 1.00 0.00 C ATOM 1251 CG LEU A 80 3.272 1.823 -11.708 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.664 0.420 -11.777 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.365 2.816 -12.452 1.00 0.00 C ATOM 0 H LEU A 80 5.752 2.699 -11.035 1.00 0.00 H new ATOM 0 HA LEU A 80 3.391 4.366 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.043 1.520 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.447 2.240 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 80 4.254 1.822 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.557 0.121 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.317 -0.285 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.685 0.424 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.267 2.509 -13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.381 2.831 -11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.803 3.813 -12.407 1.00 0.00 H new ATOM 1265 N SER A 81 3.278 4.655 -8.096 1.00 0.00 N ATOM 1266 CA SER A 81 3.407 5.047 -6.663 1.00 0.00 C ATOM 1267 C SER A 81 2.019 5.217 -6.048 1.00 0.00 C ATOM 1268 O SER A 81 1.043 5.411 -6.742 1.00 0.00 O ATOM 1269 CB SER A 81 4.171 6.366 -6.568 1.00 0.00 C ATOM 1270 OG SER A 81 3.585 7.313 -7.454 1.00 0.00 O ATOM 0 H SER A 81 2.402 4.925 -8.542 1.00 0.00 H new ATOM 0 HA SER A 81 3.947 4.270 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.144 6.742 -5.545 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.219 6.212 -6.824 1.00 0.00 H new ATOM 0 HG SER A 81 4.256 7.980 -7.710 1.00 0.00 H new ATOM 1276 N LEU A 82 1.929 5.146 -4.742 1.00 0.00 N ATOM 1277 CA LEU A 82 0.610 5.304 -4.052 1.00 0.00 C ATOM 1278 C LEU A 82 0.629 6.592 -3.233 1.00 0.00 C ATOM 1279 O LEU A 82 1.508 6.807 -2.424 1.00 0.00 O ATOM 1280 CB LEU A 82 0.387 4.109 -3.123 1.00 0.00 C ATOM 1281 CG LEU A 82 0.457 2.808 -3.933 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.280 1.616 -2.988 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.648 2.791 -5.004 1.00 0.00 C ATOM 0 H LEU A 82 2.720 4.984 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.194 5.350 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.142 4.101 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.583 4.192 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 82 1.426 2.743 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.329 0.689 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.073 1.624 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.688 1.686 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.589 1.863 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.623 2.860 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.516 3.638 -5.677 1.00 0.00 H new ATOM 1295 N SER A 83 -0.337 7.452 -3.441 1.00 0.00 N ATOM 1296 CA SER A 83 -0.385 8.740 -2.683 1.00 0.00 C ATOM 1297 C SER A 83 -1.493 8.670 -1.632 1.00 0.00 C ATOM 1298 O SER A 83 -2.611 8.289 -1.916 1.00 0.00 O ATOM 1299 CB SER A 83 -0.676 9.881 -3.661 1.00 0.00 C ATOM 1300 OG SER A 83 -2.082 10.034 -3.801 1.00 0.00 O ATOM 0 H SER A 83 -1.098 7.316 -4.107 1.00 0.00 H new ATOM 0 HA SER A 83 0.570 8.915 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.232 10.808 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.224 9.669 -4.630 1.00 0.00 H new ATOM 0 HG SER A 83 -2.342 10.936 -3.521 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.186 9.033 -0.412 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.210 8.992 0.676 1.00 0.00 C ATOM 1308 C VAL A 84 -2.741 10.403 0.923 1.00 0.00 C ATOM 1309 O VAL A 84 -2.015 11.290 1.341 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.559 8.453 1.949 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.634 8.201 3.003 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.837 7.144 1.629 1.00 0.00 C ATOM 0 H VAL A 84 -0.264 9.358 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.037 8.344 0.387 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.843 9.180 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.170 7.816 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.150 9.135 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.350 7.472 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.371 6.755 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.554 6.416 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.071 7.326 0.875 1.00 0.00 H new ATOM 1322 N GLY A 85 -4.005 10.620 0.650 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.608 11.972 0.845 1.00 0.00 C ATOM 1324 C GLY A 85 -5.250 12.080 2.232 1.00 0.00 C ATOM 1325 O GLY A 85 -5.285 11.134 2.992 1.00 0.00 O ATOM 0 H GLY A 85 -4.648 9.911 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.841 12.738 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.358 12.156 0.076 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.764 13.236 2.557 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.413 13.434 3.884 1.00 0.00 C ATOM 1331 C ASP A 86 -7.707 12.619 3.964 1.00 0.00 C ATOM 1332 O ASP A 86 -8.177 12.293 5.035 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.730 14.919 4.070 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.567 15.415 2.889 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -7.753 14.649 1.957 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.010 16.551 2.937 1.00 0.00 O ATOM 0 H ASP A 86 -5.762 14.059 1.954 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.736 13.099 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.272 15.072 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.806 15.493 4.141 1.00 0.00 H new ATOM 1341 N SER A 87 -8.293 12.291 2.844 1.00 0.00 N ATOM 1342 CA SER A 87 -9.558 11.500 2.866 1.00 0.00 C ATOM 1343 C SER A 87 -9.226 10.007 2.958 1.00 0.00 C ATOM 1344 O SER A 87 -10.102 9.175 3.060 1.00 0.00 O ATOM 1345 CB SER A 87 -10.342 11.771 1.582 1.00 0.00 C ATOM 1346 OG SER A 87 -9.602 11.283 0.471 1.00 0.00 O ATOM 0 H SER A 87 -7.951 12.536 1.915 1.00 0.00 H new ATOM 0 HA SER A 87 -10.157 11.790 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.316 11.285 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.524 12.840 1.472 1.00 0.00 H new ATOM 0 HG SER A 87 -10.102 11.453 -0.355 1.00 0.00 H new ATOM 1352 N SER A 88 -7.966 9.664 2.918 1.00 0.00 N ATOM 1353 CA SER A 88 -7.576 8.226 2.997 1.00 0.00 C ATOM 1354 C SER A 88 -7.595 7.761 4.452 1.00 0.00 C ATOM 1355 O SER A 88 -7.757 8.551 5.360 1.00 0.00 O ATOM 1356 CB SER A 88 -6.167 8.050 2.436 1.00 0.00 C ATOM 1357 OG SER A 88 -5.798 6.681 2.527 1.00 0.00 O ATOM 0 H SER A 88 -7.189 10.319 2.834 1.00 0.00 H new ATOM 0 HA SER A 88 -8.283 7.633 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.132 8.381 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.461 8.667 2.992 1.00 0.00 H new ATOM 0 HG SER A 88 -6.519 6.123 2.168 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.424 6.478 4.677 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.425 5.944 6.077 1.00 0.00 C ATOM 1365 C ARG A 89 -6.189 5.075 6.297 1.00 0.00 C ATOM 1366 O ARG A 89 -5.770 4.338 5.426 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.685 5.106 6.298 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.904 6.027 6.338 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.177 5.186 6.444 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.162 4.425 7.727 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.073 3.519 7.962 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.991 3.265 7.070 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.062 2.861 9.090 1.00 0.00 N ATOM 0 H ARG A 89 -7.284 5.777 3.949 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.410 6.775 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.794 4.374 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.606 4.548 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.832 6.706 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.937 6.643 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.056 5.829 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.243 4.498 5.601 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.439 4.612 8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.998 3.775 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.701 2.557 7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.342 3.055 9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.773 2.153 9.275 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.607 5.159 7.466 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.392 4.348 7.787 1.00 0.00 C ATOM 1389 C ILE A 90 -4.668 3.522 9.039 1.00 0.00 C ATOM 1390 O ILE A 90 -5.119 4.043 10.040 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.215 5.288 8.044 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.890 6.045 6.753 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.997 4.477 8.487 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.876 7.152 7.046 1.00 0.00 C ATOM 0 H ILE A 90 -5.926 5.764 8.223 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.152 3.686 6.955 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.475 5.997 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.488 5.358 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.800 6.474 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.159 5.150 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.234 3.935 9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.729 3.767 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.647 7.689 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.295 7.845 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.963 6.712 7.446 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.409 2.239 8.992 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.660 1.367 10.182 1.00 0.00 C ATOM 1408 C GLU A 91 -3.382 0.611 10.534 1.00 0.00 C ATOM 1409 O GLU A 91 -2.897 -0.206 9.778 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.782 0.377 9.854 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.090 1.144 9.626 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.514 1.844 10.920 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.038 1.444 11.970 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -8.303 2.770 10.838 1.00 0.00 O ATOM 0 H GLU A 91 -4.033 1.755 8.177 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.958 1.978 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.525 -0.198 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.903 -0.335 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.958 1.878 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.872 0.458 9.300 1.00 0.00 H new ATOM 1421 N SER A 92 -2.831 0.889 11.680 1.00 0.00 N ATOM 1422 CA SER A 92 -1.583 0.203 12.099 1.00 0.00 C ATOM 1423 C SER A 92 -1.907 -1.190 12.627 1.00 0.00 C ATOM 1424 O SER A 92 -3.003 -1.449 13.084 1.00 0.00 O ATOM 1425 CB SER A 92 -0.913 1.018 13.202 1.00 0.00 C ATOM 1426 OG SER A 92 -1.876 1.335 14.198 1.00 0.00 O ATOM 0 H SER A 92 -3.196 1.568 12.349 1.00 0.00 H new ATOM 0 HA SER A 92 -0.914 0.113 11.243 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.091 0.452 13.641 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.486 1.931 12.788 1.00 0.00 H new ATOM 0 HG SER A 92 -1.451 1.857 14.910 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.958 -2.089 12.578 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.193 -3.474 13.089 1.00 0.00 C ATOM 1434 C VAL A 93 0.011 -3.906 13.924 1.00 0.00 C ATOM 1435 O VAL A 93 0.915 -4.558 13.439 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.376 -4.421 11.902 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -1.573 -5.849 12.413 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.606 -3.990 11.100 1.00 0.00 C ATOM 0 H VAL A 93 -0.024 -1.922 12.204 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.089 -3.501 13.709 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.492 -4.385 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.703 -6.524 11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.699 -6.153 12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.458 -5.889 13.049 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.741 -4.662 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.489 -4.029 11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.465 -2.972 10.737 1.00 0.00 H new