USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 88 GLN : amide:sc= -0.0851 K(o=-2.1,f=-3.1) USER MOD Set 1.2: A 101 MET CE :methyl -133:sc= -2.84! (180deg=-3.68) USER MOD Set 1.3: A 105 ASN : amide:sc= 0.797 K(o=-2.1,f=-3.5) USER MOD Set 2.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl -148:sc= -0.546 (180deg=-2.18!) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-3.4!) USER MOD Single : A 43 GLN : amide:sc= 0.885 K(o=0.88,f=-1.3) USER MOD Single : A 46 MET CE :methyl -147:sc= 0 (180deg=-0.118) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -179:sc= -0.934 (180deg=-0.976) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.515 K(o=0.51,f=-0.11) USER MOD Single : A 68 GLN : amide:sc= 0.0877 K(o=0.088,f=-2.8!) USER MOD Single : A 69 GLN : amide:sc= 0.916 K(o=0.92,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.713 K(o=0.71,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.015 USER MOD Single : A 89 SER OG : rot -133:sc= 0.141 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 12.025 6.939 4.995 1.00 0.00 N ATOM 69 CA VAL A 27 13.399 6.804 4.465 1.00 0.00 C ATOM 70 C VAL A 27 13.841 8.068 3.707 1.00 0.00 C ATOM 71 O VAL A 27 13.035 8.969 3.460 1.00 0.00 O ATOM 72 CB VAL A 27 13.534 5.533 3.593 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.325 4.266 4.429 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.558 5.507 2.408 1.00 0.00 C ATOM 0 HA VAL A 27 14.074 6.693 5.314 1.00 0.00 H new ATOM 0 HB VAL A 27 14.548 5.559 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.425 3.388 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.072 4.226 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.328 4.282 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.704 4.590 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.534 5.544 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.743 6.368 1.766 1.00 0.00 H new ATOM 84 N ARG A 28 15.129 8.157 3.346 1.00 0.00 N ATOM 85 CA ARG A 28 15.709 9.269 2.563 1.00 0.00 C ATOM 86 C ARG A 28 15.977 8.838 1.105 1.00 0.00 C ATOM 87 O ARG A 28 16.502 7.742 0.905 1.00 0.00 O ATOM 88 CB ARG A 28 16.997 9.760 3.261 1.00 0.00 C ATOM 89 CG ARG A 28 17.376 11.195 2.856 1.00 0.00 C ATOM 90 CD ARG A 28 18.608 11.706 3.615 1.00 0.00 C ATOM 91 NE ARG A 28 19.841 10.991 3.218 1.00 0.00 N ATOM 92 CZ ARG A 28 21.028 11.089 3.793 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.252 11.894 4.793 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.028 10.372 3.366 1.00 0.00 N ATOM 0 H ARG A 28 15.816 7.445 3.593 1.00 0.00 H new ATOM 0 HA ARG A 28 14.998 10.094 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.861 9.715 4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.819 9.087 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.572 11.228 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.533 11.859 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.732 12.773 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.449 11.586 4.687 1.00 0.00 H new ATOM 0 HE ARG A 28 19.768 10.359 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.498 12.476 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.181 11.942 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.898 9.730 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.941 10.452 3.814 1.00 0.00 H new ATOM 108 N PRO A 29 15.659 9.665 0.088 1.00 0.00 N ATOM 109 CA PRO A 29 16.044 9.410 -1.304 1.00 0.00 C ATOM 110 C PRO A 29 17.528 9.712 -1.564 1.00 0.00 C ATOM 111 O PRO A 29 18.254 10.166 -0.675 1.00 0.00 O ATOM 112 CB PRO A 29 15.103 10.302 -2.121 1.00 0.00 C ATOM 113 CG PRO A 29 14.931 11.526 -1.226 1.00 0.00 C ATOM 114 CD PRO A 29 14.889 10.903 0.170 1.00 0.00 C ATOM 0 HA PRO A 29 15.946 8.359 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.533 10.565 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.151 9.810 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.758 12.228 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.016 12.073 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.317 11.579 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.862 10.703 0.476 1.00 0.00 H new ATOM 122 N LYS A 30 17.985 9.468 -2.801 1.00 0.00 N ATOM 123 CA LYS A 30 19.350 9.773 -3.238 1.00 0.00 C ATOM 124 C LYS A 30 19.603 11.288 -3.172 1.00 0.00 C ATOM 125 O LYS A 30 18.689 12.082 -3.392 1.00 0.00 O ATOM 126 CB LYS A 30 19.535 9.169 -4.642 1.00 0.00 C ATOM 127 CG LYS A 30 21.000 9.054 -5.081 1.00 0.00 C ATOM 128 CD LYS A 30 21.450 7.625 -5.430 1.00 0.00 C ATOM 129 CE LYS A 30 21.418 6.682 -4.216 1.00 0.00 C ATOM 130 NZ LYS A 30 21.834 5.301 -4.590 1.00 0.00 N ATOM 0 H LYS A 30 17.409 9.049 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 30 20.096 9.329 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.081 8.178 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.997 9.782 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.157 9.693 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.636 9.437 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.805 7.226 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.461 7.655 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.079 7.065 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.412 6.660 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.802 4.689 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.188 4.928 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.803 5.320 -4.967 1.00 0.00 H new ATOM 144 N LEU A 31 20.839 11.703 -2.896 1.00 0.00 N ATOM 145 CA LEU A 31 21.155 13.108 -2.576 1.00 0.00 C ATOM 146 C LEU A 31 20.764 14.123 -3.670 1.00 0.00 C ATOM 147 O LEU A 31 20.126 15.110 -3.318 1.00 0.00 O ATOM 148 CB LEU A 31 22.620 13.249 -2.110 1.00 0.00 C ATOM 149 CG LEU A 31 22.954 12.551 -0.774 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.433 12.761 -0.448 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.130 13.081 0.403 1.00 0.00 C ATOM 0 H LEU A 31 21.650 11.084 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 31 20.510 13.380 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.272 12.846 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.854 14.309 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 31 22.714 11.496 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.671 12.269 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.045 12.336 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.639 13.828 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.412 12.550 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.321 14.146 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.070 12.924 0.205 1.00 0.00 H new ATOM 163 N PRO A 32 20.988 13.900 -4.981 1.00 0.00 N ATOM 164 CA PRO A 32 20.499 14.830 -6.009 1.00 0.00 C ATOM 165 C PRO A 32 18.964 14.925 -6.090 1.00 0.00 C ATOM 166 O PRO A 32 18.437 15.983 -6.420 1.00 0.00 O ATOM 167 CB PRO A 32 21.119 14.349 -7.327 1.00 0.00 C ATOM 168 CG PRO A 32 22.379 13.617 -6.867 1.00 0.00 C ATOM 169 CD PRO A 32 21.925 12.955 -5.569 1.00 0.00 C ATOM 0 HA PRO A 32 20.798 15.849 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.445 13.689 -7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.355 15.182 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.712 12.883 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.209 14.304 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.450 11.993 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.768 12.767 -4.904 1.00 0.00 H new ATOM 177 N LEU A 33 18.222 13.875 -5.710 1.00 0.00 N ATOM 178 CA LEU A 33 16.756 13.937 -5.571 1.00 0.00 C ATOM 179 C LEU A 33 16.377 14.807 -4.353 1.00 0.00 C ATOM 180 O LEU A 33 15.488 15.651 -4.444 1.00 0.00 O ATOM 181 CB LEU A 33 16.198 12.494 -5.531 1.00 0.00 C ATOM 182 CG LEU A 33 14.729 12.326 -5.975 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.380 10.848 -6.138 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.707 12.902 -4.998 1.00 0.00 C ATOM 0 H LEU A 33 18.617 12.961 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 33 16.293 14.426 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.823 11.866 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.295 12.116 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 33 14.668 12.877 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.340 10.752 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.029 10.402 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.521 10.334 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.701 12.741 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.807 12.406 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.882 13.971 -4.876 1.00 0.00 H new ATOM 196 N LEU A 34 17.131 14.708 -3.251 1.00 0.00 N ATOM 197 CA LEU A 34 17.014 15.623 -2.104 1.00 0.00 C ATOM 198 C LEU A 34 17.297 17.088 -2.507 1.00 0.00 C ATOM 199 O LEU A 34 16.560 17.981 -2.093 1.00 0.00 O ATOM 200 CB LEU A 34 17.932 15.126 -0.960 1.00 0.00 C ATOM 201 CG LEU A 34 17.532 15.583 0.457 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.260 14.872 0.923 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.648 15.237 1.441 1.00 0.00 C ATOM 0 H LEU A 34 17.843 13.988 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 34 15.986 15.617 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.951 14.036 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.948 15.466 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 34 17.359 16.659 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.999 15.212 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.443 15.101 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.430 13.795 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.364 15.561 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.812 14.159 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.566 15.744 1.143 1.00 0.00 H new ATOM 215 N LYS A 35 18.275 17.337 -3.394 1.00 0.00 N ATOM 216 CA LYS A 35 18.543 18.675 -3.970 1.00 0.00 C ATOM 217 C LYS A 35 17.377 19.189 -4.823 1.00 0.00 C ATOM 218 O LYS A 35 17.014 20.356 -4.718 1.00 0.00 O ATOM 219 CB LYS A 35 19.839 18.686 -4.812 1.00 0.00 C ATOM 220 CG LYS A 35 21.141 18.233 -4.123 1.00 0.00 C ATOM 221 CD LYS A 35 21.878 19.302 -3.311 1.00 0.00 C ATOM 222 CE LYS A 35 21.102 19.729 -2.060 1.00 0.00 C ATOM 223 NZ LYS A 35 21.898 20.644 -1.196 1.00 0.00 N ATOM 0 H LYS A 35 18.908 16.614 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 35 18.666 19.345 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.680 18.049 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.990 19.700 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.907 17.399 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.820 17.853 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.855 18.920 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.054 20.174 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.178 20.224 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.820 18.845 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.337 20.909 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.768 20.163 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.146 21.500 -1.732 1.00 0.00 H new ATOM 237 N ILE A 36 16.749 18.331 -5.628 1.00 0.00 N ATOM 238 CA ILE A 36 15.553 18.652 -6.424 1.00 0.00 C ATOM 239 C ILE A 36 14.353 19.019 -5.525 1.00 0.00 C ATOM 240 O ILE A 36 13.669 20.007 -5.789 1.00 0.00 O ATOM 241 CB ILE A 36 15.300 17.476 -7.398 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.408 17.503 -8.479 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.913 17.516 -8.056 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.494 16.236 -9.334 1.00 0.00 C ATOM 0 H ILE A 36 17.062 17.368 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 36 15.709 19.549 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 36 15.328 16.550 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.237 18.357 -9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.370 17.663 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.803 16.663 -8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.143 17.473 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.807 18.440 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.297 16.343 -10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.698 15.378 -8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.548 16.083 -9.854 1.00 0.00 H new ATOM 256 N LEU A 37 14.149 18.318 -4.404 1.00 0.00 N ATOM 257 CA LEU A 37 13.177 18.689 -3.367 1.00 0.00 C ATOM 258 C LEU A 37 13.514 20.032 -2.682 1.00 0.00 C ATOM 259 O LEU A 37 12.615 20.855 -2.502 1.00 0.00 O ATOM 260 CB LEU A 37 13.072 17.532 -2.354 1.00 0.00 C ATOM 261 CG LEU A 37 12.444 16.254 -2.947 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.659 15.060 -2.027 1.00 0.00 C ATOM 263 CD2 LEU A 37 10.944 16.421 -3.137 1.00 0.00 C ATOM 0 H LEU A 37 14.662 17.463 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 37 12.207 18.849 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.067 17.298 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.477 17.858 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 37 12.931 16.083 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.206 14.173 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.728 14.893 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.198 15.258 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.526 15.506 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.476 16.626 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.754 17.251 -3.817 1.00 0.00 H new ATOM 275 N HIS A 38 14.792 20.313 -2.383 1.00 0.00 N ATOM 276 CA HIS A 38 15.227 21.636 -1.894 1.00 0.00 C ATOM 277 C HIS A 38 14.922 22.748 -2.914 1.00 0.00 C ATOM 278 O HIS A 38 14.382 23.794 -2.549 1.00 0.00 O ATOM 279 CB HIS A 38 16.730 21.649 -1.551 1.00 0.00 C ATOM 280 CG HIS A 38 17.206 20.704 -0.470 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.532 20.284 -0.321 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.467 20.194 0.560 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.559 19.521 0.783 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.337 19.452 1.335 1.00 0.00 N ATOM 0 H HIS A 38 15.550 19.636 -2.472 1.00 0.00 H new ATOM 0 HA HIS A 38 14.659 21.831 -0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.285 21.426 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.999 22.663 -1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.411 20.342 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.440 19.032 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.093 18.939 2.182 1.00 0.00 H new ATOM 292 N ALA A 39 15.197 22.511 -4.202 1.00 0.00 N ATOM 293 CA ALA A 39 14.949 23.459 -5.292 1.00 0.00 C ATOM 294 C ALA A 39 13.452 23.740 -5.518 1.00 0.00 C ATOM 295 O ALA A 39 13.088 24.822 -5.984 1.00 0.00 O ATOM 296 CB ALA A 39 15.582 22.897 -6.566 1.00 0.00 C ATOM 0 H ALA A 39 15.608 21.634 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 39 15.396 24.415 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.410 23.587 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.654 22.772 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.133 21.931 -6.800 1.00 0.00 H new ATOM 302 N ALA A 40 12.580 22.796 -5.144 1.00 0.00 N ATOM 303 CA ALA A 40 11.130 22.979 -5.139 1.00 0.00 C ATOM 304 C ALA A 40 10.626 23.882 -3.983 1.00 0.00 C ATOM 305 O ALA A 40 9.431 24.177 -3.909 1.00 0.00 O ATOM 306 CB ALA A 40 10.466 21.596 -5.107 1.00 0.00 C ATOM 0 H ALA A 40 12.871 21.869 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 40 10.850 23.509 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.382 21.713 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.766 21.028 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.777 21.064 -4.208 1.00 0.00 H new ATOM 312 N GLY A 41 11.518 24.316 -3.079 1.00 0.00 N ATOM 313 CA GLY A 41 11.209 25.168 -1.923 1.00 0.00 C ATOM 314 C GLY A 41 10.849 24.406 -0.639 1.00 0.00 C ATOM 315 O GLY A 41 10.411 25.028 0.332 1.00 0.00 O ATOM 0 H GLY A 41 12.507 24.075 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.068 25.807 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.379 25.824 -2.184 1.00 0.00 H new ATOM 319 N ALA A 42 11.024 23.079 -0.615 1.00 0.00 N ATOM 320 CA ALA A 42 10.733 22.221 0.536 1.00 0.00 C ATOM 321 C ALA A 42 11.994 21.893 1.352 1.00 0.00 C ATOM 322 O ALA A 42 13.072 21.685 0.791 1.00 0.00 O ATOM 323 CB ALA A 42 10.055 20.945 0.028 1.00 0.00 C ATOM 0 H ALA A 42 11.381 22.561 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 42 10.067 22.754 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.830 20.292 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.130 21.205 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.722 20.429 -0.663 1.00 0.00 H new ATOM 329 N GLN A 43 11.865 21.783 2.678 1.00 0.00 N ATOM 330 CA GLN A 43 12.944 21.254 3.520 1.00 0.00 C ATOM 331 C GLN A 43 13.046 19.740 3.333 1.00 0.00 C ATOM 332 O GLN A 43 12.029 19.042 3.313 1.00 0.00 O ATOM 333 CB GLN A 43 12.694 21.603 4.994 1.00 0.00 C ATOM 334 CG GLN A 43 13.739 21.075 5.998 1.00 0.00 C ATOM 335 CD GLN A 43 15.187 21.499 5.736 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.504 22.363 4.928 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.135 20.878 6.399 1.00 0.00 N ATOM 0 H GLN A 43 11.026 22.053 3.191 1.00 0.00 H new ATOM 0 HA GLN A 43 13.887 21.711 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.645 22.688 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.716 21.214 5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.457 21.409 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.694 19.986 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.894 20.155 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.113 21.119 6.236 1.00 0.00 H new ATOM 346 N GLY A 44 14.275 19.233 3.210 1.00 0.00 N ATOM 347 CA GLY A 44 14.516 17.834 2.864 1.00 0.00 C ATOM 348 C GLY A 44 15.096 16.999 3.997 1.00 0.00 C ATOM 349 O GLY A 44 16.314 16.927 4.147 1.00 0.00 O ATOM 0 H GLY A 44 15.126 19.779 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.577 17.385 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.197 17.794 2.014 1.00 0.00 H new ATOM 353 N GLU A 45 14.217 16.344 4.759 1.00 0.00 N ATOM 354 CA GLU A 45 14.552 15.475 5.891 1.00 0.00 C ATOM 355 C GLU A 45 13.528 14.319 5.990 1.00 0.00 C ATOM 356 O GLU A 45 12.682 14.282 6.887 1.00 0.00 O ATOM 357 CB GLU A 45 14.612 16.291 7.202 1.00 0.00 C ATOM 358 CG GLU A 45 15.802 17.256 7.285 1.00 0.00 C ATOM 359 CD GLU A 45 15.811 18.021 8.620 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.158 17.430 9.673 1.00 0.00 O ATOM 361 OE2 GLU A 45 15.492 19.235 8.613 1.00 0.00 O ATOM 0 H GLU A 45 13.212 16.407 4.598 1.00 0.00 H new ATOM 0 HA GLU A 45 15.539 15.042 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.688 16.860 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.658 15.601 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.733 16.699 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.756 17.965 6.458 1.00 0.00 H new ATOM 368 N MET A 46 13.658 13.367 5.053 1.00 0.00 N ATOM 369 CA MET A 46 12.991 12.055 4.941 1.00 0.00 C ATOM 370 C MET A 46 11.462 12.060 4.711 1.00 0.00 C ATOM 371 O MET A 46 10.703 12.781 5.361 1.00 0.00 O ATOM 372 CB MET A 46 13.404 11.200 6.137 1.00 0.00 C ATOM 373 CG MET A 46 14.861 10.730 6.065 1.00 0.00 C ATOM 374 SD MET A 46 15.635 10.380 7.666 1.00 0.00 S ATOM 375 CE MET A 46 15.864 12.083 8.250 1.00 0.00 C ATOM 0 H MET A 46 14.299 13.510 4.273 1.00 0.00 H new ATOM 0 HA MET A 46 13.342 11.618 4.006 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.258 11.772 7.053 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.750 10.330 6.197 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.906 9.830 5.452 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.448 11.493 5.554 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.770 12.142 8.853 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.953 12.752 7.394 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.006 12.379 8.854 1.00 0.00 H new ATOM 385 N PHE A 47 11.005 11.227 3.762 1.00 0.00 N ATOM 386 CA PHE A 47 9.621 11.231 3.248 1.00 0.00 C ATOM 387 C PHE A 47 9.233 9.953 2.478 1.00 0.00 C ATOM 388 O PHE A 47 10.089 9.185 2.035 1.00 0.00 O ATOM 389 CB PHE A 47 9.341 12.453 2.345 1.00 0.00 C ATOM 390 CG PHE A 47 10.490 13.380 2.032 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.616 12.892 1.350 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.420 14.727 2.417 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.693 13.752 1.080 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.479 15.596 2.116 1.00 0.00 C ATOM 395 CZ PHE A 47 12.617 15.105 1.453 1.00 0.00 C ATOM 0 H PHE A 47 11.594 10.520 3.322 1.00 0.00 H new ATOM 0 HA PHE A 47 9.005 11.281 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.941 12.085 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.555 13.043 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.654 11.860 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.552 15.094 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.577 13.375 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.420 16.638 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.437 15.771 1.229 1.00 0.00 H new ATOM 405 N THR A 48 7.926 9.749 2.294 1.00 0.00 N ATOM 406 CA THR A 48 7.342 8.675 1.460 1.00 0.00 C ATOM 407 C THR A 48 7.405 8.998 -0.043 1.00 0.00 C ATOM 408 O THR A 48 7.667 10.139 -0.429 1.00 0.00 O ATOM 409 CB THR A 48 5.872 8.408 1.837 1.00 0.00 C ATOM 410 OG1 THR A 48 5.074 9.506 1.450 1.00 0.00 O ATOM 411 CG2 THR A 48 5.647 8.145 3.325 1.00 0.00 C ATOM 0 H THR A 48 7.218 10.339 2.730 1.00 0.00 H new ATOM 0 HA THR A 48 7.945 7.788 1.656 1.00 0.00 H new ATOM 0 HB THR A 48 5.590 7.499 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.140 9.332 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.587 7.967 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.220 7.270 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.973 9.011 3.901 1.00 0.00 H new ATOM 419 N VAL A 49 7.077 8.027 -0.915 1.00 0.00 N ATOM 420 CA VAL A 49 6.888 8.272 -2.367 1.00 0.00 C ATOM 421 C VAL A 49 5.884 9.403 -2.616 1.00 0.00 C ATOM 422 O VAL A 49 6.153 10.265 -3.448 1.00 0.00 O ATOM 423 CB VAL A 49 6.512 6.962 -3.120 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.352 7.044 -4.124 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.704 6.471 -3.945 1.00 0.00 C ATOM 0 H VAL A 49 6.935 7.055 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 49 7.841 8.605 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 49 6.208 6.303 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.194 6.066 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.444 7.355 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.594 7.769 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.432 5.554 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.983 7.234 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.548 6.274 -3.284 1.00 0.00 H new ATOM 435 N LYS A 50 4.771 9.459 -1.869 1.00 0.00 N ATOM 436 CA LYS A 50 3.724 10.484 -2.008 1.00 0.00 C ATOM 437 C LYS A 50 4.200 11.875 -1.579 1.00 0.00 C ATOM 438 O LYS A 50 3.968 12.853 -2.288 1.00 0.00 O ATOM 439 CB LYS A 50 2.513 10.005 -1.201 1.00 0.00 C ATOM 440 CG LYS A 50 1.270 10.872 -1.422 1.00 0.00 C ATOM 441 CD LYS A 50 0.093 10.217 -0.696 1.00 0.00 C ATOM 442 CE LYS A 50 -1.186 11.047 -0.874 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.347 10.422 -0.183 1.00 0.00 N ATOM 0 H LYS A 50 4.569 8.779 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 50 3.454 10.601 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.285 8.975 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.766 10.005 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.437 11.880 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.056 10.964 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.064 9.210 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.323 10.118 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.026 12.051 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.407 11.151 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.193 11.010 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.515 9.473 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.145 10.345 0.834 1.00 0.00 H new ATOM 457 N GLU A 51 4.925 11.962 -0.465 1.00 0.00 N ATOM 458 CA GLU A 51 5.496 13.223 0.031 1.00 0.00 C ATOM 459 C GLU A 51 6.595 13.770 -0.902 1.00 0.00 C ATOM 460 O GLU A 51 6.631 14.971 -1.171 1.00 0.00 O ATOM 461 CB GLU A 51 6.058 13.008 1.440 1.00 0.00 C ATOM 462 CG GLU A 51 4.985 12.790 2.512 1.00 0.00 C ATOM 463 CD GLU A 51 5.632 12.555 3.892 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.441 11.607 4.039 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.339 13.326 4.840 1.00 0.00 O ATOM 0 H GLU A 51 5.137 11.158 0.126 1.00 0.00 H new ATOM 0 HA GLU A 51 4.698 13.965 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.724 12.145 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.662 13.873 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.327 13.658 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.366 11.934 2.245 1.00 0.00 H new ATOM 472 N VAL A 52 7.444 12.895 -1.461 1.00 0.00 N ATOM 473 CA VAL A 52 8.414 13.249 -2.517 1.00 0.00 C ATOM 474 C VAL A 52 7.692 13.734 -3.781 1.00 0.00 C ATOM 475 O VAL A 52 8.049 14.768 -4.338 1.00 0.00 O ATOM 476 CB VAL A 52 9.332 12.046 -2.829 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.198 12.258 -4.077 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.291 11.774 -1.664 1.00 0.00 C ATOM 0 H VAL A 52 7.480 11.912 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 52 9.036 14.068 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 52 8.656 11.207 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.820 11.378 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.555 12.416 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.835 13.131 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.927 10.923 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.912 12.653 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.717 11.553 -0.764 1.00 0.00 H new ATOM 488 N MET A 53 6.654 13.024 -4.228 1.00 0.00 N ATOM 489 CA MET A 53 5.909 13.267 -5.457 1.00 0.00 C ATOM 490 C MET A 53 5.135 14.579 -5.464 1.00 0.00 C ATOM 491 O MET A 53 5.112 15.252 -6.492 1.00 0.00 O ATOM 492 CB MET A 53 4.993 12.061 -5.602 1.00 0.00 C ATOM 493 CG MET A 53 3.777 12.241 -6.500 1.00 0.00 C ATOM 494 SD MET A 53 2.832 10.734 -6.894 1.00 0.00 S ATOM 495 CE MET A 53 3.940 9.429 -6.288 1.00 0.00 C ATOM 0 H MET A 53 6.294 12.221 -3.711 1.00 0.00 H new ATOM 0 HA MET A 53 6.589 13.378 -6.301 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.582 11.228 -5.987 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.646 11.774 -4.609 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.103 12.953 -6.024 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.107 12.692 -7.436 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.494 8.454 -6.482 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.899 9.498 -6.802 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.094 9.551 -5.216 1.00 0.00 H new ATOM 505 N HIS A 54 4.558 14.972 -4.327 1.00 0.00 N ATOM 506 CA HIS A 54 3.917 16.287 -4.175 1.00 0.00 C ATOM 507 C HIS A 54 4.856 17.427 -4.614 1.00 0.00 C ATOM 508 O HIS A 54 4.491 18.244 -5.462 1.00 0.00 O ATOM 509 CB HIS A 54 3.474 16.460 -2.714 1.00 0.00 C ATOM 510 CG HIS A 54 2.871 17.815 -2.432 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.578 18.222 -2.776 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.515 18.855 -1.827 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.474 19.500 -2.366 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.622 19.903 -1.793 1.00 0.00 N ATOM 0 H HIS A 54 4.520 14.394 -3.488 1.00 0.00 H new ATOM 0 HA HIS A 54 3.043 16.335 -4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.746 15.687 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.333 16.309 -2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.527 18.856 -1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.593 20.115 -2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.801 20.827 -1.400 1.00 0.00 H new ATOM 522 N TYR A 55 6.088 17.444 -4.094 1.00 0.00 N ATOM 523 CA TYR A 55 7.134 18.389 -4.498 1.00 0.00 C ATOM 524 C TYR A 55 7.771 18.090 -5.867 1.00 0.00 C ATOM 525 O TYR A 55 8.105 19.034 -6.573 1.00 0.00 O ATOM 526 CB TYR A 55 8.171 18.497 -3.375 1.00 0.00 C ATOM 527 CG TYR A 55 7.600 19.088 -2.096 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.071 20.396 -2.098 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.555 18.319 -0.916 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.495 20.930 -0.928 1.00 0.00 C ATOM 531 CE2 TYR A 55 6.987 18.851 0.258 1.00 0.00 C ATOM 532 CZ TYR A 55 6.455 20.161 0.255 1.00 0.00 C ATOM 533 OH TYR A 55 5.899 20.687 1.383 1.00 0.00 O ATOM 0 H TYR A 55 6.391 16.792 -3.370 1.00 0.00 H new ATOM 0 HA TYR A 55 6.658 19.358 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.574 17.507 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.003 19.114 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.108 20.990 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.958 17.317 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.084 21.929 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.958 18.258 1.160 1.00 0.00 H new ATOM 0 HH TYR A 55 5.949 20.031 2.109 1.00 0.00 H new ATOM 543 N LEU A 56 7.915 16.827 -6.294 1.00 0.00 N ATOM 544 CA LEU A 56 8.490 16.493 -7.611 1.00 0.00 C ATOM 545 C LEU A 56 7.584 16.902 -8.779 1.00 0.00 C ATOM 546 O LEU A 56 8.068 17.492 -9.742 1.00 0.00 O ATOM 547 CB LEU A 56 8.869 14.995 -7.700 1.00 0.00 C ATOM 548 CG LEU A 56 10.382 14.708 -7.758 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.023 15.256 -9.035 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.135 15.260 -6.550 1.00 0.00 C ATOM 0 H LEU A 56 7.640 16.013 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 56 9.403 17.082 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.449 14.478 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.399 14.569 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 56 10.466 13.621 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.089 15.031 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.556 14.793 -9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.881 16.336 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.196 15.028 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.003 16.341 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.745 14.806 -5.639 1.00 0.00 H new ATOM 562 N GLY A 57 6.274 16.667 -8.680 1.00 0.00 N ATOM 563 CA GLY A 57 5.298 17.141 -9.665 1.00 0.00 C ATOM 564 C GLY A 57 5.274 18.669 -9.742 1.00 0.00 C ATOM 565 O GLY A 57 5.354 19.235 -10.830 1.00 0.00 O ATOM 0 H GLY A 57 5.858 16.141 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.540 16.730 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.306 16.774 -9.402 1.00 0.00 H new ATOM 569 N GLN A 58 5.290 19.342 -8.585 1.00 0.00 N ATOM 570 CA GLN A 58 5.422 20.801 -8.474 1.00 0.00 C ATOM 571 C GLN A 58 6.738 21.320 -9.083 1.00 0.00 C ATOM 572 O GLN A 58 6.722 22.328 -9.792 1.00 0.00 O ATOM 573 CB GLN A 58 5.287 21.173 -6.984 1.00 0.00 C ATOM 574 CG GLN A 58 5.550 22.642 -6.618 1.00 0.00 C ATOM 575 CD GLN A 58 4.548 23.615 -7.242 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.565 24.016 -6.631 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.744 24.030 -8.478 1.00 0.00 N ATOM 0 H GLN A 58 5.210 18.878 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 58 4.634 21.284 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.279 20.915 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.976 20.550 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.521 22.749 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.556 22.914 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.557 23.706 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.082 24.675 -8.910 1.00 0.00 H new ATOM 586 N TYR A 59 7.861 20.635 -8.853 1.00 0.00 N ATOM 587 CA TYR A 59 9.178 20.989 -9.380 1.00 0.00 C ATOM 588 C TYR A 59 9.196 20.885 -10.911 1.00 0.00 C ATOM 589 O TYR A 59 9.516 21.846 -11.609 1.00 0.00 O ATOM 590 CB TYR A 59 10.234 20.078 -8.740 1.00 0.00 C ATOM 591 CG TYR A 59 11.611 20.256 -9.335 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.485 21.246 -8.849 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.984 19.457 -10.429 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.721 21.459 -9.490 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.212 19.665 -11.072 1.00 0.00 C ATOM 596 CZ TYR A 59 14.083 20.676 -10.610 1.00 0.00 C ATOM 597 OH TYR A 59 15.266 20.899 -11.244 1.00 0.00 O ATOM 0 H TYR A 59 7.878 19.793 -8.277 1.00 0.00 H new ATOM 0 HA TYR A 59 9.408 22.024 -9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.279 20.280 -7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.927 19.039 -8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.210 21.839 -7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.321 18.678 -10.776 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.393 22.222 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.491 19.054 -11.918 1.00 0.00 H new ATOM 0 HH TYR A 59 15.359 20.273 -11.992 1.00 0.00 H new ATOM 607 N ILE A 60 8.761 19.742 -11.445 1.00 0.00 N ATOM 608 CA ILE A 60 8.687 19.490 -12.890 1.00 0.00 C ATOM 609 C ILE A 60 7.715 20.477 -13.557 1.00 0.00 C ATOM 610 O ILE A 60 8.027 21.000 -14.625 1.00 0.00 O ATOM 611 CB ILE A 60 8.355 17.993 -13.115 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.593 17.144 -12.720 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.916 17.699 -14.562 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.397 15.627 -12.838 1.00 0.00 C ATOM 0 H ILE A 60 8.445 18.953 -10.880 1.00 0.00 H new ATOM 0 HA ILE A 60 9.645 19.673 -13.377 1.00 0.00 H new ATOM 0 HB ILE A 60 7.506 17.727 -12.485 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.433 17.438 -13.349 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.866 17.382 -11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.695 16.637 -14.667 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.024 18.280 -14.797 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.718 17.972 -15.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.314 15.118 -12.541 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.581 15.314 -12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.157 15.370 -13.870 1.00 0.00 H new ATOM 626 N MET A 61 6.604 20.824 -12.901 1.00 0.00 N ATOM 627 CA MET A 61 5.651 21.843 -13.360 1.00 0.00 C ATOM 628 C MET A 61 6.271 23.250 -13.428 1.00 0.00 C ATOM 629 O MET A 61 6.098 23.936 -14.435 1.00 0.00 O ATOM 630 CB MET A 61 4.414 21.810 -12.436 1.00 0.00 C ATOM 631 CG MET A 61 3.306 22.839 -12.724 1.00 0.00 C ATOM 632 SD MET A 61 2.003 22.355 -13.895 1.00 0.00 S ATOM 633 CE MET A 61 2.931 22.231 -15.443 1.00 0.00 C ATOM 0 H MET A 61 6.335 20.395 -12.016 1.00 0.00 H new ATOM 0 HA MET A 61 5.355 21.608 -14.382 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.975 20.814 -12.491 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.752 21.953 -11.410 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.830 23.096 -11.778 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.778 23.746 -13.101 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.286 22.506 -16.277 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.787 22.905 -15.409 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.280 21.207 -15.577 1.00 0.00 H new ATOM 643 N VAL A 62 6.989 23.697 -12.387 1.00 0.00 N ATOM 644 CA VAL A 62 7.537 25.065 -12.285 1.00 0.00 C ATOM 645 C VAL A 62 8.810 25.277 -13.113 1.00 0.00 C ATOM 646 O VAL A 62 9.068 26.385 -13.584 1.00 0.00 O ATOM 647 CB VAL A 62 7.681 25.484 -10.809 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.832 24.825 -10.047 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.853 26.993 -10.687 1.00 0.00 C ATOM 0 H VAL A 62 7.210 23.114 -11.580 1.00 0.00 H new ATOM 0 HA VAL A 62 6.813 25.740 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 62 6.753 25.138 -10.353 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.844 25.189 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.697 23.743 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.777 25.073 -10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.953 27.264 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.747 27.302 -11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.982 27.494 -11.110 1.00 0.00 H new ATOM 659 N LYS A 63 9.580 24.203 -13.328 1.00 0.00 N ATOM 660 CA LYS A 63 10.782 24.172 -14.186 1.00 0.00 C ATOM 661 C LYS A 63 10.511 23.680 -15.617 1.00 0.00 C ATOM 662 O LYS A 63 11.368 23.837 -16.486 1.00 0.00 O ATOM 663 CB LYS A 63 11.902 23.358 -13.503 1.00 0.00 C ATOM 664 CG LYS A 63 12.292 23.810 -12.079 1.00 0.00 C ATOM 665 CD LYS A 63 12.344 25.338 -11.905 1.00 0.00 C ATOM 666 CE LYS A 63 12.954 25.766 -10.562 1.00 0.00 C ATOM 667 NZ LYS A 63 14.443 25.694 -10.577 1.00 0.00 N ATOM 0 H LYS A 63 9.381 23.300 -12.898 1.00 0.00 H new ATOM 0 HA LYS A 63 11.113 25.204 -14.301 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.591 22.314 -13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.791 23.400 -14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.577 23.397 -11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.267 23.392 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.927 25.772 -12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.335 25.742 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.643 26.785 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.568 25.126 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.814 25.991 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.741 24.717 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.814 26.324 -11.317 1.00 0.00 H new ATOM 681 N GLN A 64 9.326 23.111 -15.869 1.00 0.00 N ATOM 682 CA GLN A 64 8.885 22.541 -17.142 1.00 0.00 C ATOM 683 C GLN A 64 9.836 21.457 -17.698 1.00 0.00 C ATOM 684 O GLN A 64 10.390 21.593 -18.792 1.00 0.00 O ATOM 685 CB GLN A 64 8.517 23.609 -18.198 1.00 0.00 C ATOM 686 CG GLN A 64 7.425 24.611 -17.790 1.00 0.00 C ATOM 687 CD GLN A 64 7.943 25.786 -16.964 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.903 26.465 -17.306 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.319 26.086 -15.848 1.00 0.00 N ATOM 0 H GLN A 64 8.610 23.033 -15.147 1.00 0.00 H new ATOM 0 HA GLN A 64 7.956 22.022 -16.906 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.418 24.167 -18.451 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.193 23.098 -19.105 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.944 24.996 -18.689 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.659 24.087 -17.218 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.517 25.532 -15.547 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.636 26.873 -15.282 1.00 0.00 H new ATOM 698 N LEU A 65 10.016 20.358 -16.948 1.00 0.00 N ATOM 699 CA LEU A 65 10.784 19.178 -17.399 1.00 0.00 C ATOM 700 C LEU A 65 9.899 18.104 -18.064 1.00 0.00 C ATOM 701 O LEU A 65 10.376 17.027 -18.420 1.00 0.00 O ATOM 702 CB LEU A 65 11.657 18.623 -16.263 1.00 0.00 C ATOM 703 CG LEU A 65 12.665 19.630 -15.675 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.584 18.873 -14.727 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.549 20.312 -16.722 1.00 0.00 C ATOM 0 H LEU A 65 9.633 20.259 -16.008 1.00 0.00 H new ATOM 0 HA LEU A 65 11.459 19.511 -18.187 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.007 18.271 -15.462 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.204 17.756 -16.634 1.00 0.00 H new ATOM 0 HG LEU A 65 12.082 20.410 -15.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.309 19.563 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.993 18.422 -13.930 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.109 18.091 -15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.230 21.005 -16.228 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.125 19.558 -17.259 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.923 20.859 -17.426 1.00 0.00 H new ATOM 717 N TYR A 66 8.609 18.399 -18.233 1.00 0.00 N ATOM 718 CA TYR A 66 7.660 17.619 -19.023 1.00 0.00 C ATOM 719 C TYR A 66 7.650 18.100 -20.482 1.00 0.00 C ATOM 720 O TYR A 66 7.944 19.269 -20.756 1.00 0.00 O ATOM 721 CB TYR A 66 6.262 17.708 -18.384 1.00 0.00 C ATOM 722 CG TYR A 66 5.657 19.105 -18.403 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.934 20.024 -17.370 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.841 19.496 -19.481 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.421 21.336 -17.432 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.308 20.799 -19.534 1.00 0.00 C ATOM 727 CZ TYR A 66 4.607 21.728 -18.519 1.00 0.00 C ATOM 728 OH TYR A 66 4.100 22.990 -18.601 1.00 0.00 O ATOM 0 H TYR A 66 8.182 19.221 -17.806 1.00 0.00 H new ATOM 0 HA TYR A 66 7.966 16.573 -19.030 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.591 17.026 -18.907 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.324 17.365 -17.351 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.541 19.722 -16.529 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.622 18.794 -20.272 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.650 22.042 -16.648 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.668 21.086 -20.355 1.00 0.00 H new ATOM 0 HH TYR A 66 3.565 23.075 -19.418 1.00 0.00 H new ATOM 738 N ASP A 67 7.293 17.226 -21.426 1.00 0.00 N ATOM 739 CA ASP A 67 7.040 17.665 -22.803 1.00 0.00 C ATOM 740 C ASP A 67 5.632 18.277 -22.893 1.00 0.00 C ATOM 741 O ASP A 67 4.648 17.620 -22.555 1.00 0.00 O ATOM 742 CB ASP A 67 7.244 16.519 -23.803 1.00 0.00 C ATOM 743 CG ASP A 67 7.231 17.038 -25.252 1.00 0.00 C ATOM 744 OD1 ASP A 67 6.210 17.620 -25.688 1.00 0.00 O ATOM 745 OD2 ASP A 67 8.252 16.880 -25.963 1.00 0.00 O ATOM 0 H ASP A 67 7.174 16.225 -21.268 1.00 0.00 H new ATOM 0 HA ASP A 67 7.764 18.434 -23.074 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.192 16.020 -23.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.458 15.775 -23.673 1.00 0.00 H new ATOM 750 N GLN A 68 5.508 19.535 -23.325 1.00 0.00 N ATOM 751 CA GLN A 68 4.228 20.256 -23.333 1.00 0.00 C ATOM 752 C GLN A 68 3.160 19.610 -24.229 1.00 0.00 C ATOM 753 O GLN A 68 1.978 19.639 -23.876 1.00 0.00 O ATOM 754 CB GLN A 68 4.452 21.738 -23.700 1.00 0.00 C ATOM 755 CG GLN A 68 4.780 22.017 -25.184 1.00 0.00 C ATOM 756 CD GLN A 68 6.116 21.435 -25.658 1.00 0.00 C ATOM 757 OE1 GLN A 68 7.099 21.356 -24.931 1.00 0.00 O ATOM 758 NE2 GLN A 68 6.200 20.983 -26.890 1.00 0.00 N ATOM 0 H GLN A 68 6.291 20.084 -23.679 1.00 0.00 H new ATOM 0 HA GLN A 68 3.829 20.195 -22.320 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.556 22.299 -23.433 1.00 0.00 H new ATOM 0 HB3 GLN A 68 5.266 22.126 -23.088 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.980 21.610 -25.803 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.790 23.095 -25.345 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.392 21.040 -27.510 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.073 20.575 -27.225 1.00 0.00 H new ATOM 767 N GLN A 69 3.561 19.017 -25.362 1.00 0.00 N ATOM 768 CA GLN A 69 2.644 18.443 -26.342 1.00 0.00 C ATOM 769 C GLN A 69 2.206 17.016 -25.950 1.00 0.00 C ATOM 770 O GLN A 69 1.127 16.559 -26.330 1.00 0.00 O ATOM 771 CB GLN A 69 3.287 18.558 -27.735 1.00 0.00 C ATOM 772 CG GLN A 69 4.078 17.330 -28.204 1.00 0.00 C ATOM 773 CD GLN A 69 5.260 17.701 -29.094 1.00 0.00 C ATOM 774 OE1 GLN A 69 5.160 17.811 -30.310 1.00 0.00 O ATOM 775 NE2 GLN A 69 6.419 17.922 -28.512 1.00 0.00 N ATOM 0 H GLN A 69 4.543 18.924 -25.622 1.00 0.00 H new ATOM 0 HA GLN A 69 1.709 19.003 -26.366 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.501 18.761 -28.462 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.954 19.420 -27.737 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.440 16.781 -27.335 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.413 16.660 -28.749 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.507 17.832 -27.500 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.230 18.184 -29.073 1.00 0.00 H new ATOM 784 N GLU A 70 3.046 16.333 -25.162 1.00 0.00 N ATOM 785 CA GLU A 70 2.873 14.964 -24.664 1.00 0.00 C ATOM 786 C GLU A 70 3.338 14.855 -23.198 1.00 0.00 C ATOM 787 O GLU A 70 4.384 14.282 -22.889 1.00 0.00 O ATOM 788 CB GLU A 70 3.611 13.968 -25.583 1.00 0.00 C ATOM 789 CG GLU A 70 2.904 13.790 -26.932 1.00 0.00 C ATOM 790 CD GLU A 70 3.446 12.567 -27.694 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.451 12.698 -28.436 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.858 11.464 -27.564 1.00 0.00 O ATOM 0 H GLU A 70 3.919 16.748 -24.835 1.00 0.00 H new ATOM 0 HA GLU A 70 1.814 14.708 -24.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.629 14.318 -25.752 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.685 13.002 -25.084 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.832 13.674 -26.770 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.040 14.687 -27.537 1.00 0.00 H new ATOM 799 N GLN A 71 2.528 15.389 -22.272 1.00 0.00 N ATOM 800 CA GLN A 71 2.800 15.417 -20.824 1.00 0.00 C ATOM 801 C GLN A 71 3.008 14.034 -20.182 1.00 0.00 C ATOM 802 O GLN A 71 3.570 13.944 -19.089 1.00 0.00 O ATOM 803 CB GLN A 71 1.655 16.184 -20.143 1.00 0.00 C ATOM 804 CG GLN A 71 1.893 17.689 -20.311 1.00 0.00 C ATOM 805 CD GLN A 71 0.626 18.541 -20.298 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.173 18.515 -19.370 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.401 19.339 -21.324 1.00 0.00 N ATOM 0 H GLN A 71 1.639 15.826 -22.515 1.00 0.00 H new ATOM 0 HA GLN A 71 3.755 15.921 -20.677 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.699 15.903 -20.584 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.606 15.926 -19.085 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.552 18.030 -19.513 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.418 17.857 -21.251 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.060 19.368 -22.102 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.432 19.927 -21.340 1.00 0.00 H new ATOM 816 N HIS A 72 2.633 12.953 -20.880 1.00 0.00 N ATOM 817 CA HIS A 72 2.970 11.579 -20.497 1.00 0.00 C ATOM 818 C HIS A 72 4.475 11.255 -20.612 1.00 0.00 C ATOM 819 O HIS A 72 4.860 10.159 -20.217 1.00 0.00 O ATOM 820 CB HIS A 72 2.096 10.574 -21.269 1.00 0.00 C ATOM 821 CG HIS A 72 2.487 10.372 -22.716 1.00 0.00 C ATOM 822 ND1 HIS A 72 3.509 9.530 -23.161 1.00 0.00 N ATOM 823 CD2 HIS A 72 1.908 10.970 -23.799 1.00 0.00 C ATOM 824 CE1 HIS A 72 3.545 9.660 -24.497 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.587 10.507 -24.907 1.00 0.00 N ATOM 0 H HIS A 72 2.081 13.011 -21.736 1.00 0.00 H new ATOM 0 HA HIS A 72 2.745 11.484 -19.435 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.137 9.612 -20.759 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.060 10.911 -21.231 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.083 11.667 -23.790 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.244 9.156 -25.148 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.394 10.765 -25.875 1.00 0.00 H new ATOM 833 N MET A 73 5.329 12.185 -21.068 1.00 0.00 N ATOM 834 CA MET A 73 6.799 12.098 -21.037 1.00 0.00 C ATOM 835 C MET A 73 7.457 13.200 -20.182 1.00 0.00 C ATOM 836 O MET A 73 7.087 14.376 -20.244 1.00 0.00 O ATOM 837 CB MET A 73 7.358 12.059 -22.473 1.00 0.00 C ATOM 838 CG MET A 73 8.885 12.230 -22.525 1.00 0.00 C ATOM 839 SD MET A 73 9.694 11.648 -24.037 1.00 0.00 S ATOM 840 CE MET A 73 10.201 10.003 -23.460 1.00 0.00 C ATOM 0 H MET A 73 5.001 13.055 -21.486 1.00 0.00 H new ATOM 0 HA MET A 73 7.060 11.164 -20.540 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.088 11.111 -22.937 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.889 12.847 -23.062 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.118 13.287 -22.395 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.320 11.701 -21.677 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.723 9.481 -24.262 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.865 10.107 -22.602 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.319 9.432 -23.169 1.00 0.00 H new ATOM 850 N VAL A 74 8.499 12.805 -19.438 1.00 0.00 N ATOM 851 CA VAL A 74 9.443 13.655 -18.690 1.00 0.00 C ATOM 852 C VAL A 74 10.848 13.505 -19.280 1.00 0.00 C ATOM 853 O VAL A 74 11.254 12.410 -19.669 1.00 0.00 O ATOM 854 CB VAL A 74 9.429 13.300 -17.187 1.00 0.00 C ATOM 855 CG1 VAL A 74 10.557 13.948 -16.375 1.00 0.00 C ATOM 856 CG2 VAL A 74 8.112 13.753 -16.558 1.00 0.00 C ATOM 0 H VAL A 74 8.722 11.815 -19.334 1.00 0.00 H new ATOM 0 HA VAL A 74 9.134 14.696 -18.783 1.00 0.00 H new ATOM 0 HB VAL A 74 9.563 12.219 -17.150 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.473 13.647 -15.331 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.521 13.626 -16.769 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.480 15.033 -16.447 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.109 13.499 -15.498 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.006 14.832 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.281 13.251 -17.053 1.00 0.00 H new ATOM 866 N TYR A 75 11.600 14.606 -19.330 1.00 0.00 N ATOM 867 CA TYR A 75 12.905 14.708 -19.979 1.00 0.00 C ATOM 868 C TYR A 75 14.005 15.180 -19.003 1.00 0.00 C ATOM 869 O TYR A 75 14.717 16.154 -19.256 1.00 0.00 O ATOM 870 CB TYR A 75 12.743 15.579 -21.237 1.00 0.00 C ATOM 871 CG TYR A 75 13.756 15.267 -22.319 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.534 14.166 -23.167 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.910 16.057 -22.473 1.00 0.00 C ATOM 874 CE1 TYR A 75 14.467 13.850 -24.174 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.847 15.745 -23.477 1.00 0.00 C ATOM 876 CZ TYR A 75 15.628 14.641 -24.332 1.00 0.00 C ATOM 877 OH TYR A 75 16.539 14.348 -25.302 1.00 0.00 O ATOM 0 H TYR A 75 11.304 15.484 -18.903 1.00 0.00 H new ATOM 0 HA TYR A 75 13.256 13.726 -20.296 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.739 15.441 -21.639 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.833 16.629 -20.957 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.647 13.562 -23.046 1.00 0.00 H new ATOM 0 HD2 TYR A 75 15.077 16.902 -21.822 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.296 13.005 -24.824 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.734 16.350 -23.594 1.00 0.00 H new ATOM 0 HH TYR A 75 17.274 14.996 -25.267 1.00 0.00 H new ATOM 887 N CYS A 76 14.149 14.505 -17.851 1.00 0.00 N ATOM 888 CA CYS A 76 15.157 14.866 -16.840 1.00 0.00 C ATOM 889 C CYS A 76 16.600 14.464 -17.211 1.00 0.00 C ATOM 890 O CYS A 76 17.510 14.718 -16.425 1.00 0.00 O ATOM 891 CB CYS A 76 14.778 14.345 -15.443 1.00 0.00 C ATOM 892 SG CYS A 76 13.392 15.295 -14.755 1.00 0.00 S ATOM 0 H CYS A 76 13.576 13.701 -17.595 1.00 0.00 H new ATOM 0 HA CYS A 76 15.152 15.956 -16.816 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.507 13.291 -15.504 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.639 14.415 -14.778 1.00 0.00 H new ATOM 0 HG CYS A 76 13.091 14.833 -13.578 1.00 0.00 H new ATOM 898 N GLY A 77 16.855 13.884 -18.393 1.00 0.00 N ATOM 899 CA GLY A 77 18.212 13.590 -18.884 1.00 0.00 C ATOM 900 C GLY A 77 19.133 14.818 -19.000 1.00 0.00 C ATOM 901 O GLY A 77 20.353 14.677 -18.903 1.00 0.00 O ATOM 0 H GLY A 77 16.120 13.603 -19.042 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.677 12.866 -18.215 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.135 13.116 -19.863 1.00 0.00 H new ATOM 905 N GLY A 78 18.560 16.020 -19.133 1.00 0.00 N ATOM 906 CA GLY A 78 19.275 17.305 -19.084 1.00 0.00 C ATOM 907 C GLY A 78 19.432 17.919 -17.680 1.00 0.00 C ATOM 908 O GLY A 78 19.951 19.032 -17.568 1.00 0.00 O ATOM 0 H GLY A 78 17.557 16.131 -19.282 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.267 17.167 -19.515 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.749 18.019 -19.718 1.00 0.00 H new ATOM 912 N ASP A 79 18.970 17.246 -16.618 1.00 0.00 N ATOM 913 CA ASP A 79 18.917 17.769 -15.242 1.00 0.00 C ATOM 914 C ASP A 79 19.900 17.061 -14.283 1.00 0.00 C ATOM 915 O ASP A 79 20.679 16.201 -14.693 1.00 0.00 O ATOM 916 CB ASP A 79 17.465 17.683 -14.741 1.00 0.00 C ATOM 917 CG ASP A 79 17.213 18.753 -13.669 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.089 19.948 -14.032 1.00 0.00 O ATOM 919 OD2 ASP A 79 17.248 18.397 -12.470 1.00 0.00 O ATOM 0 H ASP A 79 18.612 16.294 -16.692 1.00 0.00 H new ATOM 0 HA ASP A 79 19.242 18.809 -15.257 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.776 17.822 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.272 16.692 -14.330 1.00 0.00 H new ATOM 924 N LEU A 80 19.852 17.381 -12.985 1.00 0.00 N ATOM 925 CA LEU A 80 20.665 16.743 -11.945 1.00 0.00 C ATOM 926 C LEU A 80 20.326 15.248 -11.792 1.00 0.00 C ATOM 927 O LEU A 80 21.214 14.429 -11.555 1.00 0.00 O ATOM 928 CB LEU A 80 20.443 17.468 -10.597 1.00 0.00 C ATOM 929 CG LEU A 80 21.166 18.810 -10.365 1.00 0.00 C ATOM 930 CD1 LEU A 80 22.685 18.644 -10.353 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.799 19.896 -11.376 1.00 0.00 C ATOM 0 H LEU A 80 19.234 18.106 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 80 21.711 16.819 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.373 17.642 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.740 16.787 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 80 20.819 19.137 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 80 23.156 19.613 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 22.970 17.960 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 80 23.014 18.240 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.349 20.809 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.058 19.561 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.728 20.094 -11.324 1.00 0.00 H new ATOM 943 N LEU A 81 19.056 14.871 -11.991 1.00 0.00 N ATOM 944 CA LEU A 81 18.632 13.461 -12.008 1.00 0.00 C ATOM 945 C LEU A 81 19.270 12.726 -13.209 1.00 0.00 C ATOM 946 O LEU A 81 19.758 11.597 -13.097 1.00 0.00 O ATOM 947 CB LEU A 81 17.084 13.422 -12.013 1.00 0.00 C ATOM 948 CG LEU A 81 16.468 12.265 -11.205 1.00 0.00 C ATOM 949 CD1 LEU A 81 16.594 12.452 -9.690 1.00 0.00 C ATOM 950 CD2 LEU A 81 14.980 12.138 -11.529 1.00 0.00 C ATOM 0 H LEU A 81 18.294 15.531 -12.145 1.00 0.00 H new ATOM 0 HA LEU A 81 18.978 12.933 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.709 14.365 -11.616 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.739 13.351 -13.045 1.00 0.00 H new ATOM 0 HG LEU A 81 17.023 11.372 -11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.140 11.602 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.647 12.519 -9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.084 13.368 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.551 11.318 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.471 13.067 -11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.855 11.939 -12.593 1.00 0.00 H new ATOM 962 N GLY A 82 19.350 13.427 -14.342 1.00 0.00 N ATOM 963 CA GLY A 82 20.066 13.005 -15.539 1.00 0.00 C ATOM 964 C GLY A 82 21.579 12.875 -15.335 1.00 0.00 C ATOM 965 O GLY A 82 22.149 11.883 -15.779 1.00 0.00 O ATOM 0 H GLY A 82 18.900 14.336 -14.451 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.669 12.046 -15.871 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.876 13.722 -16.338 1.00 0.00 H new ATOM 969 N GLU A 83 22.242 13.783 -14.608 1.00 0.00 N ATOM 970 CA GLU A 83 23.683 13.664 -14.346 1.00 0.00 C ATOM 971 C GLU A 83 23.995 12.549 -13.328 1.00 0.00 C ATOM 972 O GLU A 83 25.043 11.904 -13.414 1.00 0.00 O ATOM 973 CB GLU A 83 24.302 15.035 -13.993 1.00 0.00 C ATOM 974 CG GLU A 83 24.394 15.398 -12.506 1.00 0.00 C ATOM 975 CD GLU A 83 25.392 16.552 -12.272 1.00 0.00 C ATOM 976 OE1 GLU A 83 25.248 17.637 -12.887 1.00 0.00 O ATOM 977 OE2 GLU A 83 26.344 16.380 -11.470 1.00 0.00 O ATOM 0 H GLU A 83 21.806 14.606 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 83 24.172 13.346 -15.267 1.00 0.00 H new ATOM 0 HB2 GLU A 83 25.307 15.070 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.720 15.808 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.409 15.686 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.705 14.524 -11.934 1.00 0.00 H new ATOM 984 N LEU A 84 23.060 12.275 -12.405 1.00 0.00 N ATOM 985 CA LEU A 84 23.111 11.158 -11.467 1.00 0.00 C ATOM 986 C LEU A 84 23.020 9.801 -12.193 1.00 0.00 C ATOM 987 O LEU A 84 23.853 8.927 -11.946 1.00 0.00 O ATOM 988 CB LEU A 84 21.987 11.380 -10.432 1.00 0.00 C ATOM 989 CG LEU A 84 21.625 10.167 -9.566 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.779 9.694 -8.681 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.442 10.513 -8.663 1.00 0.00 C ATOM 0 H LEU A 84 22.223 12.847 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 84 24.070 11.124 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.282 12.197 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.091 11.705 -10.961 1.00 0.00 H new ATOM 0 HG LEU A 84 21.378 9.360 -10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.458 8.834 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.625 9.411 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.077 10.500 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.188 9.649 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.709 11.350 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.584 10.787 -9.277 1.00 0.00 H new ATOM 1003 N LEU A 85 22.036 9.614 -13.088 1.00 0.00 N ATOM 1004 CA LEU A 85 21.777 8.314 -13.734 1.00 0.00 C ATOM 1005 C LEU A 85 22.384 8.179 -15.151 1.00 0.00 C ATOM 1006 O LEU A 85 22.270 7.130 -15.785 1.00 0.00 O ATOM 1007 CB LEU A 85 20.248 8.074 -13.689 1.00 0.00 C ATOM 1008 CG LEU A 85 19.749 6.678 -13.264 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.116 5.562 -14.231 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.246 6.281 -11.870 1.00 0.00 C ATOM 0 H LEU A 85 21.400 10.355 -13.384 1.00 0.00 H new ATOM 0 HA LEU A 85 22.293 7.528 -13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.815 8.806 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.847 8.285 -14.680 1.00 0.00 H new ATOM 0 HG LEU A 85 18.664 6.785 -13.262 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.728 4.615 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.683 5.771 -15.209 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.201 5.500 -14.320 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.868 5.291 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.336 6.266 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.889 7.004 -11.137 1.00 0.00 H new ATOM 1022 N GLY A 86 22.966 9.244 -15.707 1.00 0.00 N ATOM 1023 CA GLY A 86 23.411 9.342 -17.109 1.00 0.00 C ATOM 1024 C GLY A 86 22.263 9.593 -18.105 1.00 0.00 C ATOM 1025 O GLY A 86 22.466 10.221 -19.148 1.00 0.00 O ATOM 0 H GLY A 86 23.150 10.096 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.138 10.149 -17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.924 8.420 -17.384 1.00 0.00 H new ATOM 1029 N ARG A 87 21.051 9.133 -17.762 1.00 0.00 N ATOM 1030 CA ARG A 87 19.776 9.315 -18.480 1.00 0.00 C ATOM 1031 C ARG A 87 18.594 9.216 -17.507 1.00 0.00 C ATOM 1032 O ARG A 87 18.502 8.261 -16.746 1.00 0.00 O ATOM 1033 CB ARG A 87 19.659 8.304 -19.651 1.00 0.00 C ATOM 1034 CG ARG A 87 19.431 6.813 -19.316 1.00 0.00 C ATOM 1035 CD ARG A 87 20.429 6.243 -18.300 1.00 0.00 C ATOM 1036 NE ARG A 87 20.327 4.779 -18.169 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.180 3.988 -17.540 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.174 4.454 -16.836 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.047 2.694 -17.606 1.00 0.00 N ATOM 0 H ARG A 87 20.924 8.583 -16.913 1.00 0.00 H new ATOM 0 HA ARG A 87 19.754 10.314 -18.916 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.838 8.630 -20.290 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.571 8.375 -20.243 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.421 6.689 -18.926 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.492 6.231 -20.236 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.442 6.508 -18.603 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.256 6.704 -17.328 1.00 0.00 H new ATOM 0 HE ARG A 87 19.521 4.332 -18.606 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.314 5.461 -16.756 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.811 3.811 -16.365 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.282 2.287 -18.145 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.707 2.088 -17.119 1.00 0.00 H new ATOM 1053 N GLN A 88 17.692 10.193 -17.522 1.00 0.00 N ATOM 1054 CA GLN A 88 16.456 10.205 -16.716 1.00 0.00 C ATOM 1055 C GLN A 88 15.292 10.777 -17.543 1.00 0.00 C ATOM 1056 O GLN A 88 14.475 11.559 -17.067 1.00 0.00 O ATOM 1057 CB GLN A 88 16.707 10.888 -15.346 1.00 0.00 C ATOM 1058 CG GLN A 88 16.934 9.869 -14.210 1.00 0.00 C ATOM 1059 CD GLN A 88 15.653 9.245 -13.648 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.547 9.461 -14.117 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.748 8.456 -12.595 1.00 0.00 N ATOM 0 H GLN A 88 17.795 11.023 -18.106 1.00 0.00 H new ATOM 0 HA GLN A 88 16.150 9.190 -16.463 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.576 11.541 -15.423 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.855 11.520 -15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.580 9.072 -14.578 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.469 10.363 -13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.661 8.260 -12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.908 8.042 -12.191 1.00 0.00 H new ATOM 1070 N SER A 89 15.236 10.394 -18.821 1.00 0.00 N ATOM 1071 CA SER A 89 14.079 10.669 -19.688 1.00 0.00 C ATOM 1072 C SER A 89 13.260 9.390 -19.856 1.00 0.00 C ATOM 1073 O SER A 89 13.802 8.310 -20.105 1.00 0.00 O ATOM 1074 CB SER A 89 14.474 11.285 -21.025 1.00 0.00 C ATOM 1075 OG SER A 89 15.367 12.372 -20.806 1.00 0.00 O ATOM 0 H SER A 89 15.988 9.885 -19.287 1.00 0.00 H new ATOM 0 HA SER A 89 13.459 11.423 -19.203 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.948 10.534 -21.657 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.586 11.632 -21.553 1.00 0.00 H new ATOM 0 HG SER A 89 15.082 13.142 -21.341 1.00 0.00 H new ATOM 1081 N PHE A 90 11.950 9.520 -19.678 1.00 0.00 N ATOM 1082 CA PHE A 90 11.000 8.409 -19.538 1.00 0.00 C ATOM 1083 C PHE A 90 9.559 8.849 -19.748 1.00 0.00 C ATOM 1084 O PHE A 90 9.237 10.039 -19.754 1.00 0.00 O ATOM 1085 CB PHE A 90 11.139 7.827 -18.116 1.00 0.00 C ATOM 1086 CG PHE A 90 10.707 8.765 -16.996 1.00 0.00 C ATOM 1087 CD1 PHE A 90 11.585 9.761 -16.528 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.448 8.613 -16.384 1.00 0.00 C ATOM 1089 CE1 PHE A 90 11.216 10.594 -15.459 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.071 9.456 -15.322 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.955 10.445 -14.856 1.00 0.00 C ATOM 0 H PHE A 90 11.498 10.433 -19.625 1.00 0.00 H new ATOM 0 HA PHE A 90 11.233 7.667 -20.302 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.548 6.913 -18.053 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.180 7.546 -17.954 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.551 9.886 -16.995 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.770 7.847 -16.731 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.901 11.348 -15.101 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.100 9.343 -14.864 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.666 11.088 -14.038 1.00 0.00 H new ATOM 1101 N SER A 91 8.681 7.856 -19.854 1.00 0.00 N ATOM 1102 CA SER A 91 7.246 8.084 -19.911 1.00 0.00 C ATOM 1103 C SER A 91 6.574 7.659 -18.609 1.00 0.00 C ATOM 1104 O SER A 91 6.831 6.592 -18.052 1.00 0.00 O ATOM 1105 CB SER A 91 6.721 7.327 -21.129 1.00 0.00 C ATOM 1106 OG SER A 91 7.044 8.041 -22.313 1.00 0.00 O ATOM 0 H SER A 91 8.947 6.872 -19.903 1.00 0.00 H new ATOM 0 HA SER A 91 7.015 9.144 -20.019 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.157 6.329 -21.164 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.641 7.200 -21.053 1.00 0.00 H new ATOM 0 HG SER A 91 6.707 7.552 -23.092 1.00 0.00 H new ATOM 1112 N VAL A 92 5.679 8.524 -18.141 1.00 0.00 N ATOM 1113 CA VAL A 92 5.043 8.472 -16.819 1.00 0.00 C ATOM 1114 C VAL A 92 3.910 7.438 -16.729 1.00 0.00 C ATOM 1115 O VAL A 92 3.598 6.934 -15.650 1.00 0.00 O ATOM 1116 CB VAL A 92 4.621 9.887 -16.348 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.855 9.966 -14.847 1.00 0.00 C ATOM 1118 CG2 VAL A 92 5.447 11.047 -16.928 1.00 0.00 C ATOM 0 H VAL A 92 5.359 9.319 -18.695 1.00 0.00 H new ATOM 0 HA VAL A 92 5.795 8.113 -16.117 1.00 0.00 H new ATOM 0 HB VAL A 92 3.588 10.001 -16.676 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.567 10.953 -14.485 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.256 9.206 -14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.910 9.796 -14.634 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.072 11.992 -16.536 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.493 10.926 -16.645 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.363 11.046 -18.015 1.00 0.00 H new ATOM 1128 N LYS A 93 3.322 7.087 -17.883 1.00 0.00 N ATOM 1129 CA LYS A 93 2.231 6.105 -18.045 1.00 0.00 C ATOM 1130 C LYS A 93 2.668 4.629 -18.045 1.00 0.00 C ATOM 1131 O LYS A 93 1.826 3.735 -18.114 1.00 0.00 O ATOM 1132 CB LYS A 93 1.446 6.449 -19.325 1.00 0.00 C ATOM 1133 CG LYS A 93 2.264 6.268 -20.618 1.00 0.00 C ATOM 1134 CD LYS A 93 1.411 6.545 -21.862 1.00 0.00 C ATOM 1135 CE LYS A 93 2.252 6.312 -23.125 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.465 6.568 -24.363 1.00 0.00 N ATOM 0 H LYS A 93 3.605 7.498 -18.773 1.00 0.00 H new ATOM 0 HA LYS A 93 1.601 6.192 -17.160 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.557 5.820 -19.376 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.102 7.482 -19.264 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.121 6.941 -20.605 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.657 5.252 -20.663 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.538 5.893 -21.869 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.043 7.571 -21.842 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.125 6.964 -23.107 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.621 5.286 -23.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.064 6.401 -25.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.646 5.928 -24.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.134 7.554 -24.367 1.00 0.00 H new ATOM 1150 N ASP A 94 3.976 4.378 -18.010 1.00 0.00 N ATOM 1151 CA ASP A 94 4.616 3.071 -18.192 1.00 0.00 C ATOM 1152 C ASP A 94 5.355 2.637 -16.900 1.00 0.00 C ATOM 1153 O ASP A 94 6.540 2.942 -16.733 1.00 0.00 O ATOM 1154 CB ASP A 94 5.510 3.132 -19.443 1.00 0.00 C ATOM 1155 CG ASP A 94 5.944 1.743 -19.951 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.537 0.704 -19.377 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.668 1.688 -20.975 1.00 0.00 O ATOM 0 H ASP A 94 4.657 5.120 -17.845 1.00 0.00 H new ATOM 0 HA ASP A 94 3.873 2.292 -18.365 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.975 3.651 -20.238 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.398 3.723 -19.218 1.00 0.00 H new ATOM 1162 N PRO A 95 4.664 1.985 -15.940 1.00 0.00 N ATOM 1163 CA PRO A 95 5.187 1.689 -14.602 1.00 0.00 C ATOM 1164 C PRO A 95 6.438 0.796 -14.565 1.00 0.00 C ATOM 1165 O PRO A 95 7.321 1.041 -13.744 1.00 0.00 O ATOM 1166 CB PRO A 95 4.021 1.051 -13.831 1.00 0.00 C ATOM 1167 CG PRO A 95 3.053 0.586 -14.917 1.00 0.00 C ATOM 1168 CD PRO A 95 3.251 1.650 -15.989 1.00 0.00 C ATOM 0 HA PRO A 95 5.539 2.617 -14.151 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.360 0.216 -13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.549 1.769 -13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.297 -0.412 -15.282 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.024 0.552 -14.560 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.970 1.274 -16.973 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.632 2.526 -15.793 1.00 0.00 H new ATOM 1176 N SER A 96 6.567 -0.206 -15.442 1.00 0.00 N ATOM 1177 CA SER A 96 7.692 -1.162 -15.402 1.00 0.00 C ATOM 1178 C SER A 96 9.081 -0.505 -15.535 1.00 0.00 C ATOM 1179 O SER A 96 9.905 -0.693 -14.633 1.00 0.00 O ATOM 1180 CB SER A 96 7.530 -2.274 -16.444 1.00 0.00 C ATOM 1181 OG SER A 96 6.353 -3.029 -16.183 1.00 0.00 O ATOM 0 H SER A 96 5.903 -0.381 -16.196 1.00 0.00 H new ATOM 0 HA SER A 96 7.650 -1.599 -14.404 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.478 -1.841 -17.443 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.401 -2.929 -16.425 1.00 0.00 H new ATOM 0 HG SER A 96 6.261 -3.735 -16.857 1.00 0.00 H new ATOM 1187 N PRO A 97 9.375 0.298 -16.584 1.00 0.00 N ATOM 1188 CA PRO A 97 10.650 1.010 -16.681 1.00 0.00 C ATOM 1189 C PRO A 97 10.782 2.149 -15.653 1.00 0.00 C ATOM 1190 O PRO A 97 11.898 2.506 -15.273 1.00 0.00 O ATOM 1191 CB PRO A 97 10.712 1.547 -18.116 1.00 0.00 C ATOM 1192 CG PRO A 97 9.242 1.724 -18.489 1.00 0.00 C ATOM 1193 CD PRO A 97 8.591 0.534 -17.791 1.00 0.00 C ATOM 0 HA PRO A 97 11.479 0.339 -16.456 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.257 2.490 -18.170 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.216 0.849 -18.785 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.843 2.674 -18.133 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.089 1.698 -19.568 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.551 0.747 -17.545 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.593 -0.345 -18.435 1.00 0.00 H new ATOM 1201 N LEU A 98 9.665 2.708 -15.168 1.00 0.00 N ATOM 1202 CA LEU A 98 9.644 3.771 -14.171 1.00 0.00 C ATOM 1203 C LEU A 98 10.144 3.255 -12.811 1.00 0.00 C ATOM 1204 O LEU A 98 11.042 3.852 -12.218 1.00 0.00 O ATOM 1205 CB LEU A 98 8.216 4.356 -14.149 1.00 0.00 C ATOM 1206 CG LEU A 98 7.894 5.237 -12.938 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.749 6.498 -12.910 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.417 5.630 -12.942 1.00 0.00 C ATOM 0 H LEU A 98 8.733 2.423 -15.469 1.00 0.00 H new ATOM 0 HA LEU A 98 10.333 4.577 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.066 4.942 -15.056 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.502 3.533 -14.180 1.00 0.00 H new ATOM 0 HG LEU A 98 8.118 4.651 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.489 7.095 -12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.802 6.222 -12.861 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.568 7.080 -13.813 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.205 6.256 -12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.190 6.183 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.801 4.732 -12.900 1.00 0.00 H new ATOM 1220 N TYR A 99 9.624 2.118 -12.342 1.00 0.00 N ATOM 1221 CA TYR A 99 10.038 1.488 -11.084 1.00 0.00 C ATOM 1222 C TYR A 99 11.514 1.061 -11.096 1.00 0.00 C ATOM 1223 O TYR A 99 12.196 1.201 -10.082 1.00 0.00 O ATOM 1224 CB TYR A 99 9.129 0.280 -10.808 1.00 0.00 C ATOM 1225 CG TYR A 99 7.637 0.539 -10.613 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.136 1.798 -10.213 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.739 -0.529 -10.818 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.751 1.990 -10.039 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.355 -0.344 -10.636 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.855 0.918 -10.251 1.00 0.00 C ATOM 1231 OH TYR A 99 3.514 1.089 -10.084 1.00 0.00 O ATOM 0 H TYR A 99 8.893 1.601 -12.832 1.00 0.00 H new ATOM 0 HA TYR A 99 9.937 2.225 -10.287 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.242 -0.420 -11.636 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.501 -0.221 -9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.818 2.617 -10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.116 -1.496 -11.117 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.374 2.958 -9.743 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.675 -1.169 -10.791 1.00 0.00 H new ATOM 0 HH TYR A 99 3.051 0.246 -10.273 1.00 0.00 H new ATOM 1241 N ASP A 100 12.034 0.604 -12.240 1.00 0.00 N ATOM 1242 CA ASP A 100 13.438 0.195 -12.400 1.00 0.00 C ATOM 1243 C ASP A 100 14.427 1.336 -12.105 1.00 0.00 C ATOM 1244 O ASP A 100 15.422 1.141 -11.405 1.00 0.00 O ATOM 1245 CB ASP A 100 13.642 -0.311 -13.831 1.00 0.00 C ATOM 1246 CG ASP A 100 15.007 -1.000 -13.995 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.174 -2.139 -13.497 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.914 -0.411 -14.631 1.00 0.00 O ATOM 0 H ASP A 100 11.486 0.506 -13.094 1.00 0.00 H new ATOM 0 HA ASP A 100 13.642 -0.593 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.847 -1.011 -14.088 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.569 0.524 -14.527 1.00 0.00 H new ATOM 1253 N MET A 101 14.115 2.544 -12.587 1.00 0.00 N ATOM 1254 CA MET A 101 14.864 3.770 -12.270 1.00 0.00 C ATOM 1255 C MET A 101 14.633 4.243 -10.833 1.00 0.00 C ATOM 1256 O MET A 101 15.580 4.574 -10.123 1.00 0.00 O ATOM 1257 CB MET A 101 14.418 4.916 -13.177 1.00 0.00 C ATOM 1258 CG MET A 101 14.649 4.740 -14.676 1.00 0.00 C ATOM 1259 SD MET A 101 14.218 6.234 -15.619 1.00 0.00 S ATOM 1260 CE MET A 101 12.605 6.651 -14.882 1.00 0.00 C ATOM 0 H MET A 101 13.327 2.702 -13.215 1.00 0.00 H new ATOM 0 HA MET A 101 15.915 3.521 -12.414 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.353 5.082 -13.015 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.934 5.822 -12.858 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.695 4.490 -14.854 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.055 3.901 -15.037 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.887 6.865 -15.674 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.249 5.810 -14.287 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.713 7.528 -14.243 1.00 0.00 H new ATOM 1270 N LEU A 102 13.377 4.324 -10.393 1.00 0.00 N ATOM 1271 CA LEU A 102 12.996 4.846 -9.078 1.00 0.00 C ATOM 1272 C LEU A 102 13.652 4.039 -7.958 1.00 0.00 C ATOM 1273 O LEU A 102 14.241 4.655 -7.081 1.00 0.00 O ATOM 1274 CB LEU A 102 11.456 4.928 -8.976 1.00 0.00 C ATOM 1275 CG LEU A 102 10.820 6.281 -9.381 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.944 7.291 -8.239 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.428 6.934 -10.625 1.00 0.00 C ATOM 0 H LEU A 102 12.579 4.023 -10.952 1.00 0.00 H new ATOM 0 HA LEU A 102 13.372 5.862 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.028 4.146 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.167 4.707 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 102 9.784 6.032 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.492 8.237 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.431 6.908 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.997 7.449 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.917 7.875 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.487 7.126 -10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.313 6.267 -11.479 1.00 0.00 H new ATOM 1289 N ARG A 103 13.750 2.708 -8.070 1.00 0.00 N ATOM 1290 CA ARG A 103 14.521 1.856 -7.137 1.00 0.00 C ATOM 1291 C ARG A 103 15.995 2.265 -6.963 1.00 0.00 C ATOM 1292 O ARG A 103 16.573 2.010 -5.906 1.00 0.00 O ATOM 1293 CB ARG A 103 14.418 0.391 -7.601 1.00 0.00 C ATOM 1294 CG ARG A 103 13.054 -0.210 -7.230 1.00 0.00 C ATOM 1295 CD ARG A 103 12.803 -1.534 -7.956 1.00 0.00 C ATOM 1296 NE ARG A 103 11.533 -2.130 -7.498 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.659 -2.835 -8.190 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.843 -3.146 -9.442 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.571 -3.255 -7.612 1.00 0.00 N ATOM 0 H ARG A 103 13.295 2.181 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 103 14.076 1.988 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.562 0.337 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.214 -0.196 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.008 -0.371 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.264 0.498 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.768 -1.367 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.626 -2.223 -7.767 1.00 0.00 H new ATOM 0 HE ARG A 103 11.300 -1.976 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.689 -2.842 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.141 -3.693 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.399 -3.038 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.891 -3.801 -8.141 1.00 0.00 H new ATOM 1313 N LYS A 104 16.589 2.934 -7.961 1.00 0.00 N ATOM 1314 CA LYS A 104 17.945 3.520 -7.912 1.00 0.00 C ATOM 1315 C LYS A 104 17.990 4.948 -7.353 1.00 0.00 C ATOM 1316 O LYS A 104 19.043 5.356 -6.866 1.00 0.00 O ATOM 1317 CB LYS A 104 18.590 3.460 -9.316 1.00 0.00 C ATOM 1318 CG LYS A 104 18.654 2.052 -9.938 1.00 0.00 C ATOM 1319 CD LYS A 104 19.524 1.067 -9.138 1.00 0.00 C ATOM 1320 CE LYS A 104 19.573 -0.333 -9.773 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.357 -0.370 -11.040 1.00 0.00 N ATOM 0 H LYS A 104 16.127 3.090 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 104 18.519 2.916 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.030 4.113 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.602 3.860 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.643 1.651 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.045 2.129 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.537 1.462 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.136 0.988 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 104 20.010 -1.034 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.556 -0.672 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.355 -1.338 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.928 0.276 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 21.336 -0.074 -10.851 1.00 0.00 H new ATOM 1335 N ASN A 105 16.889 5.711 -7.421 1.00 0.00 N ATOM 1336 CA ASN A 105 16.889 7.155 -7.091 1.00 0.00 C ATOM 1337 C ASN A 105 16.116 7.508 -5.797 1.00 0.00 C ATOM 1338 O ASN A 105 16.450 8.479 -5.119 1.00 0.00 O ATOM 1339 CB ASN A 105 16.351 7.927 -8.319 1.00 0.00 C ATOM 1340 CG ASN A 105 17.268 7.875 -9.531 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.004 8.797 -9.828 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.255 6.810 -10.298 1.00 0.00 N ATOM 0 H ASN A 105 15.977 5.353 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 105 17.914 7.455 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.378 7.519 -8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.193 8.969 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.854 6.768 -11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.646 6.024 -10.069 1.00 0.00 H new ATOM 1349 N LEU A 106 15.103 6.723 -5.432 1.00 0.00 N ATOM 1350 CA LEU A 106 14.203 6.898 -4.287 1.00 0.00 C ATOM 1351 C LEU A 106 14.071 5.537 -3.571 1.00 0.00 C ATOM 1352 O LEU A 106 13.613 4.561 -4.164 1.00 0.00 O ATOM 1353 CB LEU A 106 12.862 7.427 -4.846 1.00 0.00 C ATOM 1354 CG LEU A 106 11.899 8.104 -3.852 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.654 8.553 -4.614 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.450 7.205 -2.701 1.00 0.00 C ATOM 0 H LEU A 106 14.871 5.886 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 106 14.571 7.613 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.085 8.141 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.337 6.592 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 106 12.447 8.935 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.960 9.035 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.940 9.258 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.172 7.686 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.775 7.759 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.934 6.332 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.321 6.882 -2.131 1.00 0.00 H new