USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 9 THR OG1 : rot -160:sc= 0.00466 USER MOD Set 1.2: A 11 LYS NZ :NH3+ 173:sc= -1.2 (180deg=-1.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0684 (180deg=-0.634) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.94 USER MOD Single : A 20 SER OG : rot -9:sc= 0.799! USER MOD Single : A 22 THR OG1 : rot 132:sc= -0.101 USER MOD Single : A 25 ASN : amide:sc= -2.89 K(o=-2.9,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0546 (180deg=-0.42) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= -1.18 (180deg=-1.46) USER MOD Single : A 31 GLN : amide:sc= -1.97! C(o=-2!,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= -2.45! K(o=-2.4!,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.159) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.482 28.075 3.477 1.00 0.00 N ATOM 21 CA GLN A 2 26.311 29.253 3.889 1.00 0.00 C ATOM 22 C GLN A 2 25.731 29.874 5.163 1.00 0.00 C ATOM 23 O GLN A 2 24.537 29.860 5.385 1.00 0.00 O ATOM 24 CB GLN A 2 26.292 30.301 2.774 1.00 0.00 C ATOM 25 CG GLN A 2 26.984 29.741 1.530 1.00 0.00 C ATOM 26 CD GLN A 2 26.998 30.807 0.433 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.048 30.942 -0.311 1.00 0.00 O ATOM 28 NE2 GLN A 2 28.045 31.576 0.301 1.00 0.00 N ATOM 0 HA GLN A 2 27.333 28.924 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.264 30.576 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.797 31.208 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 2 28.003 29.439 1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.462 28.850 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.843 31.463 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 2 28.065 32.290 -0.427 1.00 0.00 H new ATOM 37 N ILE A 3 26.572 30.435 5.992 1.00 0.00 N ATOM 38 CA ILE A 3 26.087 31.082 7.249 1.00 0.00 C ATOM 39 C ILE A 3 26.986 32.281 7.551 1.00 0.00 C ATOM 40 O ILE A 3 28.033 32.437 6.952 1.00 0.00 O ATOM 41 CB ILE A 3 26.140 30.084 8.408 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.530 29.445 8.478 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.090 28.991 8.193 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.641 28.603 9.750 1.00 0.00 C ATOM 0 H ILE A 3 27.582 30.473 5.852 1.00 0.00 H new ATOM 0 HA ILE A 3 25.055 31.410 7.125 1.00 0.00 H new ATOM 0 HB ILE A 3 25.935 30.609 9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.700 28.821 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.298 30.218 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.129 28.281 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.099 29.442 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.293 28.470 7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.630 28.148 9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.490 29.239 10.622 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.882 27.821 9.736 1.00 0.00 H new ATOM 56 N PHE A 4 26.592 33.134 8.467 1.00 0.00 N ATOM 57 CA PHE A 4 27.427 34.335 8.799 1.00 0.00 C ATOM 58 C PHE A 4 27.729 34.357 10.298 1.00 0.00 C ATOM 59 O PHE A 4 26.863 34.143 11.119 1.00 0.00 O ATOM 60 CB PHE A 4 26.656 35.601 8.422 1.00 0.00 C ATOM 61 CG PHE A 4 26.378 35.598 6.936 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.377 34.769 6.416 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.119 36.422 6.079 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.117 34.763 5.040 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.858 36.417 4.704 1.00 0.00 C ATOM 66 CZ PHE A 4 25.857 35.587 4.184 1.00 0.00 C ATOM 0 H PHE A 4 25.727 33.051 9.001 1.00 0.00 H new ATOM 0 HA PHE A 4 28.364 34.290 8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.720 35.648 8.978 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.233 36.485 8.693 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.805 34.134 7.076 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.892 37.061 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.345 34.122 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.429 37.053 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.656 35.583 3.123 1.00 0.00 H new ATOM 76 N VAL A 5 28.958 34.619 10.663 1.00 0.00 N ATOM 77 CA VAL A 5 29.316 34.662 12.113 1.00 0.00 C ATOM 78 C VAL A 5 29.268 36.113 12.596 1.00 0.00 C ATOM 79 O VAL A 5 30.061 36.939 12.187 1.00 0.00 O ATOM 80 CB VAL A 5 30.725 34.106 12.313 1.00 0.00 C ATOM 81 CG1 VAL A 5 31.034 34.033 13.809 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.809 32.703 11.709 1.00 0.00 C ATOM 0 H VAL A 5 29.728 34.805 10.021 1.00 0.00 H new ATOM 0 HA VAL A 5 28.609 34.059 12.682 1.00 0.00 H new ATOM 0 HB VAL A 5 31.447 34.758 11.822 1.00 0.00 H new ATOM 0 HG11 VAL A 5 32.039 33.637 13.954 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.972 35.031 14.243 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.312 33.379 14.298 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.814 32.305 11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.088 32.051 12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.585 32.752 10.643 1.00 0.00 H new ATOM 92 N LYS A 6 28.344 36.418 13.469 1.00 0.00 N ATOM 93 CA LYS A 6 28.231 37.810 13.998 1.00 0.00 C ATOM 94 C LYS A 6 29.083 37.940 15.263 1.00 0.00 C ATOM 95 O LYS A 6 28.805 37.325 16.275 1.00 0.00 O ATOM 96 CB LYS A 6 26.767 38.104 14.333 1.00 0.00 C ATOM 97 CG LYS A 6 26.643 39.521 14.894 1.00 0.00 C ATOM 98 CD LYS A 6 25.165 39.878 15.056 1.00 0.00 C ATOM 99 CE LYS A 6 25.040 41.306 15.590 1.00 0.00 C ATOM 100 NZ LYS A 6 25.739 41.410 16.901 1.00 0.00 N ATOM 0 H LYS A 6 27.659 35.760 13.840 1.00 0.00 H new ATOM 0 HA LYS A 6 28.582 38.520 13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.151 38.001 13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.398 37.381 15.060 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.152 39.589 15.856 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.129 40.232 14.226 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.652 39.790 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.684 39.179 15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.472 42.010 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.989 41.572 15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.373 42.230 17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.573 40.544 17.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.760 41.528 16.742 1.00 0.00 H new ATOM 114 N THR A 7 30.129 38.730 15.213 1.00 0.00 N ATOM 115 CA THR A 7 31.009 38.897 16.413 1.00 0.00 C ATOM 116 C THR A 7 30.605 40.161 17.180 1.00 0.00 C ATOM 117 O THR A 7 29.966 41.046 16.648 1.00 0.00 O ATOM 118 CB THR A 7 32.466 39.019 15.959 1.00 0.00 C ATOM 119 OG1 THR A 7 32.788 37.926 15.110 1.00 0.00 O ATOM 120 CG2 THR A 7 33.388 39.006 17.179 1.00 0.00 C ATOM 0 H THR A 7 30.411 39.266 14.393 1.00 0.00 H new ATOM 0 HA THR A 7 30.899 38.031 17.066 1.00 0.00 H new ATOM 0 HB THR A 7 32.599 39.955 15.417 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.720 38.003 14.817 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.424 39.093 16.853 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.141 39.844 17.831 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.257 38.072 17.724 1.00 0.00 H new ATOM 128 N LEU A 8 30.970 40.247 18.429 1.00 0.00 N ATOM 129 CA LEU A 8 30.605 41.446 19.240 1.00 0.00 C ATOM 130 C LEU A 8 31.282 42.697 18.666 1.00 0.00 C ATOM 131 O LEU A 8 30.854 43.808 18.906 1.00 0.00 O ATOM 132 CB LEU A 8 31.066 41.239 20.688 1.00 0.00 C ATOM 133 CG LEU A 8 30.373 42.257 21.620 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.995 41.736 22.051 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.232 42.480 22.871 1.00 0.00 C ATOM 0 H LEU A 8 31.507 39.537 18.926 1.00 0.00 H new ATOM 0 HA LEU A 8 29.524 41.580 19.211 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.833 40.224 21.010 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.148 41.354 20.753 1.00 0.00 H new ATOM 0 HG LEU A 8 30.251 43.195 21.078 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.519 42.465 22.707 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.373 41.581 21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.113 40.792 22.582 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.740 43.199 23.527 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.358 41.535 23.399 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.209 42.865 22.578 1.00 0.00 H new ATOM 147 N THR A 9 32.340 42.530 17.919 1.00 0.00 N ATOM 148 CA THR A 9 33.040 43.718 17.346 1.00 0.00 C ATOM 149 C THR A 9 32.308 44.189 16.089 1.00 0.00 C ATOM 150 O THR A 9 32.708 45.138 15.444 1.00 0.00 O ATOM 151 CB THR A 9 34.480 43.343 16.991 1.00 0.00 C ATOM 152 OG1 THR A 9 34.480 42.173 16.185 1.00 0.00 O ATOM 153 CG2 THR A 9 35.271 43.083 18.275 1.00 0.00 C ATOM 0 H THR A 9 32.749 41.627 17.681 1.00 0.00 H new ATOM 0 HA THR A 9 33.047 44.522 18.082 1.00 0.00 H new ATOM 0 HB THR A 9 34.944 44.161 16.440 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.365 41.753 16.218 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.297 42.816 18.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.271 43.983 18.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.809 42.265 18.828 1.00 0.00 H new ATOM 161 N GLY A 10 31.230 43.541 15.739 1.00 0.00 N ATOM 162 CA GLY A 10 30.466 43.959 14.530 1.00 0.00 C ATOM 163 C GLY A 10 31.114 43.376 13.275 1.00 0.00 C ATOM 164 O GLY A 10 30.798 43.768 12.169 1.00 0.00 O ATOM 0 H GLY A 10 30.845 42.739 16.239 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.433 43.620 14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.440 45.047 14.464 1.00 0.00 H new ATOM 168 N LYS A 11 32.014 42.438 13.425 1.00 0.00 N ATOM 169 CA LYS A 11 32.668 41.835 12.227 1.00 0.00 C ATOM 170 C LYS A 11 31.821 40.662 11.731 1.00 0.00 C ATOM 171 O LYS A 11 31.508 39.755 12.479 1.00 0.00 O ATOM 172 CB LYS A 11 34.058 41.323 12.610 1.00 0.00 C ATOM 173 CG LYS A 11 34.972 42.507 12.928 1.00 0.00 C ATOM 174 CD LYS A 11 36.353 41.988 13.336 1.00 0.00 C ATOM 175 CE LYS A 11 37.284 43.172 13.606 1.00 0.00 C ATOM 176 NZ LYS A 11 36.719 44.005 14.704 1.00 0.00 N ATOM 0 H LYS A 11 32.323 42.065 14.323 1.00 0.00 H new ATOM 0 HA LYS A 11 32.758 42.586 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.988 40.663 13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.478 40.736 11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.058 43.158 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.544 43.105 13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.271 41.366 14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.765 41.360 12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 38.276 42.814 13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.400 43.771 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.405 44.741 14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.838 44.453 14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.520 43.404 15.529 1.00 0.00 H new ATOM 190 N THR A 12 31.445 40.677 10.476 1.00 0.00 N ATOM 191 CA THR A 12 30.612 39.566 9.916 1.00 0.00 C ATOM 192 C THR A 12 31.479 38.678 9.022 1.00 0.00 C ATOM 193 O THR A 12 32.069 39.133 8.062 1.00 0.00 O ATOM 194 CB THR A 12 29.469 40.151 9.087 1.00 0.00 C ATOM 195 OG1 THR A 12 28.763 41.108 9.866 1.00 0.00 O ATOM 196 CG2 THR A 12 28.518 39.029 8.669 1.00 0.00 C ATOM 0 H THR A 12 31.680 41.414 9.812 1.00 0.00 H new ATOM 0 HA THR A 12 30.204 38.974 10.735 1.00 0.00 H new ATOM 0 HB THR A 12 29.873 40.634 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.031 41.486 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.702 39.445 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.061 38.295 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.112 38.546 9.558 1.00 0.00 H new ATOM 204 N ILE A 13 31.550 37.409 9.337 1.00 0.00 N ATOM 205 CA ILE A 13 32.372 36.456 8.518 1.00 0.00 C ATOM 206 C ILE A 13 31.461 35.393 7.917 1.00 0.00 C ATOM 207 O ILE A 13 30.569 34.896 8.567 1.00 0.00 O ATOM 208 CB ILE A 13 33.413 35.783 9.406 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.114 36.850 10.249 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.438 35.059 8.525 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.293 36.224 10.989 1.00 0.00 C ATOM 0 H ILE A 13 31.071 36.986 10.132 1.00 0.00 H new ATOM 0 HA ILE A 13 32.875 37.004 7.721 1.00 0.00 H new ATOM 0 HB ILE A 13 32.931 35.060 10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.462 37.662 9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.413 37.283 10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.184 34.576 9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.932 34.306 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.928 35.779 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.792 36.985 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.933 35.427 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.998 35.812 10.267 1.00 0.00 H new ATOM 223 N THR A 14 31.680 35.047 6.675 1.00 0.00 N ATOM 224 CA THR A 14 30.825 34.016 6.002 1.00 0.00 C ATOM 225 C THR A 14 31.597 32.703 5.868 1.00 0.00 C ATOM 226 O THR A 14 32.755 32.689 5.499 1.00 0.00 O ATOM 227 CB THR A 14 30.442 34.517 4.607 1.00 0.00 C ATOM 228 OG1 THR A 14 29.727 35.740 4.724 1.00 0.00 O ATOM 229 CG2 THR A 14 29.566 33.475 3.911 1.00 0.00 C ATOM 0 H THR A 14 32.420 35.436 6.091 1.00 0.00 H new ATOM 0 HA THR A 14 29.929 33.846 6.599 1.00 0.00 H new ATOM 0 HB THR A 14 31.345 34.679 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.794 35.552 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.294 33.833 2.918 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.116 32.539 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.662 33.310 4.497 1.00 0.00 H new ATOM 237 N LEU A 15 30.960 31.597 6.168 1.00 0.00 N ATOM 238 CA LEU A 15 31.640 30.269 6.067 1.00 0.00 C ATOM 239 C LEU A 15 30.718 29.273 5.358 1.00 0.00 C ATOM 240 O LEU A 15 29.509 29.404 5.368 1.00 0.00 O ATOM 241 CB LEU A 15 31.943 29.744 7.478 1.00 0.00 C ATOM 242 CG LEU A 15 33.164 30.470 8.075 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.121 30.371 9.601 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.467 29.825 7.577 1.00 0.00 C ATOM 0 H LEU A 15 29.990 31.558 6.481 1.00 0.00 H new ATOM 0 HA LEU A 15 32.566 30.381 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.075 29.891 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.133 28.671 7.440 1.00 0.00 H new ATOM 0 HG LEU A 15 33.134 31.514 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.985 30.885 10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.206 30.835 9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.141 29.323 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.320 30.349 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.494 28.778 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.513 29.890 6.490 1.00 0.00 H new ATOM 256 N GLU A 16 31.293 28.257 4.769 1.00 0.00 N ATOM 257 CA GLU A 16 30.491 27.202 4.080 1.00 0.00 C ATOM 258 C GLU A 16 30.591 25.936 4.923 1.00 0.00 C ATOM 259 O GLU A 16 31.672 25.506 5.275 1.00 0.00 O ATOM 260 CB GLU A 16 31.065 26.941 2.685 1.00 0.00 C ATOM 261 CG GLU A 16 30.117 26.026 1.908 1.00 0.00 C ATOM 262 CD GLU A 16 30.751 25.655 0.566 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.607 26.395 0.113 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.371 24.634 0.016 1.00 0.00 O ATOM 0 H GLU A 16 32.302 28.111 4.736 1.00 0.00 H new ATOM 0 HA GLU A 16 29.453 27.515 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.197 27.883 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.049 26.479 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.909 25.125 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.163 26.527 1.745 1.00 0.00 H new ATOM 271 N VAL A 17 29.484 25.348 5.281 1.00 0.00 N ATOM 272 CA VAL A 17 29.532 24.126 6.138 1.00 0.00 C ATOM 273 C VAL A 17 28.427 23.154 5.722 1.00 0.00 C ATOM 274 O VAL A 17 27.495 23.508 5.029 1.00 0.00 O ATOM 275 CB VAL A 17 29.344 24.564 7.599 1.00 0.00 C ATOM 276 CG1 VAL A 17 28.237 25.615 7.669 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.970 23.367 8.484 1.00 0.00 C ATOM 0 H VAL A 17 28.548 25.658 5.019 1.00 0.00 H new ATOM 0 HA VAL A 17 30.488 23.616 6.024 1.00 0.00 H new ATOM 0 HB VAL A 17 30.282 24.982 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 17 28.099 25.930 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 17 28.514 26.477 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 27.307 25.190 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.842 23.702 9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.039 22.927 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.763 22.621 8.441 1.00 0.00 H new ATOM 287 N GLU A 18 28.528 21.928 6.164 1.00 0.00 N ATOM 288 CA GLU A 18 27.494 20.904 5.832 1.00 0.00 C ATOM 289 C GLU A 18 26.615 20.698 7.071 1.00 0.00 C ATOM 290 O GLU A 18 27.078 20.838 8.184 1.00 0.00 O ATOM 291 CB GLU A 18 28.193 19.587 5.473 1.00 0.00 C ATOM 292 CG GLU A 18 29.101 19.803 4.260 1.00 0.00 C ATOM 293 CD GLU A 18 28.245 20.081 3.023 1.00 0.00 C ATOM 294 OE1 GLU A 18 27.433 19.234 2.686 1.00 0.00 O ATOM 295 OE2 GLU A 18 28.415 21.134 2.433 1.00 0.00 O ATOM 0 H GLU A 18 29.292 21.589 6.748 1.00 0.00 H new ATOM 0 HA GLU A 18 26.885 21.229 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.779 19.232 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.452 18.818 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.777 20.639 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.721 18.922 4.095 1.00 0.00 H new ATOM 302 N PRO A 19 25.362 20.362 6.901 1.00 0.00 N ATOM 303 CA PRO A 19 24.440 20.138 8.055 1.00 0.00 C ATOM 304 C PRO A 19 24.842 18.893 8.850 1.00 0.00 C ATOM 305 O PRO A 19 24.652 18.816 10.048 1.00 0.00 O ATOM 306 CB PRO A 19 23.074 19.942 7.385 1.00 0.00 C ATOM 307 CG PRO A 19 23.413 19.403 6.039 1.00 0.00 C ATOM 308 CD PRO A 19 24.675 20.147 5.618 1.00 0.00 C ATOM 0 HA PRO A 19 24.451 20.959 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.448 19.249 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.525 20.881 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.584 18.327 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.601 19.572 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.280 19.560 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.444 21.088 5.119 1.00 0.00 H new ATOM 316 N SER A 20 25.397 17.916 8.184 1.00 0.00 N ATOM 317 CA SER A 20 25.815 16.676 8.888 1.00 0.00 C ATOM 318 C SER A 20 27.188 16.891 9.523 1.00 0.00 C ATOM 319 O SER A 20 27.729 16.011 10.165 1.00 0.00 O ATOM 320 CB SER A 20 25.894 15.524 7.885 1.00 0.00 C ATOM 321 OG SER A 20 26.490 14.396 8.512 1.00 0.00 O ATOM 0 H SER A 20 25.578 17.926 7.180 1.00 0.00 H new ATOM 0 HA SER A 20 25.088 16.435 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.897 15.270 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.479 15.823 7.016 1.00 0.00 H new ATOM 0 HG SER A 20 26.842 14.657 9.389 1.00 0.00 H new ATOM 327 N ASP A 21 27.758 18.053 9.352 1.00 0.00 N ATOM 328 CA ASP A 21 29.100 18.310 9.953 1.00 0.00 C ATOM 329 C ASP A 21 28.977 18.290 11.481 1.00 0.00 C ATOM 330 O ASP A 21 27.970 18.682 12.038 1.00 0.00 O ATOM 331 CB ASP A 21 29.643 19.679 9.480 1.00 0.00 C ATOM 332 CG ASP A 21 31.174 19.621 9.368 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.670 18.662 8.799 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.822 20.534 9.852 1.00 0.00 O ATOM 0 H ASP A 21 27.357 18.830 8.827 1.00 0.00 H new ATOM 0 HA ASP A 21 29.796 17.535 9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.208 19.939 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.350 20.459 10.182 1.00 0.00 H new ATOM 339 N THR A 22 29.997 17.840 12.163 1.00 0.00 N ATOM 340 CA THR A 22 29.940 17.800 13.652 1.00 0.00 C ATOM 341 C THR A 22 30.422 19.141 14.206 1.00 0.00 C ATOM 342 O THR A 22 31.135 19.873 13.547 1.00 0.00 O ATOM 343 CB THR A 22 30.842 16.677 14.170 1.00 0.00 C ATOM 344 OG1 THR A 22 32.169 16.888 13.710 1.00 0.00 O ATOM 345 CG2 THR A 22 30.329 15.330 13.658 1.00 0.00 C ATOM 0 H THR A 22 30.866 17.499 11.753 1.00 0.00 H new ATOM 0 HA THR A 22 28.916 17.615 13.976 1.00 0.00 H new ATOM 0 HB THR A 22 30.831 16.675 15.260 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.794 16.794 14.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.972 14.531 14.028 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.311 15.170 14.013 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.338 15.328 12.568 1.00 0.00 H new ATOM 353 N ILE A 23 30.043 19.473 15.409 1.00 0.00 N ATOM 354 CA ILE A 23 30.492 20.771 15.986 1.00 0.00 C ATOM 355 C ILE A 23 32.026 20.809 15.964 1.00 0.00 C ATOM 356 O ILE A 23 32.628 21.810 15.635 1.00 0.00 O ATOM 357 CB ILE A 23 29.974 20.904 17.429 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.464 21.212 17.425 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.709 22.047 18.141 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.670 19.998 16.944 1.00 0.00 C ATOM 0 H ILE A 23 29.447 18.907 16.013 1.00 0.00 H new ATOM 0 HA ILE A 23 30.097 21.601 15.401 1.00 0.00 H new ATOM 0 HB ILE A 23 30.154 19.964 17.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.141 21.490 18.428 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.263 22.065 16.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.339 22.137 19.162 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.778 21.836 18.160 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.533 22.981 17.607 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.606 20.234 16.948 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.980 19.738 15.932 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.857 19.155 17.609 1.00 0.00 H new ATOM 372 N GLU A 24 32.660 19.720 16.307 1.00 0.00 N ATOM 373 CA GLU A 24 34.152 19.691 16.304 1.00 0.00 C ATOM 374 C GLU A 24 34.677 19.887 14.878 1.00 0.00 C ATOM 375 O GLU A 24 35.642 20.589 14.653 1.00 0.00 O ATOM 376 CB GLU A 24 34.634 18.339 16.836 1.00 0.00 C ATOM 377 CG GLU A 24 34.269 18.212 18.315 1.00 0.00 C ATOM 378 CD GLU A 24 34.834 16.903 18.871 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.605 15.874 18.258 1.00 0.00 O ATOM 380 OE2 GLU A 24 35.487 16.954 19.901 1.00 0.00 O ATOM 0 H GLU A 24 32.210 18.849 16.589 1.00 0.00 H new ATOM 0 HA GLU A 24 34.526 20.495 16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.177 17.529 16.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.713 18.250 16.708 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.669 19.059 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.186 18.233 18.436 1.00 0.00 H new ATOM 387 N ASN A 25 34.051 19.268 13.914 1.00 0.00 N ATOM 388 CA ASN A 25 34.517 19.412 12.501 1.00 0.00 C ATOM 389 C ASN A 25 34.361 20.864 12.043 1.00 0.00 C ATOM 390 O ASN A 25 35.182 21.391 11.311 1.00 0.00 O ATOM 391 CB ASN A 25 33.680 18.504 11.593 1.00 0.00 C ATOM 392 CG ASN A 25 34.264 18.514 10.179 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.016 19.400 9.825 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.944 17.558 9.350 1.00 0.00 N ATOM 0 H ASN A 25 33.236 18.668 14.042 1.00 0.00 H new ATOM 0 HA ASN A 25 35.568 19.127 12.442 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.671 17.488 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.646 18.847 11.573 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.325 17.554 8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.313 16.815 9.648 1.00 0.00 H new ATOM 401 N VAL A 26 33.315 21.516 12.468 1.00 0.00 N ATOM 402 CA VAL A 26 33.101 22.930 12.058 1.00 0.00 C ATOM 403 C VAL A 26 34.069 23.836 12.824 1.00 0.00 C ATOM 404 O VAL A 26 34.480 24.871 12.337 1.00 0.00 O ATOM 405 CB VAL A 26 31.656 23.331 12.360 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.437 24.790 11.969 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.705 22.451 11.549 1.00 0.00 C ATOM 0 H VAL A 26 32.599 21.129 13.082 1.00 0.00 H new ATOM 0 HA VAL A 26 33.286 23.036 10.989 1.00 0.00 H new ATOM 0 HB VAL A 26 31.462 23.203 13.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.407 25.074 12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.115 25.425 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.632 24.914 10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.675 22.735 11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.905 22.583 10.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.857 21.406 11.819 1.00 0.00 H new ATOM 417 N LYS A 27 34.452 23.445 14.011 1.00 0.00 N ATOM 418 CA LYS A 27 35.409 24.274 14.793 1.00 0.00 C ATOM 419 C LYS A 27 36.748 24.237 14.071 1.00 0.00 C ATOM 420 O LYS A 27 37.461 25.216 13.991 1.00 0.00 O ATOM 421 CB LYS A 27 35.567 23.696 16.205 1.00 0.00 C ATOM 422 CG LYS A 27 34.383 24.123 17.075 1.00 0.00 C ATOM 423 CD LYS A 27 34.542 23.528 18.476 1.00 0.00 C ATOM 424 CE LYS A 27 33.444 24.073 19.391 1.00 0.00 C ATOM 425 NZ LYS A 27 33.682 25.523 19.642 1.00 0.00 N ATOM 0 H LYS A 27 34.143 22.588 14.470 1.00 0.00 H new ATOM 0 HA LYS A 27 35.046 25.298 14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.622 22.608 16.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.500 24.044 16.648 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.333 25.210 17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.448 23.785 16.628 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.484 22.441 18.429 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.523 23.778 18.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.467 23.928 18.931 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.436 23.526 20.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.184 25.812 20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.702 25.693 19.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.327 26.078 18.837 1.00 0.00 H new ATOM 439 N ALA A 28 37.078 23.105 13.525 1.00 0.00 N ATOM 440 CA ALA A 28 38.349 22.976 12.781 1.00 0.00 C ATOM 441 C ALA A 28 38.317 23.947 11.602 1.00 0.00 C ATOM 442 O ALA A 28 39.198 24.766 11.428 1.00 0.00 O ATOM 443 CB ALA A 28 38.458 21.542 12.270 1.00 0.00 C ATOM 0 H ALA A 28 36.513 22.256 13.565 1.00 0.00 H new ATOM 0 HA ALA A 28 39.203 23.205 13.418 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.390 21.423 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.447 20.853 13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.616 21.325 11.613 1.00 0.00 H new ATOM 449 N LYS A 29 37.299 23.854 10.788 1.00 0.00 N ATOM 450 CA LYS A 29 37.196 24.764 9.614 1.00 0.00 C ATOM 451 C LYS A 29 37.425 26.210 10.069 1.00 0.00 C ATOM 452 O LYS A 29 38.179 26.952 9.466 1.00 0.00 O ATOM 453 CB LYS A 29 35.796 24.644 9.001 1.00 0.00 C ATOM 454 CG LYS A 29 35.504 23.181 8.607 1.00 0.00 C ATOM 455 CD LYS A 29 36.088 22.868 7.210 1.00 0.00 C ATOM 456 CE LYS A 29 35.033 23.115 6.122 1.00 0.00 C ATOM 457 NZ LYS A 29 34.547 24.522 6.199 1.00 0.00 N ATOM 0 H LYS A 29 36.535 23.186 10.887 1.00 0.00 H new ATOM 0 HA LYS A 29 37.947 24.490 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.049 24.991 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.720 25.286 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.935 22.506 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.428 23.007 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.962 23.492 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.423 21.831 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.460 22.922 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.199 22.425 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.884 24.703 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.063 24.673 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.355 25.173 6.125 1.00 0.00 H new ATOM 471 N ILE A 30 36.784 26.614 11.131 1.00 0.00 N ATOM 472 CA ILE A 30 36.957 28.009 11.629 1.00 0.00 C ATOM 473 C ILE A 30 38.414 28.237 12.043 1.00 0.00 C ATOM 474 O ILE A 30 38.961 29.305 11.856 1.00 0.00 O ATOM 475 CB ILE A 30 36.047 28.238 12.839 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.586 28.180 12.387 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.335 29.618 13.447 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.672 28.107 13.612 1.00 0.00 C ATOM 0 H ILE A 30 36.145 26.036 11.678 1.00 0.00 H new ATOM 0 HA ILE A 30 36.693 28.706 10.834 1.00 0.00 H new ATOM 0 HB ILE A 30 36.234 27.467 13.586 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.344 29.061 11.792 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.426 27.311 11.749 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.686 29.779 14.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.377 29.666 13.764 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.147 30.391 12.701 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.632 28.066 13.288 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.908 27.213 14.189 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.824 28.990 14.233 1.00 0.00 H new ATOM 490 N GLN A 31 39.042 27.243 12.607 1.00 0.00 N ATOM 491 CA GLN A 31 40.458 27.403 13.041 1.00 0.00 C ATOM 492 C GLN A 31 41.377 27.481 11.821 1.00 0.00 C ATOM 493 O GLN A 31 42.231 28.338 11.727 1.00 0.00 O ATOM 494 CB GLN A 31 40.856 26.195 13.898 1.00 0.00 C ATOM 495 CG GLN A 31 42.345 26.279 14.281 1.00 0.00 C ATOM 496 CD GLN A 31 43.208 25.639 13.188 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.975 24.512 12.796 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.200 26.316 12.678 1.00 0.00 N ATOM 0 H GLN A 31 38.635 26.325 12.786 1.00 0.00 H new ATOM 0 HA GLN A 31 40.556 28.322 13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.243 26.162 14.799 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.666 25.273 13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.634 27.321 14.420 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.513 25.772 15.231 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.395 27.261 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.781 25.900 11.950 1.00 0.00 H new ATOM 507 N ASP A 32 41.220 26.579 10.898 1.00 0.00 N ATOM 508 CA ASP A 32 42.094 26.573 9.689 1.00 0.00 C ATOM 509 C ASP A 32 41.968 27.883 8.903 1.00 0.00 C ATOM 510 O ASP A 32 42.890 28.283 8.219 1.00 0.00 O ATOM 511 CB ASP A 32 41.689 25.407 8.786 1.00 0.00 C ATOM 512 CG ASP A 32 42.676 25.293 7.622 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.694 25.966 7.668 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.397 24.538 6.706 1.00 0.00 O ATOM 0 H ASP A 32 40.519 25.838 10.926 1.00 0.00 H new ATOM 0 HA ASP A 32 43.129 26.466 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.676 24.479 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.679 25.562 8.406 1.00 0.00 H new ATOM 519 N LYS A 33 40.840 28.550 8.967 1.00 0.00 N ATOM 520 CA LYS A 33 40.676 29.822 8.190 1.00 0.00 C ATOM 521 C LYS A 33 40.940 31.049 9.072 1.00 0.00 C ATOM 522 O LYS A 33 41.561 32.001 8.643 1.00 0.00 O ATOM 523 CB LYS A 33 39.251 29.885 7.638 1.00 0.00 C ATOM 524 CG LYS A 33 39.020 28.686 6.716 1.00 0.00 C ATOM 525 CD LYS A 33 37.737 28.890 5.909 1.00 0.00 C ATOM 526 CE LYS A 33 37.595 27.756 4.890 1.00 0.00 C ATOM 527 NZ LYS A 33 36.307 27.903 4.156 1.00 0.00 N ATOM 0 H LYS A 33 40.030 28.271 9.520 1.00 0.00 H new ATOM 0 HA LYS A 33 41.400 29.830 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.530 29.876 8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.100 30.815 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.868 28.565 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.948 27.772 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.874 28.907 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.764 29.852 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.429 27.777 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.629 26.792 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.212 27.132 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.516 27.863 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.292 28.817 3.660 1.00 0.00 H new ATOM 541 N GLU A 34 40.467 31.053 10.292 1.00 0.00 N ATOM 542 CA GLU A 34 40.689 32.241 11.177 1.00 0.00 C ATOM 543 C GLU A 34 41.952 32.040 12.023 1.00 0.00 C ATOM 544 O GLU A 34 42.537 32.984 12.514 1.00 0.00 O ATOM 545 CB GLU A 34 39.470 32.420 12.083 1.00 0.00 C ATOM 546 CG GLU A 34 38.240 32.684 11.210 1.00 0.00 C ATOM 547 CD GLU A 34 36.997 32.817 12.089 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.108 32.577 13.279 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.954 33.155 11.555 1.00 0.00 O ATOM 0 H GLU A 34 39.939 30.289 10.714 1.00 0.00 H new ATOM 0 HA GLU A 34 40.823 33.133 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.317 31.528 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.630 33.250 12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.384 33.595 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.107 31.870 10.498 1.00 0.00 H new ATOM 556 N GLY A 35 42.388 30.822 12.174 1.00 0.00 N ATOM 557 CA GLY A 35 43.629 30.560 12.960 1.00 0.00 C ATOM 558 C GLY A 35 43.403 30.838 14.450 1.00 0.00 C ATOM 559 O GLY A 35 44.300 30.678 15.255 1.00 0.00 O ATOM 0 H GLY A 35 41.938 29.992 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.939 29.524 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.439 31.187 12.588 1.00 0.00 H new ATOM 563 N ILE A 36 42.226 31.248 14.836 1.00 0.00 N ATOM 564 CA ILE A 36 41.984 31.522 16.282 1.00 0.00 C ATOM 565 C ILE A 36 41.755 30.181 17.010 1.00 0.00 C ATOM 566 O ILE A 36 40.837 29.461 16.673 1.00 0.00 O ATOM 567 CB ILE A 36 40.740 32.396 16.427 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.927 33.679 15.611 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.545 32.749 17.901 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.621 34.477 15.600 1.00 0.00 C ATOM 0 H ILE A 36 41.428 31.404 14.220 1.00 0.00 H new ATOM 0 HA ILE A 36 42.842 32.037 16.714 1.00 0.00 H new ATOM 0 HB ILE A 36 39.864 31.859 16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.729 34.281 16.039 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.223 33.433 14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.658 33.373 18.011 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.420 31.834 18.481 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.418 33.292 18.264 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.757 35.389 15.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.831 33.875 15.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.344 34.736 16.622 1.00 0.00 H new ATOM 582 N PRO A 37 42.564 29.819 17.992 1.00 0.00 N ATOM 583 CA PRO A 37 42.376 28.520 18.713 1.00 0.00 C ATOM 584 C PRO A 37 40.908 28.300 19.154 1.00 0.00 C ATOM 585 O PRO A 37 40.328 29.162 19.784 1.00 0.00 O ATOM 586 CB PRO A 37 43.277 28.676 19.951 1.00 0.00 C ATOM 587 CG PRO A 37 44.366 29.603 19.521 1.00 0.00 C ATOM 588 CD PRO A 37 43.730 30.568 18.513 1.00 0.00 C ATOM 0 HA PRO A 37 42.621 27.664 18.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.721 29.084 20.795 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.680 27.715 20.270 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.776 30.144 20.374 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.190 29.052 19.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.426 31.500 18.989 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.426 30.829 17.716 1.00 0.00 H new ATOM 596 N PRO A 38 40.307 27.158 18.865 1.00 0.00 N ATOM 597 CA PRO A 38 38.902 26.865 19.292 1.00 0.00 C ATOM 598 C PRO A 38 38.660 27.136 20.781 1.00 0.00 C ATOM 599 O PRO A 38 37.600 27.580 21.177 1.00 0.00 O ATOM 600 CB PRO A 38 38.740 25.377 19.002 1.00 0.00 C ATOM 601 CG PRO A 38 39.627 25.153 17.839 1.00 0.00 C ATOM 602 CD PRO A 38 40.855 26.030 18.084 1.00 0.00 C ATOM 0 HA PRO A 38 38.190 27.502 18.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.036 24.767 19.856 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.705 25.123 18.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.906 24.103 17.755 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.130 25.426 16.908 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.629 25.496 18.635 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.304 26.366 17.149 1.00 0.00 H new ATOM 610 N ASP A 39 39.630 26.860 21.609 1.00 0.00 N ATOM 611 CA ASP A 39 39.457 27.085 23.067 1.00 0.00 C ATOM 612 C ASP A 39 39.417 28.581 23.360 1.00 0.00 C ATOM 613 O ASP A 39 39.276 28.983 24.497 1.00 0.00 O ATOM 614 CB ASP A 39 40.626 26.455 23.826 1.00 0.00 C ATOM 615 CG ASP A 39 40.703 24.962 23.505 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.343 24.620 22.526 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.121 24.187 24.247 1.00 0.00 O ATOM 0 H ASP A 39 40.539 26.487 21.334 1.00 0.00 H new ATOM 0 HA ASP A 39 38.521 26.628 23.388 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.559 26.945 23.548 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.497 26.600 24.898 1.00 0.00 H new ATOM 622 N GLN A 40 39.550 29.417 22.355 1.00 0.00 N ATOM 623 CA GLN A 40 39.526 30.892 22.601 1.00 0.00 C ATOM 624 C GLN A 40 38.156 31.462 22.267 1.00 0.00 C ATOM 625 O GLN A 40 37.894 32.636 22.459 1.00 0.00 O ATOM 626 CB GLN A 40 40.595 31.571 21.739 1.00 0.00 C ATOM 627 CG GLN A 40 40.783 33.025 22.188 1.00 0.00 C ATOM 628 CD GLN A 40 42.032 33.609 21.529 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.718 32.930 20.790 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.359 34.850 21.766 1.00 0.00 N ATOM 0 H GLN A 40 39.673 29.141 21.381 1.00 0.00 H new ATOM 0 HA GLN A 40 39.734 31.079 23.654 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.538 31.031 21.822 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.302 31.541 20.690 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.907 33.615 21.918 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.877 33.072 23.273 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.783 35.420 22.386 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.190 35.250 21.331 1.00 0.00 H new ATOM 639 N GLN A 41 37.273 30.648 21.764 1.00 0.00 N ATOM 640 CA GLN A 41 35.918 31.147 21.403 1.00 0.00 C ATOM 641 C GLN A 41 34.857 30.135 21.800 1.00 0.00 C ATOM 642 O GLN A 41 35.098 28.947 21.879 1.00 0.00 O ATOM 643 CB GLN A 41 35.857 31.354 19.897 1.00 0.00 C ATOM 644 CG GLN A 41 36.233 30.048 19.194 1.00 0.00 C ATOM 645 CD GLN A 41 36.291 30.279 17.685 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.961 31.178 17.221 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.609 29.496 16.895 1.00 0.00 N ATOM 0 H GLN A 41 37.431 29.656 21.587 1.00 0.00 H new ATOM 0 HA GLN A 41 35.732 32.083 21.929 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.855 31.665 19.601 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.539 32.151 19.599 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.198 29.693 19.555 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.501 29.274 19.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.046 28.741 17.287 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.638 29.639 15.886 1.00 0.00 H new ATOM 656 N ARG A 42 33.674 30.619 22.037 1.00 0.00 N ATOM 657 CA ARG A 42 32.539 29.741 22.418 1.00 0.00 C ATOM 658 C ARG A 42 31.375 30.075 21.485 1.00 0.00 C ATOM 659 O ARG A 42 30.818 31.158 21.510 1.00 0.00 O ATOM 660 CB ARG A 42 32.218 29.990 23.900 1.00 0.00 C ATOM 661 CG ARG A 42 33.454 29.555 24.729 1.00 0.00 C ATOM 662 CD ARG A 42 33.121 29.416 26.233 1.00 0.00 C ATOM 663 NE ARG A 42 33.184 30.734 26.950 1.00 0.00 N ATOM 664 CZ ARG A 42 33.545 30.783 28.213 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.435 31.917 28.852 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.032 29.722 28.820 1.00 0.00 N ATOM 0 H ARG A 42 33.441 31.611 21.981 1.00 0.00 H new ATOM 0 HA ARG A 42 32.764 28.680 22.312 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.994 31.043 24.071 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.337 29.423 24.201 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.828 28.604 24.351 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.253 30.285 24.600 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.124 28.990 26.345 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.819 28.719 26.695 1.00 0.00 H new ATOM 0 HE ARG A 42 32.946 31.594 26.455 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.075 32.741 28.370 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.709 31.979 29.833 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.134 28.845 28.310 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.307 29.777 29.801 1.00 0.00 H new ATOM 680 N LEU A 43 31.073 29.155 20.608 1.00 0.00 N ATOM 681 CA LEU A 43 30.014 29.382 19.584 1.00 0.00 C ATOM 682 C LEU A 43 28.625 29.028 20.120 1.00 0.00 C ATOM 683 O LEU A 43 28.386 27.934 20.592 1.00 0.00 O ATOM 684 CB LEU A 43 30.312 28.500 18.369 1.00 0.00 C ATOM 685 CG LEU A 43 31.764 28.695 17.920 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.052 27.777 16.726 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.989 30.158 17.510 1.00 0.00 C ATOM 0 H LEU A 43 31.523 28.241 20.558 1.00 0.00 H new ATOM 0 HA LEU A 43 30.017 30.439 19.316 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.138 27.453 18.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.634 28.750 17.553 1.00 0.00 H new ATOM 0 HG LEU A 43 32.435 28.447 18.743 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.084 27.913 16.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.897 26.739 17.020 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.380 28.026 15.905 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.023 30.292 17.192 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.320 30.412 16.688 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.784 30.810 18.359 1.00 0.00 H new ATOM 699 N ILE A 44 27.705 29.960 20.035 1.00 0.00 N ATOM 700 CA ILE A 44 26.310 29.717 20.520 1.00 0.00 C ATOM 701 C ILE A 44 25.323 29.893 19.358 1.00 0.00 C ATOM 702 O ILE A 44 25.526 30.692 18.465 1.00 0.00 O ATOM 703 CB ILE A 44 25.990 30.723 21.627 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.087 30.644 22.696 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.630 30.392 22.256 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.707 31.512 23.895 1.00 0.00 C ATOM 0 H ILE A 44 27.864 30.889 19.646 1.00 0.00 H new ATOM 0 HA ILE A 44 26.223 28.702 20.908 1.00 0.00 H new ATOM 0 HB ILE A 44 25.948 31.729 21.210 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.224 29.610 23.013 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.037 30.979 22.280 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.408 31.112 23.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.854 30.440 21.492 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.660 29.388 22.680 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.490 31.452 24.651 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.592 32.547 23.573 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.767 31.157 24.318 1.00 0.00 H new ATOM 718 N PHE A 45 24.243 29.153 19.378 1.00 0.00 N ATOM 719 CA PHE A 45 23.220 29.268 18.295 1.00 0.00 C ATOM 720 C PHE A 45 21.842 28.942 18.873 1.00 0.00 C ATOM 721 O PHE A 45 21.699 28.071 19.708 1.00 0.00 O ATOM 722 CB PHE A 45 23.543 28.292 17.159 1.00 0.00 C ATOM 723 CG PHE A 45 22.408 28.296 16.158 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.325 29.306 15.192 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.432 27.292 16.205 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.269 29.310 14.272 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.378 27.297 15.285 1.00 0.00 C ATOM 728 CZ PHE A 45 20.296 28.306 14.318 1.00 0.00 C ATOM 0 H PHE A 45 24.025 28.470 20.103 1.00 0.00 H new ATOM 0 HA PHE A 45 23.226 30.284 17.899 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.474 28.579 16.671 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.688 27.288 17.557 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.075 30.082 15.156 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.493 26.514 16.952 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.206 30.089 13.526 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.627 26.522 15.321 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.482 28.309 13.608 1.00 0.00 H new ATOM 738 N ALA A 46 20.835 29.644 18.431 1.00 0.00 N ATOM 739 CA ALA A 46 19.458 29.397 18.947 1.00 0.00 C ATOM 740 C ALA A 46 19.444 29.626 20.458 1.00 0.00 C ATOM 741 O ALA A 46 18.451 29.405 21.123 1.00 0.00 O ATOM 742 CB ALA A 46 19.029 27.961 18.636 1.00 0.00 C ATOM 0 H ALA A 46 20.907 30.382 17.731 1.00 0.00 H new ATOM 0 HA ALA A 46 18.761 30.082 18.464 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.022 27.791 19.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.040 27.803 17.558 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.719 27.264 19.112 1.00 0.00 H new ATOM 748 N GLY A 47 20.542 30.080 21.004 1.00 0.00 N ATOM 749 CA GLY A 47 20.604 30.345 22.472 1.00 0.00 C ATOM 750 C GLY A 47 21.212 29.148 23.209 1.00 0.00 C ATOM 751 O GLY A 47 21.197 29.102 24.424 1.00 0.00 O ATOM 0 H GLY A 47 21.402 30.279 20.494 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.201 31.237 22.661 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.603 30.544 22.854 1.00 0.00 H new ATOM 755 N LYS A 48 21.763 28.186 22.499 1.00 0.00 N ATOM 756 CA LYS A 48 22.391 26.999 23.177 1.00 0.00 C ATOM 757 C LYS A 48 23.880 26.977 22.869 1.00 0.00 C ATOM 758 O LYS A 48 24.318 27.378 21.809 1.00 0.00 O ATOM 759 CB LYS A 48 21.777 25.680 22.659 1.00 0.00 C ATOM 760 CG LYS A 48 20.472 25.366 23.403 1.00 0.00 C ATOM 761 CD LYS A 48 19.319 26.175 22.804 1.00 0.00 C ATOM 762 CE LYS A 48 18.019 25.835 23.535 1.00 0.00 C ATOM 763 NZ LYS A 48 17.563 24.476 23.130 1.00 0.00 N ATOM 0 H LYS A 48 21.805 28.171 21.480 1.00 0.00 H new ATOM 0 HA LYS A 48 22.213 27.085 24.249 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.583 25.758 21.589 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.486 24.864 22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.253 24.300 23.335 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.581 25.602 24.461 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.527 27.242 22.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.219 25.953 21.741 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.175 25.872 24.613 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.252 26.573 23.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.583 24.330 23.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.610 24.388 22.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.178 23.759 23.566 1.00 0.00 H new ATOM 777 N GLN A 49 24.655 26.482 23.785 1.00 0.00 N ATOM 778 CA GLN A 49 26.116 26.394 23.549 1.00 0.00 C ATOM 779 C GLN A 49 26.392 25.138 22.732 1.00 0.00 C ATOM 780 O GLN A 49 26.138 24.032 23.168 1.00 0.00 O ATOM 781 CB GLN A 49 26.854 26.303 24.872 1.00 0.00 C ATOM 782 CG GLN A 49 26.403 27.441 25.784 1.00 0.00 C ATOM 783 CD GLN A 49 27.088 27.309 27.146 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.762 26.428 27.919 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.027 28.151 27.476 1.00 0.00 N ATOM 0 H GLN A 49 24.339 26.133 24.690 1.00 0.00 H new ATOM 0 HA GLN A 49 26.458 27.282 23.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.656 25.342 25.346 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.930 26.360 24.706 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.650 28.402 25.333 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.320 27.415 25.906 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.300 28.890 26.828 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.488 28.071 28.382 1.00 0.00 H new ATOM 794 N LEU A 50 26.894 25.297 21.550 1.00 0.00 N ATOM 795 CA LEU A 50 27.172 24.113 20.691 1.00 0.00 C ATOM 796 C LEU A 50 28.152 23.179 21.409 1.00 0.00 C ATOM 797 O LEU A 50 29.252 23.562 21.751 1.00 0.00 O ATOM 798 CB LEU A 50 27.774 24.584 19.364 1.00 0.00 C ATOM 799 CG LEU A 50 26.814 25.560 18.668 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.446 26.043 17.356 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.473 24.862 18.369 1.00 0.00 C ATOM 0 H LEU A 50 27.127 26.199 21.134 1.00 0.00 H new ATOM 0 HA LEU A 50 26.246 23.573 20.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.733 25.070 19.543 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.966 23.727 18.718 1.00 0.00 H new ATOM 0 HG LEU A 50 26.630 26.411 19.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.767 26.736 16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.388 26.548 17.570 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.632 25.188 16.706 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.800 25.563 17.876 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.646 24.005 17.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.023 24.523 19.302 1.00 0.00 H new ATOM 813 N GLU A 51 27.754 21.952 21.642 1.00 0.00 N ATOM 814 CA GLU A 51 28.652 20.983 22.342 1.00 0.00 C ATOM 815 C GLU A 51 29.489 20.221 21.313 1.00 0.00 C ATOM 816 O GLU A 51 29.306 20.356 20.122 1.00 0.00 O ATOM 817 CB GLU A 51 27.812 19.981 23.131 1.00 0.00 C ATOM 818 CG GLU A 51 26.967 20.712 24.175 1.00 0.00 C ATOM 819 CD GLU A 51 26.046 19.711 24.876 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.507 18.622 25.176 1.00 0.00 O ATOM 821 OE2 GLU A 51 24.895 20.048 25.100 1.00 0.00 O ATOM 0 H GLU A 51 26.842 21.579 21.376 1.00 0.00 H new ATOM 0 HA GLU A 51 29.307 21.532 23.019 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.165 19.424 22.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.462 19.256 23.621 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.613 21.201 24.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.376 21.494 23.698 1.00 0.00 H new ATOM 828 N ASP A 52 30.418 19.428 21.771 1.00 0.00 N ATOM 829 CA ASP A 52 31.289 18.655 20.831 1.00 0.00 C ATOM 830 C ASP A 52 30.715 17.252 20.580 1.00 0.00 C ATOM 831 O ASP A 52 30.243 16.595 21.488 1.00 0.00 O ATOM 832 CB ASP A 52 32.680 18.514 21.458 1.00 0.00 C ATOM 833 CG ASP A 52 33.208 19.895 21.849 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.956 20.307 22.970 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.858 20.512 21.024 1.00 0.00 O ATOM 0 H ASP A 52 30.615 19.279 22.761 1.00 0.00 H new ATOM 0 HA ASP A 52 31.341 19.186 19.881 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.631 17.870 22.336 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.362 18.039 20.752 1.00 0.00 H new ATOM 840 N GLY A 53 30.786 16.774 19.356 1.00 0.00 N ATOM 841 CA GLY A 53 30.289 15.394 19.044 1.00 0.00 C ATOM 842 C GLY A 53 28.883 15.425 18.430 1.00 0.00 C ATOM 843 O GLY A 53 28.458 14.472 17.807 1.00 0.00 O ATOM 0 H GLY A 53 31.168 17.283 18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.977 14.906 18.354 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.275 14.797 19.956 1.00 0.00 H new ATOM 847 N ARG A 54 28.154 16.493 18.605 1.00 0.00 N ATOM 848 CA ARG A 54 26.774 16.553 18.036 1.00 0.00 C ATOM 849 C ARG A 54 26.821 16.956 16.565 1.00 0.00 C ATOM 850 O ARG A 54 27.864 17.240 16.015 1.00 0.00 O ATOM 851 CB ARG A 54 25.933 17.576 18.811 1.00 0.00 C ATOM 852 CG ARG A 54 25.422 16.963 20.116 1.00 0.00 C ATOM 853 CD ARG A 54 24.659 18.053 20.924 1.00 0.00 C ATOM 854 NE ARG A 54 23.566 17.535 21.830 1.00 0.00 N ATOM 855 CZ ARG A 54 22.957 16.375 21.660 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.235 15.929 22.648 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.904 15.750 20.512 1.00 0.00 N ATOM 0 H ARG A 54 28.451 17.325 19.115 1.00 0.00 H new ATOM 0 HA ARG A 54 26.323 15.565 18.123 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.532 18.461 19.027 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.091 17.902 18.200 1.00 0.00 H new ATOM 0 HG2 ARG A 54 24.763 16.121 19.904 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.256 16.575 20.701 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.379 18.605 21.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.221 18.763 20.222 1.00 0.00 H new ATOM 0 HE ARG A 54 23.282 18.115 22.619 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.158 16.471 23.509 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.747 15.038 22.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.348 16.157 19.689 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.419 14.856 20.440 1.00 0.00 H new ATOM 871 N THR A 55 25.676 16.971 15.928 1.00 0.00 N ATOM 872 CA THR A 55 25.603 17.345 14.486 1.00 0.00 C ATOM 873 C THR A 55 24.844 18.666 14.346 1.00 0.00 C ATOM 874 O THR A 55 23.926 18.944 15.092 1.00 0.00 O ATOM 875 CB THR A 55 24.840 16.249 13.746 1.00 0.00 C ATOM 876 OG1 THR A 55 25.408 14.984 14.063 1.00 0.00 O ATOM 877 CG2 THR A 55 24.928 16.485 12.243 1.00 0.00 C ATOM 0 H THR A 55 24.779 16.737 16.353 1.00 0.00 H new ATOM 0 HA THR A 55 26.605 17.456 14.073 1.00 0.00 H new ATOM 0 HB THR A 55 23.794 16.267 14.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.919 14.278 13.591 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.382 15.700 11.719 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.492 17.454 12.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.973 16.469 11.933 1.00 0.00 H new ATOM 885 N LEU A 56 25.228 19.483 13.402 1.00 0.00 N ATOM 886 CA LEU A 56 24.543 20.794 13.210 1.00 0.00 C ATOM 887 C LEU A 56 23.043 20.561 12.988 1.00 0.00 C ATOM 888 O LEU A 56 22.209 21.312 13.454 1.00 0.00 O ATOM 889 CB LEU A 56 25.167 21.502 11.986 1.00 0.00 C ATOM 890 CG LEU A 56 26.271 22.475 12.431 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.419 21.697 13.081 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.800 23.231 11.210 1.00 0.00 C ATOM 0 H LEU A 56 25.992 19.297 12.752 1.00 0.00 H new ATOM 0 HA LEU A 56 24.668 21.420 14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.581 20.761 11.302 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.395 22.044 11.439 1.00 0.00 H new ATOM 0 HG LEU A 56 25.860 23.180 13.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.198 22.392 13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.045 21.155 13.950 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.832 20.989 12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.583 23.922 11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.208 22.521 10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.986 23.789 10.747 1.00 0.00 H new ATOM 904 N SER A 57 22.696 19.523 12.282 1.00 0.00 N ATOM 905 CA SER A 57 21.254 19.242 12.035 1.00 0.00 C ATOM 906 C SER A 57 20.545 19.042 13.375 1.00 0.00 C ATOM 907 O SER A 57 19.354 19.248 13.496 1.00 0.00 O ATOM 908 CB SER A 57 21.117 17.972 11.191 1.00 0.00 C ATOM 909 OG SER A 57 19.763 17.541 11.213 1.00 0.00 O ATOM 0 H SER A 57 23.347 18.857 11.865 1.00 0.00 H new ATOM 0 HA SER A 57 20.804 20.080 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.433 18.166 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.767 17.189 11.582 1.00 0.00 H new ATOM 0 HG SER A 57 19.669 16.729 10.673 1.00 0.00 H new ATOM 915 N ASP A 58 21.271 18.621 14.374 1.00 0.00 N ATOM 916 CA ASP A 58 20.646 18.384 15.703 1.00 0.00 C ATOM 917 C ASP A 58 20.050 19.689 16.227 1.00 0.00 C ATOM 918 O ASP A 58 19.231 19.691 17.125 1.00 0.00 O ATOM 919 CB ASP A 58 21.700 17.871 16.687 1.00 0.00 C ATOM 920 CG ASP A 58 21.009 17.367 17.956 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.750 18.181 18.829 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.750 16.178 18.034 1.00 0.00 O ATOM 0 H ASP A 58 22.272 18.431 14.326 1.00 0.00 H new ATOM 0 HA ASP A 58 19.857 17.639 15.601 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.278 17.067 16.231 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.401 18.668 16.934 1.00 0.00 H new ATOM 927 N TYR A 59 20.464 20.803 15.679 1.00 0.00 N ATOM 928 CA TYR A 59 19.940 22.125 16.143 1.00 0.00 C ATOM 929 C TYR A 59 18.929 22.680 15.132 1.00 0.00 C ATOM 930 O TYR A 59 18.430 23.775 15.293 1.00 0.00 O ATOM 931 CB TYR A 59 21.118 23.105 16.270 1.00 0.00 C ATOM 932 CG TYR A 59 21.763 22.962 17.629 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.053 22.432 17.747 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.071 23.384 18.769 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.648 22.326 19.013 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.663 23.270 20.031 1.00 0.00 C ATOM 937 CZ TYR A 59 22.952 22.742 20.153 1.00 0.00 C ATOM 938 OH TYR A 59 23.539 22.637 21.396 1.00 0.00 O ATOM 0 H TYR A 59 21.148 20.854 14.924 1.00 0.00 H new ATOM 0 HA TYR A 59 19.444 22.000 17.105 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.851 22.909 15.488 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.768 24.128 16.130 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.588 22.106 16.867 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.078 23.798 18.675 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.645 21.922 19.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.125 23.590 20.911 1.00 0.00 H new ATOM 0 HH TYR A 59 24.501 22.485 21.291 1.00 0.00 H new ATOM 948 N ASN A 60 18.620 21.953 14.093 1.00 0.00 N ATOM 949 CA ASN A 60 17.644 22.479 13.097 1.00 0.00 C ATOM 950 C ASN A 60 18.098 23.860 12.613 1.00 0.00 C ATOM 951 O ASN A 60 17.324 24.794 12.551 1.00 0.00 O ATOM 952 CB ASN A 60 16.263 22.590 13.745 1.00 0.00 C ATOM 953 CG ASN A 60 15.216 22.883 12.669 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.360 22.469 11.535 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.161 23.587 12.977 1.00 0.00 N ATOM 0 H ASN A 60 18.997 21.027 13.892 1.00 0.00 H new ATOM 0 HA ASN A 60 17.591 21.799 12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.017 21.663 14.263 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.263 23.383 14.493 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.458 23.790 12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.040 23.935 13.928 1.00 0.00 H new ATOM 962 N ILE A 61 19.350 23.992 12.266 1.00 0.00 N ATOM 963 CA ILE A 61 19.865 25.306 11.782 1.00 0.00 C ATOM 964 C ILE A 61 19.248 25.613 10.409 1.00 0.00 C ATOM 965 O ILE A 61 18.624 24.767 9.802 1.00 0.00 O ATOM 966 CB ILE A 61 21.397 25.229 11.687 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.985 25.223 13.102 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.946 26.435 10.918 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.440 24.756 13.053 1.00 0.00 C ATOM 0 H ILE A 61 20.042 23.243 12.297 1.00 0.00 H new ATOM 0 HA ILE A 61 19.592 26.105 12.472 1.00 0.00 H new ATOM 0 HB ILE A 61 21.676 24.317 11.158 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.928 26.222 13.534 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.403 24.564 13.745 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.032 26.365 10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.528 26.445 9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.669 27.353 11.435 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.855 24.753 14.061 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.485 23.749 12.639 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.018 25.433 12.424 1.00 0.00 H new ATOM 981 N GLN A 62 19.414 26.822 9.920 1.00 0.00 N ATOM 982 CA GLN A 62 18.833 27.193 8.588 1.00 0.00 C ATOM 983 C GLN A 62 19.867 27.969 7.763 1.00 0.00 C ATOM 984 O GLN A 62 20.605 28.794 8.271 1.00 0.00 O ATOM 985 CB GLN A 62 17.589 28.061 8.800 1.00 0.00 C ATOM 986 CG GLN A 62 16.847 28.233 7.471 1.00 0.00 C ATOM 987 CD GLN A 62 16.245 26.893 7.038 1.00 0.00 C ATOM 988 OE1 GLN A 62 16.652 26.324 6.045 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.286 26.361 7.746 1.00 0.00 N ATOM 0 H GLN A 62 19.928 27.569 10.388 1.00 0.00 H new ATOM 0 HA GLN A 62 18.559 26.285 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.932 27.599 9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.876 29.035 9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.059 28.979 7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.532 28.599 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.943 26.838 8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.879 25.469 7.465 1.00 0.00 H new ATOM 998 N LYS A 63 19.935 27.695 6.489 1.00 0.00 N ATOM 999 CA LYS A 63 20.926 28.392 5.621 1.00 0.00 C ATOM 1000 C LYS A 63 20.788 29.911 5.746 1.00 0.00 C ATOM 1001 O LYS A 63 19.713 30.443 5.945 1.00 0.00 O ATOM 1002 CB LYS A 63 20.712 27.974 4.163 1.00 0.00 C ATOM 1003 CG LYS A 63 19.291 28.326 3.714 1.00 0.00 C ATOM 1004 CD LYS A 63 19.107 27.904 2.253 1.00 0.00 C ATOM 1005 CE LYS A 63 17.689 28.244 1.789 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.526 27.841 0.362 1.00 0.00 N ATOM 0 H LYS A 63 19.344 27.015 6.010 1.00 0.00 H new ATOM 0 HA LYS A 63 21.928 28.110 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.438 28.476 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.880 26.902 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.561 27.820 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.118 29.397 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.837 28.413 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.287 26.834 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.957 27.728 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.504 29.312 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.563 28.071 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.216 28.353 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.686 26.817 0.270 1.00 0.00 H new ATOM 1020 N GLU A 64 21.883 30.607 5.614 1.00 0.00 N ATOM 1021 CA GLU A 64 21.869 32.095 5.703 1.00 0.00 C ATOM 1022 C GLU A 64 21.541 32.551 7.129 1.00 0.00 C ATOM 1023 O GLU A 64 21.290 33.716 7.365 1.00 0.00 O ATOM 1024 CB GLU A 64 20.836 32.671 4.716 1.00 0.00 C ATOM 1025 CG GLU A 64 21.236 34.102 4.328 1.00 0.00 C ATOM 1026 CD GLU A 64 20.119 34.747 3.506 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.285 34.017 3.000 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.119 35.962 3.397 1.00 0.00 O ATOM 0 H GLU A 64 22.803 30.200 5.445 1.00 0.00 H new ATOM 0 HA GLU A 64 22.861 32.465 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.780 32.044 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.845 32.670 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.427 34.692 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.162 34.087 3.753 1.00 0.00 H new ATOM 1066 N LEU A 67 25.234 33.050 13.246 1.00 0.00 N ATOM 1067 CA LEU A 67 25.622 32.416 14.541 1.00 0.00 C ATOM 1068 C LEU A 67 26.230 33.483 15.455 1.00 0.00 C ATOM 1069 O LEU A 67 26.785 34.462 14.995 1.00 0.00 O ATOM 1070 CB LEU A 67 26.672 31.327 14.280 1.00 0.00 C ATOM 1071 CG LEU A 67 26.003 30.072 13.712 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.351 30.393 12.362 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.062 28.982 13.521 1.00 0.00 C ATOM 0 HA LEU A 67 24.743 31.975 15.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.423 31.696 13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.192 31.083 15.207 1.00 0.00 H new ATOM 0 HG LEU A 67 25.236 29.726 14.404 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.877 29.496 11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.599 31.171 12.497 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.112 30.741 11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.592 28.085 13.117 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.827 29.335 12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.522 28.749 14.481 1.00 0.00 H new ATOM 1085 N HIS A 68 26.138 33.297 16.746 1.00 0.00 N ATOM 1086 CA HIS A 68 26.721 34.295 17.696 1.00 0.00 C ATOM 1087 C HIS A 68 28.087 33.802 18.156 1.00 0.00 C ATOM 1088 O HIS A 68 28.228 32.674 18.587 1.00 0.00 O ATOM 1089 CB HIS A 68 25.827 34.427 18.923 1.00 0.00 C ATOM 1090 CG HIS A 68 24.399 34.615 18.489 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.490 33.567 18.444 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.709 35.729 18.074 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.314 34.068 18.017 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.397 35.377 17.779 1.00 0.00 N ATOM 0 H HIS A 68 25.684 32.496 17.186 1.00 0.00 H new ATOM 0 HA HIS A 68 26.806 35.258 17.193 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.914 33.537 19.546 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.148 35.274 19.530 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.122 36.723 17.990 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.416 33.482 17.884 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.653 35.992 17.449 1.00 0.00 H new ATOM 1103 N LEU A 69 29.092 34.633 18.069 1.00 0.00 N ATOM 1104 CA LEU A 69 30.458 34.212 18.503 1.00 0.00 C ATOM 1105 C LEU A 69 30.874 35.007 19.743 1.00 0.00 C ATOM 1106 O LEU A 69 30.991 36.216 19.705 1.00 0.00 O ATOM 1107 CB LEU A 69 31.451 34.474 17.357 1.00 0.00 C ATOM 1108 CG LEU A 69 32.888 34.037 17.763 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.591 33.371 16.574 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.718 35.257 18.197 1.00 0.00 C ATOM 0 H LEU A 69 29.026 35.587 17.715 1.00 0.00 H new ATOM 0 HA LEU A 69 30.455 33.150 18.749 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.138 33.929 16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.447 35.533 17.101 1.00 0.00 H new ATOM 0 HG LEU A 69 32.806 33.334 18.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.596 33.069 16.868 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.025 32.493 16.262 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.652 34.077 15.746 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.720 34.934 18.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.783 35.965 17.371 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.239 35.738 19.050 1.00 0.00 H new ATOM 1122 N VAL A 70 31.109 34.327 20.840 1.00 0.00 N ATOM 1123 CA VAL A 70 31.536 35.018 22.101 1.00 0.00 C ATOM 1124 C VAL A 70 32.951 34.553 22.455 1.00 0.00 C ATOM 1125 O VAL A 70 33.312 33.418 22.220 1.00 0.00 O ATOM 1126 CB VAL A 70 30.572 34.645 23.227 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.915 35.446 24.484 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.140 34.967 22.795 1.00 0.00 C ATOM 0 H VAL A 70 31.023 33.314 20.917 1.00 0.00 H new ATOM 0 HA VAL A 70 31.526 36.099 21.965 1.00 0.00 H new ATOM 0 HB VAL A 70 30.660 33.580 23.442 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.226 35.178 25.285 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.936 35.220 24.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.828 36.512 24.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.450 34.702 23.596 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.055 36.032 22.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.893 34.396 21.900 1.00 0.00 H new ATOM 1138 N LEU A 71 33.766 35.418 23.007 1.00 0.00 N ATOM 1139 CA LEU A 71 35.165 35.016 23.358 1.00 0.00 C ATOM 1140 C LEU A 71 35.207 34.441 24.784 1.00 0.00 C ATOM 1141 O LEU A 71 34.399 34.784 25.626 1.00 0.00 O ATOM 1142 CB LEU A 71 36.078 36.252 23.262 1.00 0.00 C ATOM 1143 CG LEU A 71 36.515 36.463 21.806 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.279 36.601 20.922 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.363 37.735 21.695 1.00 0.00 C ATOM 0 H LEU A 71 33.524 36.384 23.230 1.00 0.00 H new ATOM 0 HA LEU A 71 35.510 34.249 22.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.551 37.134 23.625 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.953 36.120 23.898 1.00 0.00 H new ATOM 0 HG LEU A 71 37.107 35.607 21.481 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.587 36.751 19.887 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.677 35.695 20.994 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.689 37.456 21.253 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.670 37.879 20.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.776 38.593 22.022 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.247 37.639 22.325 1.00 0.00 H new