USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=15 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.972 K(o=0.97,f=-10!) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.15) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.55 (180deg=0.774) USER MOD Single : A 22 MET CE :methyl -171:sc= 0 (180deg=-0.0886) USER MOD Single : A 26 GLN : amide:sc= 1.13 K(o=1.1,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.08 (180deg=1.03) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 80:sc= 0.397 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.048) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.297 K(o=0.3,f=-6.8!) USER MOD Single : A 53 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.467 K(o=0.47,f=-0.45) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0715 K(o=0.071,f=-2.3!) USER MOD Single : A 73 THR OG1 : rot 70:sc= 1.56 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.986 -5.447 -15.204 1.00 0.00 N ATOM 92 CA ILE A 7 11.983 -5.674 -13.749 1.00 0.00 C ATOM 93 C ILE A 7 13.374 -5.361 -13.175 1.00 0.00 C ATOM 94 O ILE A 7 14.388 -5.748 -13.763 1.00 0.00 O ATOM 95 CB ILE A 7 11.528 -7.116 -13.403 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.178 -7.470 -14.075 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.450 -7.304 -11.876 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.621 -8.860 -13.743 1.00 0.00 C ATOM 0 HA ILE A 7 11.260 -5.001 -13.288 1.00 0.00 H new ATOM 0 HB ILE A 7 12.275 -7.804 -13.800 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.440 -6.723 -13.784 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.299 -7.395 -15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.129 -8.321 -11.651 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.432 -7.127 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.733 -6.597 -11.458 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.675 -9.007 -14.264 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.332 -9.622 -14.061 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.460 -8.940 -12.668 1.00 0.00 H new ATOM 110 N VAL A 8 13.432 -4.681 -12.024 1.00 0.00 N ATOM 111 CA VAL A 8 14.674 -4.260 -11.349 1.00 0.00 C ATOM 112 C VAL A 8 14.678 -4.628 -9.860 1.00 0.00 C ATOM 113 O VAL A 8 13.706 -4.383 -9.145 1.00 0.00 O ATOM 114 CB VAL A 8 14.943 -2.751 -11.542 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.359 -2.448 -12.985 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.769 -1.835 -11.172 1.00 0.00 C ATOM 0 H VAL A 8 12.593 -4.398 -11.518 1.00 0.00 H new ATOM 0 HA VAL A 8 15.486 -4.811 -11.823 1.00 0.00 H new ATOM 0 HB VAL A 8 15.751 -2.531 -10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.542 -1.379 -13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.269 -2.999 -13.225 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.562 -2.751 -13.665 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.051 -0.796 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.906 -2.081 -11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.514 -1.976 -10.122 1.00 0.00 H new ATOM 126 N LYS A 9 15.788 -5.204 -9.376 1.00 0.00 N ATOM 127 CA LYS A 9 16.030 -5.465 -7.943 1.00 0.00 C ATOM 128 C LYS A 9 16.291 -4.171 -7.174 1.00 0.00 C ATOM 129 O LYS A 9 17.007 -3.297 -7.661 1.00 0.00 O ATOM 130 CB LYS A 9 17.209 -6.436 -7.759 1.00 0.00 C ATOM 131 CG LYS A 9 16.796 -7.883 -8.058 1.00 0.00 C ATOM 132 CD LYS A 9 18.013 -8.819 -8.055 1.00 0.00 C ATOM 133 CE LYS A 9 17.634 -10.303 -8.186 1.00 0.00 C ATOM 134 NZ LYS A 9 17.001 -10.626 -9.492 1.00 0.00 N ATOM 0 H LYS A 9 16.556 -5.507 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 9 15.128 -5.923 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.027 -6.146 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.583 -6.367 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.074 -8.219 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.300 -7.930 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.676 -8.546 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.573 -8.674 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.528 -10.913 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.950 -10.570 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.906 -11.657 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.060 -10.186 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.593 -10.261 -10.265 1.00 0.00 H new ATOM 148 N VAL A 10 15.775 -4.086 -5.953 1.00 0.00 N ATOM 149 CA VAL A 10 15.933 -2.941 -5.034 1.00 0.00 C ATOM 150 C VAL A 10 16.115 -3.396 -3.583 1.00 0.00 C ATOM 151 O VAL A 10 15.627 -4.460 -3.195 1.00 0.00 O ATOM 152 CB VAL A 10 14.758 -1.943 -5.141 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.645 -1.338 -6.545 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.399 -2.548 -4.761 1.00 0.00 C ATOM 0 H VAL A 10 15.212 -4.836 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 10 16.841 -2.424 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 10 14.998 -1.164 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.806 -0.643 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.566 -0.807 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.483 -2.134 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.623 -1.789 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.175 -3.385 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.433 -2.900 -3.730 1.00 0.00 H new ATOM 164 N ALA A 11 16.793 -2.578 -2.775 1.00 0.00 N ATOM 165 CA ALA A 11 16.952 -2.767 -1.329 1.00 0.00 C ATOM 166 C ALA A 11 16.266 -1.619 -0.571 1.00 0.00 C ATOM 167 O ALA A 11 16.659 -0.464 -0.723 1.00 0.00 O ATOM 168 CB ALA A 11 18.448 -2.854 -0.999 1.00 0.00 C ATOM 0 H ALA A 11 17.261 -1.740 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 11 16.475 -3.695 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.576 -2.995 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.889 -3.697 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.942 -1.932 -1.306 1.00 0.00 H new ATOM 174 N ILE A 12 15.235 -1.920 0.222 1.00 0.00 N ATOM 175 CA ILE A 12 14.360 -0.921 0.854 1.00 0.00 C ATOM 176 C ILE A 12 14.639 -0.834 2.356 1.00 0.00 C ATOM 177 O ILE A 12 14.494 -1.809 3.090 1.00 0.00 O ATOM 178 CB ILE A 12 12.875 -1.222 0.566 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.621 -1.314 -0.957 1.00 0.00 C ATOM 180 CG2 ILE A 12 11.966 -0.141 1.196 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.275 -1.945 -1.281 1.00 0.00 C ATOM 0 H ILE A 12 14.978 -2.881 0.449 1.00 0.00 H new ATOM 0 HA ILE A 12 14.581 0.054 0.419 1.00 0.00 H new ATOM 0 HB ILE A 12 12.632 -2.184 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.666 -0.315 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.415 -1.899 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.923 -0.372 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.118 -0.121 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.215 0.834 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.144 -1.987 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.238 -2.954 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.477 -1.346 -0.842 1.00 0.00 H new ATOM 193 N GLU A 13 15.019 0.350 2.815 1.00 0.00 N ATOM 194 CA GLU A 13 15.260 0.673 4.226 1.00 0.00 C ATOM 195 C GLU A 13 13.963 0.976 5.002 1.00 0.00 C ATOM 196 O GLU A 13 13.017 1.553 4.458 1.00 0.00 O ATOM 197 CB GLU A 13 16.203 1.881 4.328 1.00 0.00 C ATOM 198 CG GLU A 13 17.615 1.619 3.782 1.00 0.00 C ATOM 199 CD GLU A 13 18.538 2.841 3.963 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.773 2.652 4.066 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.042 3.993 4.016 1.00 0.00 O ATOM 0 H GLU A 13 15.175 1.146 2.197 1.00 0.00 H new ATOM 0 HA GLU A 13 15.713 -0.209 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.764 2.718 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.279 2.183 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.048 0.759 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.554 1.364 2.724 1.00 0.00 H new ATOM 208 N TRP A 14 13.955 0.659 6.300 1.00 0.00 N ATOM 209 CA TRP A 14 12.924 1.046 7.273 1.00 0.00 C ATOM 210 C TRP A 14 13.538 1.123 8.691 1.00 0.00 C ATOM 211 O TRP A 14 14.417 0.307 8.996 1.00 0.00 O ATOM 212 CB TRP A 14 11.755 0.052 7.207 1.00 0.00 C ATOM 213 CG TRP A 14 10.656 0.278 8.198 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.428 -0.469 9.301 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.661 1.348 8.233 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.364 0.054 10.009 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.871 1.194 9.412 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.395 2.473 7.424 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.862 2.104 9.764 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.389 3.396 7.770 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.620 3.212 8.933 1.00 0.00 C ATOM 0 H TRP A 14 14.698 0.102 6.722 1.00 0.00 H new ATOM 0 HA TRP A 14 12.536 2.035 7.030 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.328 0.087 6.205 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.149 -0.954 7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.993 -1.344 9.586 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.990 -0.353 10.866 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.972 2.629 6.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.279 1.955 10.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.207 4.252 7.137 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.845 3.920 9.187 1.00 0.00 H new ATOM 232 N PRO A 15 13.147 2.074 9.570 1.00 0.00 N ATOM 233 CA PRO A 15 13.812 2.275 10.861 1.00 0.00 C ATOM 234 C PRO A 15 13.722 1.056 11.790 1.00 0.00 C ATOM 235 O PRO A 15 12.666 0.432 11.929 1.00 0.00 O ATOM 236 CB PRO A 15 13.173 3.524 11.482 1.00 0.00 C ATOM 237 CG PRO A 15 12.658 4.287 10.265 1.00 0.00 C ATOM 238 CD PRO A 15 12.189 3.151 9.364 1.00 0.00 C ATOM 0 HA PRO A 15 14.883 2.410 10.712 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.366 3.266 12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.898 4.109 12.048 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.846 4.967 10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.439 4.885 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.179 2.834 9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.166 3.462 8.320 1.00 0.00 H new ATOM 246 N GLY A 16 14.840 0.716 12.441 1.00 0.00 N ATOM 247 CA GLY A 16 14.945 -0.432 13.353 1.00 0.00 C ATOM 248 C GLY A 16 14.912 -1.815 12.674 1.00 0.00 C ATOM 249 O GLY A 16 14.757 -2.821 13.369 1.00 0.00 O ATOM 0 H GLY A 16 15.712 1.238 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.874 -0.344 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.129 -0.379 14.073 1.00 0.00 H new ATOM 253 N ALA A 17 15.050 -1.881 11.344 1.00 0.00 N ATOM 254 CA ALA A 17 14.984 -3.111 10.550 1.00 0.00 C ATOM 255 C ALA A 17 16.086 -3.190 9.473 1.00 0.00 C ATOM 256 O ALA A 17 16.595 -2.175 8.989 1.00 0.00 O ATOM 257 CB ALA A 17 13.581 -3.220 9.933 1.00 0.00 C ATOM 0 H ALA A 17 15.216 -1.052 10.774 1.00 0.00 H new ATOM 0 HA ALA A 17 15.166 -3.959 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.515 -4.131 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.835 -3.251 10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.396 -2.356 9.295 1.00 0.00 H new ATOM 263 N TYR A 18 16.442 -4.418 9.085 1.00 0.00 N ATOM 264 CA TYR A 18 17.356 -4.705 7.971 1.00 0.00 C ATOM 265 C TYR A 18 16.724 -4.342 6.607 1.00 0.00 C ATOM 266 O TYR A 18 15.493 -4.365 6.482 1.00 0.00 O ATOM 267 CB TYR A 18 17.740 -6.192 8.013 1.00 0.00 C ATOM 268 CG TYR A 18 18.329 -6.655 9.335 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.568 -7.456 10.210 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.638 -6.274 9.691 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.113 -7.872 11.441 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.186 -6.687 10.922 1.00 0.00 C ATOM 273 CZ TYR A 18 19.424 -7.488 11.801 1.00 0.00 C ATOM 274 OH TYR A 18 19.943 -7.894 12.994 1.00 0.00 O ATOM 0 H TYR A 18 16.096 -5.260 9.545 1.00 0.00 H new ATOM 0 HA TYR A 18 18.249 -4.090 8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.854 -6.789 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.461 -6.390 7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.566 -7.751 9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.223 -5.664 9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.528 -8.485 12.110 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.189 -6.391 11.193 1.00 0.00 H new ATOM 0 HH TYR A 18 20.854 -7.546 13.090 1.00 0.00 H new ATOM 284 N PRO A 19 17.526 -4.027 5.568 1.00 0.00 N ATOM 285 CA PRO A 19 17.004 -3.652 4.255 1.00 0.00 C ATOM 286 C PRO A 19 16.279 -4.825 3.576 1.00 0.00 C ATOM 287 O PRO A 19 16.842 -5.908 3.395 1.00 0.00 O ATOM 288 CB PRO A 19 18.207 -3.160 3.442 1.00 0.00 C ATOM 289 CG PRO A 19 19.401 -3.844 4.107 1.00 0.00 C ATOM 290 CD PRO A 19 18.981 -3.976 5.571 1.00 0.00 C ATOM 0 HA PRO A 19 16.252 -2.868 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.121 -3.438 2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.297 -2.074 3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 19 19.604 -4.817 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.310 -3.251 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.402 -4.877 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.341 -3.131 6.158 1.00 0.00 H new ATOM 298 N LYS A 20 15.025 -4.598 3.174 1.00 0.00 N ATOM 299 CA LYS A 20 14.187 -5.553 2.440 1.00 0.00 C ATOM 300 C LYS A 20 14.590 -5.593 0.966 1.00 0.00 C ATOM 301 O LYS A 20 14.359 -4.634 0.230 1.00 0.00 O ATOM 302 CB LYS A 20 12.709 -5.175 2.649 1.00 0.00 C ATOM 303 CG LYS A 20 11.736 -5.950 1.747 1.00 0.00 C ATOM 304 CD LYS A 20 10.297 -5.818 2.261 1.00 0.00 C ATOM 305 CE LYS A 20 9.310 -6.381 1.233 1.00 0.00 C ATOM 306 NZ LYS A 20 7.993 -6.668 1.857 1.00 0.00 N ATOM 0 H LYS A 20 14.549 -3.715 3.356 1.00 0.00 H new ATOM 0 HA LYS A 20 14.332 -6.564 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.443 -5.352 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.587 -4.107 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.799 -5.572 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.021 -7.002 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.191 -6.351 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.069 -4.771 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.182 -5.668 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.716 -7.294 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.254 -6.668 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.023 -7.600 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.778 -5.938 2.566 1.00 0.00 H new ATOM 320 N LEU A 21 15.182 -6.705 0.531 1.00 0.00 N ATOM 321 CA LEU A 21 15.427 -6.984 -0.886 1.00 0.00 C ATOM 322 C LEU A 21 14.117 -7.406 -1.569 1.00 0.00 C ATOM 323 O LEU A 21 13.448 -8.335 -1.107 1.00 0.00 O ATOM 324 CB LEU A 21 16.508 -8.074 -1.029 1.00 0.00 C ATOM 325 CG LEU A 21 17.923 -7.613 -0.630 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.847 -8.822 -0.484 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.529 -6.680 -1.682 1.00 0.00 C ATOM 0 H LEU A 21 15.508 -7.443 1.155 1.00 0.00 H new ATOM 0 HA LEU A 21 15.791 -6.081 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.229 -8.930 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.528 -8.418 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 21 17.832 -7.079 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.845 -8.486 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.457 -9.487 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.899 -9.357 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.527 -6.375 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.594 -7.202 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.898 -5.798 -1.793 1.00 0.00 H new ATOM 339 N MET A 22 13.758 -6.746 -2.671 1.00 0.00 N ATOM 340 CA MET A 22 12.607 -7.105 -3.513 1.00 0.00 C ATOM 341 C MET A 22 12.817 -6.686 -4.978 1.00 0.00 C ATOM 342 O MET A 22 13.865 -6.146 -5.336 1.00 0.00 O ATOM 343 CB MET A 22 11.304 -6.540 -2.909 1.00 0.00 C ATOM 344 CG MET A 22 11.019 -5.063 -3.197 1.00 0.00 C ATOM 345 SD MET A 22 9.391 -4.534 -2.596 1.00 0.00 S ATOM 346 CE MET A 22 8.274 -5.315 -3.792 1.00 0.00 C ATOM 0 H MET A 22 14.266 -5.931 -3.013 1.00 0.00 H new ATOM 0 HA MET A 22 12.515 -8.191 -3.527 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.467 -7.131 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.337 -6.680 -1.829 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.791 -4.451 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.080 -4.888 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.260 -4.945 -3.639 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.599 -5.074 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.291 -6.396 -3.653 1.00 0.00 H new ATOM 356 N GLU A 23 11.822 -6.922 -5.833 1.00 0.00 N ATOM 357 CA GLU A 23 11.830 -6.524 -7.245 1.00 0.00 C ATOM 358 C GLU A 23 10.666 -5.584 -7.587 1.00 0.00 C ATOM 359 O GLU A 23 9.510 -5.852 -7.255 1.00 0.00 O ATOM 360 CB GLU A 23 11.810 -7.766 -8.146 1.00 0.00 C ATOM 361 CG GLU A 23 13.191 -8.431 -8.200 1.00 0.00 C ATOM 362 CD GLU A 23 13.245 -9.671 -9.111 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.331 -9.932 -9.684 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.239 -10.413 -9.235 1.00 0.00 O ATOM 0 H GLU A 23 10.967 -7.406 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 23 12.751 -5.969 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.074 -8.478 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.499 -7.484 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.922 -7.702 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.486 -8.719 -7.191 1.00 0.00 H new ATOM 371 N ILE A 24 10.984 -4.494 -8.288 1.00 0.00 N ATOM 372 CA ILE A 24 10.027 -3.559 -8.884 1.00 0.00 C ATOM 373 C ILE A 24 9.827 -3.928 -10.357 1.00 0.00 C ATOM 374 O ILE A 24 10.736 -3.785 -11.176 1.00 0.00 O ATOM 375 CB ILE A 24 10.501 -2.097 -8.681 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.355 -1.745 -7.181 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.731 -1.104 -9.576 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.764 -0.317 -6.799 1.00 0.00 C ATOM 0 H ILE A 24 11.953 -4.228 -8.463 1.00 0.00 H new ATOM 0 HA ILE A 24 9.059 -3.634 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 24 11.546 -2.013 -8.981 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.316 -1.898 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.956 -2.445 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.098 -0.093 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.882 -1.366 -10.623 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.668 -1.150 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.624 -0.173 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.812 -0.159 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.147 0.397 -7.345 1.00 0.00 H new ATOM 390 N ASP A 25 8.630 -4.408 -10.694 1.00 0.00 N ATOM 391 CA ASP A 25 8.178 -4.575 -12.077 1.00 0.00 C ATOM 392 C ASP A 25 7.675 -3.217 -12.580 1.00 0.00 C ATOM 393 O ASP A 25 6.691 -2.686 -12.062 1.00 0.00 O ATOM 394 CB ASP A 25 7.092 -5.663 -12.130 1.00 0.00 C ATOM 395 CG ASP A 25 6.422 -5.860 -13.503 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.719 -5.111 -14.460 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.571 -6.774 -13.610 1.00 0.00 O ATOM 0 H ASP A 25 7.936 -4.696 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 25 8.989 -4.902 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.535 -6.610 -11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.321 -5.419 -11.400 1.00 0.00 H new ATOM 402 N GLN A 26 8.340 -2.639 -13.582 1.00 0.00 N ATOM 403 CA GLN A 26 8.024 -1.300 -14.086 1.00 0.00 C ATOM 404 C GLN A 26 6.651 -1.205 -14.787 1.00 0.00 C ATOM 405 O GLN A 26 6.172 -0.093 -15.031 1.00 0.00 O ATOM 406 CB GLN A 26 9.174 -0.774 -14.964 1.00 0.00 C ATOM 407 CG GLN A 26 10.527 -0.635 -14.230 1.00 0.00 C ATOM 408 CD GLN A 26 10.613 0.540 -13.247 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.650 0.966 -12.619 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.781 1.119 -13.071 1.00 0.00 N ATOM 0 H GLN A 26 9.116 -3.088 -14.069 1.00 0.00 H new ATOM 0 HA GLN A 26 7.930 -0.648 -13.218 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.303 -1.445 -15.813 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.892 0.199 -15.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.725 -1.559 -13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.317 -0.526 -14.973 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.598 0.784 -13.581 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.869 1.903 -12.424 1.00 0.00 H new ATOM 419 N LYS A 27 5.987 -2.337 -15.071 1.00 0.00 N ATOM 420 CA LYS A 27 4.605 -2.395 -15.581 1.00 0.00 C ATOM 421 C LYS A 27 3.536 -2.470 -14.476 1.00 0.00 C ATOM 422 O LYS A 27 2.390 -2.098 -14.741 1.00 0.00 O ATOM 423 CB LYS A 27 4.455 -3.587 -16.547 1.00 0.00 C ATOM 424 CG LYS A 27 5.466 -3.620 -17.711 1.00 0.00 C ATOM 425 CD LYS A 27 5.493 -2.367 -18.602 1.00 0.00 C ATOM 426 CE LYS A 27 4.138 -2.106 -19.275 1.00 0.00 C ATOM 427 NZ LYS A 27 4.198 -0.937 -20.191 1.00 0.00 N ATOM 0 H LYS A 27 6.405 -3.260 -14.950 1.00 0.00 H new ATOM 0 HA LYS A 27 4.430 -1.456 -16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.552 -4.511 -15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.447 -3.573 -16.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.463 -3.772 -17.298 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.245 -4.485 -18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.771 -1.501 -18.001 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.261 -2.484 -19.367 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.832 -2.991 -19.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.379 -1.932 -18.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.266 -0.790 -20.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.466 -0.088 -19.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.904 -1.114 -20.934 1.00 0.00 H new ATOM 441 N LYS A 28 3.870 -2.926 -13.258 1.00 0.00 N ATOM 442 CA LYS A 28 2.930 -3.006 -12.115 1.00 0.00 C ATOM 443 C LYS A 28 2.895 -1.685 -11.325 1.00 0.00 C ATOM 444 O LYS A 28 3.930 -1.022 -11.223 1.00 0.00 O ATOM 445 CB LYS A 28 3.205 -4.261 -11.254 1.00 0.00 C ATOM 446 CG LYS A 28 4.089 -4.041 -10.020 1.00 0.00 C ATOM 447 CD LYS A 28 4.319 -5.327 -9.208 1.00 0.00 C ATOM 448 CE LYS A 28 3.048 -5.785 -8.481 1.00 0.00 C ATOM 449 NZ LYS A 28 3.301 -6.996 -7.663 1.00 0.00 N ATOM 0 H LYS A 28 4.809 -3.254 -13.031 1.00 0.00 H new ATOM 0 HA LYS A 28 1.918 -3.135 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.250 -4.670 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.675 -5.016 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.052 -3.641 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.627 -3.290 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.661 -6.119 -9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.112 -5.158 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.683 -4.981 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.265 -5.993 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.409 -7.321 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.691 -7.748 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.981 -6.770 -6.909 1.00 0.00 H new ATOM 463 N PRO A 29 1.743 -1.273 -10.765 1.00 0.00 N ATOM 464 CA PRO A 29 1.583 0.035 -10.126 1.00 0.00 C ATOM 465 C PRO A 29 2.349 0.146 -8.805 1.00 0.00 C ATOM 466 O PRO A 29 2.434 -0.811 -8.030 1.00 0.00 O ATOM 467 CB PRO A 29 0.075 0.206 -9.918 1.00 0.00 C ATOM 468 CG PRO A 29 -0.452 -1.225 -9.842 1.00 0.00 C ATOM 469 CD PRO A 29 0.497 -2.022 -10.727 1.00 0.00 C ATOM 0 HA PRO A 29 2.000 0.824 -10.752 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.142 0.760 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.382 0.756 -10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.447 -1.597 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.479 -1.290 -10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.656 -3.022 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.085 -2.143 -11.729 1.00 0.00 H new ATOM 477 N LEU A 30 2.848 1.348 -8.510 1.00 0.00 N ATOM 478 CA LEU A 30 3.542 1.646 -7.254 1.00 0.00 C ATOM 479 C LEU A 30 2.649 1.434 -6.024 1.00 0.00 C ATOM 480 O LEU A 30 3.149 0.997 -4.995 1.00 0.00 O ATOM 481 CB LEU A 30 4.089 3.081 -7.299 1.00 0.00 C ATOM 482 CG LEU A 30 5.275 3.241 -8.266 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.490 4.722 -8.544 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.575 2.660 -7.702 1.00 0.00 C ATOM 0 H LEU A 30 2.782 2.148 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 30 4.370 0.944 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.290 3.760 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.401 3.377 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 30 5.030 2.694 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.329 4.846 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.590 5.142 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.705 5.240 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.379 2.799 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.829 3.171 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.443 1.596 -7.507 1.00 0.00 H new ATOM 496 N SER A 31 1.335 1.649 -6.127 1.00 0.00 N ATOM 497 CA SER A 31 0.377 1.365 -5.044 1.00 0.00 C ATOM 498 C SER A 31 0.370 -0.117 -4.640 1.00 0.00 C ATOM 499 O SER A 31 0.377 -0.433 -3.447 1.00 0.00 O ATOM 500 CB SER A 31 -1.037 1.785 -5.463 1.00 0.00 C ATOM 501 OG SER A 31 -1.054 3.145 -5.873 1.00 0.00 O ATOM 0 H SER A 31 0.898 2.027 -6.968 1.00 0.00 H new ATOM 0 HA SER A 31 0.698 1.944 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.384 1.150 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.726 1.642 -4.631 1.00 0.00 H new ATOM 0 HG SER A 31 -1.964 3.395 -6.138 1.00 0.00 H new ATOM 507 N ALA A 32 0.416 -1.034 -5.617 1.00 0.00 N ATOM 508 CA ALA A 32 0.517 -2.474 -5.362 1.00 0.00 C ATOM 509 C ALA A 32 1.890 -2.860 -4.784 1.00 0.00 C ATOM 510 O ALA A 32 1.968 -3.657 -3.847 1.00 0.00 O ATOM 511 CB ALA A 32 0.223 -3.232 -6.663 1.00 0.00 C ATOM 0 H ALA A 32 0.384 -0.795 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.220 -2.751 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.296 -4.305 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.783 -2.989 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.947 -2.942 -7.425 1.00 0.00 H new ATOM 517 N ILE A 33 2.973 -2.255 -5.288 1.00 0.00 N ATOM 518 CA ILE A 33 4.327 -2.449 -4.753 1.00 0.00 C ATOM 519 C ILE A 33 4.407 -1.982 -3.294 1.00 0.00 C ATOM 520 O ILE A 33 4.857 -2.740 -2.445 1.00 0.00 O ATOM 521 CB ILE A 33 5.373 -1.745 -5.646 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.410 -2.420 -7.034 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.771 -1.780 -4.998 1.00 0.00 C ATOM 524 CD1 ILE A 33 6.030 -1.556 -8.136 1.00 0.00 C ATOM 0 H ILE A 33 2.935 -1.615 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 33 4.557 -3.514 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 33 5.083 -0.700 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.972 -3.351 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.393 -2.685 -7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.486 -1.277 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.738 -1.272 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.079 -2.815 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.017 -2.104 -9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.456 -0.636 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.059 -1.312 -7.872 1.00 0.00 H new ATOM 536 N ILE A 34 3.926 -0.781 -2.967 1.00 0.00 N ATOM 537 CA ILE A 34 3.964 -0.221 -1.607 1.00 0.00 C ATOM 538 C ILE A 34 3.167 -1.096 -0.624 1.00 0.00 C ATOM 539 O ILE A 34 3.639 -1.330 0.490 1.00 0.00 O ATOM 540 CB ILE A 34 3.500 1.256 -1.633 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.566 2.132 -2.337 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.243 1.811 -0.221 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.022 3.472 -2.848 1.00 0.00 C ATOM 0 H ILE A 34 3.492 -0.157 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 34 4.990 -0.227 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 34 2.559 1.288 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.384 2.323 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.984 1.576 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.920 2.850 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.466 1.221 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.161 1.756 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.825 4.031 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.224 3.290 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.630 4.049 -2.010 1.00 0.00 H new ATOM 555 N LYS A 35 2.028 -1.671 -1.040 1.00 0.00 N ATOM 556 CA LYS A 35 1.303 -2.688 -0.256 1.00 0.00 C ATOM 557 C LYS A 35 2.170 -3.924 0.023 1.00 0.00 C ATOM 558 O LYS A 35 2.247 -4.381 1.163 1.00 0.00 O ATOM 559 CB LYS A 35 -0.003 -3.065 -0.979 1.00 0.00 C ATOM 560 CG LYS A 35 -0.912 -3.945 -0.107 1.00 0.00 C ATOM 561 CD LYS A 35 -2.221 -4.278 -0.833 1.00 0.00 C ATOM 562 CE LYS A 35 -3.120 -5.125 0.075 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.391 -5.499 -0.602 1.00 0.00 N ATOM 0 H LYS A 35 1.582 -1.445 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 35 1.056 -2.261 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.538 -2.157 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.234 -3.593 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.391 -4.867 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.132 -3.431 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.735 -3.359 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.008 -4.819 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.588 -6.028 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.343 -4.570 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.973 -6.071 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.911 -4.637 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.179 -6.050 -1.458 1.00 0.00 H new ATOM 577 N GLU A 36 2.865 -4.436 -0.994 1.00 0.00 N ATOM 578 CA GLU A 36 3.770 -5.581 -0.895 1.00 0.00 C ATOM 579 C GLU A 36 5.042 -5.277 -0.082 1.00 0.00 C ATOM 580 O GLU A 36 5.601 -6.190 0.531 1.00 0.00 O ATOM 581 CB GLU A 36 4.105 -6.046 -2.319 1.00 0.00 C ATOM 582 CG GLU A 36 2.927 -6.786 -2.974 1.00 0.00 C ATOM 583 CD GLU A 36 3.092 -6.985 -4.493 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.199 -6.793 -5.053 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.099 -7.361 -5.163 1.00 0.00 O ATOM 0 H GLU A 36 2.812 -4.053 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 36 3.269 -6.378 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.375 -5.183 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.975 -6.702 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.811 -7.760 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.009 -6.229 -2.787 1.00 0.00 H new ATOM 592 N VAL A 37 5.484 -4.014 -0.008 1.00 0.00 N ATOM 593 CA VAL A 37 6.539 -3.570 0.919 1.00 0.00 C ATOM 594 C VAL A 37 6.022 -3.649 2.357 1.00 0.00 C ATOM 595 O VAL A 37 6.572 -4.408 3.160 1.00 0.00 O ATOM 596 CB VAL A 37 7.060 -2.147 0.624 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.146 -1.747 1.631 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.711 -2.037 -0.750 1.00 0.00 C ATOM 0 H VAL A 37 5.117 -3.264 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 37 7.386 -4.242 0.778 1.00 0.00 H new ATOM 0 HB VAL A 37 6.184 -1.501 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.499 -0.741 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.733 -1.768 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.979 -2.447 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.060 -1.016 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.557 -2.722 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.983 -2.294 -1.519 1.00 0.00 H new ATOM 608 N CYS A 38 4.957 -2.897 2.657 1.00 0.00 N ATOM 609 CA CYS A 38 4.427 -2.676 4.008 1.00 0.00 C ATOM 610 C CYS A 38 4.035 -3.976 4.730 1.00 0.00 C ATOM 611 O CYS A 38 4.282 -4.112 5.930 1.00 0.00 O ATOM 612 CB CYS A 38 3.219 -1.725 3.920 1.00 0.00 C ATOM 613 SG CYS A 38 3.723 -0.067 3.377 1.00 0.00 S ATOM 0 H CYS A 38 4.421 -2.408 1.940 1.00 0.00 H new ATOM 0 HA CYS A 38 5.224 -2.232 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.484 -2.130 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.733 -1.659 4.894 1.00 0.00 H new ATOM 0 HG CYS A 38 3.867 -0.059 2.085 1.00 0.00 H new ATOM 619 N ASP A 39 3.494 -4.958 4.003 1.00 0.00 N ATOM 620 CA ASP A 39 3.114 -6.272 4.542 1.00 0.00 C ATOM 621 C ASP A 39 4.295 -7.045 5.174 1.00 0.00 C ATOM 622 O ASP A 39 4.101 -7.815 6.116 1.00 0.00 O ATOM 623 CB ASP A 39 2.486 -7.089 3.402 1.00 0.00 C ATOM 624 CG ASP A 39 1.888 -8.426 3.875 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.146 -9.465 3.220 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.122 -8.440 4.868 1.00 0.00 O ATOM 0 H ASP A 39 3.304 -4.863 3.005 1.00 0.00 H new ATOM 0 HA ASP A 39 2.403 -6.112 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.705 -6.496 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.244 -7.285 2.643 1.00 0.00 H new ATOM 631 N GLY A 40 5.531 -6.805 4.713 1.00 0.00 N ATOM 632 CA GLY A 40 6.745 -7.441 5.251 1.00 0.00 C ATOM 633 C GLY A 40 7.129 -6.972 6.661 1.00 0.00 C ATOM 634 O GLY A 40 7.720 -7.737 7.425 1.00 0.00 O ATOM 0 H GLY A 40 5.719 -6.157 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.599 -8.521 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.576 -7.241 4.575 1.00 0.00 H new ATOM 638 N TRP A 41 6.750 -5.742 7.022 1.00 0.00 N ATOM 639 CA TRP A 41 6.906 -5.161 8.363 1.00 0.00 C ATOM 640 C TRP A 41 5.570 -5.064 9.131 1.00 0.00 C ATOM 641 O TRP A 41 5.485 -4.383 10.155 1.00 0.00 O ATOM 642 CB TRP A 41 7.654 -3.823 8.239 1.00 0.00 C ATOM 643 CG TRP A 41 9.057 -3.922 7.710 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.041 -4.688 8.238 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.659 -3.246 6.559 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.196 -4.545 7.494 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.022 -3.662 6.451 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.199 -2.317 5.599 1.00 0.00 C ATOM 649 CZ2 TRP A 41 11.881 -3.189 5.449 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.057 -1.830 4.593 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.388 -2.266 4.513 1.00 0.00 C ATOM 0 H TRP A 41 6.309 -5.098 6.365 1.00 0.00 H new ATOM 0 HA TRP A 41 7.509 -5.829 8.979 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.082 -3.164 7.586 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.685 -3.350 9.221 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.938 -5.317 9.110 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.070 -5.033 7.692 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.175 -1.975 5.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.905 -3.529 5.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.686 -1.113 3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.033 -1.892 3.732 1.00 0.00 H new ATOM 662 N SER A 42 4.521 -5.748 8.648 1.00 0.00 N ATOM 663 CA SER A 42 3.149 -5.739 9.195 1.00 0.00 C ATOM 664 C SER A 42 2.524 -4.334 9.312 1.00 0.00 C ATOM 665 O SER A 42 1.674 -4.086 10.171 1.00 0.00 O ATOM 666 CB SER A 42 3.064 -6.527 10.514 1.00 0.00 C ATOM 667 OG SER A 42 3.528 -7.861 10.352 1.00 0.00 O ATOM 0 H SER A 42 4.607 -6.350 7.829 1.00 0.00 H new ATOM 0 HA SER A 42 2.535 -6.254 8.457 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.656 -6.024 11.279 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.033 -6.539 10.867 1.00 0.00 H new ATOM 0 HG SER A 42 3.463 -8.336 11.207 1.00 0.00 H new ATOM 673 N LEU A 43 2.952 -3.395 8.461 1.00 0.00 N ATOM 674 CA LEU A 43 2.491 -2.003 8.455 1.00 0.00 C ATOM 675 C LEU A 43 1.088 -1.892 7.834 1.00 0.00 C ATOM 676 O LEU A 43 0.895 -2.143 6.641 1.00 0.00 O ATOM 677 CB LEU A 43 3.523 -1.129 7.716 1.00 0.00 C ATOM 678 CG LEU A 43 4.848 -0.944 8.479 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.892 -0.324 7.554 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.700 -0.043 9.707 1.00 0.00 C ATOM 0 H LEU A 43 3.646 -3.587 7.739 1.00 0.00 H new ATOM 0 HA LEU A 43 2.407 -1.642 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.734 -1.577 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.085 -0.149 7.527 1.00 0.00 H new ATOM 0 HG LEU A 43 5.157 -1.933 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.828 -0.194 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.056 -0.980 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.538 0.646 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.664 0.053 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.353 0.942 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.977 -0.481 10.395 1.00 0.00 H new ATOM 692 N ALA A 44 0.108 -1.506 8.654 1.00 0.00 N ATOM 693 CA ALA A 44 -1.258 -1.209 8.225 1.00 0.00 C ATOM 694 C ALA A 44 -1.346 0.125 7.454 1.00 0.00 C ATOM 695 O ALA A 44 -0.468 0.986 7.562 1.00 0.00 O ATOM 696 CB ALA A 44 -2.162 -1.206 9.466 1.00 0.00 C ATOM 0 H ALA A 44 0.247 -1.389 9.658 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.592 -1.977 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.187 -0.986 9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.125 -2.184 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.816 -0.445 10.166 1.00 0.00 H new ATOM 702 N ASN A 45 -2.443 0.306 6.710 1.00 0.00 N ATOM 703 CA ASN A 45 -2.769 1.525 5.956 1.00 0.00 C ATOM 704 C ASN A 45 -1.649 1.962 4.985 1.00 0.00 C ATOM 705 O ASN A 45 -1.175 3.101 5.019 1.00 0.00 O ATOM 706 CB ASN A 45 -3.235 2.639 6.913 1.00 0.00 C ATOM 707 CG ASN A 45 -4.371 2.216 7.829 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.407 1.730 7.394 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.214 2.364 9.126 1.00 0.00 N ATOM 0 H ASN A 45 -3.155 -0.418 6.612 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.607 1.295 5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.390 2.962 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.553 3.501 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.954 2.074 9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.352 2.768 9.493 1.00 0.00 H new ATOM 716 N HIS A 46 -1.242 1.056 4.085 1.00 0.00 N ATOM 717 CA HIS A 46 -0.216 1.305 3.057 1.00 0.00 C ATOM 718 C HIS A 46 -0.557 2.486 2.126 1.00 0.00 C ATOM 719 O HIS A 46 0.332 3.043 1.488 1.00 0.00 O ATOM 720 CB HIS A 46 -0.012 0.026 2.233 1.00 0.00 C ATOM 721 CG HIS A 46 -1.193 -0.304 1.355 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.357 -0.958 1.764 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.341 0.094 0.059 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.169 -0.962 0.693 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.586 -0.334 -0.343 1.00 0.00 N ATOM 0 H HIS A 46 -1.623 0.110 4.049 1.00 0.00 H new ATOM 0 HA HIS A 46 0.702 1.582 3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.876 0.139 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.176 -0.809 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.622 0.638 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.153 -1.407 0.668 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.996 -0.198 -1.267 1.00 0.00 H new ATOM 733 N GLU A 47 -1.825 2.913 2.079 1.00 0.00 N ATOM 734 CA GLU A 47 -2.289 4.108 1.358 1.00 0.00 C ATOM 735 C GLU A 47 -1.559 5.393 1.792 1.00 0.00 C ATOM 736 O GLU A 47 -1.412 6.324 0.997 1.00 0.00 O ATOM 737 CB GLU A 47 -3.798 4.319 1.592 1.00 0.00 C ATOM 738 CG GLU A 47 -4.653 3.052 1.436 1.00 0.00 C ATOM 739 CD GLU A 47 -6.149 3.365 1.232 1.00 0.00 C ATOM 740 OE1 GLU A 47 -6.832 2.610 0.499 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.664 4.354 1.811 1.00 0.00 O ATOM 0 H GLU A 47 -2.581 2.422 2.556 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.073 3.927 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.944 4.719 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.159 5.073 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.288 2.474 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.534 2.427 2.321 1.00 0.00 H new ATOM 748 N TYR A 48 -1.090 5.452 3.046 1.00 0.00 N ATOM 749 CA TYR A 48 -0.352 6.595 3.597 1.00 0.00 C ATOM 750 C TYR A 48 1.119 6.625 3.148 1.00 0.00 C ATOM 751 O TYR A 48 1.799 7.631 3.351 1.00 0.00 O ATOM 752 CB TYR A 48 -0.375 6.551 5.135 1.00 0.00 C ATOM 753 CG TYR A 48 -1.703 6.416 5.870 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.653 6.165 7.254 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.957 6.520 5.228 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.835 5.994 7.995 1.00 0.00 C ATOM 757 CE2 TYR A 48 -4.143 6.310 5.956 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.088 6.051 7.344 1.00 0.00 C ATOM 759 OH TYR A 48 -5.240 5.848 8.040 1.00 0.00 O ATOM 0 H TYR A 48 -1.215 4.694 3.716 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.849 7.489 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.255 5.717 5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.104 7.462 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.697 6.103 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.006 6.761 4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.786 5.819 9.060 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.098 6.347 5.452 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.006 5.925 7.434 1.00 0.00 H new ATOM 769 N PHE A 49 1.641 5.523 2.601 1.00 0.00 N ATOM 770 CA PHE A 49 3.064 5.325 2.332 1.00 0.00 C ATOM 771 C PHE A 49 3.488 5.696 0.906 1.00 0.00 C ATOM 772 O PHE A 49 2.691 5.721 -0.033 1.00 0.00 O ATOM 773 CB PHE A 49 3.474 3.895 2.713 1.00 0.00 C ATOM 774 CG PHE A 49 3.558 3.677 4.213 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.390 3.492 4.978 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.812 3.694 4.853 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.473 3.323 6.371 1.00 0.00 C ATOM 778 CE2 PHE A 49 4.893 3.527 6.246 1.00 0.00 C ATOM 779 CZ PHE A 49 3.725 3.340 7.006 1.00 0.00 C ATOM 0 H PHE A 49 1.069 4.725 2.327 1.00 0.00 H new ATOM 0 HA PHE A 49 3.609 6.027 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.756 3.193 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.442 3.670 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.426 3.480 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.712 3.835 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.574 3.180 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.856 3.542 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.791 3.210 8.076 1.00 0.00 H new ATOM 789 N ALA A 50 4.783 5.971 0.771 1.00 0.00 N ATOM 790 CA ALA A 50 5.492 6.276 -0.462 1.00 0.00 C ATOM 791 C ALA A 50 6.920 5.707 -0.394 1.00 0.00 C ATOM 792 O ALA A 50 7.546 5.673 0.670 1.00 0.00 O ATOM 793 CB ALA A 50 5.494 7.799 -0.661 1.00 0.00 C ATOM 0 H ALA A 50 5.405 5.987 1.579 1.00 0.00 H new ATOM 0 HA ALA A 50 4.997 5.814 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.022 8.045 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.467 8.159 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.994 8.275 0.182 1.00 0.00 H new ATOM 799 N LEU A 51 7.447 5.256 -1.533 1.00 0.00 N ATOM 800 CA LEU A 51 8.864 4.922 -1.658 1.00 0.00 C ATOM 801 C LEU A 51 9.680 6.207 -1.861 1.00 0.00 C ATOM 802 O LEU A 51 9.236 7.157 -2.509 1.00 0.00 O ATOM 803 CB LEU A 51 9.066 3.899 -2.792 1.00 0.00 C ATOM 804 CG LEU A 51 8.773 2.448 -2.368 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.688 1.550 -3.603 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.865 1.885 -1.449 1.00 0.00 C ATOM 0 H LEU A 51 6.908 5.113 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 51 9.223 4.453 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.419 4.163 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.093 3.964 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 51 7.827 2.461 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.481 0.525 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.888 1.902 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.635 1.582 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.617 0.860 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.822 1.900 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.933 2.495 -0.548 1.00 0.00 H new ATOM 818 N GLN A 52 10.886 6.221 -1.308 1.00 0.00 N ATOM 819 CA GLN A 52 11.823 7.342 -1.301 1.00 0.00 C ATOM 820 C GLN A 52 13.220 6.823 -1.675 1.00 0.00 C ATOM 821 O GLN A 52 13.568 5.684 -1.368 1.00 0.00 O ATOM 822 CB GLN A 52 11.735 8.013 0.088 1.00 0.00 C ATOM 823 CG GLN A 52 12.747 9.116 0.431 1.00 0.00 C ATOM 824 CD GLN A 52 12.710 10.301 -0.528 1.00 0.00 C ATOM 825 OE1 GLN A 52 13.134 10.208 -1.666 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.238 11.459 -0.127 1.00 0.00 N ATOM 0 H GLN A 52 11.260 5.405 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 52 11.583 8.105 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.736 8.436 0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.828 7.231 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.554 9.472 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.750 8.690 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.877 11.562 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.232 12.256 -0.764 1.00 0.00 H new ATOM 835 N HIS A 53 14.021 7.632 -2.360 1.00 0.00 N ATOM 836 CA HIS A 53 15.407 7.292 -2.706 1.00 0.00 C ATOM 837 C HIS A 53 16.345 7.342 -1.495 1.00 0.00 C ATOM 838 O HIS A 53 16.204 8.193 -0.614 1.00 0.00 O ATOM 839 CB HIS A 53 15.922 8.210 -3.823 1.00 0.00 C ATOM 840 CG HIS A 53 15.963 7.550 -5.174 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.871 6.555 -5.551 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.166 7.853 -6.237 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.586 6.272 -6.834 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.568 7.035 -7.270 1.00 0.00 N ATOM 0 H HIS A 53 13.730 8.550 -2.696 1.00 0.00 H new ATOM 0 HA HIS A 53 15.403 6.262 -3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.285 9.093 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.924 8.555 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.376 8.589 -6.264 1.00 0.00 H new ATOM 0 HE1 HIS A 53 17.102 5.535 -7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.163 7.012 -8.206 1.00 0.00 H new ATOM 930 N TYR A 60 10.942 11.380 -4.024 1.00 0.00 N ATOM 931 CA TYR A 60 9.877 10.389 -3.819 1.00 0.00 C ATOM 932 C TYR A 60 9.534 9.689 -5.143 1.00 0.00 C ATOM 933 O TYR A 60 9.422 10.336 -6.189 1.00 0.00 O ATOM 934 CB TYR A 60 8.626 11.046 -3.222 1.00 0.00 C ATOM 935 CG TYR A 60 8.803 11.579 -1.813 1.00 0.00 C ATOM 936 CD1 TYR A 60 9.114 12.937 -1.599 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.633 10.715 -0.712 1.00 0.00 C ATOM 938 CE1 TYR A 60 9.257 13.432 -0.288 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.765 11.210 0.600 1.00 0.00 C ATOM 940 CZ TYR A 60 9.078 12.570 0.815 1.00 0.00 C ATOM 941 OH TYR A 60 9.209 13.057 2.080 1.00 0.00 O ATOM 0 HA TYR A 60 10.239 9.642 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.318 11.866 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.815 10.318 -3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.243 13.600 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.401 9.673 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.504 14.471 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.627 10.549 1.443 1.00 0.00 H new ATOM 0 HH TYR A 60 9.054 12.336 2.726 1.00 0.00 H new ATOM 951 N ILE A 61 9.365 8.367 -5.104 1.00 0.00 N ATOM 952 CA ILE A 61 9.098 7.551 -6.293 1.00 0.00 C ATOM 953 C ILE A 61 7.646 7.738 -6.753 1.00 0.00 C ATOM 954 O ILE A 61 6.709 7.614 -5.960 1.00 0.00 O ATOM 955 CB ILE A 61 9.448 6.068 -6.047 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.882 5.848 -5.508 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.232 5.239 -7.326 1.00 0.00 C ATOM 958 CD1 ILE A 61 12.015 6.462 -6.343 1.00 0.00 C ATOM 0 H ILE A 61 9.410 7.826 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 61 9.746 7.892 -7.101 1.00 0.00 H new ATOM 0 HB ILE A 61 8.768 5.727 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.937 6.258 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.058 4.775 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.484 4.197 -7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.188 5.308 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.870 5.624 -8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.973 6.245 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.000 6.036 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.877 7.541 -6.405 1.00 0.00 H new ATOM 970 N THR A 62 7.460 8.013 -8.044 1.00 0.00 N ATOM 971 CA THR A 62 6.161 8.222 -8.703 1.00 0.00 C ATOM 972 C THR A 62 6.142 7.572 -10.086 1.00 0.00 C ATOM 973 O THR A 62 7.187 7.281 -10.673 1.00 0.00 O ATOM 974 CB THR A 62 5.808 9.716 -8.854 1.00 0.00 C ATOM 975 OG1 THR A 62 6.649 10.342 -9.799 1.00 0.00 O ATOM 976 CG2 THR A 62 5.868 10.521 -7.555 1.00 0.00 C ATOM 0 H THR A 62 8.243 8.101 -8.692 1.00 0.00 H new ATOM 0 HA THR A 62 5.416 7.756 -8.058 1.00 0.00 H new ATOM 0 HB THR A 62 4.770 9.714 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.405 11.288 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.605 11.559 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.165 10.103 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.877 10.476 -7.145 1.00 0.00 H new ATOM 984 N GLU A 63 4.952 7.394 -10.663 1.00 0.00 N ATOM 985 CA GLU A 63 4.785 6.871 -12.030 1.00 0.00 C ATOM 986 C GLU A 63 5.455 7.761 -13.106 1.00 0.00 C ATOM 987 O GLU A 63 5.681 7.308 -14.231 1.00 0.00 O ATOM 988 CB GLU A 63 3.285 6.677 -12.326 1.00 0.00 C ATOM 989 CG GLU A 63 2.536 5.738 -11.354 1.00 0.00 C ATOM 990 CD GLU A 63 3.001 4.267 -11.369 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.593 3.495 -10.469 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.765 3.858 -12.275 1.00 0.00 O ATOM 0 H GLU A 63 4.070 7.608 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 63 5.296 5.910 -12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.799 7.653 -12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.179 6.285 -13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.647 6.127 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.473 5.768 -11.592 1.00 0.00 H new ATOM 999 N LYS A 64 5.814 9.008 -12.758 1.00 0.00 N ATOM 1000 CA LYS A 64 6.539 9.971 -13.606 1.00 0.00 C ATOM 1001 C LYS A 64 8.074 9.892 -13.501 1.00 0.00 C ATOM 1002 O LYS A 64 8.749 10.459 -14.363 1.00 0.00 O ATOM 1003 CB LYS A 64 6.058 11.398 -13.277 1.00 0.00 C ATOM 1004 CG LYS A 64 4.562 11.604 -13.573 1.00 0.00 C ATOM 1005 CD LYS A 64 4.144 13.056 -13.287 1.00 0.00 C ATOM 1006 CE LYS A 64 2.641 13.291 -13.501 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.250 13.215 -14.935 1.00 0.00 N ATOM 0 H LYS A 64 5.598 9.390 -11.837 1.00 0.00 H new ATOM 0 HA LYS A 64 6.307 9.705 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.248 11.607 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.641 12.116 -13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.356 11.360 -14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.969 10.923 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.405 13.310 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.709 13.727 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.077 12.550 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.370 14.270 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.227 13.380 -15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.767 13.939 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.483 12.273 -15.309 1.00 0.00 H new ATOM 1021 N ASN A 65 8.639 9.224 -12.483 1.00 0.00 N ATOM 1022 CA ASN A 65 10.097 9.182 -12.236 1.00 0.00 C ATOM 1023 C ASN A 65 10.683 7.791 -11.892 1.00 0.00 C ATOM 1024 O ASN A 65 11.905 7.635 -11.844 1.00 0.00 O ATOM 1025 CB ASN A 65 10.473 10.257 -11.195 1.00 0.00 C ATOM 1026 CG ASN A 65 10.016 9.967 -9.773 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.862 8.832 -9.350 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.772 10.981 -8.976 1.00 0.00 N ATOM 0 H ASN A 65 8.097 8.693 -11.801 1.00 0.00 H new ATOM 0 HA ASN A 65 10.572 9.409 -13.190 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.556 10.377 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.047 11.210 -11.510 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.459 10.814 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.895 11.936 -9.313 1.00 0.00 H new ATOM 1035 N ARG A 66 9.849 6.759 -11.694 1.00 0.00 N ATOM 1036 CA ARG A 66 10.271 5.376 -11.377 1.00 0.00 C ATOM 1037 C ARG A 66 11.216 4.740 -12.404 1.00 0.00 C ATOM 1038 O ARG A 66 11.953 3.816 -12.066 1.00 0.00 O ATOM 1039 CB ARG A 66 9.024 4.501 -11.177 1.00 0.00 C ATOM 1040 CG ARG A 66 8.168 4.376 -12.453 1.00 0.00 C ATOM 1041 CD ARG A 66 6.892 3.574 -12.210 1.00 0.00 C ATOM 1042 NE ARG A 66 7.183 2.184 -11.838 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.286 1.264 -11.560 1.00 0.00 C ATOM 1044 NH1 ARG A 66 5.011 1.476 -11.638 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.658 0.077 -11.195 1.00 0.00 N ATOM 0 H ARG A 66 8.836 6.860 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 66 10.856 5.437 -10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.332 3.507 -10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.415 4.922 -10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.907 5.371 -12.814 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.754 3.896 -13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.310 4.048 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.277 3.588 -13.110 1.00 0.00 H new ATOM 0 HE ARG A 66 8.164 1.909 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.663 2.390 -11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.355 0.729 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.651 -0.147 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.958 -0.633 -10.980 1.00 0.00 H new ATOM 1059 N ASN A 67 11.234 5.249 -13.638 1.00 0.00 N ATOM 1060 CA ASN A 67 12.157 4.839 -14.702 1.00 0.00 C ATOM 1061 C ASN A 67 13.642 5.086 -14.348 1.00 0.00 C ATOM 1062 O ASN A 67 14.524 4.460 -14.935 1.00 0.00 O ATOM 1063 CB ASN A 67 11.774 5.595 -15.990 1.00 0.00 C ATOM 1064 CG ASN A 67 12.134 7.071 -15.906 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.478 7.854 -15.232 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.219 7.472 -16.526 1.00 0.00 N ATOM 0 H ASN A 67 10.588 5.980 -13.935 1.00 0.00 H new ATOM 0 HA ASN A 67 12.061 3.762 -14.840 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.284 5.144 -16.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.704 5.491 -16.168 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.521 8.443 -16.448 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.760 6.813 -17.086 1.00 0.00 H new ATOM 1073 N GLU A 68 13.932 5.992 -13.404 1.00 0.00 N ATOM 1074 CA GLU A 68 15.294 6.275 -12.926 1.00 0.00 C ATOM 1075 C GLU A 68 15.850 5.180 -11.990 1.00 0.00 C ATOM 1076 O GLU A 68 17.055 5.141 -11.735 1.00 0.00 O ATOM 1077 CB GLU A 68 15.328 7.646 -12.226 1.00 0.00 C ATOM 1078 CG GLU A 68 14.862 8.834 -13.089 1.00 0.00 C ATOM 1079 CD GLU A 68 15.600 8.989 -14.435 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.823 8.711 -14.513 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.961 9.427 -15.423 1.00 0.00 O ATOM 0 H GLU A 68 13.218 6.557 -12.944 1.00 0.00 H new ATOM 0 HA GLU A 68 15.942 6.288 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.702 7.597 -11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.347 7.839 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.796 8.724 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.987 9.752 -12.515 1.00 0.00 H new ATOM 1088 N ILE A 69 14.999 4.275 -11.483 1.00 0.00 N ATOM 1089 CA ILE A 69 15.406 3.112 -10.683 1.00 0.00 C ATOM 1090 C ILE A 69 16.107 2.081 -11.583 1.00 0.00 C ATOM 1091 O ILE A 69 15.580 1.696 -12.633 1.00 0.00 O ATOM 1092 CB ILE A 69 14.190 2.483 -9.959 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.488 3.510 -9.036 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.614 1.249 -9.142 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.168 3.003 -8.443 1.00 0.00 C ATOM 0 H ILE A 69 13.990 4.333 -11.621 1.00 0.00 H new ATOM 0 HA ILE A 69 16.107 3.442 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 69 13.482 2.171 -10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.163 3.776 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.296 4.422 -9.601 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.742 0.826 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.049 0.504 -9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.352 1.543 -8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.734 3.775 -7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.475 2.764 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.356 2.108 -7.849 1.00 0.00 H new ATOM 1107 N LYS A 70 17.268 1.588 -11.136 1.00 0.00 N ATOM 1108 CA LYS A 70 18.021 0.474 -11.739 1.00 0.00 C ATOM 1109 C LYS A 70 18.128 -0.736 -10.804 1.00 0.00 C ATOM 1110 O LYS A 70 17.823 -0.642 -9.613 1.00 0.00 O ATOM 1111 CB LYS A 70 19.405 0.968 -12.207 1.00 0.00 C ATOM 1112 CG LYS A 70 20.306 1.455 -11.053 1.00 0.00 C ATOM 1113 CD LYS A 70 21.751 1.730 -11.496 1.00 0.00 C ATOM 1114 CE LYS A 70 22.501 0.431 -11.825 1.00 0.00 C ATOM 1115 NZ LYS A 70 23.920 0.694 -12.179 1.00 0.00 N ATOM 0 H LYS A 70 17.730 1.968 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 70 17.466 0.125 -12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.911 0.160 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.270 1.781 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.883 2.365 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.311 0.705 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.746 2.379 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.278 2.265 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.458 -0.242 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.006 -0.076 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.396 -0.205 -12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.961 1.316 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.398 1.155 -11.379 1.00 0.00 H new ATOM 1129 N ASN A 71 18.614 -1.863 -11.319 1.00 0.00 N ATOM 1130 CA ASN A 71 18.968 -3.021 -10.497 1.00 0.00 C ATOM 1131 C ASN A 71 20.041 -2.649 -9.448 1.00 0.00 C ATOM 1132 O ASN A 71 21.076 -2.067 -9.779 1.00 0.00 O ATOM 1133 CB ASN A 71 19.403 -4.195 -11.399 1.00 0.00 C ATOM 1134 CG ASN A 71 20.625 -3.899 -12.264 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.634 -2.993 -13.088 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.689 -4.656 -12.121 1.00 0.00 N ATOM 0 H ASN A 71 18.774 -2.001 -12.317 1.00 0.00 H new ATOM 0 HA ASN A 71 18.090 -3.345 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.617 -5.061 -10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.570 -4.469 -12.047 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.516 -4.487 -12.694 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.689 -5.412 -11.437 1.00 0.00 H new ATOM 1143 N GLY A 72 19.779 -2.979 -8.182 1.00 0.00 N ATOM 1144 CA GLY A 72 20.630 -2.646 -7.032 1.00 0.00 C ATOM 1145 C GLY A 72 20.379 -1.263 -6.409 1.00 0.00 C ATOM 1146 O GLY A 72 21.164 -0.841 -5.558 1.00 0.00 O ATOM 0 H GLY A 72 18.944 -3.501 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.486 -3.405 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.673 -2.702 -7.344 1.00 0.00 H new ATOM 1150 N THR A 73 19.315 -0.545 -6.799 1.00 0.00 N ATOM 1151 CA THR A 73 18.973 0.769 -6.209 1.00 0.00 C ATOM 1152 C THR A 73 18.599 0.635 -4.729 1.00 0.00 C ATOM 1153 O THR A 73 17.742 -0.179 -4.370 1.00 0.00 O ATOM 1154 CB THR A 73 17.817 1.459 -6.951 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.159 1.667 -8.299 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.457 2.836 -6.398 1.00 0.00 C ATOM 0 H THR A 73 18.669 -0.851 -7.526 1.00 0.00 H new ATOM 0 HA THR A 73 19.867 1.384 -6.308 1.00 0.00 H new ATOM 0 HB THR A 73 16.968 0.787 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.184 0.806 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.633 3.256 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.158 2.742 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.323 3.494 -6.469 1.00 0.00 H new ATOM 1164 N ILE A 74 19.202 1.461 -3.869 1.00 0.00 N ATOM 1165 CA ILE A 74 18.809 1.590 -2.461 1.00 0.00 C ATOM 1166 C ILE A 74 17.663 2.608 -2.344 1.00 0.00 C ATOM 1167 O ILE A 74 17.786 3.760 -2.771 1.00 0.00 O ATOM 1168 CB ILE A 74 19.996 1.956 -1.538 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.277 1.149 -1.865 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.586 1.723 -0.070 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.512 1.617 -1.086 1.00 0.00 C ATOM 0 H ILE A 74 19.982 2.064 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 74 18.461 0.616 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 74 20.234 3.006 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.098 0.096 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.481 1.224 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.418 1.979 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.728 2.350 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.322 0.675 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.371 1.007 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.716 2.661 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.328 1.515 -0.017 1.00 0.00 H new ATOM 1183 N LEU A 75 16.557 2.176 -1.747 1.00 0.00 N ATOM 1184 CA LEU A 75 15.348 2.952 -1.464 1.00 0.00 C ATOM 1185 C LEU A 75 15.042 2.932 0.045 1.00 0.00 C ATOM 1186 O LEU A 75 15.718 2.267 0.829 1.00 0.00 O ATOM 1187 CB LEU A 75 14.171 2.373 -2.279 1.00 0.00 C ATOM 1188 CG LEU A 75 14.315 2.389 -3.812 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.061 1.772 -4.435 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.467 3.803 -4.375 1.00 0.00 C ATOM 0 H LEU A 75 16.473 1.212 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 75 15.501 3.991 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.014 1.342 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.270 2.928 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 75 15.215 1.824 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.153 1.779 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.949 0.745 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.186 2.352 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.565 3.754 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.589 4.394 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.356 4.270 -3.951 1.00 0.00 H new ATOM 1202 N ARG A 76 13.989 3.639 0.455 1.00 0.00 N ATOM 1203 CA ARG A 76 13.488 3.749 1.826 1.00 0.00 C ATOM 1204 C ARG A 76 11.961 3.837 1.820 1.00 0.00 C ATOM 1205 O ARG A 76 11.389 4.555 1.001 1.00 0.00 O ATOM 1206 CB ARG A 76 14.153 4.983 2.460 1.00 0.00 C ATOM 1207 CG ARG A 76 13.852 5.123 3.956 1.00 0.00 C ATOM 1208 CD ARG A 76 14.625 6.287 4.593 1.00 0.00 C ATOM 1209 NE ARG A 76 16.091 6.093 4.541 1.00 0.00 N ATOM 1210 CZ ARG A 76 17.023 6.997 4.766 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.753 8.226 5.108 1.00 0.00 N ATOM 1212 NH2 ARG A 76 18.268 6.652 4.646 1.00 0.00 N ATOM 0 H ARG A 76 13.429 4.183 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 76 13.739 2.869 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.232 4.922 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.813 5.879 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.782 5.278 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.110 4.195 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.367 7.214 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.314 6.400 5.632 1.00 0.00 H new ATOM 0 HE ARG A 76 16.416 5.156 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.783 8.525 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.511 8.888 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.509 5.697 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.005 7.336 4.816 1.00 0.00 H new ATOM 1226 N LEU A 77 11.300 3.117 2.723 1.00 0.00 N ATOM 1227 CA LEU A 77 9.866 3.269 2.981 1.00 0.00 C ATOM 1228 C LEU A 77 9.626 4.449 3.934 1.00 0.00 C ATOM 1229 O LEU A 77 10.336 4.611 4.927 1.00 0.00 O ATOM 1230 CB LEU A 77 9.302 1.948 3.534 1.00 0.00 C ATOM 1231 CG LEU A 77 7.806 1.989 3.871 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.970 2.073 2.588 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.391 0.740 4.631 1.00 0.00 C ATOM 0 H LEU A 77 11.746 2.405 3.302 1.00 0.00 H new ATOM 0 HA LEU A 77 9.339 3.493 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.476 1.159 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.857 1.678 4.432 1.00 0.00 H new ATOM 0 HG LEU A 77 7.632 2.870 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.911 2.101 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.235 2.977 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.169 1.200 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.326 0.790 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.590 -0.141 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.959 0.673 5.559 1.00 0.00 H new ATOM 1245 N THR A 78 8.611 5.265 3.652 1.00 0.00 N ATOM 1246 CA THR A 78 8.228 6.421 4.475 1.00 0.00 C ATOM 1247 C THR A 78 6.759 6.795 4.229 1.00 0.00 C ATOM 1248 O THR A 78 6.183 6.407 3.212 1.00 0.00 O ATOM 1249 CB THR A 78 9.194 7.591 4.198 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.928 8.683 5.050 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.156 8.102 2.754 1.00 0.00 C ATOM 0 H THR A 78 8.018 5.142 2.831 1.00 0.00 H new ATOM 0 HA THR A 78 8.310 6.168 5.532 1.00 0.00 H new ATOM 0 HB THR A 78 10.185 7.179 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.555 9.410 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.863 8.924 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.427 7.294 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.151 8.452 2.518 1.00 0.00 H new ATOM 1259 N THR A 79 6.112 7.518 5.145 1.00 0.00 N ATOM 1260 CA THR A 79 4.788 8.105 4.870 1.00 0.00 C ATOM 1261 C THR A 79 4.913 9.283 3.890 1.00 0.00 C ATOM 1262 O THR A 79 5.899 10.025 3.900 1.00 0.00 O ATOM 1263 CB THR A 79 4.026 8.494 6.147 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.824 9.269 7.022 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.521 7.266 6.908 1.00 0.00 C ATOM 0 H THR A 79 6.475 7.713 6.078 1.00 0.00 H new ATOM 0 HA THR A 79 4.185 7.330 4.396 1.00 0.00 H new ATOM 0 HB THR A 79 3.174 9.087 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.305 9.498 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.988 7.586 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.847 6.694 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.367 6.641 7.193 1.00 0.00 H new ATOM 1273 N SER A 80 3.918 9.445 3.016 1.00 0.00 N ATOM 1274 CA SER A 80 3.883 10.435 1.927 1.00 0.00 C ATOM 1275 C SER A 80 4.059 11.886 2.424 1.00 0.00 C ATOM 1276 O SER A 80 3.615 12.216 3.532 1.00 0.00 O ATOM 1277 CB SER A 80 2.569 10.252 1.146 1.00 0.00 C ATOM 1278 OG SER A 80 2.191 11.403 0.408 1.00 0.00 O ATOM 0 H SER A 80 3.077 8.868 3.045 1.00 0.00 H new ATOM 0 HA SER A 80 4.733 10.259 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.675 9.409 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.771 9.998 1.844 1.00 0.00 H new ATOM 0 HG SER A 80 1.352 11.226 -0.067 1.00 0.00 H new