USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.386 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 24 MET CE :methyl 175:sc= 0 (180deg=-0.0389) USER MOD Single : A 34 GLN : amide:sc= -1.44 K(o=-1.4,f=-6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 48 SER OG : rot 180:sc= -0.609 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-1) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -3.17! C(o=-3.7!,f=-3.2!) USER MOD Single : A 73 GLN : amide:sc=-0.000483 K(o=-0.00048,f=-0.96) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc=-0.00812 F(o=-0.8,f=-0.0081) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.721 16.464 -11.396 1.00 51.13 N ATOM 146 CA TYR A 11 8.666 17.500 -11.795 1.00 40.32 C ATOM 147 C TYR A 11 9.738 17.700 -10.728 1.00 70.01 C ATOM 148 O TYR A 11 9.431 17.978 -9.569 1.00 3.03 O ATOM 149 CB TYR A 11 7.933 18.818 -12.050 1.00 54.20 C ATOM 150 CG TYR A 11 7.123 18.823 -13.327 1.00 12.41 C ATOM 151 CD1 TYR A 11 7.746 18.782 -14.568 1.00 43.40 C ATOM 152 CD2 TYR A 11 5.735 18.870 -13.292 1.00 53.34 C ATOM 153 CE1 TYR A 11 7.011 18.788 -15.737 1.00 74.34 C ATOM 154 CE2 TYR A 11 4.991 18.874 -14.457 1.00 0.44 C ATOM 155 CZ TYR A 11 5.633 18.833 -15.676 1.00 45.34 C ATOM 156 OH TYR A 11 4.896 18.839 -16.838 1.00 63.34 O ATOM 0 HA TYR A 11 9.151 17.178 -12.716 1.00 40.32 H new ATOM 0 HB2 TYR A 11 7.271 19.025 -11.209 1.00 54.20 H new ATOM 0 HB3 TYR A 11 8.662 19.628 -12.089 1.00 54.20 H new ATOM 0 HD1 TYR A 11 8.824 18.745 -14.619 1.00 43.40 H new ATOM 0 HD2 TYR A 11 5.229 18.904 -12.339 1.00 53.34 H new ATOM 0 HE1 TYR A 11 7.512 18.758 -16.693 1.00 74.34 H new ATOM 0 HE2 TYR A 11 3.912 18.909 -14.412 1.00 0.44 H new ATOM 0 HH TYR A 11 3.941 18.872 -16.620 1.00 63.34 H new ATOM 166 N ARG A 12 10.997 17.556 -11.129 1.00 52.53 N ATOM 167 CA ARG A 12 12.115 17.720 -10.209 1.00 4.12 C ATOM 168 C ARG A 12 12.254 19.177 -9.775 1.00 60.41 C ATOM 169 O ARG A 12 12.448 19.466 -8.595 1.00 50.51 O ATOM 170 CB ARG A 12 13.415 17.245 -10.862 1.00 12.50 C ATOM 171 CG ARG A 12 13.713 17.924 -12.189 1.00 14.10 C ATOM 172 CD ARG A 12 14.358 16.962 -13.174 1.00 43.20 C ATOM 173 NE ARG A 12 14.229 17.423 -14.554 1.00 3.22 N ATOM 174 CZ ARG A 12 14.664 16.734 -15.603 1.00 34.43 C ATOM 175 NH1 ARG A 12 15.252 15.558 -15.430 1.00 35.20 N ATOM 176 NH2 ARG A 12 14.510 17.220 -16.828 1.00 33.33 N ATOM 0 H ARG A 12 11.268 17.326 -12.085 1.00 52.53 H new ATOM 0 HA ARG A 12 11.917 17.113 -9.325 1.00 4.12 H new ATOM 0 HB2 ARG A 12 14.243 17.426 -10.177 1.00 12.50 H new ATOM 0 HB3 ARG A 12 13.361 16.168 -11.019 1.00 12.50 H new ATOM 0 HG2 ARG A 12 12.789 18.316 -12.614 1.00 14.10 H new ATOM 0 HG3 ARG A 12 14.374 18.775 -12.023 1.00 14.10 H new ATOM 0 HD2 ARG A 12 15.413 16.845 -12.928 1.00 43.20 H new ATOM 0 HD3 ARG A 12 13.897 15.979 -13.076 1.00 43.20 H new ATOM 0 HE ARG A 12 13.780 18.324 -14.721 1.00 3.22 H new ATOM 0 HH11 ARG A 12 15.371 15.181 -14.490 1.00 35.20 H new ATOM 0 HH12 ARG A 12 15.585 15.031 -16.237 1.00 35.20 H new ATOM 0 HH21 ARG A 12 14.057 18.124 -16.965 1.00 33.33 H new ATOM 0 HH22 ARG A 12 14.844 16.690 -17.633 1.00 33.33 H new ATOM 190 N GLU A 13 12.154 20.088 -10.738 1.00 74.41 N ATOM 191 CA GLU A 13 12.269 21.513 -10.455 1.00 3.30 C ATOM 192 C GLU A 13 11.215 21.955 -9.444 1.00 73.42 C ATOM 193 O GLU A 13 11.503 22.722 -8.525 1.00 64.32 O ATOM 194 CB GLU A 13 12.127 22.325 -11.744 1.00 42.12 C ATOM 195 CG GLU A 13 13.340 22.237 -12.656 1.00 35.22 C ATOM 196 CD GLU A 13 12.963 22.020 -14.108 1.00 55.15 C ATOM 197 OE1 GLU A 13 11.908 22.538 -14.532 1.00 44.12 O ATOM 198 OE2 GLU A 13 13.723 21.332 -14.822 1.00 13.13 O ATOM 0 H GLU A 13 11.994 19.864 -11.720 1.00 74.41 H new ATOM 0 HA GLU A 13 13.255 21.693 -10.027 1.00 3.30 H new ATOM 0 HB2 GLU A 13 11.248 21.977 -12.287 1.00 42.12 H new ATOM 0 HB3 GLU A 13 11.951 23.370 -11.488 1.00 42.12 H new ATOM 0 HG2 GLU A 13 13.923 23.154 -12.569 1.00 35.22 H new ATOM 0 HG3 GLU A 13 13.981 21.420 -12.325 1.00 35.22 H new ATOM 205 N ILE A 14 9.992 21.465 -9.622 1.00 3.13 N ATOM 206 CA ILE A 14 8.895 21.808 -8.726 1.00 0.24 C ATOM 207 C ILE A 14 9.224 21.432 -7.285 1.00 33.11 C ATOM 208 O ILE A 14 8.639 21.968 -6.344 1.00 41.00 O ATOM 209 CB ILE A 14 7.588 21.108 -9.142 1.00 22.40 C ATOM 210 CG1 ILE A 14 7.184 21.532 -10.555 1.00 42.23 C ATOM 211 CG2 ILE A 14 6.478 21.424 -8.150 1.00 45.15 C ATOM 212 CD1 ILE A 14 6.856 23.004 -10.674 1.00 1.15 C ATOM 0 H ILE A 14 9.737 20.830 -10.378 1.00 3.13 H new ATOM 0 HA ILE A 14 8.757 22.887 -8.795 1.00 0.24 H new ATOM 0 HB ILE A 14 7.754 20.031 -9.140 1.00 22.40 H new ATOM 0 HG12 ILE A 14 7.994 21.292 -11.243 1.00 42.23 H new ATOM 0 HG13 ILE A 14 6.318 20.949 -10.867 1.00 42.23 H new ATOM 0 HG21 ILE A 14 5.561 20.922 -8.458 1.00 45.15 H new ATOM 0 HG22 ILE A 14 6.767 21.076 -7.158 1.00 45.15 H new ATOM 0 HG23 ILE A 14 6.310 22.501 -8.122 1.00 45.15 H new ATOM 0 HD11 ILE A 14 6.578 23.233 -11.703 1.00 1.15 H new ATOM 0 HD12 ILE A 14 6.025 23.246 -10.011 1.00 1.15 H new ATOM 0 HD13 ILE A 14 7.728 23.595 -10.394 1.00 1.15 H new ATOM 224 N MET A 15 10.164 20.508 -7.120 1.00 65.34 N ATOM 225 CA MET A 15 10.573 20.062 -5.793 1.00 64.25 C ATOM 226 C MET A 15 10.932 21.250 -4.907 1.00 52.41 C ATOM 227 O MET A 15 10.845 21.170 -3.682 1.00 45.23 O ATOM 228 CB MET A 15 11.767 19.110 -5.897 1.00 74.12 C ATOM 229 CG MET A 15 12.148 18.467 -4.573 1.00 43.55 C ATOM 230 SD MET A 15 13.865 18.782 -4.118 1.00 75.43 S ATOM 231 CE MET A 15 14.493 17.109 -3.993 1.00 1.10 C ATOM 0 H MET A 15 10.657 20.053 -7.888 1.00 65.34 H new ATOM 0 HA MET A 15 9.734 19.534 -5.340 1.00 64.25 H new ATOM 0 HB2 MET A 15 11.535 18.327 -6.619 1.00 74.12 H new ATOM 0 HB3 MET A 15 12.625 19.658 -6.286 1.00 74.12 H new ATOM 0 HG2 MET A 15 11.493 18.845 -3.788 1.00 43.55 H new ATOM 0 HG3 MET A 15 11.984 17.391 -4.635 1.00 43.55 H new ATOM 0 HE1 MET A 15 15.547 17.136 -3.717 1.00 1.10 H new ATOM 0 HE2 MET A 15 13.933 16.566 -3.232 1.00 1.10 H new ATOM 0 HE3 MET A 15 14.382 16.606 -4.954 1.00 1.10 H new ATOM 241 N GLU A 16 11.334 22.351 -5.535 1.00 2.13 N ATOM 242 CA GLU A 16 11.706 23.555 -4.801 1.00 45.01 C ATOM 243 C GLU A 16 10.577 24.000 -3.876 1.00 61.32 C ATOM 244 O GLU A 16 10.778 24.180 -2.674 1.00 72.33 O ATOM 245 CB GLU A 16 12.058 24.683 -5.773 1.00 44.02 C ATOM 246 CG GLU A 16 13.416 24.515 -6.435 1.00 74.43 C ATOM 247 CD GLU A 16 14.528 24.274 -5.433 1.00 51.31 C ATOM 248 OE1 GLU A 16 14.954 25.246 -4.774 1.00 71.25 O ATOM 249 OE2 GLU A 16 14.972 23.114 -5.308 1.00 20.34 O ATOM 0 H GLU A 16 11.410 22.434 -6.549 1.00 2.13 H new ATOM 0 HA GLU A 16 12.580 23.323 -4.193 1.00 45.01 H new ATOM 0 HB2 GLU A 16 11.291 24.738 -6.546 1.00 44.02 H new ATOM 0 HB3 GLU A 16 12.039 25.632 -5.237 1.00 44.02 H new ATOM 0 HG2 GLU A 16 13.374 23.679 -7.134 1.00 74.43 H new ATOM 0 HG3 GLU A 16 13.645 25.407 -7.018 1.00 74.43 H new ATOM 256 N LEU A 17 9.390 24.176 -4.445 1.00 35.30 N ATOM 257 CA LEU A 17 8.227 24.600 -3.673 1.00 32.02 C ATOM 258 C LEU A 17 7.562 23.409 -2.990 1.00 25.22 C ATOM 259 O LEU A 17 7.241 23.462 -1.802 1.00 62.40 O ATOM 260 CB LEU A 17 7.219 25.310 -4.579 1.00 64.32 C ATOM 261 CG LEU A 17 6.285 26.307 -3.893 1.00 5.11 C ATOM 262 CD1 LEU A 17 6.739 27.734 -4.160 1.00 21.12 C ATOM 263 CD2 LEU A 17 4.852 26.105 -4.362 1.00 31.14 C ATOM 0 H LEU A 17 9.207 24.032 -5.438 1.00 35.30 H new ATOM 0 HA LEU A 17 8.567 25.294 -2.904 1.00 32.02 H new ATOM 0 HB2 LEU A 17 7.770 25.836 -5.359 1.00 64.32 H new ATOM 0 HB3 LEU A 17 6.610 24.554 -5.074 1.00 64.32 H new ATOM 0 HG LEU A 17 6.323 26.130 -2.818 1.00 5.11 H new ATOM 0 HD11 LEU A 17 6.062 28.430 -3.664 1.00 21.12 H new ATOM 0 HD12 LEU A 17 7.749 27.873 -3.774 1.00 21.12 H new ATOM 0 HD13 LEU A 17 6.731 27.923 -5.233 1.00 21.12 H new ATOM 0 HD21 LEU A 17 4.201 26.823 -3.863 1.00 31.14 H new ATOM 0 HD22 LEU A 17 4.798 26.254 -5.440 1.00 31.14 H new ATOM 0 HD23 LEU A 17 4.529 25.093 -4.119 1.00 31.14 H new ATOM 275 N CYS A 18 7.362 22.336 -3.747 1.00 14.01 N ATOM 276 CA CYS A 18 6.737 21.130 -3.214 1.00 52.42 C ATOM 277 C CYS A 18 7.369 20.733 -1.884 1.00 71.43 C ATOM 278 O CYS A 18 6.681 20.280 -0.969 1.00 23.31 O ATOM 279 CB CYS A 18 6.861 19.981 -4.216 1.00 1.43 C ATOM 280 SG CYS A 18 6.281 18.388 -3.587 1.00 43.32 S ATOM 0 H CYS A 18 7.623 22.276 -4.731 1.00 14.01 H new ATOM 0 HA CYS A 18 5.681 21.341 -3.045 1.00 52.42 H new ATOM 0 HB2 CYS A 18 6.296 20.233 -5.113 1.00 1.43 H new ATOM 0 HB3 CYS A 18 7.905 19.884 -4.514 1.00 1.43 H new ATOM 0 HG CYS A 18 6.424 17.480 -4.506 1.00 43.32 H new ATOM 286 N PHE A 19 8.683 20.903 -1.785 1.00 41.43 N ATOM 287 CA PHE A 19 9.409 20.560 -0.568 1.00 61.32 C ATOM 288 C PHE A 19 8.792 21.247 0.646 1.00 55.40 C ATOM 289 O PHE A 19 8.632 20.639 1.704 1.00 24.32 O ATOM 290 CB PHE A 19 10.881 20.955 -0.698 1.00 44.24 C ATOM 291 CG PHE A 19 11.705 20.607 0.509 1.00 73.45 C ATOM 292 CD1 PHE A 19 11.730 21.444 1.612 1.00 52.10 C ATOM 293 CD2 PHE A 19 12.454 19.441 0.539 1.00 1.43 C ATOM 294 CE1 PHE A 19 12.486 21.126 2.724 1.00 1.14 C ATOM 295 CE2 PHE A 19 13.212 19.118 1.649 1.00 52.01 C ATOM 296 CZ PHE A 19 13.229 19.962 2.742 1.00 31.13 C ATOM 0 H PHE A 19 9.267 21.276 -2.533 1.00 41.43 H new ATOM 0 HA PHE A 19 9.341 19.481 -0.427 1.00 61.32 H new ATOM 0 HB2 PHE A 19 11.305 20.461 -1.572 1.00 44.24 H new ATOM 0 HB3 PHE A 19 10.946 22.029 -0.875 1.00 44.24 H new ATOM 0 HD1 PHE A 19 11.152 22.356 1.603 1.00 52.10 H new ATOM 0 HD2 PHE A 19 12.445 18.778 -0.314 1.00 1.43 H new ATOM 0 HE1 PHE A 19 12.496 21.787 3.578 1.00 1.14 H new ATOM 0 HE2 PHE A 19 13.791 18.206 1.661 1.00 52.01 H new ATOM 0 HZ PHE A 19 13.822 19.712 3.609 1.00 31.13 H new ATOM 306 N VAL A 20 8.446 22.521 0.485 1.00 32.22 N ATOM 307 CA VAL A 20 7.845 23.292 1.567 1.00 43.42 C ATOM 308 C VAL A 20 6.381 22.917 1.762 1.00 13.12 C ATOM 309 O VAL A 20 5.909 22.786 2.892 1.00 74.11 O ATOM 310 CB VAL A 20 7.945 24.806 1.299 1.00 73.11 C ATOM 311 CG1 VAL A 20 7.160 25.586 2.343 1.00 73.24 C ATOM 312 CG2 VAL A 20 9.400 25.248 1.274 1.00 22.34 C ATOM 0 H VAL A 20 8.572 23.040 -0.384 1.00 32.22 H new ATOM 0 HA VAL A 20 8.401 23.053 2.473 1.00 43.42 H new ATOM 0 HB VAL A 20 7.510 25.014 0.322 1.00 73.11 H new ATOM 0 HG11 VAL A 20 7.242 26.653 2.138 1.00 73.24 H new ATOM 0 HG12 VAL A 20 6.112 25.289 2.307 1.00 73.24 H new ATOM 0 HG13 VAL A 20 7.563 25.375 3.334 1.00 73.24 H new ATOM 0 HG21 VAL A 20 9.451 26.320 1.083 1.00 22.34 H new ATOM 0 HG22 VAL A 20 9.864 25.028 2.235 1.00 22.34 H new ATOM 0 HG23 VAL A 20 9.929 24.714 0.485 1.00 22.34 H new ATOM 322 N ILE A 21 5.667 22.745 0.655 1.00 50.12 N ATOM 323 CA ILE A 21 4.256 22.383 0.704 1.00 11.05 C ATOM 324 C ILE A 21 4.059 21.032 1.384 1.00 14.32 C ATOM 325 O ILE A 21 3.036 20.793 2.027 1.00 5.14 O ATOM 326 CB ILE A 21 3.638 22.331 -0.705 1.00 61.33 C ATOM 327 CG1 ILE A 21 3.956 23.615 -1.473 1.00 40.51 C ATOM 328 CG2 ILE A 21 2.134 22.118 -0.617 1.00 42.30 C ATOM 329 CD1 ILE A 21 3.512 24.872 -0.758 1.00 55.33 C ATOM 0 H ILE A 21 6.043 22.851 -0.287 1.00 50.12 H new ATOM 0 HA ILE A 21 3.752 23.156 1.284 1.00 11.05 H new ATOM 0 HB ILE A 21 4.073 21.490 -1.245 1.00 61.33 H new ATOM 0 HG12 ILE A 21 5.030 23.667 -1.649 1.00 40.51 H new ATOM 0 HG13 ILE A 21 3.475 23.573 -2.450 1.00 40.51 H new ATOM 0 HG21 ILE A 21 1.712 22.084 -1.621 1.00 42.30 H new ATOM 0 HG22 ILE A 21 1.929 21.178 -0.105 1.00 42.30 H new ATOM 0 HG23 ILE A 21 1.682 22.940 -0.062 1.00 42.30 H new ATOM 0 HD11 ILE A 21 3.770 25.743 -1.360 1.00 55.33 H new ATOM 0 HD12 ILE A 21 2.433 24.842 -0.606 1.00 55.33 H new ATOM 0 HD13 ILE A 21 4.013 24.937 0.208 1.00 55.33 H new ATOM 341 N ARG A 22 5.045 20.153 1.239 1.00 55.14 N ATOM 342 CA ARG A 22 4.980 18.826 1.839 1.00 52.20 C ATOM 343 C ARG A 22 5.098 18.910 3.358 1.00 42.40 C ATOM 344 O ARG A 22 4.662 18.011 4.077 1.00 72.20 O ATOM 345 CB ARG A 22 6.090 17.935 1.279 1.00 71.01 C ATOM 346 CG ARG A 22 6.235 16.610 2.010 1.00 15.30 C ATOM 347 CD ARG A 22 7.260 16.701 3.129 1.00 31.13 C ATOM 348 NE ARG A 22 8.468 15.937 2.828 1.00 33.13 N ATOM 349 CZ ARG A 22 9.496 15.829 3.662 1.00 31.04 C ATOM 350 NH1 ARG A 22 9.463 16.432 4.843 1.00 53.35 N ATOM 351 NH2 ARG A 22 10.560 15.116 3.317 1.00 61.33 N ATOM 0 H ARG A 22 5.898 20.336 0.711 1.00 55.14 H new ATOM 0 HA ARG A 22 4.013 18.389 1.590 1.00 52.20 H new ATOM 0 HB2 ARG A 22 5.890 17.739 0.226 1.00 71.01 H new ATOM 0 HB3 ARG A 22 7.036 18.473 1.329 1.00 71.01 H new ATOM 0 HG2 ARG A 22 5.271 16.313 2.422 1.00 15.30 H new ATOM 0 HG3 ARG A 22 6.533 15.834 1.304 1.00 15.30 H new ATOM 0 HD2 ARG A 22 7.524 17.746 3.295 1.00 31.13 H new ATOM 0 HD3 ARG A 22 6.819 16.332 4.055 1.00 31.13 H new ATOM 0 HE ARG A 22 8.525 15.460 1.928 1.00 33.13 H new ATOM 0 HH11 ARG A 22 8.647 16.981 5.113 1.00 53.35 H new ATOM 0 HH12 ARG A 22 10.254 16.347 5.481 1.00 53.35 H new ATOM 0 HH21 ARG A 22 10.589 14.650 2.410 1.00 61.33 H new ATOM 0 HH22 ARG A 22 11.349 15.034 3.958 1.00 61.33 H new ATOM 365 N THR A 23 5.692 19.997 3.841 1.00 41.41 N ATOM 366 CA THR A 23 5.870 20.199 5.273 1.00 33.23 C ATOM 367 C THR A 23 4.575 20.669 5.927 1.00 23.52 C ATOM 368 O THR A 23 4.387 20.514 7.133 1.00 13.04 O ATOM 369 CB THR A 23 6.980 21.226 5.563 1.00 41.42 C ATOM 370 OG1 THR A 23 6.473 22.555 5.397 1.00 11.35 O ATOM 371 CG2 THR A 23 8.169 21.013 4.638 1.00 1.31 C ATOM 0 H THR A 23 6.058 20.751 3.260 1.00 41.41 H new ATOM 0 HA THR A 23 6.158 19.236 5.694 1.00 33.23 H new ATOM 0 HB THR A 23 7.311 21.089 6.592 1.00 41.42 H new ATOM 0 HG1 THR A 23 6.570 22.828 4.461 1.00 11.35 H new ATOM 0 HG21 THR A 23 8.940 21.750 4.861 1.00 1.31 H new ATOM 0 HG22 THR A 23 8.571 20.011 4.787 1.00 1.31 H new ATOM 0 HG23 THR A 23 7.849 21.125 3.602 1.00 1.31 H new ATOM 379 N MET A 24 3.686 21.242 5.123 1.00 11.02 N ATOM 380 CA MET A 24 2.407 21.733 5.625 1.00 65.42 C ATOM 381 C MET A 24 1.325 20.666 5.490 1.00 42.21 C ATOM 382 O MET A 24 0.557 20.427 6.421 1.00 21.00 O ATOM 383 CB MET A 24 1.991 22.997 4.871 1.00 72.01 C ATOM 384 CG MET A 24 2.836 24.214 5.212 1.00 74.13 C ATOM 385 SD MET A 24 1.941 25.425 6.203 1.00 13.12 S ATOM 386 CE MET A 24 1.934 24.616 7.801 1.00 3.23 C ATOM 0 H MET A 24 3.827 21.378 4.122 1.00 11.02 H new ATOM 0 HA MET A 24 2.526 21.972 6.682 1.00 65.42 H new ATOM 0 HB2 MET A 24 2.056 22.809 3.799 1.00 72.01 H new ATOM 0 HB3 MET A 24 0.947 23.216 5.094 1.00 72.01 H new ATOM 0 HG2 MET A 24 3.726 23.893 5.754 1.00 74.13 H new ATOM 0 HG3 MET A 24 3.176 24.685 4.290 1.00 74.13 H new ATOM 0 HE1 MET A 24 1.493 25.281 8.544 1.00 3.23 H new ATOM 0 HE2 MET A 24 1.348 23.699 7.742 1.00 3.23 H new ATOM 0 HE3 MET A 24 2.957 24.375 8.091 1.00 3.23 H new ATOM 536 N ILE A 33 -0.788 17.433 -2.642 1.00 30.41 N ATOM 537 CA ILE A 33 -0.540 18.442 -1.620 1.00 45.12 C ATOM 538 C ILE A 33 -1.307 19.726 -1.918 1.00 23.12 C ATOM 539 O ILE A 33 -1.368 20.172 -3.063 1.00 43.11 O ATOM 540 CB ILE A 33 0.961 18.769 -1.505 1.00 41.01 C ATOM 541 CG1 ILE A 33 1.801 17.603 -2.030 1.00 22.23 C ATOM 542 CG2 ILE A 33 1.325 19.084 -0.062 1.00 2.21 C ATOM 543 CD1 ILE A 33 3.290 17.803 -1.853 1.00 41.35 C ATOM 0 HA ILE A 33 -0.887 18.026 -0.674 1.00 45.12 H new ATOM 0 HB ILE A 33 1.174 19.648 -2.113 1.00 41.01 H new ATOM 0 HG12 ILE A 33 1.502 16.690 -1.516 1.00 22.23 H new ATOM 0 HG13 ILE A 33 1.585 17.458 -3.089 1.00 22.23 H new ATOM 0 HG21 ILE A 33 2.389 19.313 0.003 1.00 2.21 H new ATOM 0 HG22 ILE A 33 0.747 19.943 0.280 1.00 2.21 H new ATOM 0 HG23 ILE A 33 1.100 18.222 0.566 1.00 2.21 H new ATOM 0 HD11 ILE A 33 3.823 16.938 -2.247 1.00 41.35 H new ATOM 0 HD12 ILE A 33 3.603 18.698 -2.390 1.00 41.35 H new ATOM 0 HD13 ILE A 33 3.518 17.918 -0.793 1.00 41.35 H new ATOM 555 N GLN A 34 -1.889 20.315 -0.878 1.00 41.35 N ATOM 556 CA GLN A 34 -2.651 21.549 -1.029 1.00 12.10 C ATOM 557 C GLN A 34 -2.545 22.411 0.225 1.00 42.13 C ATOM 558 O GLN A 34 -2.588 21.903 1.345 1.00 15.34 O ATOM 559 CB GLN A 34 -4.119 21.234 -1.322 1.00 70.14 C ATOM 560 CG GLN A 34 -4.341 20.568 -2.671 1.00 45.41 C ATOM 561 CD GLN A 34 -4.398 19.057 -2.574 1.00 23.34 C ATOM 562 OE1 GLN A 34 -3.789 18.457 -1.687 1.00 35.22 O ATOM 563 NE2 GLN A 34 -5.131 18.432 -3.487 1.00 71.42 N ATOM 0 H GLN A 34 -1.847 19.958 0.077 1.00 41.35 H new ATOM 0 HA GLN A 34 -2.231 22.105 -1.867 1.00 12.10 H new ATOM 0 HB2 GLN A 34 -4.506 20.584 -0.537 1.00 70.14 H new ATOM 0 HB3 GLN A 34 -4.695 22.159 -1.283 1.00 70.14 H new ATOM 0 HG2 GLN A 34 -5.271 20.936 -3.105 1.00 45.41 H new ATOM 0 HG3 GLN A 34 -3.538 20.855 -3.350 1.00 45.41 H new ATOM 0 HE21 GLN A 34 -5.619 18.969 -4.204 1.00 71.42 H new ATOM 0 HE22 GLN A 34 -5.206 17.415 -3.472 1.00 71.42 H new ATOM 572 N VAL A 35 -2.404 23.718 0.028 1.00 14.20 N ATOM 573 CA VAL A 35 -2.292 24.651 1.143 1.00 54.43 C ATOM 574 C VAL A 35 -2.695 26.060 0.722 1.00 13.45 C ATOM 575 O VAL A 35 -2.547 26.441 -0.439 1.00 70.45 O ATOM 576 CB VAL A 35 -0.859 24.685 1.704 1.00 4.23 C ATOM 577 CG1 VAL A 35 -0.627 23.515 2.648 1.00 63.23 C ATOM 578 CG2 VAL A 35 0.157 24.677 0.572 1.00 41.21 C ATOM 0 H VAL A 35 -2.365 24.155 -0.893 1.00 14.20 H new ATOM 0 HA VAL A 35 -2.970 24.299 1.920 1.00 54.43 H new ATOM 0 HB VAL A 35 -0.731 25.608 2.270 1.00 4.23 H new ATOM 0 HG11 VAL A 35 0.391 23.556 3.035 1.00 63.23 H new ATOM 0 HG12 VAL A 35 -1.332 23.571 3.477 1.00 63.23 H new ATOM 0 HG13 VAL A 35 -0.773 22.579 2.110 1.00 63.23 H new ATOM 0 HG21 VAL A 35 1.165 24.701 0.987 1.00 41.21 H new ATOM 0 HG22 VAL A 35 0.032 23.772 -0.023 1.00 41.21 H new ATOM 0 HG23 VAL A 35 0.004 25.551 -0.060 1.00 41.21 H new ATOM 588 N THR A 36 -3.206 26.833 1.676 1.00 1.31 N ATOM 589 CA THR A 36 -3.631 28.201 1.406 1.00 72.34 C ATOM 590 C THR A 36 -2.467 29.175 1.540 1.00 41.42 C ATOM 591 O THR A 36 -1.487 28.896 2.231 1.00 12.43 O ATOM 592 CB THR A 36 -4.762 28.636 2.356 1.00 33.24 C ATOM 593 OG1 THR A 36 -4.362 28.437 3.717 1.00 50.41 O ATOM 594 CG2 THR A 36 -6.035 27.851 2.078 1.00 55.35 C ATOM 0 H THR A 36 -3.335 26.534 2.643 1.00 1.31 H new ATOM 0 HA THR A 36 -4.001 28.220 0.381 1.00 72.34 H new ATOM 0 HB THR A 36 -4.962 29.694 2.186 1.00 33.24 H new ATOM 0 HG1 THR A 36 -5.086 28.718 4.315 1.00 50.41 H new ATOM 0 HG21 THR A 36 -6.819 28.176 2.762 1.00 55.35 H new ATOM 0 HG22 THR A 36 -6.353 28.026 1.050 1.00 55.35 H new ATOM 0 HG23 THR A 36 -5.845 26.787 2.223 1.00 55.35 H new ATOM 602 N PHE A 37 -2.580 30.320 0.875 1.00 52.41 N ATOM 603 CA PHE A 37 -1.536 31.337 0.920 1.00 2.20 C ATOM 604 C PHE A 37 -1.161 31.668 2.362 1.00 42.04 C ATOM 605 O PHE A 37 0.018 31.725 2.711 1.00 55.13 O ATOM 606 CB PHE A 37 -1.997 32.605 0.197 1.00 21.44 C ATOM 607 CG PHE A 37 -1.172 33.816 0.526 1.00 30.03 C ATOM 608 CD1 PHE A 37 0.212 33.754 0.507 1.00 50.11 C ATOM 609 CD2 PHE A 37 -1.781 35.016 0.856 1.00 43.45 C ATOM 610 CE1 PHE A 37 0.974 34.867 0.809 1.00 41.13 C ATOM 611 CE2 PHE A 37 -1.024 36.133 1.158 1.00 61.43 C ATOM 612 CZ PHE A 37 0.355 36.058 1.136 1.00 62.45 C ATOM 0 H PHE A 37 -3.384 30.567 0.298 1.00 52.41 H new ATOM 0 HA PHE A 37 -0.655 30.940 0.416 1.00 2.20 H new ATOM 0 HB2 PHE A 37 -1.963 32.433 -0.879 1.00 21.44 H new ATOM 0 HB3 PHE A 37 -3.037 32.803 0.455 1.00 21.44 H new ATOM 0 HD1 PHE A 37 0.701 32.825 0.253 1.00 50.11 H new ATOM 0 HD2 PHE A 37 -2.859 35.080 0.878 1.00 43.45 H new ATOM 0 HE1 PHE A 37 2.052 34.806 0.789 1.00 41.13 H new ATOM 0 HE2 PHE A 37 -1.511 37.063 1.411 1.00 61.43 H new ATOM 0 HZ PHE A 37 0.948 36.929 1.374 1.00 62.45 H new ATOM 622 N GLY A 38 -2.173 31.886 3.195 1.00 14.13 N ATOM 623 CA GLY A 38 -1.930 32.209 4.589 1.00 15.31 C ATOM 624 C GLY A 38 -1.002 31.217 5.261 1.00 34.01 C ATOM 625 O GLY A 38 -0.056 31.607 5.944 1.00 14.42 O ATOM 0 H GLY A 38 -3.157 31.845 2.930 1.00 14.13 H new ATOM 0 HA2 GLY A 38 -1.500 33.208 4.657 1.00 15.31 H new ATOM 0 HA3 GLY A 38 -2.879 32.233 5.124 1.00 15.31 H new ATOM 629 N GLU A 39 -1.275 29.930 5.068 1.00 4.13 N ATOM 630 CA GLU A 39 -0.457 28.880 5.664 1.00 73.41 C ATOM 631 C GLU A 39 0.943 28.871 5.058 1.00 22.51 C ATOM 632 O GLU A 39 1.943 28.878 5.777 1.00 3.22 O ATOM 633 CB GLU A 39 -1.119 27.514 5.467 1.00 51.25 C ATOM 634 CG GLU A 39 -1.965 27.071 6.648 1.00 12.34 C ATOM 635 CD GLU A 39 -1.148 26.386 7.726 1.00 32.05 C ATOM 636 OE1 GLU A 39 -0.381 27.084 8.422 1.00 65.12 O ATOM 637 OE2 GLU A 39 -1.276 25.153 7.875 1.00 60.23 O ATOM 0 H GLU A 39 -2.055 29.590 4.505 1.00 4.13 H new ATOM 0 HA GLU A 39 -0.371 29.084 6.731 1.00 73.41 H new ATOM 0 HB2 GLU A 39 -1.745 27.548 4.575 1.00 51.25 H new ATOM 0 HB3 GLU A 39 -0.346 26.768 5.285 1.00 51.25 H new ATOM 0 HG2 GLU A 39 -2.469 27.938 7.075 1.00 12.34 H new ATOM 0 HG3 GLU A 39 -2.742 26.391 6.299 1.00 12.34 H new ATOM 644 N LEU A 40 1.007 28.854 3.731 1.00 22.53 N ATOM 645 CA LEU A 40 2.285 28.843 3.027 1.00 73.20 C ATOM 646 C LEU A 40 3.170 29.997 3.487 1.00 54.03 C ATOM 647 O LEU A 40 4.349 29.808 3.785 1.00 10.05 O ATOM 648 CB LEU A 40 2.058 28.930 1.517 1.00 75.53 C ATOM 649 CG LEU A 40 2.532 27.729 0.697 1.00 42.44 C ATOM 650 CD1 LEU A 40 2.222 27.935 -0.778 1.00 65.41 C ATOM 651 CD2 LEU A 40 4.022 27.498 0.903 1.00 31.34 C ATOM 0 H LEU A 40 0.189 28.848 3.121 1.00 22.53 H new ATOM 0 HA LEU A 40 2.792 27.906 3.259 1.00 73.20 H new ATOM 0 HB2 LEU A 40 0.992 29.069 1.337 1.00 75.53 H new ATOM 0 HB3 LEU A 40 2.563 29.821 1.144 1.00 75.53 H new ATOM 0 HG LEU A 40 1.996 26.844 1.040 1.00 42.44 H new ATOM 0 HD11 LEU A 40 2.566 27.071 -1.346 1.00 65.41 H new ATOM 0 HD12 LEU A 40 1.146 28.052 -0.911 1.00 65.41 H new ATOM 0 HD13 LEU A 40 2.731 28.830 -1.135 1.00 65.41 H new ATOM 0 HD21 LEU A 40 4.342 26.640 0.312 1.00 31.34 H new ATOM 0 HD22 LEU A 40 4.575 28.383 0.587 1.00 31.34 H new ATOM 0 HD23 LEU A 40 4.218 27.306 1.958 1.00 31.34 H new ATOM 663 N PHE A 41 2.592 31.193 3.543 1.00 21.50 N ATOM 664 CA PHE A 41 3.328 32.378 3.968 1.00 71.31 C ATOM 665 C PHE A 41 3.816 32.228 5.406 1.00 50.51 C ATOM 666 O PHE A 41 4.999 32.413 5.694 1.00 72.55 O ATOM 667 CB PHE A 41 2.447 33.623 3.843 1.00 62.31 C ATOM 668 CG PHE A 41 3.211 34.911 3.955 1.00 1.13 C ATOM 669 CD1 PHE A 41 3.802 35.481 2.839 1.00 21.01 C ATOM 670 CD2 PHE A 41 3.338 35.553 5.177 1.00 72.52 C ATOM 671 CE1 PHE A 41 4.506 36.666 2.940 1.00 22.10 C ATOM 672 CE2 PHE A 41 4.040 36.738 5.284 1.00 44.02 C ATOM 673 CZ PHE A 41 4.624 37.296 4.164 1.00 64.14 C ATOM 0 H PHE A 41 1.617 31.367 3.300 1.00 21.50 H new ATOM 0 HA PHE A 41 4.196 32.489 3.318 1.00 71.31 H new ATOM 0 HB2 PHE A 41 1.931 33.598 2.883 1.00 62.31 H new ATOM 0 HB3 PHE A 41 1.681 33.596 4.618 1.00 62.31 H new ATOM 0 HD1 PHE A 41 3.712 34.994 1.879 1.00 21.01 H new ATOM 0 HD2 PHE A 41 2.883 35.122 6.056 1.00 72.52 H new ATOM 0 HE1 PHE A 41 4.964 37.099 2.063 1.00 22.10 H new ATOM 0 HE2 PHE A 41 4.132 37.227 6.242 1.00 44.02 H new ATOM 0 HZ PHE A 41 5.172 38.223 4.245 1.00 64.14 H new ATOM 683 N ASP A 42 2.897 31.894 6.305 1.00 55.45 N ATOM 684 CA ASP A 42 3.232 31.720 7.713 1.00 71.31 C ATOM 685 C ASP A 42 4.295 30.640 7.888 1.00 5.24 C ATOM 686 O ASP A 42 4.950 30.563 8.928 1.00 0.12 O ATOM 687 CB ASP A 42 1.982 31.357 8.516 1.00 73.53 C ATOM 688 CG ASP A 42 1.430 32.536 9.292 1.00 34.33 C ATOM 689 OD1 ASP A 42 2.073 32.949 10.280 1.00 74.33 O ATOM 690 OD2 ASP A 42 0.354 33.045 8.913 1.00 11.02 O ATOM 0 H ASP A 42 1.914 31.738 6.083 1.00 55.45 H new ATOM 0 HA ASP A 42 3.632 32.663 8.085 1.00 71.31 H new ATOM 0 HB2 ASP A 42 1.215 30.980 7.839 1.00 73.53 H new ATOM 0 HB3 ASP A 42 2.220 30.550 9.208 1.00 73.53 H new ATOM 695 N ARG A 43 4.461 29.808 6.865 1.00 3.34 N ATOM 696 CA ARG A 43 5.444 28.732 6.908 1.00 74.25 C ATOM 697 C ARG A 43 6.766 29.178 6.289 1.00 34.55 C ATOM 698 O ARG A 43 7.839 28.772 6.736 1.00 61.14 O ATOM 699 CB ARG A 43 4.914 27.500 6.171 1.00 13.01 C ATOM 700 CG ARG A 43 5.988 26.475 5.848 1.00 61.40 C ATOM 701 CD ARG A 43 6.688 25.985 7.106 1.00 14.14 C ATOM 702 NE ARG A 43 7.835 25.136 6.800 1.00 63.25 N ATOM 703 CZ ARG A 43 8.761 24.801 7.691 1.00 4.42 C ATOM 704 NH1 ARG A 43 8.675 25.242 8.939 1.00 71.03 N ATOM 705 NH2 ARG A 43 9.777 24.024 7.336 1.00 55.33 N ATOM 0 H ARG A 43 3.928 29.858 5.997 1.00 3.34 H new ATOM 0 HA ARG A 43 5.620 28.475 7.953 1.00 74.25 H new ATOM 0 HB2 ARG A 43 4.143 27.027 6.779 1.00 13.01 H new ATOM 0 HB3 ARG A 43 4.437 27.819 5.244 1.00 13.01 H new ATOM 0 HG2 ARG A 43 5.540 25.629 5.327 1.00 61.40 H new ATOM 0 HG3 ARG A 43 6.720 26.915 5.171 1.00 61.40 H new ATOM 0 HD2 ARG A 43 7.018 26.842 7.694 1.00 14.14 H new ATOM 0 HD3 ARG A 43 5.980 25.430 7.721 1.00 14.14 H new ATOM 0 HE ARG A 43 7.931 24.780 5.849 1.00 63.25 H new ATOM 0 HH11 ARG A 43 7.896 25.840 9.216 1.00 71.03 H new ATOM 0 HH12 ARG A 43 9.387 24.983 9.622 1.00 71.03 H new ATOM 0 HH21 ARG A 43 9.848 23.683 6.377 1.00 55.33 H new ATOM 0 HH22 ARG A 43 10.487 23.768 8.022 1.00 55.33 H new ATOM 719 N TYR A 44 6.679 30.013 5.261 1.00 45.43 N ATOM 720 CA TYR A 44 7.868 30.512 4.579 1.00 23.14 C ATOM 721 C TYR A 44 8.520 31.639 5.375 1.00 71.20 C ATOM 722 O TYR A 44 9.726 31.865 5.280 1.00 24.53 O ATOM 723 CB TYR A 44 7.509 31.005 3.177 1.00 71.54 C ATOM 724 CG TYR A 44 8.029 30.115 2.070 1.00 21.55 C ATOM 725 CD1 TYR A 44 7.308 29.004 1.649 1.00 52.35 C ATOM 726 CD2 TYR A 44 9.242 30.383 1.448 1.00 32.01 C ATOM 727 CE1 TYR A 44 7.779 28.188 0.639 1.00 63.22 C ATOM 728 CE2 TYR A 44 9.720 29.573 0.437 1.00 63.13 C ATOM 729 CZ TYR A 44 8.986 28.477 0.036 1.00 73.53 C ATOM 730 OH TYR A 44 9.460 27.666 -0.971 1.00 13.34 O ATOM 0 H TYR A 44 5.798 30.359 4.881 1.00 45.43 H new ATOM 0 HA TYR A 44 8.580 29.690 4.497 1.00 23.14 H new ATOM 0 HB2 TYR A 44 6.425 31.079 3.093 1.00 71.54 H new ATOM 0 HB3 TYR A 44 7.908 32.010 3.041 1.00 71.54 H new ATOM 0 HD1 TYR A 44 6.363 28.775 2.120 1.00 52.35 H new ATOM 0 HD2 TYR A 44 9.821 31.239 1.761 1.00 32.01 H new ATOM 0 HE1 TYR A 44 7.206 27.329 0.323 1.00 63.22 H new ATOM 0 HE2 TYR A 44 10.664 29.797 -0.037 1.00 63.13 H new ATOM 0 HH TYR A 44 10.321 28.009 -1.289 1.00 13.34 H new ATOM 740 N VAL A 45 7.712 32.344 6.160 1.00 33.24 N ATOM 741 CA VAL A 45 8.208 33.447 6.975 1.00 71.31 C ATOM 742 C VAL A 45 9.333 32.987 7.895 1.00 2.32 C ATOM 743 O VAL A 45 10.205 33.773 8.266 1.00 4.01 O ATOM 744 CB VAL A 45 7.084 34.066 7.826 1.00 34.23 C ATOM 745 CG1 VAL A 45 6.042 34.726 6.936 1.00 14.15 C ATOM 746 CG2 VAL A 45 6.445 33.009 8.715 1.00 62.21 C ATOM 0 H VAL A 45 6.711 32.171 6.249 1.00 33.24 H new ATOM 0 HA VAL A 45 8.590 34.202 6.288 1.00 71.31 H new ATOM 0 HB VAL A 45 7.518 34.833 8.467 1.00 34.23 H new ATOM 0 HG11 VAL A 45 5.256 35.158 7.555 1.00 14.15 H new ATOM 0 HG12 VAL A 45 6.513 35.513 6.346 1.00 14.15 H new ATOM 0 HG13 VAL A 45 5.610 33.981 6.268 1.00 14.15 H new ATOM 0 HG21 VAL A 45 5.653 33.464 9.309 1.00 62.21 H new ATOM 0 HG22 VAL A 45 6.024 32.218 8.095 1.00 62.21 H new ATOM 0 HG23 VAL A 45 7.200 32.587 9.379 1.00 62.21 H new ATOM 756 N ARG A 46 9.307 31.710 8.260 1.00 65.41 N ATOM 757 CA ARG A 46 10.325 31.145 9.138 1.00 43.01 C ATOM 758 C ARG A 46 11.495 30.592 8.329 1.00 41.20 C ATOM 759 O ARG A 46 12.361 29.900 8.865 1.00 32.31 O ATOM 760 CB ARG A 46 9.724 30.039 10.006 1.00 34.41 C ATOM 761 CG ARG A 46 9.867 30.290 11.498 1.00 31.53 C ATOM 762 CD ARG A 46 9.122 29.243 12.313 1.00 4.52 C ATOM 763 NE ARG A 46 7.675 29.428 12.249 1.00 61.32 N ATOM 764 CZ ARG A 46 6.802 28.581 12.784 1.00 50.44 C ATOM 765 NH1 ARG A 46 7.227 27.499 13.420 1.00 65.45 N ATOM 766 NH2 ARG A 46 5.500 28.818 12.683 1.00 22.24 N ATOM 0 H ARG A 46 8.592 31.047 7.962 1.00 65.41 H new ATOM 0 HA ARG A 46 10.696 31.942 9.782 1.00 43.01 H new ATOM 0 HB2 ARG A 46 8.667 29.933 9.764 1.00 34.41 H new ATOM 0 HB3 ARG A 46 10.204 29.093 9.758 1.00 34.41 H new ATOM 0 HG2 ARG A 46 10.922 30.281 11.770 1.00 31.53 H new ATOM 0 HG3 ARG A 46 9.484 31.281 11.740 1.00 31.53 H new ATOM 0 HD2 ARG A 46 9.377 28.249 11.946 1.00 4.52 H new ATOM 0 HD3 ARG A 46 9.448 29.293 13.352 1.00 4.52 H new ATOM 0 HE ARG A 46 7.315 30.252 11.768 1.00 61.32 H new ATOM 0 HH11 ARG A 46 8.227 27.314 13.500 1.00 65.45 H new ATOM 0 HH12 ARG A 46 6.554 26.851 13.830 1.00 65.45 H new ATOM 0 HH21 ARG A 46 5.170 29.650 12.195 1.00 22.24 H new ATOM 0 HH22 ARG A 46 4.830 28.168 13.094 1.00 22.24 H new ATOM 780 N ILE A 47 11.513 30.902 7.037 1.00 3.31 N ATOM 781 CA ILE A 47 12.577 30.437 6.155 1.00 35.02 C ATOM 782 C ILE A 47 13.129 31.580 5.310 1.00 61.51 C ATOM 783 O ILE A 47 14.252 32.037 5.524 1.00 72.24 O ATOM 784 CB ILE A 47 12.084 29.315 5.222 1.00 14.04 C ATOM 785 CG1 ILE A 47 11.576 28.127 6.042 1.00 64.41 C ATOM 786 CG2 ILE A 47 13.198 28.880 4.282 1.00 11.12 C ATOM 787 CD1 ILE A 47 10.903 27.060 5.207 1.00 40.22 C ATOM 0 H ILE A 47 10.803 31.473 6.578 1.00 3.31 H new ATOM 0 HA ILE A 47 13.369 30.046 6.794 1.00 35.02 H new ATOM 0 HB ILE A 47 11.258 29.698 4.622 1.00 14.04 H new ATOM 0 HG12 ILE A 47 12.414 27.682 6.579 1.00 64.41 H new ATOM 0 HG13 ILE A 47 10.872 28.488 6.792 1.00 64.41 H new ATOM 0 HG21 ILE A 47 12.834 28.087 3.629 1.00 11.12 H new ATOM 0 HG22 ILE A 47 13.517 29.729 3.678 1.00 11.12 H new ATOM 0 HG23 ILE A 47 14.043 28.512 4.864 1.00 11.12 H new ATOM 0 HD11 ILE A 47 10.568 26.249 5.854 1.00 40.22 H new ATOM 0 HD12 ILE A 47 10.045 27.490 4.690 1.00 40.22 H new ATOM 0 HD13 ILE A 47 11.610 26.671 4.474 1.00 40.22 H new ATOM 799 N SER A 48 12.332 32.038 4.350 1.00 33.41 N ATOM 800 CA SER A 48 12.741 33.126 3.471 1.00 45.14 C ATOM 801 C SER A 48 11.696 34.237 3.458 1.00 10.21 C ATOM 802 O SER A 48 12.029 35.417 3.340 1.00 31.41 O ATOM 803 CB SER A 48 12.966 32.605 2.050 1.00 54.23 C ATOM 804 OG SER A 48 13.661 31.370 2.063 1.00 12.40 O ATOM 0 H SER A 48 11.399 31.672 4.161 1.00 33.41 H new ATOM 0 HA SER A 48 13.676 33.536 3.853 1.00 45.14 H new ATOM 0 HB2 SER A 48 12.006 32.480 1.549 1.00 54.23 H new ATOM 0 HB3 SER A 48 13.532 33.338 1.476 1.00 54.23 H new ATOM 0 HG SER A 48 13.791 31.058 1.143 1.00 12.40 H new ATOM 810 N ASP A 49 10.431 33.852 3.580 1.00 33.54 N ATOM 811 CA ASP A 49 9.335 34.814 3.584 1.00 30.24 C ATOM 812 C ASP A 49 9.163 35.447 2.207 1.00 33.21 C ATOM 813 O ASP A 49 9.398 36.642 2.027 1.00 63.20 O ATOM 814 CB ASP A 49 9.586 35.900 4.631 1.00 41.50 C ATOM 815 CG ASP A 49 8.301 36.529 5.133 1.00 71.02 C ATOM 816 OD1 ASP A 49 7.218 36.109 4.676 1.00 74.31 O ATOM 817 OD2 ASP A 49 8.379 37.442 5.982 1.00 75.22 O ATOM 0 H ASP A 49 10.139 32.880 3.678 1.00 33.54 H new ATOM 0 HA ASP A 49 8.418 34.282 3.836 1.00 30.24 H new ATOM 0 HB2 ASP A 49 10.130 35.470 5.472 1.00 41.50 H new ATOM 0 HB3 ASP A 49 10.222 36.674 4.202 1.00 41.50 H new ATOM 822 N LYS A 50 8.751 34.638 1.237 1.00 21.50 N ATOM 823 CA LYS A 50 8.547 35.117 -0.125 1.00 33.12 C ATOM 824 C LYS A 50 7.954 34.021 -1.004 1.00 71.42 C ATOM 825 O LYS A 50 8.265 33.927 -2.192 1.00 10.33 O ATOM 826 CB LYS A 50 9.870 35.603 -0.720 1.00 51.32 C ATOM 827 CG LYS A 50 10.855 34.484 -1.009 1.00 20.12 C ATOM 828 CD LYS A 50 12.154 34.674 -0.244 1.00 63.52 C ATOM 829 CE LYS A 50 12.949 35.854 -0.780 1.00 43.22 C ATOM 830 NZ LYS A 50 14.290 35.440 -1.278 1.00 61.14 N ATOM 0 H LYS A 50 8.552 33.646 1.369 1.00 21.50 H new ATOM 0 HA LYS A 50 7.844 35.949 -0.089 1.00 33.12 H new ATOM 0 HB2 LYS A 50 9.666 36.144 -1.644 1.00 51.32 H new ATOM 0 HB3 LYS A 50 10.330 36.311 -0.031 1.00 51.32 H new ATOM 0 HG2 LYS A 50 10.409 33.527 -0.739 1.00 20.12 H new ATOM 0 HG3 LYS A 50 11.063 34.448 -2.078 1.00 20.12 H new ATOM 0 HD2 LYS A 50 11.936 34.831 0.812 1.00 63.52 H new ATOM 0 HD3 LYS A 50 12.755 33.767 -0.314 1.00 63.52 H new ATOM 0 HE2 LYS A 50 12.393 36.330 -1.588 1.00 43.22 H new ATOM 0 HE3 LYS A 50 13.068 36.599 0.007 1.00 43.22 H new ATOM 0 HZ1 LYS A 50 14.800 36.273 -1.635 1.00 61.14 H new ATOM 0 HZ2 LYS A 50 14.831 35.009 -0.501 1.00 61.14 H new ATOM 0 HZ3 LYS A 50 14.177 34.748 -2.046 1.00 61.14 H new ATOM 844 N VAL A 51 7.097 33.193 -0.414 1.00 41.20 N ATOM 845 CA VAL A 51 6.459 32.105 -1.145 1.00 34.13 C ATOM 846 C VAL A 51 5.757 32.621 -2.396 1.00 34.42 C ATOM 847 O VAL A 51 5.883 32.041 -3.475 1.00 15.41 O ATOM 848 CB VAL A 51 5.436 31.362 -0.265 1.00 13.24 C ATOM 849 CG1 VAL A 51 4.439 32.341 0.338 1.00 62.22 C ATOM 850 CG2 VAL A 51 4.720 30.288 -1.070 1.00 45.45 C ATOM 0 H VAL A 51 6.829 33.255 0.568 1.00 41.20 H new ATOM 0 HA VAL A 51 7.249 31.412 -1.435 1.00 34.13 H new ATOM 0 HB VAL A 51 5.971 30.876 0.551 1.00 13.24 H new ATOM 0 HG11 VAL A 51 3.724 31.798 0.956 1.00 62.22 H new ATOM 0 HG12 VAL A 51 4.970 33.069 0.951 1.00 62.22 H new ATOM 0 HG13 VAL A 51 3.908 32.858 -0.461 1.00 62.22 H new ATOM 0 HG21 VAL A 51 4.001 29.774 -0.432 1.00 45.45 H new ATOM 0 HG22 VAL A 51 4.197 30.749 -1.908 1.00 45.45 H new ATOM 0 HG23 VAL A 51 5.448 29.570 -1.448 1.00 45.45 H new ATOM 860 N VAL A 52 5.016 33.714 -2.244 1.00 44.32 N ATOM 861 CA VAL A 52 4.295 34.310 -3.362 1.00 52.13 C ATOM 862 C VAL A 52 5.232 34.600 -4.529 1.00 71.34 C ATOM 863 O VAL A 52 4.851 34.469 -5.692 1.00 24.41 O ATOM 864 CB VAL A 52 3.593 35.616 -2.945 1.00 41.32 C ATOM 865 CG1 VAL A 52 3.041 36.339 -4.165 1.00 31.25 C ATOM 866 CG2 VAL A 52 2.488 35.330 -1.939 1.00 65.55 C ATOM 0 H VAL A 52 4.899 34.205 -1.357 1.00 44.32 H new ATOM 0 HA VAL A 52 3.543 33.586 -3.675 1.00 52.13 H new ATOM 0 HB VAL A 52 4.327 36.266 -2.468 1.00 41.32 H new ATOM 0 HG11 VAL A 52 2.549 37.259 -3.851 1.00 31.25 H new ATOM 0 HG12 VAL A 52 3.857 36.579 -4.846 1.00 31.25 H new ATOM 0 HG13 VAL A 52 2.321 35.698 -4.673 1.00 31.25 H new ATOM 0 HG21 VAL A 52 2.003 36.264 -1.656 1.00 65.55 H new ATOM 0 HG22 VAL A 52 1.753 34.661 -2.386 1.00 65.55 H new ATOM 0 HG23 VAL A 52 2.915 34.860 -1.053 1.00 65.55 H new ATOM 876 N GLY A 53 6.461 34.994 -4.211 1.00 0.23 N ATOM 877 CA GLY A 53 7.434 35.296 -5.244 1.00 5.11 C ATOM 878 C GLY A 53 7.918 34.054 -5.965 1.00 62.14 C ATOM 879 O GLY A 53 8.241 34.104 -7.153 1.00 22.04 O ATOM 0 H GLY A 53 6.800 35.109 -3.256 1.00 0.23 H new ATOM 0 HA2 GLY A 53 6.992 35.982 -5.966 1.00 5.11 H new ATOM 0 HA3 GLY A 53 8.286 35.809 -4.798 1.00 5.11 H new ATOM 883 N ILE A 54 7.970 32.937 -5.247 1.00 51.05 N ATOM 884 CA ILE A 54 8.418 31.677 -5.827 1.00 45.11 C ATOM 885 C ILE A 54 7.331 31.053 -6.695 1.00 41.44 C ATOM 886 O ILE A 54 7.619 30.438 -7.723 1.00 54.32 O ATOM 887 CB ILE A 54 8.829 30.670 -4.736 1.00 41.23 C ATOM 888 CG1 ILE A 54 9.937 31.258 -3.860 1.00 15.45 C ATOM 889 CG2 ILE A 54 9.284 29.362 -5.367 1.00 14.42 C ATOM 890 CD1 ILE A 54 9.720 31.032 -2.380 1.00 30.13 C ATOM 0 H ILE A 54 7.708 32.879 -4.263 1.00 51.05 H new ATOM 0 HA ILE A 54 9.286 31.906 -6.445 1.00 45.11 H new ATOM 0 HB ILE A 54 7.963 30.466 -4.106 1.00 41.23 H new ATOM 0 HG12 ILE A 54 10.891 30.818 -4.151 1.00 15.45 H new ATOM 0 HG13 ILE A 54 10.009 32.329 -4.049 1.00 15.45 H new ATOM 0 HG21 ILE A 54 9.571 28.661 -4.584 1.00 14.42 H new ATOM 0 HG22 ILE A 54 8.469 28.938 -5.953 1.00 14.42 H new ATOM 0 HG23 ILE A 54 10.139 29.550 -6.017 1.00 14.42 H new ATOM 0 HD11 ILE A 54 10.543 31.475 -1.820 1.00 30.13 H new ATOM 0 HD12 ILE A 54 8.782 31.496 -2.075 1.00 30.13 H new ATOM 0 HD13 ILE A 54 9.678 29.962 -2.178 1.00 30.13 H new ATOM 902 N LEU A 55 6.081 31.217 -6.277 1.00 1.41 N ATOM 903 CA LEU A 55 4.949 30.672 -7.017 1.00 54.24 C ATOM 904 C LEU A 55 5.001 31.095 -8.482 1.00 63.11 C ATOM 905 O LEU A 55 4.624 30.333 -9.372 1.00 2.10 O ATOM 906 CB LEU A 55 3.633 31.134 -6.389 1.00 12.04 C ATOM 907 CG LEU A 55 3.334 30.598 -4.988 1.00 73.11 C ATOM 908 CD1 LEU A 55 1.937 31.006 -4.547 1.00 54.34 C ATOM 909 CD2 LEU A 55 3.485 29.084 -4.953 1.00 52.11 C ATOM 0 H LEU A 55 5.826 31.723 -5.429 1.00 1.41 H new ATOM 0 HA LEU A 55 5.006 29.585 -6.969 1.00 54.24 H new ATOM 0 HB2 LEU A 55 3.636 32.223 -6.347 1.00 12.04 H new ATOM 0 HB3 LEU A 55 2.816 30.843 -7.050 1.00 12.04 H new ATOM 0 HG LEU A 55 4.053 31.031 -4.293 1.00 73.11 H new ATOM 0 HD11 LEU A 55 1.742 30.616 -3.548 1.00 54.34 H new ATOM 0 HD12 LEU A 55 1.863 32.093 -4.532 1.00 54.34 H new ATOM 0 HD13 LEU A 55 1.203 30.602 -5.244 1.00 54.34 H new ATOM 0 HD21 LEU A 55 3.269 28.720 -3.949 1.00 52.11 H new ATOM 0 HD22 LEU A 55 2.789 28.633 -5.660 1.00 52.11 H new ATOM 0 HD23 LEU A 55 4.505 28.814 -5.225 1.00 52.11 H new ATOM 921 N MET A 56 5.474 32.313 -8.724 1.00 54.33 N ATOM 922 CA MET A 56 5.579 32.836 -10.082 1.00 30.32 C ATOM 923 C MET A 56 6.392 31.894 -10.965 1.00 12.41 C ATOM 924 O MET A 56 6.190 31.838 -12.178 1.00 62.21 O ATOM 925 CB MET A 56 6.222 34.224 -10.068 1.00 61.24 C ATOM 926 CG MET A 56 5.313 35.310 -9.517 1.00 34.33 C ATOM 927 SD MET A 56 5.527 36.889 -10.359 1.00 51.41 S ATOM 928 CE MET A 56 5.459 38.023 -8.974 1.00 54.54 C ATOM 0 H MET A 56 5.791 32.956 -7.998 1.00 54.33 H new ATOM 0 HA MET A 56 4.573 32.914 -10.494 1.00 30.32 H new ATOM 0 HB2 MET A 56 7.133 34.187 -9.471 1.00 61.24 H new ATOM 0 HB3 MET A 56 6.517 34.489 -11.083 1.00 61.24 H new ATOM 0 HG2 MET A 56 4.275 34.991 -9.610 1.00 34.33 H new ATOM 0 HG3 MET A 56 5.512 35.440 -8.453 1.00 34.33 H new ATOM 0 HE1 MET A 56 5.577 39.045 -9.334 1.00 54.54 H new ATOM 0 HE2 MET A 56 4.498 37.925 -8.470 1.00 54.54 H new ATOM 0 HE3 MET A 56 6.261 37.790 -8.274 1.00 54.54 H new ATOM 938 N ARG A 57 7.311 31.158 -10.349 1.00 35.12 N ATOM 939 CA ARG A 57 8.154 30.220 -11.080 1.00 5.42 C ATOM 940 C ARG A 57 7.400 28.928 -11.378 1.00 53.34 C ATOM 941 O ARG A 57 7.365 28.468 -12.519 1.00 73.21 O ATOM 942 CB ARG A 57 9.421 29.911 -10.280 1.00 20.52 C ATOM 943 CG ARG A 57 10.289 28.831 -10.907 1.00 14.43 C ATOM 944 CD ARG A 57 10.471 27.648 -9.969 1.00 12.42 C ATOM 945 NE ARG A 57 11.375 26.645 -10.523 1.00 61.52 N ATOM 946 CZ ARG A 57 12.686 26.821 -10.640 1.00 44.21 C ATOM 947 NH1 ARG A 57 13.244 27.957 -10.243 1.00 33.22 N ATOM 948 NH2 ARG A 57 13.443 25.861 -11.155 1.00 23.53 N ATOM 0 H ARG A 57 7.491 31.193 -9.346 1.00 35.12 H new ATOM 0 HA ARG A 57 8.433 30.683 -12.026 1.00 5.42 H new ATOM 0 HB2 ARG A 57 10.008 30.824 -10.178 1.00 20.52 H new ATOM 0 HB3 ARG A 57 9.139 29.600 -9.274 1.00 20.52 H new ATOM 0 HG2 ARG A 57 9.834 28.492 -11.838 1.00 14.43 H new ATOM 0 HG3 ARG A 57 11.263 29.248 -11.162 1.00 14.43 H new ATOM 0 HD2 ARG A 57 10.861 27.999 -9.014 1.00 12.42 H new ATOM 0 HD3 ARG A 57 9.502 27.191 -9.769 1.00 12.42 H new ATOM 0 HE ARG A 57 10.978 25.760 -10.838 1.00 61.52 H new ATOM 0 HH11 ARG A 57 12.666 28.698 -9.847 1.00 33.22 H new ATOM 0 HH12 ARG A 57 14.251 28.090 -10.334 1.00 33.22 H new ATOM 0 HH21 ARG A 57 13.018 24.986 -11.462 1.00 23.53 H new ATOM 0 HH22 ARG A 57 14.450 25.998 -11.244 1.00 23.53 H new ATOM 962 N ALA A 58 6.798 28.349 -10.345 1.00 73.52 N ATOM 963 CA ALA A 58 6.043 27.111 -10.497 1.00 74.00 C ATOM 964 C ALA A 58 4.878 27.294 -11.464 1.00 34.23 C ATOM 965 O ALA A 58 4.495 26.363 -12.173 1.00 23.11 O ATOM 966 CB ALA A 58 5.538 26.631 -9.144 1.00 42.21 C ATOM 0 H ALA A 58 6.818 28.717 -9.394 1.00 73.52 H new ATOM 0 HA ALA A 58 6.711 26.356 -10.912 1.00 74.00 H new ATOM 0 HB1 ALA A 58 4.976 25.706 -9.273 1.00 42.21 H new ATOM 0 HB2 ALA A 58 6.385 26.452 -8.482 1.00 42.21 H new ATOM 0 HB3 ALA A 58 4.890 27.391 -8.707 1.00 42.21 H new ATOM 972 N ARG A 59 4.317 28.498 -11.486 1.00 52.42 N ATOM 973 CA ARG A 59 3.194 28.802 -12.365 1.00 14.13 C ATOM 974 C ARG A 59 3.614 28.727 -13.830 1.00 34.22 C ATOM 975 O ARG A 59 2.798 28.444 -14.707 1.00 74.33 O ATOM 976 CB ARG A 59 2.637 30.192 -12.054 1.00 14.44 C ATOM 977 CG ARG A 59 1.263 30.447 -12.654 1.00 25.33 C ATOM 978 CD ARG A 59 1.040 31.926 -12.928 1.00 24.24 C ATOM 979 NE ARG A 59 0.880 32.200 -14.353 1.00 11.41 N ATOM 980 CZ ARG A 59 -0.260 32.023 -15.012 1.00 23.51 C ATOM 981 NH1 ARG A 59 -1.333 31.573 -14.377 1.00 13.01 N ATOM 982 NH2 ARG A 59 -0.327 32.295 -16.309 1.00 10.02 N ATOM 0 H ARG A 59 4.622 29.279 -10.905 1.00 52.42 H new ATOM 0 HA ARG A 59 2.416 28.059 -12.189 1.00 14.13 H new ATOM 0 HB2 ARG A 59 2.581 30.318 -10.973 1.00 14.44 H new ATOM 0 HB3 ARG A 59 3.332 30.944 -12.427 1.00 14.44 H new ATOM 0 HG2 ARG A 59 1.160 29.884 -13.582 1.00 25.33 H new ATOM 0 HG3 ARG A 59 0.494 30.082 -11.973 1.00 25.33 H new ATOM 0 HD2 ARG A 59 0.153 32.264 -12.392 1.00 24.24 H new ATOM 0 HD3 ARG A 59 1.884 32.498 -12.541 1.00 24.24 H new ATOM 0 HE ARG A 59 1.688 32.546 -14.871 1.00 11.41 H new ATOM 0 HH11 ARG A 59 -1.285 31.362 -13.380 1.00 13.01 H new ATOM 0 HH12 ARG A 59 -2.207 31.438 -14.885 1.00 13.01 H new ATOM 0 HH21 ARG A 59 0.497 32.640 -16.801 1.00 10.02 H new ATOM 0 HH22 ARG A 59 -1.203 32.159 -16.814 1.00 10.02 H new ATOM 996 N LYS A 60 4.892 28.983 -14.087 1.00 73.53 N ATOM 997 CA LYS A 60 5.422 28.943 -15.445 1.00 51.41 C ATOM 998 C LYS A 60 5.066 27.628 -16.131 1.00 13.25 C ATOM 999 O LYS A 60 4.845 27.587 -17.341 1.00 43.44 O ATOM 1000 CB LYS A 60 6.941 29.126 -15.427 1.00 1.31 C ATOM 1001 CG LYS A 60 7.385 30.472 -14.880 1.00 43.03 C ATOM 1002 CD LYS A 60 7.580 31.489 -15.992 1.00 63.25 C ATOM 1003 CE LYS A 60 6.640 32.674 -15.836 1.00 33.23 C ATOM 1004 NZ LYS A 60 6.426 33.387 -17.125 1.00 71.35 N ATOM 0 H LYS A 60 5.580 29.220 -13.373 1.00 73.53 H new ATOM 0 HA LYS A 60 4.970 29.759 -16.008 1.00 51.41 H new ATOM 0 HB2 LYS A 60 7.387 28.334 -14.826 1.00 1.31 H new ATOM 0 HB3 LYS A 60 7.325 29.011 -16.441 1.00 1.31 H new ATOM 0 HG2 LYS A 60 6.642 30.842 -14.174 1.00 43.03 H new ATOM 0 HG3 LYS A 60 8.317 30.352 -14.328 1.00 43.03 H new ATOM 0 HD2 LYS A 60 8.612 31.839 -15.989 1.00 63.25 H new ATOM 0 HD3 LYS A 60 7.408 31.012 -16.957 1.00 63.25 H new ATOM 0 HE2 LYS A 60 5.681 32.328 -15.449 1.00 33.23 H new ATOM 0 HE3 LYS A 60 7.049 33.367 -15.101 1.00 33.23 H new ATOM 0 HZ1 LYS A 60 5.780 34.188 -16.976 1.00 71.35 H new ATOM 0 HZ2 LYS A 60 7.337 33.739 -17.482 1.00 71.35 H new ATOM 0 HZ3 LYS A 60 6.012 32.733 -17.819 1.00 71.35 H new ATOM 1018 N HIS A 61 5.010 26.555 -15.349 1.00 33.44 N ATOM 1019 CA HIS A 61 4.678 25.238 -15.881 1.00 31.33 C ATOM 1020 C HIS A 61 3.344 24.747 -15.325 1.00 5.35 C ATOM 1021 O HIS A 61 3.141 23.548 -15.141 1.00 13.04 O ATOM 1022 CB HIS A 61 5.783 24.236 -15.546 1.00 21.35 C ATOM 1023 CG HIS A 61 7.159 24.733 -15.863 1.00 44.55 C ATOM 1024 ND1 HIS A 61 7.414 25.664 -16.848 1.00 43.25 N ATOM 1025 CD2 HIS A 61 8.360 24.426 -15.319 1.00 32.11 C ATOM 1026 CE1 HIS A 61 8.712 25.906 -16.897 1.00 40.32 C ATOM 1027 NE2 HIS A 61 9.308 25.168 -15.979 1.00 24.22 N ATOM 0 H HIS A 61 5.190 26.571 -14.345 1.00 33.44 H new ATOM 0 HA HIS A 61 4.591 25.323 -16.964 1.00 31.33 H new ATOM 0 HB2 HIS A 61 5.730 23.990 -14.485 1.00 21.35 H new ATOM 0 HB3 HIS A 61 5.604 23.312 -16.096 1.00 21.35 H new ATOM 0 HD2 HIS A 61 8.539 23.727 -14.515 1.00 32.11 H new ATOM 0 HE1 HIS A 61 9.202 26.591 -17.573 1.00 40.32 H new ATOM 0 HE2 HIS A 61 10.310 25.152 -15.791 1.00 24.22 H new ATOM 1035 N GLY A 62 2.439 25.684 -15.058 1.00 3.02 N ATOM 1036 CA GLY A 62 1.138 25.327 -14.524 1.00 54.24 C ATOM 1037 C GLY A 62 1.236 24.438 -13.301 1.00 23.20 C ATOM 1038 O GLY A 62 0.844 23.271 -13.339 1.00 61.22 O ATOM 0 H GLY A 62 2.584 26.683 -15.202 1.00 3.02 H new ATOM 0 HA2 GLY A 62 0.593 26.235 -14.266 1.00 54.24 H new ATOM 0 HA3 GLY A 62 0.560 24.817 -15.295 1.00 54.24 H new ATOM 1042 N LEU A 63 1.763 24.988 -12.213 1.00 13.14 N ATOM 1043 CA LEU A 63 1.914 24.236 -10.972 1.00 13.14 C ATOM 1044 C LEU A 63 0.990 24.783 -9.888 1.00 20.32 C ATOM 1045 O LEU A 63 0.569 24.053 -8.990 1.00 3.21 O ATOM 1046 CB LEU A 63 3.366 24.288 -10.494 1.00 50.30 C ATOM 1047 CG LEU A 63 3.690 23.473 -9.241 1.00 43.55 C ATOM 1048 CD1 LEU A 63 3.280 24.233 -7.989 1.00 71.15 C ATOM 1049 CD2 LEU A 63 3.002 22.117 -9.294 1.00 41.35 C ATOM 0 H LEU A 63 2.093 25.952 -12.165 1.00 13.14 H new ATOM 0 HA LEU A 63 1.640 23.200 -11.169 1.00 13.14 H new ATOM 0 HB2 LEU A 63 4.007 23.941 -11.305 1.00 50.30 H new ATOM 0 HB3 LEU A 63 3.628 25.329 -10.304 1.00 50.30 H new ATOM 0 HG LEU A 63 4.767 23.310 -9.205 1.00 43.55 H new ATOM 0 HD11 LEU A 63 3.518 23.638 -7.108 1.00 71.15 H new ATOM 0 HD12 LEU A 63 3.820 25.179 -7.945 1.00 71.15 H new ATOM 0 HD13 LEU A 63 2.208 24.428 -8.016 1.00 71.15 H new ATOM 0 HD21 LEU A 63 3.244 21.551 -8.394 1.00 41.35 H new ATOM 0 HD22 LEU A 63 1.923 22.259 -9.354 1.00 41.35 H new ATOM 0 HD23 LEU A 63 3.346 21.569 -10.171 1.00 41.35 H new ATOM 1061 N VAL A 64 0.676 26.071 -9.979 1.00 44.33 N ATOM 1062 CA VAL A 64 -0.200 26.715 -9.009 1.00 14.53 C ATOM 1063 C VAL A 64 -1.514 27.144 -9.654 1.00 24.11 C ATOM 1064 O VAL A 64 -1.524 27.919 -10.611 1.00 1.34 O ATOM 1065 CB VAL A 64 0.473 27.947 -8.374 1.00 61.15 C ATOM 1066 CG1 VAL A 64 1.561 27.519 -7.402 1.00 22.24 C ATOM 1067 CG2 VAL A 64 1.039 28.859 -9.453 1.00 21.42 C ATOM 0 H VAL A 64 1.016 26.689 -10.716 1.00 44.33 H new ATOM 0 HA VAL A 64 -0.403 25.980 -8.230 1.00 14.53 H new ATOM 0 HB VAL A 64 -0.280 28.504 -7.817 1.00 61.15 H new ATOM 0 HG11 VAL A 64 2.025 28.402 -6.963 1.00 22.24 H new ATOM 0 HG12 VAL A 64 1.124 26.909 -6.612 1.00 22.24 H new ATOM 0 HG13 VAL A 64 2.316 26.939 -7.933 1.00 22.24 H new ATOM 0 HG21 VAL A 64 1.511 29.724 -8.987 1.00 21.42 H new ATOM 0 HG22 VAL A 64 1.779 28.314 -10.039 1.00 21.42 H new ATOM 0 HG23 VAL A 64 0.233 29.193 -10.107 1.00 21.42 H new ATOM 1077 N HIS A 65 -2.621 26.634 -9.124 1.00 0.42 N ATOM 1078 CA HIS A 65 -3.942 26.965 -9.647 1.00 45.34 C ATOM 1079 C HIS A 65 -4.493 28.220 -8.978 1.00 3.54 C ATOM 1080 O HIS A 65 -5.652 28.584 -9.175 1.00 35.50 O ATOM 1081 CB HIS A 65 -4.904 25.796 -9.437 1.00 54.33 C ATOM 1082 CG HIS A 65 -5.786 25.527 -10.618 1.00 24.52 C ATOM 1083 ND1 HIS A 65 -5.549 25.646 -11.945 1.00 32.43 N flip ATOM 1084 CD2 HIS A 65 -7.084 25.078 -10.501 1.00 41.41 C flip ATOM 1085 CE1 HIS A 65 -6.696 25.270 -12.599 1.00 14.41 C flip ATOM 1086 NE2 HIS A 65 -7.607 24.931 -11.705 1.00 53.41 N flip ATOM 0 H HIS A 65 -2.630 25.990 -8.333 1.00 0.42 H new ATOM 0 HA HIS A 65 -3.845 27.158 -10.715 1.00 45.34 H new ATOM 0 HB2 HIS A 65 -4.328 24.898 -9.212 1.00 54.33 H new ATOM 0 HB3 HIS A 65 -5.528 26.001 -8.567 1.00 54.33 H new ATOM 0 HD2 HIS A 65 -7.594 24.878 -9.570 1.00 41.41 H new ATOM 0 HE1 HIS A 65 -6.831 25.254 -13.670 1.00 14.41 H new ATOM 0 HE2 HIS A 65 -8.553 24.610 -11.909 1.00 53.41 H new ATOM 1094 N PHE A 66 -3.654 28.879 -8.184 1.00 71.23 N ATOM 1095 CA PHE A 66 -4.058 30.092 -7.484 1.00 1.32 C ATOM 1096 C PHE A 66 -4.613 31.125 -8.461 1.00 5.25 C ATOM 1097 O PHE A 66 -4.369 31.049 -9.664 1.00 41.02 O ATOM 1098 CB PHE A 66 -2.872 30.683 -6.718 1.00 52.11 C ATOM 1099 CG PHE A 66 -1.944 31.490 -7.580 1.00 51.31 C ATOM 1100 CD1 PHE A 66 -1.356 30.929 -8.702 1.00 43.30 C ATOM 1101 CD2 PHE A 66 -1.660 32.810 -7.268 1.00 43.00 C ATOM 1102 CE1 PHE A 66 -0.501 31.669 -9.498 1.00 15.53 C ATOM 1103 CE2 PHE A 66 -0.807 33.555 -8.060 1.00 43.11 C ATOM 1104 CZ PHE A 66 -0.226 32.984 -9.176 1.00 21.15 C ATOM 0 H PHE A 66 -2.691 28.593 -8.010 1.00 71.23 H new ATOM 0 HA PHE A 66 -4.844 29.829 -6.776 1.00 1.32 H new ATOM 0 HB2 PHE A 66 -3.248 31.314 -5.913 1.00 52.11 H new ATOM 0 HB3 PHE A 66 -2.310 29.873 -6.252 1.00 52.11 H new ATOM 0 HD1 PHE A 66 -1.568 29.901 -8.958 1.00 43.30 H new ATOM 0 HD2 PHE A 66 -2.110 33.262 -6.396 1.00 43.00 H new ATOM 0 HE1 PHE A 66 -0.049 31.220 -10.370 1.00 15.53 H new ATOM 0 HE2 PHE A 66 -0.595 34.583 -7.807 1.00 43.11 H new ATOM 0 HZ PHE A 66 0.442 33.564 -9.795 1.00 21.15 H new ATOM 1168 N LEU A 71 -0.413 37.303 -4.185 1.00 33.10 N ATOM 1169 CA LEU A 71 -1.235 37.139 -2.991 1.00 74.11 C ATOM 1170 C LEU A 71 -0.860 38.165 -1.926 1.00 72.34 C ATOM 1171 O LEU A 71 0.301 38.267 -1.531 1.00 21.42 O ATOM 1172 CB LEU A 71 -1.079 35.724 -2.430 1.00 43.43 C ATOM 1173 CG LEU A 71 -1.206 34.584 -3.441 1.00 34.12 C ATOM 1174 CD1 LEU A 71 -0.416 33.370 -2.978 1.00 62.22 C ATOM 1175 CD2 LEU A 71 -2.669 34.221 -3.653 1.00 61.14 C ATOM 0 HA LEU A 71 -2.276 37.299 -3.272 1.00 74.11 H new ATOM 0 HB2 LEU A 71 -0.103 35.650 -1.950 1.00 43.43 H new ATOM 0 HB3 LEU A 71 -1.828 35.578 -1.652 1.00 43.43 H new ATOM 0 HG LEU A 71 -0.793 34.919 -4.392 1.00 34.12 H new ATOM 0 HD11 LEU A 71 -0.518 32.569 -3.710 1.00 62.22 H new ATOM 0 HD12 LEU A 71 0.636 33.637 -2.877 1.00 62.22 H new ATOM 0 HD13 LEU A 71 -0.799 33.033 -2.015 1.00 62.22 H new ATOM 0 HD21 LEU A 71 -2.741 33.408 -4.375 1.00 61.14 H new ATOM 0 HD22 LEU A 71 -3.106 33.905 -2.706 1.00 61.14 H new ATOM 0 HD23 LEU A 71 -3.209 35.090 -4.030 1.00 61.14 H new ATOM 1187 N TRP A 72 -1.850 38.920 -1.466 1.00 13.43 N ATOM 1188 CA TRP A 72 -1.624 39.937 -0.445 1.00 12.04 C ATOM 1189 C TRP A 72 -2.063 39.437 0.927 1.00 3.45 C ATOM 1190 O TRP A 72 -3.219 39.062 1.120 1.00 63.11 O ATOM 1191 CB TRP A 72 -2.377 41.221 -0.798 1.00 70.33 C ATOM 1192 CG TRP A 72 -1.947 41.822 -2.102 1.00 61.52 C ATOM 1193 CD1 TRP A 72 -2.751 42.163 -3.152 1.00 2.41 C ATOM 1194 CD2 TRP A 72 -0.610 42.149 -2.495 1.00 43.21 C ATOM 1195 NE1 TRP A 72 -1.994 42.684 -4.174 1.00 21.12 N ATOM 1196 CE2 TRP A 72 -0.677 42.687 -3.795 1.00 74.24 C ATOM 1197 CE3 TRP A 72 0.638 42.043 -1.875 1.00 31.25 C ATOM 1198 CZ2 TRP A 72 0.455 43.114 -4.484 1.00 12.44 C ATOM 1199 CZ3 TRP A 72 1.761 42.467 -2.559 1.00 53.31 C ATOM 1200 CH2 TRP A 72 1.663 42.998 -3.852 1.00 43.41 C ATOM 0 H TRP A 72 -2.817 38.848 -1.783 1.00 13.43 H new ATOM 0 HA TRP A 72 -0.555 40.149 -0.410 1.00 12.04 H new ATOM 0 HB2 TRP A 72 -3.445 41.008 -0.839 1.00 70.33 H new ATOM 0 HB3 TRP A 72 -2.228 41.951 -0.003 1.00 70.33 H new ATOM 0 HD1 TRP A 72 -3.824 42.041 -3.176 1.00 2.41 H new ATOM 0 HE1 TRP A 72 -2.354 43.015 -5.069 1.00 21.12 H new ATOM 0 HE3 TRP A 72 0.723 41.637 -0.878 1.00 31.25 H new ATOM 0 HZ2 TRP A 72 0.382 43.522 -5.481 1.00 12.44 H new ATOM 0 HZ3 TRP A 72 2.730 42.388 -2.089 1.00 53.31 H new ATOM 0 HH2 TRP A 72 2.559 43.322 -4.360 1.00 43.41 H new ATOM 1211 N GLN A 73 -1.133 39.436 1.877 1.00 2.11 N ATOM 1212 CA GLN A 73 -1.425 38.982 3.231 1.00 32.43 C ATOM 1213 C GLN A 73 -2.634 39.715 3.803 1.00 52.25 C ATOM 1214 O GLN A 73 -2.609 40.933 3.976 1.00 72.04 O ATOM 1215 CB GLN A 73 -0.211 39.194 4.137 1.00 65.34 C ATOM 1216 CG GLN A 73 -0.203 38.298 5.365 1.00 54.11 C ATOM 1217 CD GLN A 73 -0.395 39.073 6.654 1.00 41.45 C ATOM 1218 OE1 GLN A 73 -1.409 39.746 6.842 1.00 44.51 O ATOM 1219 NE2 GLN A 73 0.581 38.983 7.550 1.00 72.23 N ATOM 0 H GLN A 73 -0.171 39.744 1.734 1.00 2.11 H new ATOM 0 HA GLN A 73 -1.655 37.918 3.187 1.00 32.43 H new ATOM 0 HB2 GLN A 73 0.697 39.015 3.561 1.00 65.34 H new ATOM 0 HB3 GLN A 73 -0.185 40.235 4.458 1.00 65.34 H new ATOM 0 HG2 GLN A 73 -0.994 37.553 5.272 1.00 54.11 H new ATOM 0 HG3 GLN A 73 0.742 37.756 5.409 1.00 54.11 H new ATOM 0 HE21 GLN A 73 1.404 38.414 7.352 1.00 72.23 H new ATOM 0 HE22 GLN A 73 0.508 39.483 8.436 1.00 72.23 H new ATOM 1228 N GLY A 74 -3.693 38.965 4.093 1.00 23.14 N ATOM 1229 CA GLY A 74 -4.897 39.561 4.641 1.00 2.45 C ATOM 1230 C GLY A 74 -5.992 39.713 3.605 1.00 74.11 C ATOM 1231 O GLY A 74 -7.140 40.005 3.941 1.00 31.04 O ATOM 0 H GLY A 74 -3.738 37.955 3.958 1.00 23.14 H new ATOM 0 HA2 GLY A 74 -5.262 38.945 5.463 1.00 2.45 H new ATOM 0 HA3 GLY A 74 -4.657 40.539 5.058 1.00 2.45 H new ATOM 1235 N LYS A 75 -5.639 39.516 2.339 1.00 23.24 N ATOM 1236 CA LYS A 75 -6.599 39.632 1.249 1.00 55.31 C ATOM 1237 C LYS A 75 -6.678 38.334 0.452 1.00 42.12 C ATOM 1238 O LYS A 75 -7.755 37.762 0.283 1.00 0.23 O ATOM 1239 CB LYS A 75 -6.214 40.789 0.324 1.00 72.23 C ATOM 1240 CG LYS A 75 -5.851 42.065 1.064 1.00 60.53 C ATOM 1241 CD LYS A 75 -7.013 42.574 1.900 1.00 42.31 C ATOM 1242 CE LYS A 75 -7.025 44.094 1.970 1.00 63.41 C ATOM 1243 NZ LYS A 75 -8.261 44.609 2.621 1.00 50.24 N ATOM 0 H LYS A 75 -4.693 39.275 2.043 1.00 23.24 H new ATOM 0 HA LYS A 75 -7.579 39.831 1.682 1.00 55.31 H new ATOM 0 HB2 LYS A 75 -5.369 40.484 -0.293 1.00 72.23 H new ATOM 0 HB3 LYS A 75 -7.044 40.995 -0.352 1.00 72.23 H new ATOM 0 HG2 LYS A 75 -4.991 41.881 1.708 1.00 60.53 H new ATOM 0 HG3 LYS A 75 -5.554 42.831 0.347 1.00 60.53 H new ATOM 0 HD2 LYS A 75 -7.952 42.221 1.473 1.00 42.31 H new ATOM 0 HD3 LYS A 75 -6.946 42.163 2.907 1.00 42.31 H new ATOM 0 HE2 LYS A 75 -6.152 44.439 2.524 1.00 63.41 H new ATOM 0 HE3 LYS A 75 -6.947 44.505 0.963 1.00 63.41 H new ATOM 0 HZ1 LYS A 75 -8.231 45.648 2.649 1.00 50.24 H new ATOM 0 HZ2 LYS A 75 -9.093 44.301 2.078 1.00 50.24 H new ATOM 0 HZ3 LYS A 75 -8.323 44.238 3.590 1.00 50.24 H new ATOM 1257 N ASP A 76 -5.531 37.874 -0.035 1.00 4.01 N ATOM 1258 CA ASP A 76 -5.469 36.642 -0.812 1.00 72.41 C ATOM 1259 C ASP A 76 -5.184 35.444 0.089 1.00 1.43 C ATOM 1260 O ASP A 76 -4.837 34.364 -0.388 1.00 41.03 O ATOM 1261 CB ASP A 76 -4.394 36.749 -1.894 1.00 64.11 C ATOM 1262 CG ASP A 76 -4.726 37.796 -2.939 1.00 3.32 C ATOM 1263 OD1 ASP A 76 -4.579 39.000 -2.640 1.00 41.21 O ATOM 1264 OD2 ASP A 76 -5.132 37.412 -4.055 1.00 44.03 O ATOM 0 H ASP A 76 -4.631 38.336 0.095 1.00 4.01 H new ATOM 0 HA ASP A 76 -6.438 36.493 -1.288 1.00 72.41 H new ATOM 0 HB2 ASP A 76 -3.439 36.994 -1.430 1.00 64.11 H new ATOM 0 HB3 ASP A 76 -4.274 35.781 -2.380 1.00 64.11 H new ATOM 1269 N ASP A 77 -5.331 35.645 1.394 1.00 34.52 N ATOM 1270 CA ASP A 77 -5.090 34.582 2.363 1.00 64.41 C ATOM 1271 C ASP A 77 -6.031 33.405 2.125 1.00 40.01 C ATOM 1272 O ASP A 77 -5.715 32.265 2.465 1.00 22.45 O ATOM 1273 CB ASP A 77 -5.265 35.111 3.787 1.00 24.11 C ATOM 1274 CG ASP A 77 -6.723 35.276 4.168 1.00 4.12 C ATOM 1275 OD1 ASP A 77 -7.443 36.006 3.455 1.00 23.33 O ATOM 1276 OD2 ASP A 77 -7.143 34.677 5.180 1.00 35.40 O ATOM 0 H ASP A 77 -5.616 36.534 1.805 1.00 34.52 H new ATOM 0 HA ASP A 77 -4.065 34.235 2.236 1.00 64.41 H new ATOM 0 HB2 ASP A 77 -4.785 34.427 4.487 1.00 24.11 H new ATOM 0 HB3 ASP A 77 -4.757 36.071 3.880 1.00 24.11 H new ATOM 1281 N HIS A 78 -7.190 33.690 1.539 1.00 23.10 N ATOM 1282 CA HIS A 78 -8.178 32.655 1.256 1.00 40.11 C ATOM 1283 C HIS A 78 -7.786 31.854 0.018 1.00 54.01 C ATOM 1284 O HIS A 78 -8.283 30.749 -0.202 1.00 24.02 O ATOM 1285 CB HIS A 78 -9.559 33.280 1.057 1.00 12.05 C ATOM 1286 CG HIS A 78 -9.692 34.045 -0.223 1.00 51.21 C ATOM 1287 ND1 HIS A 78 -8.804 34.822 -0.886 1.00 30.25 N flip ATOM 1288 CD2 HIS A 78 -10.850 34.065 -0.972 1.00 51.43 C flip ATOM 1289 CE1 HIS A 78 -9.435 35.291 -2.012 1.00 51.45 C flip ATOM 1290 NE2 HIS A 78 -10.668 34.819 -2.040 1.00 41.52 N flip ATOM 0 H HIS A 78 -7.468 34.628 1.251 1.00 23.10 H new ATOM 0 HA HIS A 78 -8.213 31.978 2.109 1.00 40.11 H new ATOM 0 HB2 HIS A 78 -10.312 32.492 1.079 1.00 12.05 H new ATOM 0 HB3 HIS A 78 -9.771 33.947 1.893 1.00 12.05 H new ATOM 0 HD2 HIS A 78 -11.763 33.545 -0.723 1.00 51.43 H new ATOM 0 HE1 HIS A 78 -8.994 35.940 -2.754 1.00 51.45 H new ATOM 0 HE2 HIS A 78 -11.362 35.005 -2.764 1.00 41.52 H new ATOM 1298 N VAL A 79 -6.894 32.419 -0.789 1.00 3.11 N ATOM 1299 CA VAL A 79 -6.435 31.758 -2.005 1.00 33.34 C ATOM 1300 C VAL A 79 -5.867 30.377 -1.698 1.00 70.41 C ATOM 1301 O VAL A 79 -4.850 30.249 -1.017 1.00 4.23 O ATOM 1302 CB VAL A 79 -5.362 32.593 -2.728 1.00 13.32 C ATOM 1303 CG1 VAL A 79 -4.813 31.835 -3.927 1.00 1.05 C ATOM 1304 CG2 VAL A 79 -5.932 33.938 -3.153 1.00 1.34 C ATOM 0 H VAL A 79 -6.474 33.334 -0.623 1.00 3.11 H new ATOM 0 HA VAL A 79 -7.303 31.655 -2.656 1.00 33.34 H new ATOM 0 HB VAL A 79 -4.540 32.774 -2.036 1.00 13.32 H new ATOM 0 HG11 VAL A 79 -4.056 32.441 -4.425 1.00 1.05 H new ATOM 0 HG12 VAL A 79 -4.366 30.899 -3.592 1.00 1.05 H new ATOM 0 HG13 VAL A 79 -5.623 31.621 -4.624 1.00 1.05 H new ATOM 0 HG21 VAL A 79 -5.161 34.515 -3.662 1.00 1.34 H new ATOM 0 HG22 VAL A 79 -6.773 33.780 -3.829 1.00 1.34 H new ATOM 0 HG23 VAL A 79 -6.272 34.484 -2.273 1.00 1.34 H new ATOM 1314 N VAL A 80 -6.531 29.343 -2.206 1.00 51.33 N ATOM 1315 CA VAL A 80 -6.092 27.970 -1.989 1.00 4.35 C ATOM 1316 C VAL A 80 -5.127 27.522 -3.080 1.00 44.45 C ATOM 1317 O VAL A 80 -5.467 27.527 -4.264 1.00 11.02 O ATOM 1318 CB VAL A 80 -7.286 26.999 -1.944 1.00 71.14 C ATOM 1319 CG1 VAL A 80 -6.801 25.560 -1.861 1.00 74.41 C ATOM 1320 CG2 VAL A 80 -8.199 27.331 -0.774 1.00 54.20 C ATOM 0 H VAL A 80 -7.376 29.431 -2.771 1.00 51.33 H new ATOM 0 HA VAL A 80 -5.581 27.950 -1.026 1.00 4.35 H new ATOM 0 HB VAL A 80 -7.858 27.112 -2.865 1.00 71.14 H new ATOM 0 HG11 VAL A 80 -7.659 24.888 -1.830 1.00 74.41 H new ATOM 0 HG12 VAL A 80 -6.192 25.330 -2.735 1.00 74.41 H new ATOM 0 HG13 VAL A 80 -6.205 25.429 -0.958 1.00 74.41 H new ATOM 0 HG21 VAL A 80 -9.037 26.635 -0.758 1.00 54.20 H new ATOM 0 HG22 VAL A 80 -7.640 27.248 0.158 1.00 54.20 H new ATOM 0 HG23 VAL A 80 -8.574 28.348 -0.883 1.00 54.20 H new ATOM 1330 N ILE A 81 -3.922 27.136 -2.675 1.00 63.43 N ATOM 1331 CA ILE A 81 -2.908 26.683 -3.619 1.00 64.04 C ATOM 1332 C ILE A 81 -2.836 25.160 -3.661 1.00 4.32 C ATOM 1333 O ILE A 81 -2.378 24.523 -2.712 1.00 25.31 O ATOM 1334 CB ILE A 81 -1.517 27.242 -3.263 1.00 74.13 C ATOM 1335 CG1 ILE A 81 -1.548 28.772 -3.246 1.00 21.44 C ATOM 1336 CG2 ILE A 81 -0.475 26.739 -4.251 1.00 74.11 C ATOM 1337 CD1 ILE A 81 -1.618 29.359 -1.853 1.00 70.53 C ATOM 0 H ILE A 81 -3.624 27.128 -1.700 1.00 63.43 H new ATOM 0 HA ILE A 81 -3.201 27.057 -4.600 1.00 64.04 H new ATOM 0 HB ILE A 81 -1.244 26.891 -2.268 1.00 74.13 H new ATOM 0 HG12 ILE A 81 -0.657 29.151 -3.747 1.00 21.44 H new ATOM 0 HG13 ILE A 81 -2.408 29.116 -3.820 1.00 21.44 H new ATOM 0 HG21 ILE A 81 0.502 27.143 -3.986 1.00 74.11 H new ATOM 0 HG22 ILE A 81 -0.439 25.650 -4.219 1.00 74.11 H new ATOM 0 HG23 ILE A 81 -0.741 27.063 -5.257 1.00 74.11 H new ATOM 0 HD11 ILE A 81 -1.637 30.447 -1.917 1.00 70.53 H new ATOM 0 HD12 ILE A 81 -2.523 29.009 -1.356 1.00 70.53 H new ATOM 0 HD13 ILE A 81 -0.745 29.044 -1.281 1.00 70.53 H new ATOM 1349 N THR A 82 -3.290 24.582 -4.768 1.00 61.42 N ATOM 1350 CA THR A 82 -3.277 23.134 -4.935 1.00 23.24 C ATOM 1351 C THR A 82 -2.143 22.697 -5.855 1.00 70.51 C ATOM 1352 O THR A 82 -2.151 22.992 -7.051 1.00 11.42 O ATOM 1353 CB THR A 82 -4.613 22.622 -5.505 1.00 64.32 C ATOM 1354 OG1 THR A 82 -4.485 21.250 -5.897 1.00 4.32 O ATOM 1355 CG2 THR A 82 -5.046 23.457 -6.700 1.00 54.22 C ATOM 0 H THR A 82 -3.672 25.095 -5.563 1.00 61.42 H new ATOM 0 HA THR A 82 -3.124 22.703 -3.946 1.00 23.24 H new ATOM 0 HB THR A 82 -5.372 22.708 -4.727 1.00 64.32 H new ATOM 0 HG1 THR A 82 -5.339 20.932 -6.257 1.00 4.32 H new ATOM 0 HG21 THR A 82 -5.992 23.077 -7.086 1.00 54.22 H new ATOM 0 HG22 THR A 82 -5.171 24.495 -6.392 1.00 54.22 H new ATOM 0 HG23 THR A 82 -4.286 23.398 -7.479 1.00 54.22 H new ATOM 1363 N LEU A 83 -1.169 21.990 -5.292 1.00 10.31 N ATOM 1364 CA LEU A 83 -0.027 21.511 -6.063 1.00 73.30 C ATOM 1365 C LEU A 83 -0.486 20.820 -7.343 1.00 53.34 C ATOM 1366 O LEU A 83 -0.979 19.692 -7.311 1.00 30.14 O ATOM 1367 CB LEU A 83 0.812 20.547 -5.223 1.00 30.52 C ATOM 1368 CG LEU A 83 2.329 20.710 -5.328 1.00 14.20 C ATOM 1369 CD1 LEU A 83 2.731 22.150 -5.051 1.00 14.51 C ATOM 1370 CD2 LEU A 83 3.035 19.763 -4.369 1.00 10.44 C ATOM 0 H LEU A 83 -1.147 21.736 -4.304 1.00 10.31 H new ATOM 0 HA LEU A 83 0.583 22.372 -6.335 1.00 73.30 H new ATOM 0 HB2 LEU A 83 0.526 20.664 -4.178 1.00 30.52 H new ATOM 0 HB3 LEU A 83 0.555 19.528 -5.512 1.00 30.52 H new ATOM 0 HG LEU A 83 2.633 20.459 -6.344 1.00 14.20 H new ATOM 0 HD11 LEU A 83 3.814 22.247 -5.130 1.00 14.51 H new ATOM 0 HD12 LEU A 83 2.254 22.807 -5.778 1.00 14.51 H new ATOM 0 HD13 LEU A 83 2.414 22.429 -4.046 1.00 14.51 H new ATOM 0 HD21 LEU A 83 4.114 19.893 -4.458 1.00 10.44 H new ATOM 0 HD22 LEU A 83 2.726 19.983 -3.347 1.00 10.44 H new ATOM 0 HD23 LEU A 83 2.772 18.734 -4.614 1.00 10.44 H new ATOM 1382 N LEU A 84 -0.320 21.504 -8.470 1.00 64.22 N ATOM 1383 CA LEU A 84 -0.715 20.956 -9.763 1.00 64.41 C ATOM 1384 C LEU A 84 0.477 20.318 -10.471 1.00 54.32 C ATOM 1385 O LEU A 84 1.182 20.978 -11.234 1.00 22.51 O ATOM 1386 CB LEU A 84 -1.317 22.053 -10.642 1.00 14.12 C ATOM 1387 CG LEU A 84 -2.570 22.739 -10.095 1.00 22.14 C ATOM 1388 CD1 LEU A 84 -3.223 23.594 -11.169 1.00 61.03 C ATOM 1389 CD2 LEU A 84 -3.553 21.707 -9.561 1.00 2.11 C ATOM 0 H LEU A 84 0.085 22.439 -8.514 1.00 64.22 H new ATOM 0 HA LEU A 84 -1.466 20.186 -9.589 1.00 64.41 H new ATOM 0 HB2 LEU A 84 -0.555 22.814 -10.812 1.00 14.12 H new ATOM 0 HB3 LEU A 84 -1.558 21.621 -11.613 1.00 14.12 H new ATOM 0 HG LEU A 84 -2.274 23.390 -9.272 1.00 22.14 H new ATOM 0 HD11 LEU A 84 -4.113 24.074 -10.761 1.00 61.03 H new ATOM 0 HD12 LEU A 84 -2.520 24.357 -11.504 1.00 61.03 H new ATOM 0 HD13 LEU A 84 -3.505 22.965 -12.013 1.00 61.03 H new ATOM 0 HD21 LEU A 84 -4.438 22.213 -9.176 1.00 2.11 H new ATOM 0 HD22 LEU A 84 -3.843 21.030 -10.365 1.00 2.11 H new ATOM 0 HD23 LEU A 84 -3.083 21.138 -8.759 1.00 2.11 H new ATOM 1401 N GLU A 85 0.692 19.032 -10.214 1.00 63.15 N ATOM 1402 CA GLU A 85 1.798 18.306 -10.829 1.00 75.10 C ATOM 1403 C GLU A 85 1.293 17.069 -11.567 1.00 54.31 C ATOM 1404 O GLU A 85 0.299 17.129 -12.290 1.00 40.04 O ATOM 1405 CB GLU A 85 2.821 17.897 -9.768 1.00 3.32 C ATOM 1406 CG GLU A 85 3.822 18.991 -9.435 1.00 24.21 C ATOM 1407 CD GLU A 85 5.191 18.441 -9.082 1.00 50.24 C ATOM 1408 OE1 GLU A 85 5.807 17.785 -9.948 1.00 42.34 O ATOM 1409 OE2 GLU A 85 5.646 18.666 -7.942 1.00 14.45 O ATOM 0 H GLU A 85 0.116 18.472 -9.585 1.00 63.15 H new ATOM 0 HA GLU A 85 2.277 18.968 -11.550 1.00 75.10 H new ATOM 0 HB2 GLU A 85 2.294 17.609 -8.858 1.00 3.32 H new ATOM 0 HB3 GLU A 85 3.360 17.016 -10.116 1.00 3.32 H new ATOM 0 HG2 GLU A 85 3.914 19.666 -10.286 1.00 24.21 H new ATOM 0 HG3 GLU A 85 3.445 19.581 -8.600 1.00 24.21 H new