USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 326 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 917 THR OG1 : rot 31:sc= 0.0455 USER MOD Single : A 921 MET CE :methyl -169:sc= -1.87! (180deg=-2.16) USER MOD Single : A 923 HIS : no HD1:sc= -0.799 X(o=-0.8,f=-0.31) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 935 ASN : amide:sc= -5.44! C(o=-5.4!,f=-7.4!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 147:sc= 0.325 (180deg=-0.134) USER MOD Single : A 942 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-7!) USER MOD Single : A 943 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.4!) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 948 GLN : amide:sc= -0.0926 K(o=-0.093,f=-2) USER MOD Single : A 951 THR OG1 : rot 88:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 9.012 2.279 -19.300 1.00 72.25 N ATOM 115 CA THR A 917 9.416 1.318 -20.319 1.00 20.10 C ATOM 116 C THR A 917 9.822 2.022 -21.609 1.00 22.13 C ATOM 117 O THR A 917 10.755 1.599 -22.290 1.00 45.12 O ATOM 118 CB THR A 917 8.286 0.318 -20.627 1.00 61.55 C ATOM 119 OG1 THR A 917 7.943 -0.414 -19.445 1.00 64.23 O ATOM 120 CG2 THR A 917 8.704 -0.649 -21.725 1.00 60.21 C ATOM 0 HA THR A 917 10.273 0.775 -19.920 1.00 20.10 H new ATOM 0 HB THR A 917 7.417 0.880 -20.970 1.00 61.55 H new ATOM 0 HG1 THR A 917 8.085 0.152 -18.657 1.00 64.23 H new ATOM 0 HG21 THR A 917 7.890 -1.346 -21.925 1.00 60.21 H new ATOM 0 HG22 THR A 917 8.936 -0.091 -22.632 1.00 60.21 H new ATOM 0 HG23 THR A 917 9.586 -1.204 -21.405 1.00 60.21 H new ATOM 128 N ALA A 918 9.116 3.098 -21.937 1.00 53.45 N ATOM 129 CA ALA A 918 9.405 3.863 -23.144 1.00 60.35 C ATOM 130 C ALA A 918 10.834 4.394 -23.128 1.00 41.51 C ATOM 131 O ALA A 918 11.486 4.482 -24.168 1.00 72.13 O ATOM 132 CB ALA A 918 8.415 5.008 -23.294 1.00 1.54 C ATOM 0 H ALA A 918 8.339 3.460 -21.384 1.00 53.45 H new ATOM 0 HA ALA A 918 9.303 3.196 -24.000 1.00 60.35 H new ATOM 0 HB1 ALA A 918 8.643 5.570 -24.200 1.00 1.54 H new ATOM 0 HB2 ALA A 918 7.403 4.608 -23.361 1.00 1.54 H new ATOM 0 HB3 ALA A 918 8.488 5.668 -22.429 1.00 1.54 H new ATOM 138 N ALA A 919 11.315 4.749 -21.941 1.00 40.10 N ATOM 139 CA ALA A 919 12.668 5.271 -21.790 1.00 15.23 C ATOM 140 C ALA A 919 13.705 4.168 -21.969 1.00 40.25 C ATOM 141 O ALA A 919 14.719 4.359 -22.642 1.00 41.22 O ATOM 142 CB ALA A 919 12.829 5.933 -20.429 1.00 55.23 C ATOM 0 H ALA A 919 10.788 4.685 -21.070 1.00 40.10 H new ATOM 0 HA ALA A 919 12.832 6.017 -22.567 1.00 15.23 H new ATOM 0 HB1 ALA A 919 13.844 6.318 -20.330 1.00 55.23 H new ATOM 0 HB2 ALA A 919 12.118 6.754 -20.338 1.00 55.23 H new ATOM 0 HB3 ALA A 919 12.640 5.201 -19.644 1.00 55.23 H new ATOM 148 N LEU A 920 13.446 3.014 -21.364 1.00 50.51 N ATOM 149 CA LEU A 920 14.358 1.880 -21.457 1.00 23.01 C ATOM 150 C LEU A 920 14.499 1.411 -22.901 1.00 72.24 C ATOM 151 O LEU A 920 15.594 1.074 -23.351 1.00 74.21 O ATOM 152 CB LEU A 920 13.862 0.728 -20.581 1.00 3.44 C ATOM 153 CG LEU A 920 13.347 1.114 -19.194 1.00 11.24 C ATOM 154 CD1 LEU A 920 12.956 -0.126 -18.405 1.00 65.22 C ATOM 155 CD2 LEU A 920 14.396 1.919 -18.440 1.00 15.31 C ATOM 0 H LEU A 920 12.612 2.839 -20.804 1.00 50.51 H new ATOM 0 HA LEU A 920 15.337 2.203 -21.102 1.00 23.01 H new ATOM 0 HB2 LEU A 920 13.063 0.212 -21.113 1.00 3.44 H new ATOM 0 HB3 LEU A 920 14.677 0.014 -20.459 1.00 3.44 H new ATOM 0 HG LEU A 920 12.460 1.736 -19.317 1.00 11.24 H new ATOM 0 HD11 LEU A 920 12.592 0.169 -17.421 1.00 65.22 H new ATOM 0 HD12 LEU A 920 12.170 -0.663 -18.937 1.00 65.22 H new ATOM 0 HD13 LEU A 920 13.825 -0.774 -18.291 1.00 65.22 H new ATOM 0 HD21 LEU A 920 14.012 2.185 -17.455 1.00 15.31 H new ATOM 0 HD22 LEU A 920 15.301 1.322 -18.328 1.00 15.31 H new ATOM 0 HD23 LEU A 920 14.627 2.827 -18.997 1.00 15.31 H new ATOM 167 N MET A 921 13.383 1.394 -23.624 1.00 23.13 N ATOM 168 CA MET A 921 13.383 0.970 -25.019 1.00 21.51 C ATOM 169 C MET A 921 14.330 1.830 -25.849 1.00 43.11 C ATOM 170 O MET A 921 14.956 1.348 -26.792 1.00 63.43 O ATOM 171 CB MET A 921 11.969 1.044 -25.597 1.00 14.32 C ATOM 172 CG MET A 921 11.048 -0.056 -25.094 1.00 51.05 C ATOM 173 SD MET A 921 9.735 -0.452 -26.266 1.00 25.13 S ATOM 174 CE MET A 921 8.442 -0.998 -25.153 1.00 65.52 C ATOM 0 H MET A 921 12.468 1.669 -23.267 1.00 23.13 H new ATOM 0 HA MET A 921 13.730 -0.063 -25.058 1.00 21.51 H new ATOM 0 HB2 MET A 921 11.534 2.012 -25.349 1.00 14.32 H new ATOM 0 HB3 MET A 921 12.026 0.990 -26.684 1.00 14.32 H new ATOM 0 HG2 MET A 921 11.635 -0.953 -24.895 1.00 51.05 H new ATOM 0 HG3 MET A 921 10.604 0.252 -24.147 1.00 51.05 H new ATOM 0 HE1 MET A 921 7.638 -1.459 -25.727 1.00 65.52 H new ATOM 0 HE2 MET A 921 8.850 -1.725 -24.450 1.00 65.52 H new ATOM 0 HE3 MET A 921 8.050 -0.142 -24.603 1.00 65.52 H new ATOM 184 N ALA A 922 14.430 3.106 -25.492 1.00 12.32 N ATOM 185 CA ALA A 922 15.302 4.033 -26.203 1.00 32.11 C ATOM 186 C ALA A 922 16.769 3.665 -26.009 1.00 72.41 C ATOM 187 O ALA A 922 17.609 3.952 -26.862 1.00 64.20 O ATOM 188 CB ALA A 922 15.048 5.459 -25.738 1.00 13.12 C ATOM 0 H ALA A 922 13.918 3.522 -24.714 1.00 12.32 H new ATOM 0 HA ALA A 922 15.074 3.963 -27.267 1.00 32.11 H new ATOM 0 HB1 ALA A 922 15.706 6.140 -26.277 1.00 13.12 H new ATOM 0 HB2 ALA A 922 14.010 5.726 -25.934 1.00 13.12 H new ATOM 0 HB3 ALA A 922 15.246 5.534 -24.669 1.00 13.12 H new ATOM 194 N HIS A 923 17.070 3.028 -24.882 1.00 24.21 N ATOM 195 CA HIS A 923 18.437 2.620 -24.576 1.00 42.43 C ATOM 196 C HIS A 923 18.917 1.552 -25.554 1.00 30.32 C ATOM 197 O HIS A 923 20.094 1.509 -25.915 1.00 53.54 O ATOM 198 CB HIS A 923 18.527 2.095 -23.143 1.00 73.53 C ATOM 199 CG HIS A 923 18.148 3.109 -22.108 1.00 64.14 C ATOM 200 ND1 HIS A 923 18.099 4.463 -22.364 1.00 65.03 N ATOM 201 CD2 HIS A 923 17.798 2.960 -20.809 1.00 40.15 C ATOM 202 CE1 HIS A 923 17.737 5.103 -21.267 1.00 41.31 C ATOM 203 NE2 HIS A 923 17.548 4.214 -20.309 1.00 55.10 N ATOM 0 H HIS A 923 16.386 2.783 -24.166 1.00 24.21 H new ATOM 0 HA HIS A 923 19.081 3.494 -24.675 1.00 42.43 H new ATOM 0 HB2 HIS A 923 17.878 1.225 -23.042 1.00 73.53 H new ATOM 0 HB3 HIS A 923 19.545 1.757 -22.952 1.00 73.53 H new ATOM 0 HD2 HIS A 923 17.728 2.028 -20.267 1.00 40.15 H new ATOM 0 HE1 HIS A 923 17.616 6.172 -21.170 1.00 41.31 H new ATOM 0 HE2 HIS A 923 17.263 4.425 -19.353 1.00 55.10 H new ATOM 211 N LEU A 924 17.999 0.690 -25.977 1.00 63.43 N ATOM 212 CA LEU A 924 18.329 -0.380 -26.913 1.00 33.32 C ATOM 213 C LEU A 924 18.442 0.156 -28.336 1.00 0.50 C ATOM 214 O LEU A 924 19.376 -0.179 -29.065 1.00 2.24 O ATOM 215 CB LEU A 924 17.268 -1.481 -26.854 1.00 12.24 C ATOM 216 CG LEU A 924 17.034 -2.115 -25.482 1.00 2.21 C ATOM 217 CD1 LEU A 924 15.629 -1.812 -24.986 1.00 52.11 C ATOM 218 CD2 LEU A 924 17.268 -3.617 -25.542 1.00 63.30 C ATOM 0 H LEU A 924 17.021 0.711 -25.687 1.00 63.43 H new ATOM 0 HA LEU A 924 19.294 -0.797 -26.624 1.00 33.32 H new ATOM 0 HB2 LEU A 924 16.323 -1.067 -27.206 1.00 12.24 H new ATOM 0 HB3 LEU A 924 17.551 -2.269 -27.552 1.00 12.24 H new ATOM 0 HG LEU A 924 17.746 -1.684 -24.778 1.00 2.21 H new ATOM 0 HD11 LEU A 924 15.481 -2.271 -24.009 1.00 52.11 H new ATOM 0 HD12 LEU A 924 15.497 -0.733 -24.904 1.00 52.11 H new ATOM 0 HD13 LEU A 924 14.900 -2.214 -25.690 1.00 52.11 H new ATOM 0 HD21 LEU A 924 17.097 -4.052 -24.557 1.00 63.30 H new ATOM 0 HD22 LEU A 924 16.580 -4.064 -26.260 1.00 63.30 H new ATOM 0 HD23 LEU A 924 18.294 -3.813 -25.852 1.00 63.30 H new ATOM 230 N PHE A 925 17.486 0.993 -28.725 1.00 51.41 N ATOM 231 CA PHE A 925 17.479 1.578 -30.061 1.00 11.20 C ATOM 232 C PHE A 925 18.760 2.368 -30.316 1.00 34.42 C ATOM 233 O PHE A 925 19.201 2.502 -31.457 1.00 31.05 O ATOM 234 CB PHE A 925 16.262 2.489 -30.236 1.00 33.23 C ATOM 235 CG PHE A 925 14.954 1.801 -29.964 1.00 65.34 C ATOM 236 CD1 PHE A 925 14.735 0.504 -30.401 1.00 42.22 C ATOM 237 CD2 PHE A 925 13.945 2.450 -29.272 1.00 41.23 C ATOM 238 CE1 PHE A 925 13.533 -0.131 -30.154 1.00 11.24 C ATOM 239 CE2 PHE A 925 12.741 1.820 -29.021 1.00 53.13 C ATOM 240 CZ PHE A 925 12.535 0.527 -29.462 1.00 11.43 C ATOM 0 H PHE A 925 16.706 1.281 -28.134 1.00 51.41 H new ATOM 0 HA PHE A 925 17.423 0.765 -30.785 1.00 11.20 H new ATOM 0 HB2 PHE A 925 16.359 3.344 -29.568 1.00 33.23 H new ATOM 0 HB3 PHE A 925 16.253 2.879 -31.254 1.00 33.23 H new ATOM 0 HD1 PHE A 925 15.513 -0.016 -30.941 1.00 42.22 H new ATOM 0 HD2 PHE A 925 14.101 3.461 -28.924 1.00 41.23 H new ATOM 0 HE1 PHE A 925 13.374 -1.141 -30.502 1.00 11.24 H new ATOM 0 HE2 PHE A 925 11.962 2.338 -28.481 1.00 53.13 H new ATOM 0 HZ PHE A 925 11.595 0.032 -29.266 1.00 11.43 H new ATOM 250 N GLU A 926 19.350 2.888 -29.244 1.00 61.14 N ATOM 251 CA GLU A 926 20.579 3.665 -29.352 1.00 41.33 C ATOM 252 C GLU A 926 21.733 2.794 -29.839 1.00 23.53 C ATOM 253 O GLU A 926 22.707 3.293 -30.402 1.00 22.54 O ATOM 254 CB GLU A 926 20.933 4.292 -28.002 1.00 33.11 C ATOM 255 CG GLU A 926 20.183 5.582 -27.714 1.00 73.34 C ATOM 256 CD GLU A 926 20.767 6.773 -28.449 1.00 22.50 C ATOM 257 OE1 GLU A 926 21.879 6.640 -29.002 1.00 41.12 O ATOM 258 OE2 GLU A 926 20.114 7.836 -28.471 1.00 14.23 O ATOM 0 H GLU A 926 18.997 2.785 -28.292 1.00 61.14 H new ATOM 0 HA GLU A 926 20.413 4.459 -30.081 1.00 41.33 H new ATOM 0 HB2 GLU A 926 20.720 3.574 -27.210 1.00 33.11 H new ATOM 0 HB3 GLU A 926 22.004 4.490 -27.973 1.00 33.11 H new ATOM 0 HG2 GLU A 926 19.138 5.461 -27.998 1.00 73.34 H new ATOM 0 HG3 GLU A 926 20.201 5.777 -26.642 1.00 73.34 H new ATOM 265 N MET A 927 21.616 1.489 -29.616 1.00 71.53 N ATOM 266 CA MET A 927 22.649 0.547 -30.032 1.00 72.13 C ATOM 267 C MET A 927 22.507 0.203 -31.512 1.00 32.45 C ATOM 268 O MET A 927 23.498 0.096 -32.232 1.00 24.32 O ATOM 269 CB MET A 927 22.575 -0.728 -29.190 1.00 63.55 C ATOM 270 CG MET A 927 23.235 -0.596 -27.828 1.00 3.04 C ATOM 271 SD MET A 927 23.701 -2.189 -27.124 1.00 21.24 S ATOM 272 CE MET A 927 25.069 -1.708 -26.072 1.00 40.03 C ATOM 0 H MET A 927 20.817 1.060 -29.150 1.00 71.53 H new ATOM 0 HA MET A 927 23.620 1.019 -29.879 1.00 72.13 H new ATOM 0 HB2 MET A 927 21.529 -1.003 -29.053 1.00 63.55 H new ATOM 0 HB3 MET A 927 23.049 -1.543 -29.737 1.00 63.55 H new ATOM 0 HG2 MET A 927 24.122 0.031 -27.918 1.00 3.04 H new ATOM 0 HG3 MET A 927 22.553 -0.087 -27.146 1.00 3.04 H new ATOM 0 HE1 MET A 927 25.466 -2.588 -25.566 1.00 40.03 H new ATOM 0 HE2 MET A 927 25.852 -1.254 -26.679 1.00 40.03 H new ATOM 0 HE3 MET A 927 24.722 -0.989 -25.330 1.00 40.03 H new ATOM 282 N GLY A 928 21.266 0.030 -31.958 1.00 64.31 N ATOM 283 CA GLY A 928 21.018 -0.301 -33.349 1.00 62.22 C ATOM 284 C GLY A 928 20.236 -1.590 -33.508 1.00 13.31 C ATOM 285 O GLY A 928 20.379 -2.292 -34.509 1.00 31.22 O ATOM 0 H GLY A 928 20.429 0.113 -31.381 1.00 64.31 H new ATOM 0 HA2 GLY A 928 20.469 0.514 -33.821 1.00 62.22 H new ATOM 0 HA3 GLY A 928 21.969 -0.390 -33.873 1.00 62.22 H new ATOM 289 N PHE A 929 19.407 -1.903 -32.518 1.00 13.54 N ATOM 290 CA PHE A 929 18.600 -3.117 -32.550 1.00 63.14 C ATOM 291 C PHE A 929 17.345 -2.914 -33.394 1.00 1.10 C ATOM 292 O PHE A 929 17.103 -3.649 -34.352 1.00 55.21 O ATOM 293 CB PHE A 929 18.212 -3.535 -31.131 1.00 21.43 C ATOM 294 CG PHE A 929 19.342 -4.153 -30.358 1.00 21.13 C ATOM 295 CD1 PHE A 929 20.080 -5.195 -30.897 1.00 10.43 C ATOM 296 CD2 PHE A 929 19.666 -3.692 -29.092 1.00 21.53 C ATOM 297 CE1 PHE A 929 21.121 -5.765 -30.188 1.00 53.02 C ATOM 298 CE2 PHE A 929 20.706 -4.259 -28.379 1.00 11.43 C ATOM 299 CZ PHE A 929 21.433 -5.297 -28.927 1.00 43.10 C ATOM 0 H PHE A 929 19.276 -1.332 -31.683 1.00 13.54 H new ATOM 0 HA PHE A 929 19.197 -3.908 -33.003 1.00 63.14 H new ATOM 0 HB2 PHE A 929 17.847 -2.662 -30.590 1.00 21.43 H new ATOM 0 HB3 PHE A 929 17.387 -4.245 -31.183 1.00 21.43 H new ATOM 0 HD1 PHE A 929 19.839 -5.566 -31.882 1.00 10.43 H new ATOM 0 HD2 PHE A 929 19.100 -2.881 -28.658 1.00 21.53 H new ATOM 0 HE1 PHE A 929 21.689 -6.575 -30.620 1.00 53.02 H new ATOM 0 HE2 PHE A 929 20.950 -3.890 -27.394 1.00 11.43 H new ATOM 0 HZ PHE A 929 22.244 -5.742 -28.370 1.00 43.10 H new ATOM 309 N CYS A 930 16.551 -1.913 -33.030 1.00 42.15 N ATOM 310 CA CYS A 930 15.320 -1.613 -33.752 1.00 53.13 C ATOM 311 C CYS A 930 14.332 -2.770 -33.647 1.00 31.33 C ATOM 312 O CYS A 930 13.773 -3.216 -34.649 1.00 13.30 O ATOM 313 CB CYS A 930 15.624 -1.319 -35.222 1.00 1.11 C ATOM 314 SG CYS A 930 14.410 -0.249 -36.028 1.00 13.45 S ATOM 0 H CYS A 930 16.738 -1.296 -32.240 1.00 42.15 H new ATOM 0 HA CYS A 930 14.869 -0.731 -33.298 1.00 53.13 H new ATOM 0 HB2 CYS A 930 16.607 -0.853 -35.292 1.00 1.11 H new ATOM 0 HB3 CYS A 930 15.679 -2.262 -35.766 1.00 1.11 H new ATOM 0 HG CYS A 930 14.755 -0.057 -37.267 1.00 13.45 H new ATOM 320 N ASP A 931 14.123 -3.254 -32.427 1.00 44.40 N ATOM 321 CA ASP A 931 13.203 -4.360 -32.190 1.00 25.00 C ATOM 322 C ASP A 931 12.338 -4.094 -30.962 1.00 41.32 C ATOM 323 O ASP A 931 12.602 -4.616 -29.879 1.00 63.23 O ATOM 324 CB ASP A 931 13.979 -5.666 -32.009 1.00 73.04 C ATOM 325 CG ASP A 931 14.999 -5.891 -33.108 1.00 55.33 C ATOM 326 OD1 ASP A 931 14.607 -5.871 -34.294 1.00 33.43 O ATOM 327 OD2 ASP A 931 16.188 -6.087 -32.783 1.00 45.40 O ATOM 0 H ASP A 931 14.579 -2.897 -31.587 1.00 44.40 H new ATOM 0 HA ASP A 931 12.551 -4.451 -33.059 1.00 25.00 H new ATOM 0 HB2 ASP A 931 14.486 -5.653 -31.044 1.00 73.04 H new ATOM 0 HB3 ASP A 931 13.279 -6.501 -31.990 1.00 73.04 H new ATOM 332 N ARG A 932 11.305 -3.277 -31.139 1.00 34.01 N ATOM 333 CA ARG A 932 10.402 -2.939 -30.045 1.00 31.51 C ATOM 334 C ARG A 932 9.692 -4.185 -29.522 1.00 5.15 C ATOM 335 O ARG A 932 9.286 -4.237 -28.361 1.00 54.23 O ATOM 336 CB ARG A 932 9.371 -1.908 -30.506 1.00 74.02 C ATOM 337 CG ARG A 932 8.581 -2.342 -31.730 1.00 52.12 C ATOM 338 CD ARG A 932 7.138 -1.866 -31.660 1.00 21.44 C ATOM 339 NE ARG A 932 6.615 -1.508 -32.975 1.00 73.42 N ATOM 340 CZ ARG A 932 7.013 -0.442 -33.659 1.00 40.42 C ATOM 341 NH1 ARG A 932 7.935 0.367 -33.155 1.00 14.32 N ATOM 342 NH2 ARG A 932 6.490 -0.182 -34.851 1.00 34.44 N ATOM 0 H ARG A 932 11.072 -2.837 -32.029 1.00 34.01 H new ATOM 0 HA ARG A 932 10.995 -2.513 -29.236 1.00 31.51 H new ATOM 0 HB2 ARG A 932 8.678 -1.709 -29.689 1.00 74.02 H new ATOM 0 HB3 ARG A 932 9.881 -0.970 -30.727 1.00 74.02 H new ATOM 0 HG2 ARG A 932 9.053 -1.945 -32.629 1.00 52.12 H new ATOM 0 HG3 ARG A 932 8.603 -3.429 -31.812 1.00 52.12 H new ATOM 0 HD2 ARG A 932 6.518 -2.650 -31.225 1.00 21.44 H new ATOM 0 HD3 ARG A 932 7.073 -1.003 -30.997 1.00 21.44 H new ATOM 0 HE ARG A 932 5.905 -2.110 -33.391 1.00 73.42 H new ATOM 0 HH11 ARG A 932 8.340 0.171 -32.240 1.00 14.32 H new ATOM 0 HH12 ARG A 932 8.239 1.185 -33.683 1.00 14.32 H new ATOM 0 HH21 ARG A 932 5.781 -0.802 -35.243 1.00 34.44 H new ATOM 0 HH22 ARG A 932 6.797 0.638 -35.375 1.00 34.44 H new ATOM 356 N GLN A 933 9.548 -5.184 -30.386 1.00 20.55 N ATOM 357 CA GLN A 933 8.887 -6.429 -30.010 1.00 53.41 C ATOM 358 C GLN A 933 9.755 -7.240 -29.055 1.00 24.13 C ATOM 359 O GLN A 933 9.250 -7.881 -28.132 1.00 63.32 O ATOM 360 CB GLN A 933 8.567 -7.257 -31.256 1.00 13.23 C ATOM 361 CG GLN A 933 9.760 -7.458 -32.175 1.00 63.52 C ATOM 362 CD GLN A 933 9.474 -8.438 -33.296 1.00 43.04 C ATOM 363 OE1 GLN A 933 8.318 -8.699 -33.629 1.00 14.44 O ATOM 364 NE2 GLN A 933 10.529 -8.987 -33.887 1.00 5.21 N ATOM 0 H GLN A 933 9.880 -5.156 -31.350 1.00 20.55 H new ATOM 0 HA GLN A 933 7.957 -6.178 -29.500 1.00 53.41 H new ATOM 0 HB2 GLN A 933 8.188 -8.231 -30.947 1.00 13.23 H new ATOM 0 HB3 GLN A 933 7.768 -6.767 -31.813 1.00 13.23 H new ATOM 0 HG2 GLN A 933 10.051 -6.498 -32.602 1.00 63.52 H new ATOM 0 HG3 GLN A 933 10.607 -7.817 -31.591 1.00 63.52 H new ATOM 0 HE21 GLN A 933 11.470 -8.743 -33.580 1.00 5.21 H new ATOM 0 HE22 GLN A 933 10.398 -9.653 -34.648 1.00 5.21 H new ATOM 373 N LEU A 934 11.064 -7.208 -29.281 1.00 71.43 N ATOM 374 CA LEU A 934 12.004 -7.942 -28.441 1.00 10.45 C ATOM 375 C LEU A 934 12.161 -7.266 -27.082 1.00 34.21 C ATOM 376 O LEU A 934 12.034 -7.908 -26.040 1.00 61.43 O ATOM 377 CB LEU A 934 13.365 -8.044 -29.132 1.00 13.30 C ATOM 378 CG LEU A 934 13.630 -9.337 -29.904 1.00 51.41 C ATOM 379 CD1 LEU A 934 12.485 -9.631 -30.861 1.00 44.14 C ATOM 380 CD2 LEU A 934 14.949 -9.246 -30.658 1.00 74.51 C ATOM 0 H LEU A 934 11.498 -6.682 -30.039 1.00 71.43 H new ATOM 0 HA LEU A 934 11.607 -8.945 -28.285 1.00 10.45 H new ATOM 0 HB2 LEU A 934 13.464 -7.206 -29.822 1.00 13.30 H new ATOM 0 HB3 LEU A 934 14.143 -7.929 -28.377 1.00 13.30 H new ATOM 0 HG LEU A 934 13.699 -10.158 -29.190 1.00 51.41 H new ATOM 0 HD11 LEU A 934 12.691 -10.555 -31.402 1.00 44.14 H new ATOM 0 HD12 LEU A 934 11.558 -9.739 -30.297 1.00 44.14 H new ATOM 0 HD13 LEU A 934 12.384 -8.810 -31.571 1.00 44.14 H new ATOM 0 HD21 LEU A 934 15.122 -10.175 -31.202 1.00 74.51 H new ATOM 0 HD22 LEU A 934 14.909 -8.415 -31.362 1.00 74.51 H new ATOM 0 HD23 LEU A 934 15.762 -9.083 -29.951 1.00 74.51 H new ATOM 392 N ASN A 935 12.435 -5.966 -27.101 1.00 53.23 N ATOM 393 CA ASN A 935 12.607 -5.202 -25.871 1.00 32.54 C ATOM 394 C ASN A 935 11.409 -5.387 -24.944 1.00 54.43 C ATOM 395 O ASN A 935 11.536 -5.304 -23.722 1.00 2.41 O ATOM 396 CB ASN A 935 12.796 -3.718 -26.189 1.00 2.01 C ATOM 397 CG ASN A 935 13.704 -3.494 -27.383 1.00 54.11 C ATOM 398 OD1 ASN A 935 14.728 -4.160 -27.532 1.00 21.10 O ATOM 399 ND2 ASN A 935 13.330 -2.552 -28.241 1.00 42.31 N ATOM 0 H ASN A 935 12.543 -5.419 -27.955 1.00 53.23 H new ATOM 0 HA ASN A 935 13.497 -5.573 -25.364 1.00 32.54 H new ATOM 0 HB2 ASN A 935 11.824 -3.264 -26.385 1.00 2.01 H new ATOM 0 HB3 ASN A 935 13.214 -3.213 -25.318 1.00 2.01 H new ATOM 0 HD21 ASN A 935 13.900 -2.356 -29.064 1.00 42.31 H new ATOM 0 HD22 ASN A 935 12.473 -2.024 -28.077 1.00 42.31 H new ATOM 406 N LEU A 936 10.245 -5.637 -25.534 1.00 60.50 N ATOM 407 CA LEU A 936 9.023 -5.834 -24.762 1.00 72.53 C ATOM 408 C LEU A 936 9.002 -7.217 -24.119 1.00 31.40 C ATOM 409 O LEU A 936 8.784 -7.349 -22.915 1.00 33.34 O ATOM 410 CB LEU A 936 7.796 -5.658 -25.659 1.00 1.01 C ATOM 411 CG LEU A 936 6.511 -5.217 -24.958 1.00 55.22 C ATOM 412 CD1 LEU A 936 6.056 -6.273 -23.963 1.00 11.44 C ATOM 413 CD2 LEU A 936 6.714 -3.878 -24.263 1.00 62.44 C ATOM 0 H LEU A 936 10.122 -5.708 -26.544 1.00 60.50 H new ATOM 0 HA LEU A 936 8.998 -5.085 -23.970 1.00 72.53 H new ATOM 0 HB2 LEU A 936 8.036 -4.925 -26.429 1.00 1.01 H new ATOM 0 HB3 LEU A 936 7.603 -6.603 -26.167 1.00 1.01 H new ATOM 0 HG LEU A 936 5.732 -5.098 -25.711 1.00 55.22 H new ATOM 0 HD11 LEU A 936 5.140 -5.941 -23.474 1.00 11.44 H new ATOM 0 HD12 LEU A 936 5.869 -7.210 -24.487 1.00 11.44 H new ATOM 0 HD13 LEU A 936 6.833 -6.425 -23.214 1.00 11.44 H new ATOM 0 HD21 LEU A 936 5.789 -3.580 -23.770 1.00 62.44 H new ATOM 0 HD22 LEU A 936 7.508 -3.970 -23.521 1.00 62.44 H new ATOM 0 HD23 LEU A 936 6.991 -3.124 -25.000 1.00 62.44 H new ATOM 425 N ARG A 937 9.232 -8.245 -24.930 1.00 4.13 N ATOM 426 CA ARG A 937 9.241 -9.618 -24.439 1.00 40.14 C ATOM 427 C ARG A 937 10.415 -9.850 -23.492 1.00 54.50 C ATOM 428 O ARG A 937 10.345 -10.690 -22.594 1.00 63.24 O ATOM 429 CB ARG A 937 9.315 -10.600 -25.610 1.00 45.32 C ATOM 430 CG ARG A 937 10.729 -10.839 -26.115 1.00 71.32 C ATOM 431 CD ARG A 937 11.342 -12.082 -25.488 1.00 15.43 C ATOM 432 NE ARG A 937 10.560 -13.282 -25.774 1.00 12.42 N ATOM 433 CZ ARG A 937 10.733 -14.439 -25.145 1.00 42.22 C ATOM 434 NH1 ARG A 937 11.656 -14.552 -24.200 1.00 12.23 N ATOM 435 NH2 ARG A 937 9.982 -15.486 -25.462 1.00 23.14 N ATOM 0 H ARG A 937 9.414 -8.153 -25.929 1.00 4.13 H new ATOM 0 HA ARG A 937 8.315 -9.787 -23.889 1.00 40.14 H new ATOM 0 HB2 ARG A 937 8.882 -11.552 -25.303 1.00 45.32 H new ATOM 0 HB3 ARG A 937 8.704 -10.222 -26.430 1.00 45.32 H new ATOM 0 HG2 ARG A 937 10.716 -10.946 -27.200 1.00 71.32 H new ATOM 0 HG3 ARG A 937 11.349 -9.972 -25.888 1.00 71.32 H new ATOM 0 HD2 ARG A 937 12.357 -12.213 -25.862 1.00 15.43 H new ATOM 0 HD3 ARG A 937 11.415 -11.945 -24.409 1.00 15.43 H new ATOM 0 HE ARG A 937 9.842 -13.229 -26.496 1.00 12.42 H new ATOM 0 HH11 ARG A 937 12.235 -13.749 -23.954 1.00 12.23 H new ATOM 0 HH12 ARG A 937 11.787 -15.442 -23.719 1.00 12.23 H new ATOM 0 HH21 ARG A 937 9.271 -15.403 -26.189 1.00 23.14 H new ATOM 0 HH22 ARG A 937 10.115 -16.374 -24.979 1.00 23.14 H new ATOM 449 N LEU A 938 11.491 -9.099 -23.698 1.00 63.41 N ATOM 450 CA LEU A 938 12.681 -9.223 -22.863 1.00 1.30 C ATOM 451 C LEU A 938 12.447 -8.606 -21.488 1.00 4.52 C ATOM 452 O LEU A 938 12.757 -9.213 -20.462 1.00 3.10 O ATOM 453 CB LEU A 938 13.876 -8.549 -23.540 1.00 71.44 C ATOM 454 CG LEU A 938 14.897 -9.486 -24.186 1.00 61.53 C ATOM 455 CD1 LEU A 938 15.415 -10.493 -23.171 1.00 2.14 C ATOM 456 CD2 LEU A 938 14.284 -10.200 -25.382 1.00 62.33 C ATOM 0 H LEU A 938 11.564 -8.398 -24.435 1.00 63.41 H new ATOM 0 HA LEU A 938 12.895 -10.284 -22.734 1.00 1.30 H new ATOM 0 HB2 LEU A 938 13.499 -7.871 -24.306 1.00 71.44 H new ATOM 0 HB3 LEU A 938 14.391 -7.938 -22.799 1.00 71.44 H new ATOM 0 HG LEU A 938 15.738 -8.888 -24.536 1.00 61.53 H new ATOM 0 HD11 LEU A 938 16.140 -11.151 -23.649 1.00 2.14 H new ATOM 0 HD12 LEU A 938 15.893 -9.965 -22.346 1.00 2.14 H new ATOM 0 HD13 LEU A 938 14.584 -11.086 -22.790 1.00 2.14 H new ATOM 0 HD21 LEU A 938 15.025 -10.863 -25.829 1.00 62.33 H new ATOM 0 HD22 LEU A 938 13.424 -10.785 -25.055 1.00 62.33 H new ATOM 0 HD23 LEU A 938 13.963 -9.464 -26.120 1.00 62.33 H new ATOM 468 N LEU A 939 11.897 -7.396 -21.474 1.00 23.54 N ATOM 469 CA LEU A 939 11.619 -6.697 -20.224 1.00 22.11 C ATOM 470 C LEU A 939 10.846 -7.591 -19.260 1.00 30.21 C ATOM 471 O LEU A 939 11.250 -7.781 -18.112 1.00 71.45 O ATOM 472 CB LEU A 939 10.827 -5.418 -20.498 1.00 13.21 C ATOM 473 CG LEU A 939 11.654 -4.163 -20.780 1.00 30.13 C ATOM 474 CD1 LEU A 939 10.774 -3.059 -21.344 1.00 53.11 C ATOM 475 CD2 LEU A 939 12.357 -3.693 -19.515 1.00 4.11 C ATOM 0 H LEU A 939 11.635 -6.879 -22.314 1.00 23.54 H new ATOM 0 HA LEU A 939 12.571 -6.436 -19.763 1.00 22.11 H new ATOM 0 HB2 LEU A 939 10.172 -5.596 -21.351 1.00 13.21 H new ATOM 0 HB3 LEU A 939 10.186 -5.221 -19.639 1.00 13.21 H new ATOM 0 HG LEU A 939 12.412 -4.410 -21.523 1.00 30.13 H new ATOM 0 HD11 LEU A 939 11.380 -2.174 -21.538 1.00 53.11 H new ATOM 0 HD12 LEU A 939 10.317 -3.397 -22.274 1.00 53.11 H new ATOM 0 HD13 LEU A 939 9.993 -2.813 -20.625 1.00 53.11 H new ATOM 0 HD21 LEU A 939 12.941 -2.799 -19.734 1.00 4.11 H new ATOM 0 HD22 LEU A 939 11.615 -3.463 -18.750 1.00 4.11 H new ATOM 0 HD23 LEU A 939 13.019 -4.479 -19.153 1.00 4.11 H new ATOM 487 N LYS A 940 9.733 -8.140 -19.734 1.00 14.11 N ATOM 488 CA LYS A 940 8.903 -9.017 -18.916 1.00 63.55 C ATOM 489 C LYS A 940 9.670 -10.274 -18.517 1.00 61.34 C ATOM 490 O LYS A 940 9.353 -10.916 -17.515 1.00 44.52 O ATOM 491 CB LYS A 940 7.631 -9.403 -19.674 1.00 51.44 C ATOM 492 CG LYS A 940 6.827 -8.209 -20.160 1.00 1.32 C ATOM 493 CD LYS A 940 5.601 -7.972 -19.293 1.00 64.35 C ATOM 494 CE LYS A 940 5.239 -6.496 -19.232 1.00 33.41 C ATOM 495 NZ LYS A 940 4.289 -6.205 -18.123 1.00 13.42 N ATOM 0 H LYS A 940 9.384 -7.993 -20.681 1.00 14.11 H new ATOM 0 HA LYS A 940 8.629 -8.476 -18.010 1.00 63.55 H new ATOM 0 HB2 LYS A 940 7.902 -10.021 -20.530 1.00 51.44 H new ATOM 0 HB3 LYS A 940 7.003 -10.014 -19.026 1.00 51.44 H new ATOM 0 HG2 LYS A 940 7.456 -7.319 -20.154 1.00 1.32 H new ATOM 0 HG3 LYS A 940 6.518 -8.373 -21.192 1.00 1.32 H new ATOM 0 HD2 LYS A 940 4.758 -8.538 -19.690 1.00 64.35 H new ATOM 0 HD3 LYS A 940 5.789 -8.344 -18.286 1.00 64.35 H new ATOM 0 HE2 LYS A 940 6.145 -5.905 -19.099 1.00 33.41 H new ATOM 0 HE3 LYS A 940 4.796 -6.191 -20.180 1.00 33.41 H new ATOM 0 HZ1 LYS A 940 4.066 -5.189 -18.114 1.00 13.42 H new ATOM 0 HZ2 LYS A 940 3.414 -6.750 -18.263 1.00 13.42 H new ATOM 0 HZ3 LYS A 940 4.722 -6.472 -17.216 1.00 13.42 H new ATOM 509 N LYS A 941 10.681 -10.621 -19.307 1.00 1.31 N ATOM 510 CA LYS A 941 11.496 -11.799 -19.035 1.00 74.12 C ATOM 511 C LYS A 941 12.450 -11.544 -17.873 1.00 65.43 C ATOM 512 O LYS A 941 12.631 -12.400 -17.006 1.00 42.12 O ATOM 513 CB LYS A 941 12.288 -12.195 -20.283 1.00 21.40 C ATOM 514 CG LYS A 941 12.912 -13.577 -20.194 1.00 32.51 C ATOM 515 CD LYS A 941 14.427 -13.513 -20.295 1.00 75.31 C ATOM 516 CE LYS A 941 15.092 -14.459 -19.307 1.00 33.02 C ATOM 517 NZ LYS A 941 14.848 -14.048 -17.896 1.00 61.43 N ATOM 0 H LYS A 941 10.955 -10.102 -20.141 1.00 1.31 H new ATOM 0 HA LYS A 941 10.829 -12.617 -18.761 1.00 74.12 H new ATOM 0 HB2 LYS A 941 11.627 -12.159 -21.149 1.00 21.40 H new ATOM 0 HB3 LYS A 941 13.075 -11.460 -20.452 1.00 21.40 H new ATOM 0 HG2 LYS A 941 12.629 -14.045 -19.251 1.00 32.51 H new ATOM 0 HG3 LYS A 941 12.520 -14.206 -20.993 1.00 32.51 H new ATOM 0 HD2 LYS A 941 14.736 -13.768 -21.309 1.00 75.31 H new ATOM 0 HD3 LYS A 941 14.763 -12.493 -20.106 1.00 75.31 H new ATOM 0 HE2 LYS A 941 14.714 -15.470 -19.461 1.00 33.02 H new ATOM 0 HE3 LYS A 941 16.165 -14.487 -19.497 1.00 33.02 H new ATOM 0 HZ1 LYS A 941 14.790 -14.893 -17.293 1.00 61.43 H new ATOM 0 HZ2 LYS A 941 15.629 -13.443 -17.571 1.00 61.43 H new ATOM 0 HZ3 LYS A 941 13.954 -13.520 -17.838 1.00 61.43 H new ATOM 531 N HIS A 942 13.059 -10.362 -17.861 1.00 74.41 N ATOM 532 CA HIS A 942 13.994 -9.995 -16.804 1.00 14.53 C ATOM 533 C HIS A 942 13.292 -9.189 -15.715 1.00 3.55 C ATOM 534 O HIS A 942 13.922 -8.743 -14.756 1.00 71.21 O ATOM 535 CB HIS A 942 15.158 -9.189 -17.381 1.00 12.10 C ATOM 536 CG HIS A 942 15.888 -9.896 -18.481 1.00 51.32 C ATOM 537 ND1 HIS A 942 16.742 -10.955 -18.258 1.00 71.25 N ATOM 538 CD2 HIS A 942 15.887 -9.690 -19.819 1.00 74.31 C ATOM 539 CE1 HIS A 942 17.236 -11.370 -19.412 1.00 15.15 C ATOM 540 NE2 HIS A 942 16.732 -10.619 -20.375 1.00 31.15 N ATOM 0 H HIS A 942 12.922 -9.643 -18.571 1.00 74.41 H new ATOM 0 HA HIS A 942 14.382 -10.912 -16.361 1.00 14.53 H new ATOM 0 HB2 HIS A 942 14.780 -8.239 -17.759 1.00 12.10 H new ATOM 0 HB3 HIS A 942 15.860 -8.957 -16.581 1.00 12.10 H new ATOM 0 HD1 HIS A 942 16.959 -11.356 -17.345 1.00 71.25 H new ATOM 0 HD2 HIS A 942 15.326 -8.935 -20.350 1.00 74.31 H new ATOM 0 HE1 HIS A 942 17.933 -12.184 -19.545 1.00 15.15 H new ATOM 548 N ASN A 943 11.985 -9.005 -15.870 1.00 2.30 N ATOM 549 CA ASN A 943 11.199 -8.251 -14.900 1.00 53.02 C ATOM 550 C ASN A 943 11.614 -6.783 -14.886 1.00 24.11 C ATOM 551 O ASN A 943 12.097 -6.274 -13.874 1.00 52.52 O ATOM 552 CB ASN A 943 11.361 -8.852 -13.503 1.00 23.32 C ATOM 553 CG ASN A 943 10.149 -8.610 -12.624 1.00 60.15 C ATOM 554 OD1 ASN A 943 9.020 -8.544 -13.110 1.00 72.04 O ATOM 555 ND2 ASN A 943 10.379 -8.476 -11.323 1.00 75.14 N ATOM 0 H ASN A 943 11.448 -9.367 -16.658 1.00 2.30 H new ATOM 0 HA ASN A 943 10.151 -8.311 -15.194 1.00 53.02 H new ATOM 0 HB2 ASN A 943 11.535 -9.925 -13.590 1.00 23.32 H new ATOM 0 HB3 ASN A 943 12.243 -8.424 -13.027 1.00 23.32 H new ATOM 0 HD21 ASN A 943 9.603 -8.311 -10.682 1.00 75.14 H new ATOM 0 HD22 ASN A 943 11.332 -8.538 -10.965 1.00 75.14 H new ATOM 562 N TYR A 944 11.423 -6.109 -16.014 1.00 44.04 N ATOM 563 CA TYR A 944 11.780 -4.700 -16.133 1.00 31.12 C ATOM 564 C TYR A 944 13.268 -4.490 -15.868 1.00 34.54 C ATOM 565 O TYR A 944 13.653 -3.636 -15.071 1.00 50.33 O ATOM 566 CB TYR A 944 10.953 -3.860 -15.158 1.00 4.30 C ATOM 567 CG TYR A 944 9.587 -3.487 -15.688 1.00 30.25 C ATOM 568 CD1 TYR A 944 8.744 -4.449 -16.230 1.00 22.41 C ATOM 569 CD2 TYR A 944 9.138 -2.173 -15.644 1.00 44.25 C ATOM 570 CE1 TYR A 944 7.495 -4.113 -16.715 1.00 64.35 C ATOM 571 CE2 TYR A 944 7.890 -1.828 -16.126 1.00 45.24 C ATOM 572 CZ TYR A 944 7.073 -2.801 -16.661 1.00 70.44 C ATOM 573 OH TYR A 944 5.829 -2.463 -17.143 1.00 1.22 O ATOM 0 H TYR A 944 11.023 -6.515 -16.860 1.00 44.04 H new ATOM 0 HA TYR A 944 11.563 -4.381 -17.152 1.00 31.12 H new ATOM 0 HB2 TYR A 944 10.833 -4.413 -14.226 1.00 4.30 H new ATOM 0 HB3 TYR A 944 11.502 -2.949 -14.920 1.00 4.30 H new ATOM 0 HD1 TYR A 944 9.071 -5.477 -16.273 1.00 22.41 H new ATOM 0 HD2 TYR A 944 9.775 -1.408 -15.226 1.00 44.25 H new ATOM 0 HE1 TYR A 944 6.853 -4.873 -17.134 1.00 64.35 H new ATOM 0 HE2 TYR A 944 7.556 -0.802 -16.084 1.00 45.24 H new ATOM 0 HH TYR A 944 5.685 -1.500 -17.030 1.00 1.22 H new ATOM 583 N ASN A 945 14.099 -5.278 -16.543 1.00 11.24 N ATOM 584 CA ASN A 945 15.545 -5.180 -16.381 1.00 40.41 C ATOM 585 C ASN A 945 16.218 -4.838 -17.707 1.00 4.53 C ATOM 586 O ASN A 945 16.719 -5.719 -18.406 1.00 21.13 O ATOM 587 CB ASN A 945 16.108 -6.493 -15.834 1.00 4.41 C ATOM 588 CG ASN A 945 17.243 -6.271 -14.852 1.00 52.43 C ATOM 589 OD1 ASN A 945 18.032 -5.337 -14.999 1.00 71.13 O ATOM 590 ND2 ASN A 945 17.329 -7.130 -13.844 1.00 22.40 N ATOM 0 H ASN A 945 13.796 -5.991 -17.207 1.00 11.24 H new ATOM 0 HA ASN A 945 15.753 -4.380 -15.671 1.00 40.41 H new ATOM 0 HB2 ASN A 945 15.310 -7.051 -15.343 1.00 4.41 H new ATOM 0 HB3 ASN A 945 16.463 -7.106 -16.662 1.00 4.41 H new ATOM 0 HD21 ASN A 945 18.071 -7.031 -13.151 1.00 22.40 H new ATOM 0 HD22 ASN A 945 16.653 -7.889 -13.762 1.00 22.40 H new ATOM 597 N ILE A 946 16.227 -3.553 -18.045 1.00 50.25 N ATOM 598 CA ILE A 946 16.840 -3.094 -19.286 1.00 22.32 C ATOM 599 C ILE A 946 18.273 -3.600 -19.410 1.00 64.11 C ATOM 600 O ILE A 946 18.723 -3.963 -20.498 1.00 4.41 O ATOM 601 CB ILE A 946 16.840 -1.557 -19.379 1.00 63.12 C ATOM 602 CG1 ILE A 946 17.524 -1.103 -20.671 1.00 12.15 C ATOM 603 CG2 ILE A 946 17.532 -0.953 -18.166 1.00 40.24 C ATOM 604 CD1 ILE A 946 16.849 -1.615 -21.924 1.00 22.12 C ATOM 0 H ILE A 946 15.817 -2.811 -17.477 1.00 50.25 H new ATOM 0 HA ILE A 946 16.242 -3.499 -20.103 1.00 22.32 H new ATOM 0 HB ILE A 946 15.807 -1.208 -19.395 1.00 63.12 H new ATOM 0 HG12 ILE A 946 17.544 -0.014 -20.698 1.00 12.15 H new ATOM 0 HG13 ILE A 946 18.560 -1.441 -20.662 1.00 12.15 H new ATOM 0 HG21 ILE A 946 17.524 0.134 -18.246 1.00 40.24 H new ATOM 0 HG22 ILE A 946 17.006 -1.254 -17.260 1.00 40.24 H new ATOM 0 HG23 ILE A 946 18.562 -1.306 -18.122 1.00 40.24 H new ATOM 0 HD11 ILE A 946 17.387 -1.254 -22.801 1.00 22.12 H new ATOM 0 HD12 ILE A 946 16.852 -2.705 -21.919 1.00 22.12 H new ATOM 0 HD13 ILE A 946 15.821 -1.255 -21.956 1.00 22.12 H new ATOM 616 N LEU A 947 18.986 -3.624 -18.289 1.00 52.41 N ATOM 617 CA LEU A 947 20.369 -4.087 -18.271 1.00 71.22 C ATOM 618 C LEU A 947 20.485 -5.477 -18.888 1.00 63.24 C ATOM 619 O LEU A 947 21.305 -5.704 -19.778 1.00 74.31 O ATOM 620 CB LEU A 947 20.902 -4.107 -16.838 1.00 3.14 C ATOM 621 CG LEU A 947 20.750 -2.807 -16.047 1.00 32.12 C ATOM 622 CD1 LEU A 947 21.183 -3.007 -14.603 1.00 12.03 C ATOM 623 CD2 LEU A 947 21.553 -1.690 -16.697 1.00 24.13 C ATOM 0 H LEU A 947 18.629 -3.328 -17.381 1.00 52.41 H new ATOM 0 HA LEU A 947 20.966 -3.395 -18.864 1.00 71.22 H new ATOM 0 HB2 LEU A 947 20.393 -4.902 -16.293 1.00 3.14 H new ATOM 0 HB3 LEU A 947 21.960 -4.369 -16.869 1.00 3.14 H new ATOM 0 HG LEU A 947 19.698 -2.522 -16.053 1.00 32.12 H new ATOM 0 HD11 LEU A 947 21.068 -2.071 -14.056 1.00 12.03 H new ATOM 0 HD12 LEU A 947 20.564 -3.776 -14.141 1.00 12.03 H new ATOM 0 HD13 LEU A 947 22.228 -3.317 -14.576 1.00 12.03 H new ATOM 0 HD21 LEU A 947 21.433 -0.773 -16.121 1.00 24.13 H new ATOM 0 HD22 LEU A 947 22.607 -1.967 -16.723 1.00 24.13 H new ATOM 0 HD23 LEU A 947 21.195 -1.529 -17.714 1.00 24.13 H new ATOM 635 N GLN A 948 19.659 -6.402 -18.411 1.00 32.10 N ATOM 636 CA GLN A 948 19.669 -7.769 -18.917 1.00 73.45 C ATOM 637 C GLN A 948 19.054 -7.838 -20.312 1.00 0.14 C ATOM 638 O GLN A 948 19.448 -8.664 -21.135 1.00 50.22 O ATOM 639 CB GLN A 948 18.908 -8.694 -17.966 1.00 13.24 C ATOM 640 CG GLN A 948 19.486 -8.729 -16.560 1.00 54.00 C ATOM 641 CD GLN A 948 20.806 -9.470 -16.490 1.00 63.04 C ATOM 642 OE1 GLN A 948 21.298 -9.982 -17.497 1.00 32.25 O ATOM 643 NE2 GLN A 948 21.389 -9.531 -15.299 1.00 1.12 N ATOM 0 H GLN A 948 18.974 -6.230 -17.675 1.00 32.10 H new ATOM 0 HA GLN A 948 20.706 -8.098 -18.980 1.00 73.45 H new ATOM 0 HB2 GLN A 948 17.868 -8.372 -17.914 1.00 13.24 H new ATOM 0 HB3 GLN A 948 18.910 -9.704 -18.376 1.00 13.24 H new ATOM 0 HG2 GLN A 948 19.627 -7.709 -16.204 1.00 54.00 H new ATOM 0 HG3 GLN A 948 18.771 -9.205 -15.889 1.00 54.00 H new ATOM 0 HE21 GLN A 948 20.946 -9.093 -14.491 1.00 1.12 H new ATOM 0 HE22 GLN A 948 22.280 -10.016 -15.191 1.00 1.12 H new ATOM 652 N VAL A 949 18.086 -6.965 -20.570 1.00 14.35 N ATOM 653 CA VAL A 949 17.417 -6.925 -21.864 1.00 75.54 C ATOM 654 C VAL A 949 18.404 -6.615 -22.984 1.00 13.11 C ATOM 655 O VAL A 949 18.556 -7.393 -23.926 1.00 22.15 O ATOM 656 CB VAL A 949 16.290 -5.875 -21.882 1.00 72.54 C ATOM 657 CG1 VAL A 949 15.674 -5.777 -23.270 1.00 11.43 C ATOM 658 CG2 VAL A 949 15.231 -6.212 -20.843 1.00 24.41 C ATOM 0 H VAL A 949 17.747 -6.275 -19.899 1.00 14.35 H new ATOM 0 HA VAL A 949 16.985 -7.912 -22.027 1.00 75.54 H new ATOM 0 HB VAL A 949 16.717 -4.904 -21.630 1.00 72.54 H new ATOM 0 HG11 VAL A 949 14.880 -5.031 -23.264 1.00 11.43 H new ATOM 0 HG12 VAL A 949 16.440 -5.486 -23.988 1.00 11.43 H new ATOM 0 HG13 VAL A 949 15.260 -6.745 -23.554 1.00 11.43 H new ATOM 0 HG21 VAL A 949 14.443 -5.460 -20.870 1.00 24.41 H new ATOM 0 HG22 VAL A 949 14.806 -7.191 -21.062 1.00 24.41 H new ATOM 0 HG23 VAL A 949 15.685 -6.227 -19.852 1.00 24.41 H new ATOM 668 N VAL A 950 19.073 -5.472 -22.875 1.00 3.32 N ATOM 669 CA VAL A 950 20.048 -5.058 -23.877 1.00 70.01 C ATOM 670 C VAL A 950 21.123 -6.121 -24.069 1.00 65.25 C ATOM 671 O VAL A 950 21.412 -6.533 -25.194 1.00 2.32 O ATOM 672 CB VAL A 950 20.720 -3.727 -23.490 1.00 64.43 C ATOM 673 CG1 VAL A 950 21.768 -3.338 -24.523 1.00 33.45 C ATOM 674 CG2 VAL A 950 19.679 -2.630 -23.336 1.00 13.42 C ATOM 0 H VAL A 950 18.958 -4.816 -22.103 1.00 3.32 H new ATOM 0 HA VAL A 950 19.504 -4.923 -24.812 1.00 70.01 H new ATOM 0 HB VAL A 950 21.221 -3.858 -22.531 1.00 64.43 H new ATOM 0 HG11 VAL A 950 22.232 -2.395 -24.233 1.00 33.45 H new ATOM 0 HG12 VAL A 950 22.530 -4.116 -24.579 1.00 33.45 H new ATOM 0 HG13 VAL A 950 21.293 -3.224 -25.498 1.00 33.45 H new ATOM 0 HG21 VAL A 950 20.171 -1.697 -23.062 1.00 13.42 H new ATOM 0 HG22 VAL A 950 19.148 -2.497 -24.279 1.00 13.42 H new ATOM 0 HG23 VAL A 950 18.970 -2.908 -22.556 1.00 13.42 H new ATOM 684 N THR A 951 21.715 -6.564 -22.964 1.00 73.11 N ATOM 685 CA THR A 951 22.759 -7.579 -23.010 1.00 62.43 C ATOM 686 C THR A 951 22.275 -8.834 -23.728 1.00 21.12 C ATOM 687 O THR A 951 23.057 -9.531 -24.374 1.00 51.31 O ATOM 688 CB THR A 951 23.234 -7.962 -21.596 1.00 0.33 C ATOM 689 OG1 THR A 951 23.777 -6.814 -20.934 1.00 44.34 O ATOM 690 CG2 THR A 951 24.283 -9.062 -21.656 1.00 34.22 C ATOM 0 H THR A 951 21.488 -6.235 -22.026 1.00 73.11 H new ATOM 0 HA THR A 951 23.594 -7.147 -23.561 1.00 62.43 H new ATOM 0 HB THR A 951 22.375 -8.332 -21.036 1.00 0.33 H new ATOM 0 HG1 THR A 951 23.059 -6.331 -20.475 1.00 44.34 H new ATOM 0 HG21 THR A 951 24.603 -9.315 -20.645 1.00 34.22 H new ATOM 0 HG22 THR A 951 23.858 -9.945 -22.134 1.00 34.22 H new ATOM 0 HG23 THR A 951 25.141 -8.715 -22.232 1.00 34.22 H new ATOM 698 N GLU A 952 20.981 -9.116 -23.610 1.00 42.31 N ATOM 699 CA GLU A 952 20.394 -10.288 -24.249 1.00 11.25 C ATOM 700 C GLU A 952 20.371 -10.127 -25.766 1.00 11.42 C ATOM 701 O GLU A 952 20.927 -10.947 -26.497 1.00 74.23 O ATOM 702 CB GLU A 952 18.974 -10.522 -23.728 1.00 23.21 C ATOM 703 CG GLU A 952 18.458 -11.928 -23.981 1.00 33.50 C ATOM 704 CD GLU A 952 18.756 -12.875 -22.834 1.00 51.32 C ATOM 705 OE1 GLU A 952 18.771 -12.415 -21.673 1.00 53.04 O ATOM 706 OE2 GLU A 952 18.974 -14.076 -23.098 1.00 42.34 O ATOM 0 H GLU A 952 20.320 -8.549 -23.078 1.00 42.31 H new ATOM 0 HA GLU A 952 21.011 -11.152 -24.003 1.00 11.25 H new ATOM 0 HB2 GLU A 952 18.952 -10.323 -22.657 1.00 23.21 H new ATOM 0 HB3 GLU A 952 18.300 -9.806 -24.199 1.00 23.21 H new ATOM 0 HG2 GLU A 952 17.381 -11.891 -24.146 1.00 33.50 H new ATOM 0 HG3 GLU A 952 18.908 -12.317 -24.894 1.00 33.50 H new ATOM 713 N LEU A 953 19.724 -9.064 -26.232 1.00 71.30 N ATOM 714 CA LEU A 953 19.627 -8.794 -27.662 1.00 70.34 C ATOM 715 C LEU A 953 21.007 -8.799 -28.312 1.00 70.22 C ATOM 716 O LEU A 953 21.178 -9.291 -29.429 1.00 15.52 O ATOM 717 CB LEU A 953 18.943 -7.447 -27.902 1.00 34.40 C ATOM 718 CG LEU A 953 17.415 -7.474 -27.972 1.00 44.44 C ATOM 719 CD1 LEU A 953 16.840 -8.243 -26.794 1.00 12.24 C ATOM 720 CD2 LEU A 953 16.859 -6.058 -28.011 1.00 11.23 C ATOM 0 H LEU A 953 19.259 -8.375 -25.640 1.00 71.30 H new ATOM 0 HA LEU A 953 19.029 -9.584 -28.116 1.00 70.34 H new ATOM 0 HB2 LEU A 953 19.238 -6.765 -27.105 1.00 34.40 H new ATOM 0 HB3 LEU A 953 19.322 -7.030 -28.835 1.00 34.40 H new ATOM 0 HG LEU A 953 17.121 -7.984 -28.889 1.00 44.44 H new ATOM 0 HD11 LEU A 953 15.752 -8.251 -26.861 1.00 12.24 H new ATOM 0 HD12 LEU A 953 17.213 -9.267 -26.811 1.00 12.24 H new ATOM 0 HD13 LEU A 953 17.142 -7.763 -25.863 1.00 12.24 H new ATOM 0 HD21 LEU A 953 15.771 -6.096 -28.061 1.00 11.23 H new ATOM 0 HD22 LEU A 953 17.163 -5.523 -27.111 1.00 11.23 H new ATOM 0 HD23 LEU A 953 17.245 -5.540 -28.889 1.00 11.23 H new ATOM 732 N LEU A 954 21.990 -8.251 -27.606 1.00 34.53 N ATOM 733 CA LEU A 954 23.356 -8.194 -28.112 1.00 64.54 C ATOM 734 C LEU A 954 23.914 -9.597 -28.334 1.00 1.23 C ATOM 735 O LEU A 954 24.223 -9.981 -29.461 1.00 45.43 O ATOM 736 CB LEU A 954 24.251 -7.425 -27.138 1.00 73.44 C ATOM 737 CG LEU A 954 25.450 -6.704 -27.755 1.00 30.33 C ATOM 738 CD1 LEU A 954 24.987 -5.658 -28.756 1.00 14.51 C ATOM 739 CD2 LEU A 954 26.304 -6.066 -26.669 1.00 52.41 C ATOM 0 H LEU A 954 21.866 -7.840 -26.681 1.00 34.53 H new ATOM 0 HA LEU A 954 23.341 -7.673 -29.069 1.00 64.54 H new ATOM 0 HB2 LEU A 954 23.639 -6.689 -26.617 1.00 73.44 H new ATOM 0 HB3 LEU A 954 24.620 -8.123 -26.386 1.00 73.44 H new ATOM 0 HG LEU A 954 26.059 -7.437 -28.284 1.00 30.33 H new ATOM 0 HD11 LEU A 954 25.854 -5.155 -29.184 1.00 14.51 H new ATOM 0 HD12 LEU A 954 24.418 -6.141 -29.550 1.00 14.51 H new ATOM 0 HD13 LEU A 954 24.356 -4.926 -28.252 1.00 14.51 H new ATOM 0 HD21 LEU A 954 27.153 -5.557 -27.126 1.00 52.41 H new ATOM 0 HD22 LEU A 954 25.706 -5.345 -26.112 1.00 52.41 H new ATOM 0 HD23 LEU A 954 26.666 -6.838 -25.990 1.00 52.41 H new