USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 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 37:sc= 0.0649 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.19 F(o=-0.71,f=-0.19) 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 X(o=0,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.94! C(o=-5.9!,f=-8!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ -120:sc= 0.583 (180deg=-0.92) USER MOD Single : A 942 HIS : no HE2:sc= -5.08! C(o=-5.1!,f=-6.8!) USER MOD Single : A 943 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.27) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN :FLIP amide:sc= -0.0657 F(o=-0.86,f=-0.066) USER MOD Single : A 948 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 951 THR OG1 : rot 87:sc= 0.887 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 9.720 2.853 -19.127 1.00 70.10 N ATOM 115 CA THR A 917 10.043 1.839 -20.123 1.00 4.03 C ATOM 116 C THR A 917 10.422 2.477 -21.454 1.00 51.13 C ATOM 117 O THR A 917 11.290 1.977 -22.169 1.00 20.34 O ATOM 118 CB THR A 917 8.864 0.874 -20.346 1.00 14.13 C ATOM 119 OG1 THR A 917 8.520 0.228 -19.115 1.00 31.20 O ATOM 120 CG2 THR A 917 9.211 -0.172 -21.394 1.00 72.01 C ATOM 0 HA THR A 917 10.894 1.277 -19.737 1.00 4.03 H new ATOM 0 HB THR A 917 8.012 1.453 -20.702 1.00 14.13 H new ATOM 0 HG1 THR A 917 8.623 0.861 -18.374 1.00 31.20 H new ATOM 0 HG21 THR A 917 8.363 -0.842 -21.534 1.00 72.01 H new ATOM 0 HG22 THR A 917 9.443 0.322 -22.338 1.00 72.01 H new ATOM 0 HG23 THR A 917 10.076 -0.746 -21.062 1.00 72.01 H new ATOM 128 N ALA A 918 9.765 3.585 -21.782 1.00 4.20 N ATOM 129 CA ALA A 918 10.036 4.293 -23.027 1.00 55.31 C ATOM 130 C ALA A 918 11.495 4.727 -23.106 1.00 43.23 C ATOM 131 O ALA A 918 12.082 4.769 -24.187 1.00 43.10 O ATOM 132 CB ALA A 918 9.117 5.499 -23.159 1.00 33.13 C ATOM 0 H ALA A 918 9.042 4.011 -21.203 1.00 4.20 H new ATOM 0 HA ALA A 918 9.842 3.610 -23.854 1.00 55.31 H new ATOM 0 HB1 ALA A 918 9.330 6.018 -24.093 1.00 33.13 H new ATOM 0 HB2 ALA A 918 8.079 5.167 -23.157 1.00 33.13 H new ATOM 0 HB3 ALA A 918 9.283 6.176 -22.321 1.00 33.13 H new ATOM 138 N ALA A 919 12.075 5.050 -21.955 1.00 22.21 N ATOM 139 CA ALA A 919 13.467 5.479 -21.894 1.00 52.34 C ATOM 140 C ALA A 919 14.414 4.298 -22.075 1.00 2.14 C ATOM 141 O ALA A 919 15.460 4.420 -22.715 1.00 34.53 O ATOM 142 CB ALA A 919 13.745 6.185 -20.575 1.00 75.41 C ATOM 0 H ALA A 919 11.602 5.023 -21.052 1.00 22.21 H new ATOM 0 HA ALA A 919 13.642 6.179 -22.711 1.00 52.34 H new ATOM 0 HB1 ALA A 919 14.788 6.500 -20.544 1.00 75.41 H new ATOM 0 HB2 ALA A 919 13.100 7.059 -20.487 1.00 75.41 H new ATOM 0 HB3 ALA A 919 13.547 5.503 -19.748 1.00 75.41 H new ATOM 148 N LEU A 920 14.043 3.156 -21.506 1.00 42.13 N ATOM 149 CA LEU A 920 14.861 1.952 -21.604 1.00 32.12 C ATOM 150 C LEU A 920 14.839 1.392 -23.023 1.00 11.24 C ATOM 151 O LEU A 920 15.830 0.839 -23.497 1.00 62.23 O ATOM 152 CB LEU A 920 14.364 0.893 -20.618 1.00 10.11 C ATOM 153 CG LEU A 920 13.998 1.396 -19.221 1.00 72.01 C ATOM 154 CD1 LEU A 920 13.478 0.254 -18.362 1.00 30.11 C ATOM 155 CD2 LEU A 920 15.198 2.059 -18.561 1.00 63.41 C ATOM 0 H LEU A 920 13.182 3.039 -20.972 1.00 42.13 H new ATOM 0 HA LEU A 920 15.888 2.219 -21.355 1.00 32.12 H new ATOM 0 HB2 LEU A 920 13.488 0.407 -21.048 1.00 10.11 H new ATOM 0 HB3 LEU A 920 15.135 0.129 -20.517 1.00 10.11 H new ATOM 0 HG LEU A 920 13.207 2.139 -19.319 1.00 72.01 H new ATOM 0 HD11 LEU A 920 13.223 0.631 -17.372 1.00 30.11 H new ATOM 0 HD12 LEU A 920 12.591 -0.176 -18.827 1.00 30.11 H new ATOM 0 HD13 LEU A 920 14.248 -0.513 -18.271 1.00 30.11 H new ATOM 0 HD21 LEU A 920 14.919 2.411 -17.568 1.00 63.41 H new ATOM 0 HD22 LEU A 920 16.011 1.338 -18.475 1.00 63.41 H new ATOM 0 HD23 LEU A 920 15.525 2.904 -19.166 1.00 63.41 H new ATOM 167 N MET A 921 13.702 1.542 -23.695 1.00 3.31 N ATOM 168 CA MET A 921 13.553 1.055 -25.061 1.00 71.31 C ATOM 169 C MET A 921 14.477 1.809 -26.012 1.00 23.34 C ATOM 170 O MET A 921 14.976 1.245 -26.985 1.00 30.50 O ATOM 171 CB MET A 921 12.101 1.200 -25.521 1.00 70.51 C ATOM 172 CG MET A 921 11.168 0.159 -24.924 1.00 15.24 C ATOM 173 SD MET A 921 9.711 -0.135 -25.944 1.00 54.35 S ATOM 174 CE MET A 921 8.865 1.437 -25.788 1.00 62.53 C ATOM 0 H MET A 921 12.871 1.997 -23.316 1.00 3.31 H new ATOM 0 HA MET A 921 13.828 0.000 -25.076 1.00 71.31 H new ATOM 0 HB2 MET A 921 11.741 2.194 -25.254 1.00 70.51 H new ATOM 0 HB3 MET A 921 12.064 1.129 -26.608 1.00 70.51 H new ATOM 0 HG2 MET A 921 11.711 -0.777 -24.794 1.00 15.24 H new ATOM 0 HG3 MET A 921 10.853 0.485 -23.933 1.00 15.24 H new ATOM 0 HE1 MET A 921 7.941 1.412 -26.366 1.00 62.53 H new ATOM 0 HE2 MET A 921 8.632 1.623 -24.739 1.00 62.53 H new ATOM 0 HE3 MET A 921 9.506 2.234 -26.164 1.00 62.53 H new ATOM 184 N ALA A 922 14.701 3.086 -25.723 1.00 1.52 N ATOM 185 CA ALA A 922 15.567 3.917 -26.551 1.00 71.41 C ATOM 186 C ALA A 922 17.026 3.497 -26.412 1.00 44.20 C ATOM 187 O ALA A 922 17.826 3.681 -27.330 1.00 51.15 O ATOM 188 CB ALA A 922 15.400 5.384 -26.184 1.00 30.30 C ATOM 0 H ALA A 922 14.295 3.568 -24.921 1.00 1.52 H new ATOM 0 HA ALA A 922 15.274 3.780 -27.592 1.00 71.41 H new ATOM 0 HB1 ALA A 922 16.053 5.992 -26.810 1.00 30.30 H new ATOM 0 HB2 ALA A 922 14.364 5.683 -26.342 1.00 30.30 H new ATOM 0 HB3 ALA A 922 15.664 5.529 -25.136 1.00 30.30 H new ATOM 194 N HIS A 923 17.368 2.933 -25.258 1.00 11.43 N ATOM 195 CA HIS A 923 18.732 2.488 -24.999 1.00 25.13 C ATOM 196 C HIS A 923 19.145 1.400 -25.985 1.00 63.04 C ATOM 197 O HIS A 923 20.297 1.345 -26.420 1.00 13.44 O ATOM 198 CB HIS A 923 18.858 1.968 -23.566 1.00 45.13 C ATOM 199 CG HIS A 923 18.700 3.034 -22.526 1.00 72.02 C ATOM 200 ND1 HIS A 923 18.452 2.945 -21.198 1.00 60.43 N flip ATOM 201 CD2 HIS A 923 18.792 4.381 -22.808 1.00 51.45 C flip ATOM 202 CE1 HIS A 923 18.401 4.227 -20.707 1.00 4.11 C flip ATOM 203 NE2 HIS A 923 18.609 5.074 -21.699 1.00 74.24 N flip ATOM 0 H HIS A 923 16.719 2.773 -24.487 1.00 11.43 H new ATOM 0 HA HIS A 923 19.397 3.342 -25.128 1.00 25.13 H new ATOM 0 HB2 HIS A 923 18.106 1.196 -23.401 1.00 45.13 H new ATOM 0 HB3 HIS A 923 19.832 1.495 -23.444 1.00 45.13 H new ATOM 0 HD2 HIS A 923 18.984 4.803 -23.783 1.00 51.45 H new ATOM 0 HE1 HIS A 923 18.220 4.498 -19.677 1.00 4.11 H new ATOM 0 HE2 HIS A 923 18.625 6.091 -21.622 1.00 74.24 H new ATOM 211 N LEU A 924 18.199 0.535 -26.335 1.00 43.40 N ATOM 212 CA LEU A 924 18.465 -0.552 -27.270 1.00 74.33 C ATOM 213 C LEU A 924 18.491 -0.041 -28.707 1.00 51.31 C ATOM 214 O LEU A 924 19.376 -0.394 -29.487 1.00 11.12 O ATOM 215 CB LEU A 924 17.405 -1.646 -27.126 1.00 13.34 C ATOM 216 CG LEU A 924 17.138 -2.137 -25.702 1.00 75.35 C ATOM 217 CD1 LEU A 924 15.743 -1.731 -25.250 1.00 64.35 C ATOM 218 CD2 LEU A 924 17.309 -3.647 -25.619 1.00 32.02 C ATOM 0 H LEU A 924 17.241 0.566 -25.985 1.00 43.40 H new ATOM 0 HA LEU A 924 19.444 -0.969 -27.034 1.00 74.33 H new ATOM 0 HB2 LEU A 924 16.469 -1.274 -27.543 1.00 13.34 H new ATOM 0 HB3 LEU A 924 17.707 -2.500 -27.733 1.00 13.34 H new ATOM 0 HG LEU A 924 17.863 -1.671 -25.035 1.00 75.35 H new ATOM 0 HD11 LEU A 924 15.571 -2.089 -24.235 1.00 64.35 H new ATOM 0 HD12 LEU A 924 15.655 -0.645 -25.272 1.00 64.35 H new ATOM 0 HD13 LEU A 924 15.002 -2.168 -25.919 1.00 64.35 H new ATOM 0 HD21 LEU A 924 17.115 -3.980 -24.599 1.00 32.02 H new ATOM 0 HD22 LEU A 924 16.607 -4.131 -26.298 1.00 32.02 H new ATOM 0 HD23 LEU A 924 18.328 -3.914 -25.900 1.00 32.02 H new ATOM 230 N PHE A 925 17.516 0.795 -29.050 1.00 62.22 N ATOM 231 CA PHE A 925 17.428 1.357 -30.393 1.00 20.50 C ATOM 232 C PHE A 925 18.712 2.096 -30.759 1.00 13.05 C ATOM 233 O PHE A 925 19.071 2.194 -31.931 1.00 70.53 O ATOM 234 CB PHE A 925 16.233 2.306 -30.494 1.00 54.20 C ATOM 235 CG PHE A 925 14.926 1.667 -30.118 1.00 41.45 C ATOM 236 CD1 PHE A 925 14.669 0.345 -30.441 1.00 75.21 C ATOM 237 CD2 PHE A 925 13.956 2.389 -29.442 1.00 51.34 C ATOM 238 CE1 PHE A 925 13.467 -0.245 -30.097 1.00 71.14 C ATOM 239 CE2 PHE A 925 12.752 1.805 -29.096 1.00 23.34 C ATOM 240 CZ PHE A 925 12.508 0.485 -29.423 1.00 1.33 C ATOM 0 H PHE A 925 16.776 1.098 -28.417 1.00 62.22 H new ATOM 0 HA PHE A 925 17.291 0.535 -31.096 1.00 20.50 H new ATOM 0 HB2 PHE A 925 16.407 3.166 -29.848 1.00 54.20 H new ATOM 0 HB3 PHE A 925 16.164 2.683 -31.514 1.00 54.20 H new ATOM 0 HD1 PHE A 925 15.416 -0.231 -30.967 1.00 75.21 H new ATOM 0 HD2 PHE A 925 14.143 3.421 -29.182 1.00 51.34 H new ATOM 0 HE1 PHE A 925 13.278 -1.276 -30.355 1.00 71.14 H new ATOM 0 HE2 PHE A 925 12.003 2.380 -28.571 1.00 23.34 H new ATOM 0 HZ PHE A 925 11.569 0.025 -29.152 1.00 1.33 H new ATOM 250 N GLU A 926 19.398 2.615 -29.745 1.00 54.40 N ATOM 251 CA GLU A 926 20.640 3.347 -29.960 1.00 3.30 C ATOM 252 C GLU A 926 21.729 2.424 -30.500 1.00 51.31 C ATOM 253 O GLU A 926 22.673 2.874 -31.149 1.00 53.12 O ATOM 254 CB GLU A 926 21.108 3.997 -28.656 1.00 32.22 C ATOM 255 CG GLU A 926 20.427 5.322 -28.358 1.00 3.22 C ATOM 256 CD GLU A 926 20.792 5.871 -26.992 1.00 53.00 C ATOM 257 OE1 GLU A 926 21.376 5.118 -26.186 1.00 25.20 O ATOM 258 OE2 GLU A 926 20.492 7.055 -26.730 1.00 32.33 O ATOM 0 H GLU A 926 19.115 2.542 -28.768 1.00 54.40 H new ATOM 0 HA GLU A 926 20.449 4.126 -30.698 1.00 3.30 H new ATOM 0 HB2 GLU A 926 20.923 3.310 -27.831 1.00 32.22 H new ATOM 0 HB3 GLU A 926 22.185 4.155 -28.705 1.00 32.22 H new ATOM 0 HG2 GLU A 926 20.703 6.048 -29.123 1.00 3.22 H new ATOM 0 HG3 GLU A 926 19.346 5.192 -28.416 1.00 3.22 H new ATOM 265 N MET A 927 21.590 1.131 -30.226 1.00 53.31 N ATOM 266 CA MET A 927 22.561 0.145 -30.685 1.00 34.42 C ATOM 267 C MET A 927 22.282 -0.262 -32.128 1.00 41.24 C ATOM 268 O MET A 927 23.204 -0.429 -32.925 1.00 64.12 O ATOM 269 CB MET A 927 22.532 -1.089 -29.781 1.00 33.33 C ATOM 270 CG MET A 927 23.251 -0.889 -28.456 1.00 74.34 C ATOM 271 SD MET A 927 25.042 -1.020 -28.612 1.00 42.21 S ATOM 272 CE MET A 927 25.553 -0.690 -26.927 1.00 63.24 C ATOM 0 H MET A 927 20.815 0.742 -29.689 1.00 53.31 H new ATOM 0 HA MET A 927 23.551 0.598 -30.639 1.00 34.42 H new ATOM 0 HB2 MET A 927 21.495 -1.361 -29.585 1.00 33.33 H new ATOM 0 HB3 MET A 927 22.987 -1.927 -30.309 1.00 33.33 H new ATOM 0 HG2 MET A 927 22.996 0.091 -28.053 1.00 74.34 H new ATOM 0 HG3 MET A 927 22.897 -1.630 -27.739 1.00 74.34 H new ATOM 0 HE1 MET A 927 26.640 -0.735 -26.861 1.00 63.24 H new ATOM 0 HE2 MET A 927 25.213 0.302 -26.631 1.00 63.24 H new ATOM 0 HE3 MET A 927 25.118 -1.436 -26.262 1.00 63.24 H new ATOM 282 N GLY A 928 21.004 -0.419 -32.458 1.00 73.43 N ATOM 283 CA GLY A 928 20.627 -0.805 -33.806 1.00 24.43 C ATOM 284 C GLY A 928 19.802 -2.076 -33.836 1.00 34.24 C ATOM 285 O GLY A 928 19.845 -2.831 -34.808 1.00 14.54 O ATOM 0 H GLY A 928 20.222 -0.286 -31.816 1.00 73.43 H new ATOM 0 HA2 GLY A 928 20.060 0.004 -34.267 1.00 24.43 H new ATOM 0 HA3 GLY A 928 21.527 -0.945 -34.405 1.00 24.43 H new ATOM 289 N PHE A 929 19.048 -2.316 -32.767 1.00 42.53 N ATOM 290 CA PHE A 929 18.211 -3.506 -32.674 1.00 13.44 C ATOM 291 C PHE A 929 16.900 -3.309 -33.429 1.00 15.20 C ATOM 292 O PHE A 929 16.574 -4.073 -34.338 1.00 73.21 O ATOM 293 CB PHE A 929 17.923 -3.839 -31.208 1.00 40.42 C ATOM 294 CG PHE A 929 19.132 -4.311 -30.452 1.00 71.44 C ATOM 295 CD1 PHE A 929 19.767 -5.492 -30.804 1.00 1.41 C ATOM 296 CD2 PHE A 929 19.633 -3.575 -29.391 1.00 63.50 C ATOM 297 CE1 PHE A 929 20.879 -5.929 -30.110 1.00 21.24 C ATOM 298 CE2 PHE A 929 20.745 -4.008 -28.693 1.00 44.12 C ATOM 299 CZ PHE A 929 21.370 -5.186 -29.054 1.00 14.12 C ATOM 0 H PHE A 929 19.000 -1.702 -31.954 1.00 42.53 H new ATOM 0 HA PHE A 929 18.751 -4.336 -33.129 1.00 13.44 H new ATOM 0 HB2 PHE A 929 17.519 -2.955 -30.715 1.00 40.42 H new ATOM 0 HB3 PHE A 929 17.153 -4.609 -31.163 1.00 40.42 H new ATOM 0 HD1 PHE A 929 19.389 -6.077 -31.629 1.00 1.41 H new ATOM 0 HD2 PHE A 929 19.149 -2.652 -29.106 1.00 63.50 H new ATOM 0 HE1 PHE A 929 21.364 -6.851 -30.393 1.00 21.24 H new ATOM 0 HE2 PHE A 929 21.125 -3.426 -27.866 1.00 44.12 H new ATOM 0 HZ PHE A 929 22.240 -5.525 -28.512 1.00 14.12 H new ATOM 309 N CYS A 930 16.152 -2.280 -33.046 1.00 11.02 N ATOM 310 CA CYS A 930 14.875 -1.982 -33.685 1.00 61.52 C ATOM 311 C CYS A 930 13.881 -3.119 -33.470 1.00 23.21 C ATOM 312 O CYS A 930 13.313 -3.649 -34.425 1.00 33.44 O ATOM 313 CB CYS A 930 15.075 -1.740 -35.182 1.00 31.20 C ATOM 314 SG CYS A 930 16.410 -0.584 -35.571 1.00 33.31 S ATOM 0 H CYS A 930 16.408 -1.638 -32.296 1.00 11.02 H new ATOM 0 HA CYS A 930 14.470 -1.079 -33.229 1.00 61.52 H new ATOM 0 HB2 CYS A 930 15.281 -2.693 -35.669 1.00 31.20 H new ATOM 0 HB3 CYS A 930 14.145 -1.360 -35.605 1.00 31.20 H new ATOM 0 HG CYS A 930 16.503 -0.446 -36.860 1.00 33.31 H new ATOM 320 N ASP A 931 13.678 -3.490 -32.210 1.00 41.44 N ATOM 321 CA ASP A 931 12.753 -4.564 -31.869 1.00 63.32 C ATOM 322 C ASP A 931 11.949 -4.213 -30.621 1.00 72.35 C ATOM 323 O ASP A 931 12.254 -4.678 -29.523 1.00 43.40 O ATOM 324 CB ASP A 931 13.516 -5.871 -31.648 1.00 61.42 C ATOM 325 CG ASP A 931 14.413 -6.223 -32.819 1.00 32.51 C ATOM 326 OD1 ASP A 931 13.891 -6.363 -33.945 1.00 42.13 O ATOM 327 OD2 ASP A 931 15.636 -6.359 -32.609 1.00 1.30 O ATOM 0 H ASP A 931 14.142 -3.063 -31.408 1.00 41.44 H new ATOM 0 HA ASP A 931 12.061 -4.692 -32.701 1.00 63.32 H new ATOM 0 HB2 ASP A 931 14.119 -5.788 -30.744 1.00 61.42 H new ATOM 0 HB3 ASP A 931 12.805 -6.680 -31.483 1.00 61.42 H new ATOM 332 N ARG A 932 10.921 -3.390 -30.799 1.00 34.12 N ATOM 333 CA ARG A 932 10.074 -2.975 -29.687 1.00 52.10 C ATOM 334 C ARG A 932 9.374 -4.176 -29.058 1.00 64.51 C ATOM 335 O ARG A 932 9.067 -4.173 -27.867 1.00 31.35 O ATOM 336 CB ARG A 932 9.035 -1.957 -30.162 1.00 33.52 C ATOM 337 CG ARG A 932 8.224 -2.428 -31.358 1.00 35.31 C ATOM 338 CD ARG A 932 6.760 -2.035 -31.228 1.00 62.30 C ATOM 339 NE ARG A 932 6.445 -0.837 -32.001 1.00 13.12 N ATOM 340 CZ ARG A 932 5.341 -0.119 -31.826 1.00 33.22 C ATOM 341 NH1 ARG A 932 4.452 -0.477 -30.909 1.00 51.32 N ATOM 342 NH2 ARG A 932 5.124 0.959 -32.568 1.00 44.21 N ATOM 0 H ARG A 932 10.654 -2.998 -31.702 1.00 34.12 H new ATOM 0 HA ARG A 932 10.710 -2.511 -28.933 1.00 52.10 H new ATOM 0 HB2 ARG A 932 8.356 -1.732 -29.339 1.00 33.52 H new ATOM 0 HB3 ARG A 932 9.541 -1.027 -30.421 1.00 33.52 H new ATOM 0 HG2 ARG A 932 8.637 -1.999 -32.271 1.00 35.31 H new ATOM 0 HG3 ARG A 932 8.304 -3.511 -31.450 1.00 35.31 H new ATOM 0 HD2 ARG A 932 6.132 -2.860 -31.565 1.00 62.30 H new ATOM 0 HD3 ARG A 932 6.523 -1.862 -30.178 1.00 62.30 H new ATOM 0 HE ARG A 932 7.109 -0.535 -32.714 1.00 13.12 H new ATOM 0 HH11 ARG A 932 4.615 -1.305 -30.336 1.00 51.32 H new ATOM 0 HH12 ARG A 932 3.605 0.076 -30.776 1.00 51.32 H new ATOM 0 HH21 ARG A 932 5.805 1.238 -33.274 1.00 44.21 H new ATOM 0 HH22 ARG A 932 4.276 1.509 -32.432 1.00 44.21 H new ATOM 356 N GLN A 933 9.126 -5.201 -29.868 1.00 4.12 N ATOM 357 CA GLN A 933 8.462 -6.408 -29.390 1.00 43.03 C ATOM 358 C GLN A 933 9.386 -7.216 -28.485 1.00 1.43 C ATOM 359 O GLN A 933 8.934 -7.872 -27.545 1.00 40.23 O ATOM 360 CB GLN A 933 8.008 -7.267 -30.572 1.00 1.12 C ATOM 361 CG GLN A 933 9.124 -8.096 -31.186 1.00 5.11 C ATOM 362 CD GLN A 933 8.743 -8.683 -32.531 1.00 5.13 C ATOM 363 OE1 GLN A 933 8.764 -7.993 -33.550 1.00 53.14 O ATOM 364 NE2 GLN A 933 8.393 -9.964 -32.540 1.00 44.21 N ATOM 0 H GLN A 933 9.375 -5.219 -30.857 1.00 4.12 H new ATOM 0 HA GLN A 933 7.589 -6.107 -28.811 1.00 43.03 H new ATOM 0 HB2 GLN A 933 7.212 -7.934 -30.241 1.00 1.12 H new ATOM 0 HB3 GLN A 933 7.584 -6.619 -31.339 1.00 1.12 H new ATOM 0 HG2 GLN A 933 10.011 -7.474 -31.304 1.00 5.11 H new ATOM 0 HG3 GLN A 933 9.389 -8.903 -30.504 1.00 5.11 H new ATOM 0 HE21 GLN A 933 8.390 -10.498 -31.671 1.00 44.21 H new ATOM 0 HE22 GLN A 933 8.127 -10.414 -33.416 1.00 44.21 H new ATOM 373 N LEU A 934 10.682 -7.164 -28.773 1.00 11.13 N ATOM 374 CA LEU A 934 11.671 -7.891 -27.984 1.00 74.22 C ATOM 375 C LEU A 934 11.933 -7.187 -26.657 1.00 24.21 C ATOM 376 O LEU A 934 11.863 -7.801 -25.593 1.00 65.11 O ATOM 377 CB LEU A 934 12.976 -8.029 -28.769 1.00 24.02 C ATOM 378 CG LEU A 934 13.174 -9.348 -29.517 1.00 1.11 C ATOM 379 CD1 LEU A 934 11.970 -9.648 -30.396 1.00 63.33 C ATOM 380 CD2 LEU A 934 14.447 -9.303 -30.349 1.00 62.33 C ATOM 0 H LEU A 934 11.073 -6.626 -29.547 1.00 11.13 H new ATOM 0 HA LEU A 934 11.274 -8.884 -27.774 1.00 74.22 H new ATOM 0 HB2 LEU A 934 13.030 -7.214 -29.490 1.00 24.02 H new ATOM 0 HB3 LEU A 934 13.808 -7.898 -28.077 1.00 24.02 H new ATOM 0 HG LEU A 934 13.271 -10.149 -28.784 1.00 1.11 H new ATOM 0 HD11 LEU A 934 12.128 -10.590 -30.921 1.00 63.33 H new ATOM 0 HD12 LEU A 934 11.077 -9.724 -29.776 1.00 63.33 H new ATOM 0 HD13 LEU A 934 11.841 -8.846 -31.122 1.00 63.33 H new ATOM 0 HD21 LEU A 934 14.572 -10.250 -30.874 1.00 62.33 H new ATOM 0 HD22 LEU A 934 14.379 -8.492 -31.074 1.00 62.33 H new ATOM 0 HD23 LEU A 934 15.303 -9.135 -29.695 1.00 62.33 H new ATOM 392 N ASN A 935 12.234 -5.895 -26.728 1.00 11.51 N ATOM 393 CA ASN A 935 12.505 -5.106 -25.531 1.00 65.14 C ATOM 394 C ASN A 935 11.367 -5.237 -24.524 1.00 41.50 C ATOM 395 O ASN A 935 11.578 -5.131 -23.315 1.00 40.11 O ATOM 396 CB ASN A 935 12.709 -3.635 -25.900 1.00 62.10 C ATOM 397 CG ASN A 935 13.574 -3.463 -27.134 1.00 55.31 C ATOM 398 OD1 ASN A 935 14.601 -4.125 -27.284 1.00 15.13 O ATOM 399 ND2 ASN A 935 13.160 -2.569 -28.025 1.00 64.24 N ATOM 0 H ASN A 935 12.297 -5.372 -27.601 1.00 11.51 H new ATOM 0 HA ASN A 935 13.417 -5.488 -25.073 1.00 65.14 H new ATOM 0 HB2 ASN A 935 11.739 -3.168 -26.072 1.00 62.10 H new ATOM 0 HB3 ASN A 935 13.170 -3.113 -25.061 1.00 62.10 H new ATOM 0 HD21 ASN A 935 13.700 -2.409 -28.875 1.00 64.24 H new ATOM 0 HD22 ASN A 935 12.302 -2.043 -27.859 1.00 64.24 H new ATOM 406 N LEU A 936 10.161 -5.467 -25.030 1.00 34.32 N ATOM 407 CA LEU A 936 8.988 -5.613 -24.175 1.00 33.32 C ATOM 408 C LEU A 936 8.985 -6.972 -23.482 1.00 75.20 C ATOM 409 O LEU A 936 8.837 -7.058 -22.263 1.00 20.12 O ATOM 410 CB LEU A 936 7.709 -5.444 -24.997 1.00 33.13 C ATOM 411 CG LEU A 936 6.480 -4.951 -24.232 1.00 72.01 C ATOM 412 CD1 LEU A 936 6.071 -5.961 -23.171 1.00 13.41 C ATOM 413 CD2 LEU A 936 6.753 -3.593 -23.602 1.00 22.22 C ATOM 0 H LEU A 936 9.969 -5.556 -26.028 1.00 34.32 H new ATOM 0 HA LEU A 936 9.027 -4.836 -23.411 1.00 33.32 H new ATOM 0 HB2 LEU A 936 7.912 -4.745 -25.808 1.00 33.13 H new ATOM 0 HB3 LEU A 936 7.466 -6.403 -25.456 1.00 33.13 H new ATOM 0 HG LEU A 936 5.656 -4.843 -24.937 1.00 72.01 H new ATOM 0 HD11 LEU A 936 5.195 -5.593 -22.637 1.00 13.41 H new ATOM 0 HD12 LEU A 936 5.833 -6.912 -23.647 1.00 13.41 H new ATOM 0 HD13 LEU A 936 6.892 -6.102 -22.468 1.00 13.41 H new ATOM 0 HD21 LEU A 936 5.868 -3.258 -23.062 1.00 22.22 H new ATOM 0 HD22 LEU A 936 7.591 -3.675 -22.910 1.00 22.22 H new ATOM 0 HD23 LEU A 936 6.996 -2.872 -24.383 1.00 22.22 H new ATOM 425 N ARG A 937 9.150 -8.031 -24.267 1.00 63.45 N ATOM 426 CA ARG A 937 9.168 -9.386 -23.729 1.00 74.34 C ATOM 427 C ARG A 937 10.404 -9.612 -22.864 1.00 12.33 C ATOM 428 O ARG A 937 10.385 -10.419 -21.934 1.00 31.32 O ATOM 429 CB ARG A 937 9.134 -10.410 -24.866 1.00 43.40 C ATOM 430 CG ARG A 937 10.501 -10.700 -25.465 1.00 0.24 C ATOM 431 CD ARG A 937 11.132 -11.934 -24.840 1.00 3.05 C ATOM 432 NE ARG A 937 10.304 -13.123 -25.019 1.00 72.11 N ATOM 433 CZ ARG A 937 10.521 -14.272 -24.389 1.00 61.21 C ATOM 434 NH1 ARG A 937 11.535 -14.387 -23.543 1.00 0.55 N ATOM 435 NH2 ARG A 937 9.723 -15.310 -24.605 1.00 52.01 N ATOM 0 H ARG A 937 9.273 -7.977 -25.278 1.00 63.45 H new ATOM 0 HA ARG A 937 8.282 -9.514 -23.107 1.00 74.34 H new ATOM 0 HB2 ARG A 937 8.705 -11.340 -24.493 1.00 43.40 H new ATOM 0 HB3 ARG A 937 8.472 -10.046 -25.652 1.00 43.40 H new ATOM 0 HG2 ARG A 937 10.405 -10.845 -26.541 1.00 0.24 H new ATOM 0 HG3 ARG A 937 11.155 -9.841 -25.316 1.00 0.24 H new ATOM 0 HD2 ARG A 937 12.112 -12.105 -25.285 1.00 3.05 H new ATOM 0 HD3 ARG A 937 11.291 -11.760 -23.776 1.00 3.05 H new ATOM 0 HE ARG A 937 9.515 -13.068 -25.663 1.00 72.11 H new ATOM 0 HH11 ARG A 937 12.151 -13.592 -23.374 1.00 0.55 H new ATOM 0 HH12 ARG A 937 11.699 -15.271 -23.061 1.00 0.55 H new ATOM 0 HH21 ARG A 937 8.942 -15.226 -25.256 1.00 52.01 H new ATOM 0 HH22 ARG A 937 9.891 -16.192 -24.121 1.00 52.01 H new ATOM 449 N LEU A 938 11.477 -8.894 -23.176 1.00 11.44 N ATOM 450 CA LEU A 938 12.723 -9.015 -22.427 1.00 30.22 C ATOM 451 C LEU A 938 12.606 -8.344 -21.062 1.00 51.22 C ATOM 452 O LEU A 938 12.965 -8.927 -20.038 1.00 72.24 O ATOM 453 CB LEU A 938 13.878 -8.395 -23.216 1.00 14.04 C ATOM 454 CG LEU A 938 14.826 -9.378 -23.902 1.00 22.41 C ATOM 455 CD1 LEU A 938 15.409 -10.353 -22.890 1.00 12.32 C ATOM 456 CD2 LEU A 938 14.105 -10.128 -25.013 1.00 22.04 C ATOM 0 H LEU A 938 11.509 -8.222 -23.943 1.00 11.44 H new ATOM 0 HA LEU A 938 12.924 -10.075 -22.274 1.00 30.22 H new ATOM 0 HB2 LEU A 938 13.459 -7.735 -23.976 1.00 14.04 H new ATOM 0 HB3 LEU A 938 14.461 -7.772 -22.538 1.00 14.04 H new ATOM 0 HG LEU A 938 15.646 -8.812 -24.345 1.00 22.41 H new ATOM 0 HD11 LEU A 938 16.081 -11.045 -23.397 1.00 12.32 H new ATOM 0 HD12 LEU A 938 15.962 -9.801 -22.130 1.00 12.32 H new ATOM 0 HD13 LEU A 938 14.602 -10.912 -22.417 1.00 12.32 H new ATOM 0 HD21 LEU A 938 14.796 -10.823 -25.490 1.00 22.04 H new ATOM 0 HD22 LEU A 938 13.265 -10.681 -24.593 1.00 22.04 H new ATOM 0 HD23 LEU A 938 13.737 -9.417 -25.753 1.00 22.04 H new ATOM 468 N LEU A 939 12.100 -7.116 -21.054 1.00 53.45 N ATOM 469 CA LEU A 939 11.932 -6.365 -19.815 1.00 5.30 C ATOM 470 C LEU A 939 11.197 -7.197 -18.769 1.00 43.12 C ATOM 471 O LEU A 939 11.663 -7.347 -17.640 1.00 24.44 O ATOM 472 CB LEU A 939 11.167 -5.067 -20.081 1.00 22.21 C ATOM 473 CG LEU A 939 12.015 -3.856 -20.470 1.00 1.41 C ATOM 474 CD1 LEU A 939 11.142 -2.762 -21.065 1.00 71.13 C ATOM 475 CD2 LEU A 939 12.781 -3.332 -19.264 1.00 42.40 C ATOM 0 H LEU A 939 11.799 -6.619 -21.892 1.00 53.45 H new ATOM 0 HA LEU A 939 12.922 -6.123 -19.429 1.00 5.30 H new ATOM 0 HB2 LEU A 939 10.445 -5.251 -20.877 1.00 22.21 H new ATOM 0 HB3 LEU A 939 10.598 -4.814 -19.186 1.00 22.21 H new ATOM 0 HG LEU A 939 12.736 -4.169 -21.226 1.00 1.41 H new ATOM 0 HD11 LEU A 939 11.763 -1.908 -21.336 1.00 71.13 H new ATOM 0 HD12 LEU A 939 10.639 -3.141 -21.954 1.00 71.13 H new ATOM 0 HD13 LEU A 939 10.398 -2.451 -20.332 1.00 71.13 H new ATOM 0 HD21 LEU A 939 13.379 -2.470 -19.559 1.00 42.40 H new ATOM 0 HD22 LEU A 939 12.077 -3.036 -18.486 1.00 42.40 H new ATOM 0 HD23 LEU A 939 13.436 -4.114 -18.881 1.00 42.40 H new ATOM 487 N LYS A 940 10.046 -7.738 -19.153 1.00 41.34 N ATOM 488 CA LYS A 940 9.247 -8.558 -18.251 1.00 72.23 C ATOM 489 C LYS A 940 10.000 -9.824 -17.855 1.00 45.13 C ATOM 490 O LYS A 940 9.733 -10.417 -16.810 1.00 41.10 O ATOM 491 CB LYS A 940 7.916 -8.929 -18.910 1.00 63.32 C ATOM 492 CG LYS A 940 7.117 -7.728 -19.386 1.00 65.32 C ATOM 493 CD LYS A 940 5.979 -7.403 -18.434 1.00 75.43 C ATOM 494 CE LYS A 940 5.684 -5.911 -18.406 1.00 70.44 C ATOM 495 NZ LYS A 940 4.717 -5.557 -17.331 1.00 74.11 N ATOM 0 H LYS A 940 9.645 -7.623 -20.084 1.00 41.34 H new ATOM 0 HA LYS A 940 9.050 -7.977 -17.350 1.00 72.23 H new ATOM 0 HB2 LYS A 940 8.111 -9.585 -19.759 1.00 63.32 H new ATOM 0 HB3 LYS A 940 7.315 -9.497 -18.200 1.00 63.32 H new ATOM 0 HG2 LYS A 940 7.776 -6.864 -19.476 1.00 65.32 H new ATOM 0 HG3 LYS A 940 6.716 -7.927 -20.380 1.00 65.32 H new ATOM 0 HD2 LYS A 940 5.084 -7.946 -18.737 1.00 75.43 H new ATOM 0 HD3 LYS A 940 6.234 -7.743 -17.430 1.00 75.43 H new ATOM 0 HE2 LYS A 940 6.612 -5.360 -18.255 1.00 70.44 H new ATOM 0 HE3 LYS A 940 5.283 -5.602 -19.371 1.00 70.44 H new ATOM 0 HZ1 LYS A 940 4.542 -4.532 -17.345 1.00 74.11 H new ATOM 0 HZ2 LYS A 940 3.822 -6.063 -17.489 1.00 74.11 H new ATOM 0 HZ3 LYS A 940 5.110 -5.829 -16.407 1.00 74.11 H new ATOM 509 N LYS A 941 10.945 -10.232 -18.696 1.00 72.12 N ATOM 510 CA LYS A 941 11.740 -11.426 -18.433 1.00 50.34 C ATOM 511 C LYS A 941 12.782 -11.158 -17.352 1.00 34.34 C ATOM 512 O LYS A 941 12.993 -11.983 -16.462 1.00 21.11 O ATOM 513 CB LYS A 941 12.430 -11.896 -19.716 1.00 22.34 C ATOM 514 CG LYS A 941 13.064 -13.271 -19.596 1.00 22.33 C ATOM 515 CD LYS A 941 14.581 -13.192 -19.642 1.00 11.14 C ATOM 516 CE LYS A 941 15.220 -14.190 -18.688 1.00 43.32 C ATOM 517 NZ LYS A 941 14.837 -13.928 -17.273 1.00 64.40 N ATOM 0 H LYS A 941 11.179 -9.753 -19.566 1.00 72.12 H new ATOM 0 HA LYS A 941 11.069 -12.209 -18.080 1.00 50.34 H new ATOM 0 HB2 LYS A 941 11.701 -11.911 -20.526 1.00 22.34 H new ATOM 0 HB3 LYS A 941 13.198 -11.173 -19.991 1.00 22.34 H new ATOM 0 HG2 LYS A 941 12.751 -13.736 -18.661 1.00 22.33 H new ATOM 0 HG3 LYS A 941 12.707 -13.909 -20.405 1.00 22.33 H new ATOM 0 HD2 LYS A 941 14.926 -13.386 -20.658 1.00 11.14 H new ATOM 0 HD3 LYS A 941 14.902 -12.183 -19.383 1.00 11.14 H new ATOM 0 HE2 LYS A 941 14.919 -15.201 -18.965 1.00 43.32 H new ATOM 0 HE3 LYS A 941 16.305 -14.142 -18.785 1.00 43.32 H new ATOM 0 HZ1 LYS A 941 15.691 -13.735 -16.712 1.00 64.40 H new ATOM 0 HZ2 LYS A 941 14.203 -13.105 -17.232 1.00 64.40 H new ATOM 0 HZ3 LYS A 941 14.349 -14.761 -16.886 1.00 64.40 H new ATOM 531 N HIS A 942 13.429 -10.000 -17.433 1.00 71.10 N ATOM 532 CA HIS A 942 14.447 -9.623 -16.459 1.00 63.41 C ATOM 533 C HIS A 942 13.848 -8.761 -15.352 1.00 71.13 C ATOM 534 O HIS A 942 14.555 -8.311 -14.452 1.00 12.13 O ATOM 535 CB HIS A 942 15.587 -8.871 -17.147 1.00 22.43 C ATOM 536 CG HIS A 942 16.218 -9.636 -18.269 1.00 70.33 C ATOM 537 ND1 HIS A 942 17.039 -10.726 -18.070 1.00 32.13 N ATOM 538 CD2 HIS A 942 16.143 -9.464 -19.610 1.00 31.22 C ATOM 539 CE1 HIS A 942 17.443 -11.190 -19.239 1.00 32.33 C ATOM 540 NE2 HIS A 942 16.913 -10.442 -20.190 1.00 32.44 N ATOM 0 H HIS A 942 13.267 -9.306 -18.163 1.00 71.10 H new ATOM 0 HA HIS A 942 14.841 -10.535 -16.011 1.00 63.41 H new ATOM 0 HB2 HIS A 942 15.207 -7.925 -17.532 1.00 22.43 H new ATOM 0 HB3 HIS A 942 16.351 -8.630 -16.408 1.00 22.43 H new ATOM 0 HD1 HIS A 942 17.294 -11.114 -17.162 1.00 32.13 H new ATOM 0 HD2 HIS A 942 15.582 -8.700 -20.127 1.00 31.22 H new ATOM 0 HE1 HIS A 942 18.096 -12.037 -19.391 1.00 32.33 H new ATOM 548 N ASN A 943 12.540 -8.535 -15.427 1.00 44.14 N ATOM 549 CA ASN A 943 11.846 -7.725 -14.432 1.00 64.35 C ATOM 550 C ASN A 943 12.311 -6.273 -14.492 1.00 64.51 C ATOM 551 O ASN A 943 12.883 -5.754 -13.533 1.00 51.12 O ATOM 552 CB ASN A 943 12.081 -8.291 -13.030 1.00 45.34 C ATOM 553 CG ASN A 943 12.084 -9.807 -13.011 1.00 63.15 C ATOM 554 OD1 ASN A 943 11.099 -10.445 -13.383 1.00 23.42 O ATOM 555 ND2 ASN A 943 13.195 -10.391 -12.577 1.00 60.21 N ATOM 0 H ASN A 943 11.940 -8.901 -16.166 1.00 44.14 H new ATOM 0 HA ASN A 943 10.779 -7.755 -14.654 1.00 64.35 H new ATOM 0 HB2 ASN A 943 13.034 -7.924 -12.648 1.00 45.34 H new ATOM 0 HB3 ASN A 943 11.305 -7.924 -12.358 1.00 45.34 H new ATOM 0 HD21 ASN A 943 13.256 -11.409 -12.542 1.00 60.21 H new ATOM 0 HD22 ASN A 943 13.987 -9.822 -12.278 1.00 60.21 H new ATOM 562 N TYR A 944 12.062 -5.624 -15.624 1.00 22.32 N ATOM 563 CA TYR A 944 12.457 -4.233 -15.810 1.00 13.03 C ATOM 564 C TYR A 944 13.965 -4.069 -15.654 1.00 65.12 C ATOM 565 O TYR A 944 14.434 -3.206 -14.913 1.00 21.52 O ATOM 566 CB TYR A 944 11.729 -3.336 -14.807 1.00 30.33 C ATOM 567 CG TYR A 944 10.342 -2.931 -15.252 1.00 31.12 C ATOM 568 CD1 TYR A 944 9.432 -3.879 -15.706 1.00 4.42 C ATOM 569 CD2 TYR A 944 9.941 -1.601 -15.219 1.00 61.35 C ATOM 570 CE1 TYR A 944 8.164 -3.513 -16.114 1.00 63.11 C ATOM 571 CE2 TYR A 944 8.675 -1.227 -15.624 1.00 54.05 C ATOM 572 CZ TYR A 944 7.790 -2.186 -16.071 1.00 71.31 C ATOM 573 OH TYR A 944 6.528 -1.817 -16.477 1.00 31.32 O ATOM 0 H TYR A 944 11.588 -6.039 -16.427 1.00 22.32 H new ATOM 0 HA TYR A 944 12.180 -3.936 -16.822 1.00 13.03 H new ATOM 0 HB2 TYR A 944 11.657 -3.857 -13.852 1.00 30.33 H new ATOM 0 HB3 TYR A 944 12.323 -2.438 -14.637 1.00 30.33 H new ATOM 0 HD1 TYR A 944 9.721 -4.919 -15.740 1.00 4.42 H new ATOM 0 HD2 TYR A 944 10.631 -0.847 -14.871 1.00 61.35 H new ATOM 0 HE1 TYR A 944 7.469 -4.262 -16.465 1.00 63.11 H new ATOM 0 HE2 TYR A 944 8.379 -0.189 -15.591 1.00 54.05 H new ATOM 0 HH TYR A 944 6.425 -0.847 -16.383 1.00 31.32 H new ATOM 583 N ASN A 945 14.721 -4.904 -16.360 1.00 73.33 N ATOM 584 CA ASN A 945 16.177 -4.853 -16.302 1.00 20.11 C ATOM 585 C ASN A 945 16.767 -4.574 -17.681 1.00 3.03 C ATOM 586 O ASN A 945 17.189 -5.493 -18.384 1.00 11.40 O ATOM 587 CB ASN A 945 16.733 -6.169 -15.754 1.00 33.13 C ATOM 588 CG ASN A 945 17.933 -5.958 -14.851 1.00 34.44 C ATOM 589 OD1 ASN A 945 18.951 -5.282 -15.368 1.00 0.41 O flip ATOM 590 ND2 ASN A 945 17.943 -6.399 -13.701 1.00 42.15 N flip ATOM 0 H ASN A 945 14.349 -5.624 -16.979 1.00 73.33 H new ATOM 0 HA ASN A 945 16.461 -4.040 -15.634 1.00 20.11 H new ATOM 0 HB2 ASN A 945 15.951 -6.688 -15.199 1.00 33.13 H new ATOM 0 HB3 ASN A 945 17.016 -6.815 -16.585 1.00 33.13 H new ATOM 0 HD21 ASN A 945 17.137 -6.913 -13.345 1.00 42.15 H new ATOM 0 HD22 ASN A 945 18.757 -6.250 -13.105 1.00 42.15 H new ATOM 597 N ILE A 946 16.794 -3.301 -18.060 1.00 4.21 N ATOM 598 CA ILE A 946 17.334 -2.901 -19.353 1.00 45.23 C ATOM 599 C ILE A 946 18.738 -3.460 -19.560 1.00 30.22 C ATOM 600 O ILE A 946 19.100 -3.867 -20.665 1.00 12.13 O ATOM 601 CB ILE A 946 17.379 -1.368 -19.495 1.00 0.20 C ATOM 602 CG1 ILE A 946 17.973 -0.976 -20.850 1.00 34.13 C ATOM 603 CG2 ILE A 946 18.185 -0.754 -18.360 1.00 62.20 C ATOM 604 CD1 ILE A 946 17.227 -1.561 -22.028 1.00 75.43 C ATOM 0 H ILE A 946 16.448 -2.529 -17.490 1.00 4.21 H new ATOM 0 HA ILE A 946 16.667 -3.309 -20.112 1.00 45.23 H new ATOM 0 HB ILE A 946 16.361 -0.983 -19.441 1.00 0.20 H new ATOM 0 HG12 ILE A 946 17.976 0.111 -20.936 1.00 34.13 H new ATOM 0 HG13 ILE A 946 19.012 -1.302 -20.890 1.00 34.13 H new ATOM 0 HG21 ILE A 946 18.208 0.330 -18.475 1.00 62.20 H new ATOM 0 HG22 ILE A 946 17.723 -1.009 -17.406 1.00 62.20 H new ATOM 0 HG23 ILE A 946 19.203 -1.143 -18.385 1.00 62.20 H new ATOM 0 HD11 ILE A 946 17.703 -1.242 -22.955 1.00 75.43 H new ATOM 0 HD12 ILE A 946 17.246 -2.649 -21.967 1.00 75.43 H new ATOM 0 HD13 ILE A 946 16.194 -1.214 -22.013 1.00 75.43 H new ATOM 616 N LEU A 947 19.524 -3.480 -18.489 1.00 44.54 N ATOM 617 CA LEU A 947 20.889 -3.991 -18.552 1.00 21.32 C ATOM 618 C LEU A 947 20.915 -5.405 -19.124 1.00 52.13 C ATOM 619 O LEU A 947 21.663 -5.692 -20.058 1.00 61.40 O ATOM 620 CB LEU A 947 21.523 -3.981 -17.160 1.00 33.15 C ATOM 621 CG LEU A 947 21.406 -2.672 -16.379 1.00 1.34 C ATOM 622 CD1 LEU A 947 22.129 -2.779 -15.045 1.00 34.52 C ATOM 623 CD2 LEU A 947 21.960 -1.513 -17.195 1.00 14.21 C ATOM 0 H LEU A 947 19.240 -3.149 -17.567 1.00 44.54 H new ATOM 0 HA LEU A 947 21.464 -3.341 -19.211 1.00 21.32 H new ATOM 0 HB2 LEU A 947 21.067 -4.775 -16.569 1.00 33.15 H new ATOM 0 HB3 LEU A 947 22.580 -4.227 -17.262 1.00 33.15 H new ATOM 0 HG LEU A 947 20.351 -2.482 -16.183 1.00 1.34 H new ATOM 0 HD11 LEU A 947 22.035 -1.838 -14.503 1.00 34.52 H new ATOM 0 HD12 LEU A 947 21.688 -3.583 -14.455 1.00 34.52 H new ATOM 0 HD13 LEU A 947 23.183 -2.993 -15.219 1.00 34.52 H new ATOM 0 HD21 LEU A 947 21.869 -0.589 -16.624 1.00 14.21 H new ATOM 0 HD22 LEU A 947 23.010 -1.697 -17.422 1.00 14.21 H new ATOM 0 HD23 LEU A 947 21.399 -1.422 -18.125 1.00 14.21 H new ATOM 635 N GLN A 948 20.091 -6.282 -18.559 1.00 43.22 N ATOM 636 CA GLN A 948 20.019 -7.665 -19.015 1.00 41.11 C ATOM 637 C GLN A 948 19.310 -7.758 -20.362 1.00 41.22 C ATOM 638 O GLN A 948 19.620 -8.624 -21.180 1.00 73.30 O ATOM 639 CB GLN A 948 19.292 -8.527 -17.982 1.00 71.31 C ATOM 640 CG GLN A 948 19.969 -8.548 -16.621 1.00 43.33 C ATOM 641 CD GLN A 948 21.404 -9.032 -16.691 1.00 20.21 C ATOM 642 OE1 GLN A 948 21.663 -10.235 -16.750 1.00 42.55 O ATOM 643 NE2 GLN A 948 22.346 -8.097 -16.684 1.00 2.52 N ATOM 0 H GLN A 948 19.465 -6.059 -17.785 1.00 43.22 H new ATOM 0 HA GLN A 948 21.037 -8.035 -19.135 1.00 41.11 H new ATOM 0 HB2 GLN A 948 18.273 -8.158 -17.866 1.00 71.31 H new ATOM 0 HB3 GLN A 948 19.220 -9.547 -18.359 1.00 71.31 H new ATOM 0 HG2 GLN A 948 19.948 -7.546 -16.193 1.00 43.33 H new ATOM 0 HG3 GLN A 948 19.404 -9.193 -15.948 1.00 43.33 H new ATOM 0 HE21 GLN A 948 22.086 -7.112 -16.634 1.00 2.52 H new ATOM 0 HE22 GLN A 948 23.330 -8.364 -16.729 1.00 2.52 H new ATOM 652 N VAL A 949 18.356 -6.859 -20.587 1.00 24.44 N ATOM 653 CA VAL A 949 17.603 -6.839 -21.835 1.00 64.50 C ATOM 654 C VAL A 949 18.523 -6.601 -23.028 1.00 14.55 C ATOM 655 O VAL A 949 18.595 -7.420 -23.944 1.00 15.42 O ATOM 656 CB VAL A 949 16.513 -5.752 -21.815 1.00 51.14 C ATOM 657 CG1 VAL A 949 15.804 -5.682 -23.159 1.00 71.03 C ATOM 658 CG2 VAL A 949 15.520 -6.013 -20.693 1.00 23.53 C ATOM 0 H VAL A 949 18.087 -6.135 -19.921 1.00 24.44 H new ATOM 0 HA VAL A 949 17.129 -7.815 -21.935 1.00 64.50 H new ATOM 0 HB VAL A 949 16.989 -4.789 -21.631 1.00 51.14 H new ATOM 0 HG11 VAL A 949 15.037 -4.908 -23.126 1.00 71.03 H new ATOM 0 HG12 VAL A 949 16.527 -5.444 -23.940 1.00 71.03 H new ATOM 0 HG13 VAL A 949 15.340 -6.644 -23.376 1.00 71.03 H new ATOM 0 HG21 VAL A 949 14.757 -5.235 -20.694 1.00 23.53 H new ATOM 0 HG22 VAL A 949 15.048 -6.984 -20.843 1.00 23.53 H new ATOM 0 HG23 VAL A 949 16.042 -6.008 -19.736 1.00 23.53 H new ATOM 668 N VAL A 950 19.225 -5.472 -23.009 1.00 64.33 N ATOM 669 CA VAL A 950 20.142 -5.125 -24.088 1.00 64.34 C ATOM 670 C VAL A 950 21.181 -6.221 -24.301 1.00 32.11 C ATOM 671 O VAL A 950 21.443 -6.633 -25.431 1.00 61.53 O ATOM 672 CB VAL A 950 20.866 -3.796 -23.804 1.00 40.33 C ATOM 673 CG1 VAL A 950 21.862 -3.483 -24.910 1.00 43.23 C ATOM 674 CG2 VAL A 950 19.860 -2.665 -23.646 1.00 62.41 C ATOM 0 H VAL A 950 19.176 -4.783 -22.259 1.00 64.33 H new ATOM 0 HA VAL A 950 19.541 -5.017 -24.991 1.00 64.34 H new ATOM 0 HB VAL A 950 21.417 -3.895 -22.869 1.00 40.33 H new ATOM 0 HG11 VAL A 950 22.364 -2.540 -24.692 1.00 43.23 H new ATOM 0 HG12 VAL A 950 22.601 -4.282 -24.971 1.00 43.23 H new ATOM 0 HG13 VAL A 950 21.336 -3.402 -25.861 1.00 43.23 H new ATOM 0 HG21 VAL A 950 20.389 -1.733 -23.446 1.00 62.41 H new ATOM 0 HG22 VAL A 950 19.280 -2.563 -24.563 1.00 62.41 H new ATOM 0 HG23 VAL A 950 19.190 -2.888 -22.816 1.00 62.41 H new ATOM 684 N THR A 951 21.770 -6.691 -23.206 1.00 3.34 N ATOM 685 CA THR A 951 22.781 -7.739 -23.271 1.00 40.32 C ATOM 686 C THR A 951 22.225 -8.999 -23.923 1.00 73.15 C ATOM 687 O THR A 951 22.952 -9.739 -24.584 1.00 64.32 O ATOM 688 CB THR A 951 23.315 -8.092 -21.870 1.00 64.24 C ATOM 689 OG1 THR A 951 23.916 -6.939 -21.270 1.00 34.33 O ATOM 690 CG2 THR A 951 24.335 -9.218 -21.949 1.00 20.44 C ATOM 0 H THR A 951 21.564 -6.362 -22.263 1.00 3.34 H new ATOM 0 HA THR A 951 23.600 -7.351 -23.877 1.00 40.32 H new ATOM 0 HB THR A 951 22.476 -8.424 -21.258 1.00 64.24 H new ATOM 0 HG1 THR A 951 23.228 -6.413 -20.812 1.00 34.33 H new ATOM 0 HG21 THR A 951 24.699 -9.451 -20.948 1.00 20.44 H new ATOM 0 HG22 THR A 951 23.867 -10.103 -22.380 1.00 20.44 H new ATOM 0 HG23 THR A 951 25.171 -8.908 -22.576 1.00 20.44 H new ATOM 698 N GLU A 952 20.930 -9.236 -23.734 1.00 25.33 N ATOM 699 CA GLU A 952 20.278 -10.409 -24.305 1.00 14.44 C ATOM 700 C GLU A 952 20.148 -10.275 -25.819 1.00 70.52 C ATOM 701 O GLU A 952 20.623 -11.127 -26.572 1.00 33.33 O ATOM 702 CB GLU A 952 18.895 -10.605 -23.679 1.00 23.53 C ATOM 703 CG GLU A 952 18.429 -12.052 -23.675 1.00 5.24 C ATOM 704 CD GLU A 952 18.810 -12.784 -22.402 1.00 50.42 C ATOM 705 OE1 GLU A 952 19.831 -12.411 -21.787 1.00 11.21 O ATOM 706 OE2 GLU A 952 18.088 -13.729 -22.022 1.00 52.40 O ATOM 0 H GLU A 952 20.313 -8.632 -23.191 1.00 25.33 H new ATOM 0 HA GLU A 952 20.896 -11.280 -24.086 1.00 14.44 H new ATOM 0 HB2 GLU A 952 18.914 -10.235 -22.654 1.00 23.53 H new ATOM 0 HB3 GLU A 952 18.170 -10.000 -24.223 1.00 23.53 H new ATOM 0 HG2 GLU A 952 17.346 -12.081 -23.796 1.00 5.24 H new ATOM 0 HG3 GLU A 952 18.860 -12.571 -24.531 1.00 5.24 H new ATOM 713 N LEU A 953 19.502 -9.202 -26.259 1.00 54.35 N ATOM 714 CA LEU A 953 19.308 -8.956 -27.684 1.00 41.14 C ATOM 715 C LEU A 953 20.635 -9.022 -28.433 1.00 41.35 C ATOM 716 O LEU A 953 20.680 -9.389 -29.608 1.00 54.45 O ATOM 717 CB LEU A 953 18.654 -7.590 -27.902 1.00 73.51 C ATOM 718 CG LEU A 953 17.125 -7.574 -27.918 1.00 52.13 C ATOM 719 CD1 LEU A 953 16.570 -8.326 -26.718 1.00 40.34 C ATOM 720 CD2 LEU A 953 16.607 -6.143 -27.939 1.00 61.03 C ATOM 0 H LEU A 953 19.103 -8.488 -25.650 1.00 54.35 H new ATOM 0 HA LEU A 953 18.651 -9.733 -28.075 1.00 41.14 H new ATOM 0 HB2 LEU A 953 18.996 -6.916 -27.117 1.00 73.51 H new ATOM 0 HB3 LEU A 953 19.012 -7.185 -28.849 1.00 73.51 H new ATOM 0 HG LEU A 953 16.785 -8.076 -28.824 1.00 52.13 H new ATOM 0 HD11 LEU A 953 15.481 -8.304 -26.747 1.00 40.34 H new ATOM 0 HD12 LEU A 953 16.913 -9.360 -26.747 1.00 40.34 H new ATOM 0 HD13 LEU A 953 16.918 -7.854 -25.800 1.00 40.34 H new ATOM 0 HD21 LEU A 953 15.517 -6.151 -27.950 1.00 61.03 H new ATOM 0 HD22 LEU A 953 16.957 -5.616 -27.051 1.00 61.03 H new ATOM 0 HD23 LEU A 953 16.975 -5.636 -28.831 1.00 61.03 H new ATOM 732 N LEU A 954 21.715 -8.666 -27.746 1.00 32.30 N ATOM 733 CA LEU A 954 23.045 -8.687 -28.345 1.00 74.13 C ATOM 734 C LEU A 954 23.610 -10.104 -28.367 1.00 52.44 C ATOM 735 O LEU A 954 23.966 -10.623 -29.425 1.00 33.03 O ATOM 736 CB LEU A 954 23.987 -7.762 -27.574 1.00 45.54 C ATOM 737 CG LEU A 954 25.218 -7.271 -28.337 1.00 44.33 C ATOM 738 CD1 LEU A 954 24.809 -6.346 -29.473 1.00 11.53 C ATOM 739 CD2 LEU A 954 26.184 -6.567 -27.395 1.00 42.12 C ATOM 0 H LEU A 954 21.696 -8.359 -26.773 1.00 32.30 H new ATOM 0 HA LEU A 954 22.960 -8.334 -29.373 1.00 74.13 H new ATOM 0 HB2 LEU A 954 23.419 -6.893 -27.242 1.00 45.54 H new ATOM 0 HB3 LEU A 954 24.324 -8.284 -26.678 1.00 45.54 H new ATOM 0 HG LEU A 954 25.725 -8.136 -28.765 1.00 44.33 H new ATOM 0 HD11 LEU A 954 25.698 -6.007 -30.004 1.00 11.53 H new ATOM 0 HD12 LEU A 954 24.157 -6.883 -30.162 1.00 11.53 H new ATOM 0 HD13 LEU A 954 24.278 -5.485 -29.068 1.00 11.53 H new ATOM 0 HD21 LEU A 954 27.054 -6.224 -27.955 1.00 42.12 H new ATOM 0 HD22 LEU A 954 25.687 -5.712 -26.937 1.00 42.12 H new ATOM 0 HD23 LEU A 954 26.504 -7.260 -26.617 1.00 42.12 H new