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 32:sc= 0.0579 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-0.46) USER MOD Single : A 927 MET CE :methyl -163:sc= -0.0266 (180deg=-0.342) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.44! C(o=-5.4!,f=-9.6!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ -152:sc= -0.176 (180deg=-0.775) USER MOD Single : A 942 HIS : no HE2:sc= -7.64! C(o=-7.6!,f=-8.6!) USER MOD Single : A 943 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.22) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc=-0.00299 X(o=-0.003,f=-0.28) USER MOD Single : A 948 GLN : amide:sc= -0.0999 K(o=-0.1,f=-0.69) USER MOD Single : A 951 THR OG1 : rot 81:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.117 1.233 -19.343 1.00 71.11 N ATOM 115 CA THR A 917 8.702 0.424 -20.405 1.00 32.33 C ATOM 116 C THR A 917 9.071 1.281 -21.610 1.00 10.23 C ATOM 117 O THR A 917 10.094 1.054 -22.255 1.00 72.11 O ATOM 118 CB THR A 917 7.739 -0.690 -20.857 1.00 60.33 C ATOM 119 OG1 THR A 917 7.429 -1.548 -19.753 1.00 71.14 O ATOM 120 CG2 THR A 917 8.350 -1.508 -21.986 1.00 14.25 C ATOM 0 HA THR A 917 9.605 -0.030 -19.996 1.00 32.33 H new ATOM 0 HB THR A 917 6.824 -0.223 -21.221 1.00 60.33 H new ATOM 0 HG1 THR A 917 7.433 -1.027 -18.923 1.00 71.14 H new ATOM 0 HG21 THR A 917 7.652 -2.289 -22.289 1.00 14.25 H new ATOM 0 HG22 THR A 917 8.558 -0.857 -22.836 1.00 14.25 H new ATOM 0 HG23 THR A 917 9.279 -1.965 -21.643 1.00 14.25 H new ATOM 128 N ALA A 918 8.232 2.268 -21.907 1.00 71.13 N ATOM 129 CA ALA A 918 8.472 3.161 -23.034 1.00 2.43 C ATOM 130 C ALA A 918 9.854 3.799 -22.943 1.00 44.15 C ATOM 131 O ALA A 918 10.512 4.025 -23.959 1.00 75.11 O ATOM 132 CB ALA A 918 7.396 4.235 -23.094 1.00 42.42 C ATOM 0 H ALA A 918 7.380 2.469 -21.383 1.00 71.13 H new ATOM 0 HA ALA A 918 8.432 2.571 -23.949 1.00 2.43 H new ATOM 0 HB1 ALA A 918 7.587 4.895 -23.940 1.00 42.42 H new ATOM 0 HB2 ALA A 918 6.420 3.766 -23.214 1.00 42.42 H new ATOM 0 HB3 ALA A 918 7.409 4.815 -22.171 1.00 42.42 H new ATOM 138 N ALA A 919 10.289 4.088 -21.721 1.00 62.32 N ATOM 139 CA ALA A 919 11.594 4.698 -21.499 1.00 11.31 C ATOM 140 C ALA A 919 12.715 3.680 -21.679 1.00 35.24 C ATOM 141 O ALA A 919 13.759 3.985 -22.256 1.00 54.53 O ATOM 142 CB ALA A 919 11.658 5.316 -20.110 1.00 54.41 C ATOM 0 H ALA A 919 9.757 3.909 -20.870 1.00 62.32 H new ATOM 0 HA ALA A 919 11.731 5.484 -22.242 1.00 11.31 H new ATOM 0 HB1 ALA A 919 12.638 5.768 -19.958 1.00 54.41 H new ATOM 0 HB2 ALA A 919 10.887 6.081 -20.016 1.00 54.41 H new ATOM 0 HB3 ALA A 919 11.495 4.542 -19.360 1.00 54.41 H new ATOM 148 N LEU A 920 12.492 2.469 -21.180 1.00 63.30 N ATOM 149 CA LEU A 920 13.484 1.404 -21.285 1.00 42.20 C ATOM 150 C LEU A 920 13.764 1.063 -22.745 1.00 71.41 C ATOM 151 O LEU A 920 14.909 0.829 -23.129 1.00 63.44 O ATOM 152 CB LEU A 920 13.004 0.157 -20.541 1.00 12.24 C ATOM 153 CG LEU A 920 12.419 0.391 -19.147 1.00 61.02 C ATOM 154 CD1 LEU A 920 12.045 -0.932 -18.496 1.00 44.34 C ATOM 155 CD2 LEU A 920 13.405 1.156 -18.277 1.00 2.14 C ATOM 0 H LEU A 920 11.634 2.200 -20.699 1.00 63.30 H new ATOM 0 HA LEU A 920 14.409 1.757 -20.830 1.00 42.20 H new ATOM 0 HB2 LEU A 920 12.249 -0.338 -21.152 1.00 12.24 H new ATOM 0 HB3 LEU A 920 13.843 -0.533 -20.450 1.00 12.24 H new ATOM 0 HG LEU A 920 11.514 0.990 -19.249 1.00 61.02 H new ATOM 0 HD11 LEU A 920 11.631 -0.746 -17.505 1.00 44.34 H new ATOM 0 HD12 LEU A 920 11.303 -1.442 -19.110 1.00 44.34 H new ATOM 0 HD13 LEU A 920 12.933 -1.557 -18.406 1.00 44.34 H new ATOM 0 HD21 LEU A 920 12.972 1.314 -17.289 1.00 2.14 H new ATOM 0 HD22 LEU A 920 14.327 0.583 -18.182 1.00 2.14 H new ATOM 0 HD23 LEU A 920 13.623 2.120 -18.736 1.00 2.14 H new ATOM 167 N MET A 921 12.710 1.038 -23.554 1.00 52.01 N ATOM 168 CA MET A 921 12.843 0.729 -24.973 1.00 30.51 C ATOM 169 C MET A 921 13.825 1.681 -25.647 1.00 52.44 C ATOM 170 O MET A 921 14.578 1.285 -26.536 1.00 75.24 O ATOM 171 CB MET A 921 11.481 0.808 -25.664 1.00 55.12 C ATOM 172 CG MET A 921 10.424 -0.082 -25.030 1.00 2.14 C ATOM 173 SD MET A 921 10.078 -1.556 -26.009 1.00 51.40 S ATOM 174 CE MET A 921 8.483 -1.133 -26.705 1.00 15.33 C ATOM 0 H MET A 921 11.755 1.228 -23.251 1.00 52.01 H new ATOM 0 HA MET A 921 13.229 -0.286 -25.064 1.00 30.51 H new ATOM 0 HB2 MET A 921 11.133 1.841 -25.646 1.00 55.12 H new ATOM 0 HB3 MET A 921 11.598 0.530 -26.711 1.00 55.12 H new ATOM 0 HG2 MET A 921 10.755 -0.381 -24.035 1.00 2.14 H new ATOM 0 HG3 MET A 921 9.504 0.488 -24.902 1.00 2.14 H new ATOM 0 HE1 MET A 921 8.134 -1.949 -27.338 1.00 15.33 H new ATOM 0 HE2 MET A 921 7.767 -0.967 -25.900 1.00 15.33 H new ATOM 0 HE3 MET A 921 8.575 -0.225 -27.302 1.00 15.33 H new ATOM 184 N ALA A 922 13.811 2.939 -25.219 1.00 10.33 N ATOM 185 CA ALA A 922 14.701 3.948 -25.780 1.00 63.52 C ATOM 186 C ALA A 922 16.161 3.609 -25.498 1.00 42.12 C ATOM 187 O ALA A 922 17.055 3.988 -26.257 1.00 35.15 O ATOM 188 CB ALA A 922 14.359 5.322 -25.225 1.00 3.05 C ATOM 0 H ALA A 922 13.193 3.284 -24.485 1.00 10.33 H new ATOM 0 HA ALA A 922 14.560 3.961 -26.861 1.00 63.52 H new ATOM 0 HB1 ALA A 922 15.032 6.065 -25.653 1.00 3.05 H new ATOM 0 HB2 ALA A 922 13.330 5.573 -25.483 1.00 3.05 H new ATOM 0 HB3 ALA A 922 14.470 5.314 -24.141 1.00 3.05 H new ATOM 194 N HIS A 923 16.397 2.894 -24.403 1.00 2.34 N ATOM 195 CA HIS A 923 17.750 2.505 -24.020 1.00 70.15 C ATOM 196 C HIS A 923 18.333 1.512 -25.022 1.00 12.13 C ATOM 197 O HIS A 923 19.530 1.535 -25.310 1.00 2.43 O ATOM 198 CB HIS A 923 17.751 1.893 -22.619 1.00 53.51 C ATOM 199 CG HIS A 923 17.217 2.813 -21.564 1.00 44.21 C ATOM 200 ND1 HIS A 923 17.054 4.168 -21.760 1.00 0.34 N ATOM 201 CD2 HIS A 923 16.808 2.565 -20.298 1.00 53.11 C ATOM 202 CE1 HIS A 923 16.569 4.714 -20.659 1.00 13.41 C ATOM 203 NE2 HIS A 923 16.410 3.763 -19.757 1.00 34.31 N ATOM 0 H HIS A 923 15.669 2.572 -23.765 1.00 2.34 H new ATOM 0 HA HIS A 923 18.372 3.400 -24.017 1.00 70.15 H new ATOM 0 HB2 HIS A 923 17.155 0.980 -22.629 1.00 53.51 H new ATOM 0 HB3 HIS A 923 18.769 1.606 -22.358 1.00 53.51 H new ATOM 0 HD2 HIS A 923 16.797 1.604 -19.805 1.00 53.11 H new ATOM 0 HE1 HIS A 923 16.341 5.761 -20.520 1.00 13.41 H new ATOM 0 HE2 HIS A 923 16.050 3.896 -18.812 1.00 34.31 H new ATOM 211 N LEU A 924 17.480 0.641 -25.549 1.00 35.15 N ATOM 212 CA LEU A 924 17.910 -0.361 -26.517 1.00 72.25 C ATOM 213 C LEU A 924 18.089 0.259 -27.899 1.00 51.24 C ATOM 214 O LEU A 924 19.079 0.001 -28.584 1.00 3.13 O ATOM 215 CB LEU A 924 16.893 -1.502 -26.586 1.00 65.40 C ATOM 216 CG LEU A 924 16.598 -2.218 -25.268 1.00 31.05 C ATOM 217 CD1 LEU A 924 15.150 -2.000 -24.855 1.00 24.42 C ATOM 218 CD2 LEU A 924 16.903 -3.704 -25.387 1.00 74.13 C ATOM 0 H LEU A 924 16.486 0.609 -25.322 1.00 35.15 H new ATOM 0 HA LEU A 924 18.871 -0.758 -26.189 1.00 72.25 H new ATOM 0 HB2 LEU A 924 15.957 -1.104 -26.978 1.00 65.40 H new ATOM 0 HB3 LEU A 924 17.252 -2.239 -27.304 1.00 65.40 H new ATOM 0 HG LEU A 924 17.242 -1.797 -24.496 1.00 31.05 H new ATOM 0 HD11 LEU A 924 14.958 -2.517 -23.915 1.00 24.42 H new ATOM 0 HD12 LEU A 924 14.965 -0.933 -24.727 1.00 24.42 H new ATOM 0 HD13 LEU A 924 14.488 -2.393 -25.627 1.00 24.42 H new ATOM 0 HD21 LEU A 924 16.687 -4.197 -24.439 1.00 74.13 H new ATOM 0 HD22 LEU A 924 16.285 -4.140 -26.172 1.00 74.13 H new ATOM 0 HD23 LEU A 924 17.956 -3.841 -25.635 1.00 74.13 H new ATOM 230 N PHE A 925 17.125 1.080 -28.303 1.00 41.21 N ATOM 231 CA PHE A 925 17.177 1.739 -29.603 1.00 73.01 C ATOM 232 C PHE A 925 18.443 2.580 -29.737 1.00 31.13 C ATOM 233 O PHE A 925 18.944 2.794 -30.840 1.00 53.30 O ATOM 234 CB PHE A 925 15.942 2.621 -29.801 1.00 20.20 C ATOM 235 CG PHE A 925 14.645 1.879 -29.650 1.00 31.24 C ATOM 236 CD1 PHE A 925 14.496 0.604 -30.172 1.00 13.05 C ATOM 237 CD2 PHE A 925 13.574 2.456 -28.986 1.00 5.50 C ATOM 238 CE1 PHE A 925 13.304 -0.082 -30.034 1.00 15.33 C ATOM 239 CE2 PHE A 925 12.380 1.775 -28.845 1.00 2.43 C ATOM 240 CZ PHE A 925 12.244 0.505 -29.370 1.00 41.43 C ATOM 0 H PHE A 925 16.299 1.305 -27.749 1.00 41.21 H new ATOM 0 HA PHE A 925 17.192 0.967 -30.373 1.00 73.01 H new ATOM 0 HB2 PHE A 925 15.970 3.438 -29.080 1.00 20.20 H new ATOM 0 HB3 PHE A 925 15.981 3.070 -30.794 1.00 20.20 H new ATOM 0 HD1 PHE A 925 15.321 0.141 -30.693 1.00 13.05 H new ATOM 0 HD2 PHE A 925 13.674 3.449 -28.574 1.00 5.50 H new ATOM 0 HE1 PHE A 925 13.201 -1.076 -30.445 1.00 15.33 H new ATOM 0 HE2 PHE A 925 11.553 2.236 -28.324 1.00 2.43 H new ATOM 0 HZ PHE A 925 11.311 -0.028 -29.262 1.00 41.43 H new ATOM 250 N GLU A 926 18.954 3.054 -28.605 1.00 31.55 N ATOM 251 CA GLU A 926 20.161 3.872 -28.595 1.00 54.15 C ATOM 252 C GLU A 926 21.367 3.068 -29.072 1.00 51.44 C ATOM 253 O GLU A 926 22.365 3.633 -29.520 1.00 14.14 O ATOM 254 CB GLU A 926 20.422 4.419 -27.191 1.00 13.53 C ATOM 255 CG GLU A 926 19.584 5.640 -26.847 1.00 72.44 C ATOM 256 CD GLU A 926 20.210 6.933 -27.332 1.00 61.32 C ATOM 257 OE1 GLU A 926 20.253 7.146 -28.562 1.00 72.31 O ATOM 258 OE2 GLU A 926 20.658 7.731 -26.483 1.00 35.13 O ATOM 0 H GLU A 926 18.551 2.886 -27.683 1.00 31.55 H new ATOM 0 HA GLU A 926 20.009 4.707 -29.279 1.00 54.15 H new ATOM 0 HB2 GLU A 926 20.222 3.634 -26.462 1.00 13.53 H new ATOM 0 HB3 GLU A 926 21.477 4.676 -27.101 1.00 13.53 H new ATOM 0 HG2 GLU A 926 18.593 5.532 -27.289 1.00 72.44 H new ATOM 0 HG3 GLU A 926 19.448 5.690 -25.767 1.00 72.44 H new ATOM 265 N MET A 927 21.267 1.747 -28.973 1.00 31.13 N ATOM 266 CA MET A 927 22.349 0.865 -29.394 1.00 42.03 C ATOM 267 C MET A 927 22.258 0.568 -30.888 1.00 33.23 C ATOM 268 O MET A 927 23.273 0.486 -31.577 1.00 41.14 O ATOM 269 CB MET A 927 22.310 -0.441 -28.599 1.00 64.31 C ATOM 270 CG MET A 927 22.285 -0.236 -27.093 1.00 55.42 C ATOM 271 SD MET A 927 23.854 0.374 -26.448 1.00 62.14 S ATOM 272 CE MET A 927 24.881 -1.083 -26.624 1.00 31.34 C ATOM 0 H MET A 927 20.448 1.264 -28.605 1.00 31.13 H new ATOM 0 HA MET A 927 23.294 1.372 -29.199 1.00 42.03 H new ATOM 0 HB2 MET A 927 21.429 -1.010 -28.894 1.00 64.31 H new ATOM 0 HB3 MET A 927 23.181 -1.042 -28.861 1.00 64.31 H new ATOM 0 HG2 MET A 927 21.494 0.470 -26.840 1.00 55.42 H new ATOM 0 HG3 MET A 927 22.039 -1.180 -26.606 1.00 55.42 H new ATOM 0 HE1 MET A 927 25.773 -0.976 -26.007 1.00 31.34 H new ATOM 0 HE2 MET A 927 24.322 -1.963 -26.304 1.00 31.34 H new ATOM 0 HE3 MET A 927 25.173 -1.198 -27.668 1.00 31.34 H new ATOM 282 N GLY A 928 21.033 0.406 -31.381 1.00 4.42 N ATOM 283 CA GLY A 928 20.833 0.119 -32.789 1.00 51.52 C ATOM 284 C GLY A 928 20.033 -1.148 -33.014 1.00 63.44 C ATOM 285 O GLY A 928 19.916 -1.625 -34.144 1.00 3.14 O ATOM 0 H GLY A 928 20.177 0.468 -30.830 1.00 4.42 H new ATOM 0 HA2 GLY A 928 20.319 0.958 -33.258 1.00 51.52 H new ATOM 0 HA3 GLY A 928 21.802 0.025 -33.279 1.00 51.52 H new ATOM 289 N PHE A 929 19.482 -1.698 -31.937 1.00 45.01 N ATOM 290 CA PHE A 929 18.692 -2.920 -32.022 1.00 31.41 C ATOM 291 C PHE A 929 17.519 -2.744 -32.982 1.00 13.05 C ATOM 292 O PHE A 929 17.411 -3.451 -33.984 1.00 64.12 O ATOM 293 CB PHE A 929 18.177 -3.317 -30.637 1.00 20.03 C ATOM 294 CG PHE A 929 19.251 -3.834 -29.723 1.00 44.02 C ATOM 295 CD1 PHE A 929 19.963 -4.978 -30.047 1.00 4.40 C ATOM 296 CD2 PHE A 929 19.549 -3.176 -28.540 1.00 70.54 C ATOM 297 CE1 PHE A 929 20.953 -5.456 -29.209 1.00 1.22 C ATOM 298 CE2 PHE A 929 20.538 -3.650 -27.699 1.00 13.34 C ATOM 299 CZ PHE A 929 21.240 -4.791 -28.033 1.00 33.45 C ATOM 0 H PHE A 929 19.568 -1.316 -30.995 1.00 45.01 H new ATOM 0 HA PHE A 929 19.335 -3.713 -32.404 1.00 31.41 H new ATOM 0 HB2 PHE A 929 17.702 -2.452 -30.173 1.00 20.03 H new ATOM 0 HB3 PHE A 929 17.408 -4.081 -30.750 1.00 20.03 H new ATOM 0 HD1 PHE A 929 19.742 -5.502 -30.965 1.00 4.40 H new ATOM 0 HD2 PHE A 929 19.003 -2.284 -28.273 1.00 70.54 H new ATOM 0 HE1 PHE A 929 21.501 -6.348 -29.473 1.00 1.22 H new ATOM 0 HE2 PHE A 929 20.762 -3.128 -26.780 1.00 13.34 H new ATOM 0 HZ PHE A 929 22.012 -5.163 -27.376 1.00 33.45 H new ATOM 309 N CYS A 930 16.642 -1.797 -32.667 1.00 21.04 N ATOM 310 CA CYS A 930 15.475 -1.528 -33.500 1.00 3.35 C ATOM 311 C CYS A 930 14.547 -2.737 -33.543 1.00 23.32 C ATOM 312 O CYS A 930 14.014 -3.086 -34.596 1.00 41.24 O ATOM 313 CB CYS A 930 15.910 -1.152 -34.917 1.00 23.32 C ATOM 314 SG CYS A 930 14.729 -0.105 -35.798 1.00 43.43 S ATOM 0 H CYS A 930 16.717 -1.203 -31.841 1.00 21.04 H new ATOM 0 HA CYS A 930 14.931 -0.692 -33.061 1.00 3.35 H new ATOM 0 HB2 CYS A 930 16.869 -0.636 -34.866 1.00 23.32 H new ATOM 0 HB3 CYS A 930 16.069 -2.065 -35.491 1.00 23.32 H new ATOM 0 HG CYS A 930 15.186 0.161 -36.986 1.00 43.43 H new ATOM 320 N ASP A 931 14.360 -3.374 -32.392 1.00 64.42 N ATOM 321 CA ASP A 931 13.497 -4.546 -32.298 1.00 63.14 C ATOM 322 C ASP A 931 12.495 -4.393 -31.159 1.00 0.24 C ATOM 323 O ASP A 931 12.677 -4.955 -30.079 1.00 24.23 O ATOM 324 CB ASP A 931 14.336 -5.808 -32.091 1.00 33.34 C ATOM 325 CG ASP A 931 15.432 -5.952 -33.127 1.00 44.04 C ATOM 326 OD1 ASP A 931 15.124 -6.369 -34.264 1.00 2.22 O ATOM 327 OD2 ASP A 931 16.599 -5.647 -32.803 1.00 12.13 O ATOM 0 H ASP A 931 14.794 -3.098 -31.511 1.00 64.42 H new ATOM 0 HA ASP A 931 12.945 -4.636 -33.233 1.00 63.14 H new ATOM 0 HB2 ASP A 931 14.781 -5.785 -31.096 1.00 33.34 H new ATOM 0 HB3 ASP A 931 13.687 -6.683 -32.130 1.00 33.34 H new ATOM 332 N ARG A 932 11.437 -3.627 -31.406 1.00 63.35 N ATOM 333 CA ARG A 932 10.407 -3.398 -30.400 1.00 64.13 C ATOM 334 C ARG A 932 9.766 -4.714 -29.969 1.00 51.15 C ATOM 335 O ARG A 932 9.289 -4.842 -28.842 1.00 63.52 O ATOM 336 CB ARG A 932 9.336 -2.450 -30.943 1.00 5.13 C ATOM 337 CG ARG A 932 8.369 -3.113 -31.909 1.00 50.14 C ATOM 338 CD ARG A 932 9.032 -3.410 -33.245 1.00 40.33 C ATOM 339 NE ARG A 932 9.673 -2.227 -33.813 1.00 2.41 N ATOM 340 CZ ARG A 932 10.530 -2.270 -34.827 1.00 73.33 C ATOM 341 NH1 ARG A 932 10.846 -3.432 -35.383 1.00 54.10 N ATOM 342 NH2 ARG A 932 11.072 -1.150 -35.288 1.00 73.33 N ATOM 0 H ARG A 932 11.271 -3.154 -32.295 1.00 63.35 H new ATOM 0 HA ARG A 932 10.879 -2.942 -29.530 1.00 64.13 H new ATOM 0 HB2 ARG A 932 8.773 -2.034 -30.107 1.00 5.13 H new ATOM 0 HB3 ARG A 932 9.823 -1.615 -31.446 1.00 5.13 H new ATOM 0 HG2 ARG A 932 7.995 -4.040 -31.473 1.00 50.14 H new ATOM 0 HG3 ARG A 932 7.507 -2.464 -32.065 1.00 50.14 H new ATOM 0 HD2 ARG A 932 9.775 -4.197 -33.114 1.00 40.33 H new ATOM 0 HD3 ARG A 932 8.286 -3.789 -33.944 1.00 40.33 H new ATOM 0 HE ARG A 932 9.450 -1.317 -33.409 1.00 2.41 H new ATOM 0 HH11 ARG A 932 10.431 -4.295 -35.032 1.00 54.10 H new ATOM 0 HH12 ARG A 932 11.504 -3.463 -36.162 1.00 54.10 H new ATOM 0 HH21 ARG A 932 10.831 -0.254 -34.864 1.00 73.33 H new ATOM 0 HH22 ARG A 932 11.730 -1.185 -36.067 1.00 73.33 H new ATOM 356 N GLN A 933 9.758 -5.687 -30.875 1.00 10.21 N ATOM 357 CA GLN A 933 9.174 -6.992 -30.588 1.00 51.33 C ATOM 358 C GLN A 933 10.045 -7.776 -29.613 1.00 4.22 C ATOM 359 O GLN A 933 9.540 -8.531 -28.781 1.00 41.01 O ATOM 360 CB GLN A 933 8.992 -7.788 -31.882 1.00 2.13 C ATOM 361 CG GLN A 933 10.280 -8.404 -32.403 1.00 23.43 C ATOM 362 CD GLN A 933 10.142 -8.939 -33.815 1.00 2.43 C ATOM 363 OE1 GLN A 933 10.925 -8.594 -34.700 1.00 63.44 O ATOM 364 NE2 GLN A 933 9.143 -9.785 -34.032 1.00 72.44 N ATOM 0 H GLN A 933 10.149 -5.596 -31.813 1.00 10.21 H new ATOM 0 HA GLN A 933 8.199 -6.832 -30.127 1.00 51.33 H new ATOM 0 HB2 GLN A 933 8.263 -8.580 -31.712 1.00 2.13 H new ATOM 0 HB3 GLN A 933 8.577 -7.132 -32.647 1.00 2.13 H new ATOM 0 HG2 GLN A 933 11.072 -7.656 -32.378 1.00 23.43 H new ATOM 0 HG3 GLN A 933 10.585 -9.214 -31.740 1.00 23.43 H new ATOM 0 HE21 GLN A 933 8.518 -10.043 -33.268 1.00 72.44 H new ATOM 0 HE22 GLN A 933 9.000 -10.177 -34.963 1.00 72.44 H new ATOM 373 N LEU A 934 11.357 -7.592 -29.720 1.00 72.50 N ATOM 374 CA LEU A 934 12.300 -8.283 -28.847 1.00 72.12 C ATOM 375 C LEU A 934 12.325 -7.647 -27.461 1.00 33.41 C ATOM 376 O LEU A 934 12.157 -8.330 -26.451 1.00 63.03 O ATOM 377 CB LEU A 934 13.702 -8.258 -29.457 1.00 62.25 C ATOM 378 CG LEU A 934 14.129 -9.519 -30.211 1.00 11.52 C ATOM 379 CD1 LEU A 934 13.073 -9.914 -31.231 1.00 52.22 C ATOM 380 CD2 LEU A 934 15.475 -9.305 -30.889 1.00 15.14 C ATOM 0 H LEU A 934 11.791 -6.971 -30.402 1.00 72.50 H new ATOM 0 HA LEU A 934 11.973 -9.318 -28.746 1.00 72.12 H new ATOM 0 HB2 LEU A 934 13.764 -7.412 -30.141 1.00 62.25 H new ATOM 0 HB3 LEU A 934 14.421 -8.076 -28.658 1.00 62.25 H new ATOM 0 HG LEU A 934 14.232 -10.332 -29.492 1.00 11.52 H new ATOM 0 HD11 LEU A 934 13.394 -10.813 -31.758 1.00 52.22 H new ATOM 0 HD12 LEU A 934 12.130 -10.110 -30.721 1.00 52.22 H new ATOM 0 HD13 LEU A 934 12.937 -9.103 -31.947 1.00 52.22 H new ATOM 0 HD21 LEU A 934 15.763 -10.212 -31.420 1.00 15.14 H new ATOM 0 HD22 LEU A 934 15.399 -8.479 -31.596 1.00 15.14 H new ATOM 0 HD23 LEU A 934 16.228 -9.071 -30.137 1.00 15.14 H new ATOM 392 N ASN A 935 12.533 -6.335 -27.421 1.00 33.31 N ATOM 393 CA ASN A 935 12.578 -5.607 -26.158 1.00 54.33 C ATOM 394 C ASN A 935 11.326 -5.878 -25.329 1.00 22.01 C ATOM 395 O ASN A 935 11.360 -5.827 -24.099 1.00 1.44 O ATOM 396 CB ASN A 935 12.716 -4.105 -26.417 1.00 21.03 C ATOM 397 CG ASN A 935 13.700 -3.798 -27.529 1.00 24.21 C ATOM 398 OD1 ASN A 935 14.783 -4.380 -27.593 1.00 22.52 O ATOM 399 ND2 ASN A 935 13.327 -2.879 -28.412 1.00 23.21 N ATOM 0 H ASN A 935 12.673 -5.754 -28.248 1.00 33.31 H new ATOM 0 HA ASN A 935 13.446 -5.954 -25.597 1.00 54.33 H new ATOM 0 HB2 ASN A 935 11.741 -3.692 -26.675 1.00 21.03 H new ATOM 0 HB3 ASN A 935 13.040 -3.610 -25.502 1.00 21.03 H new ATOM 0 HD21 ASN A 935 13.948 -2.630 -29.182 1.00 23.21 H new ATOM 0 HD22 ASN A 935 12.420 -2.422 -28.320 1.00 23.21 H new ATOM 406 N LEU A 936 10.223 -6.167 -26.010 1.00 60.51 N ATOM 407 CA LEU A 936 8.960 -6.448 -25.337 1.00 34.01 C ATOM 408 C LEU A 936 8.951 -7.861 -24.761 1.00 42.43 C ATOM 409 O LEU A 936 8.661 -8.059 -23.582 1.00 34.14 O ATOM 410 CB LEU A 936 7.791 -6.274 -26.309 1.00 65.20 C ATOM 411 CG LEU A 936 6.449 -5.895 -25.684 1.00 14.12 C ATOM 412 CD1 LEU A 936 5.966 -6.993 -24.749 1.00 71.10 C ATOM 413 CD2 LEU A 936 6.561 -4.571 -24.941 1.00 72.35 C ATOM 0 H LEU A 936 10.178 -6.213 -27.028 1.00 60.51 H new ATOM 0 HA LEU A 936 8.850 -5.740 -24.515 1.00 34.01 H new ATOM 0 HB2 LEU A 936 8.060 -5.507 -27.036 1.00 65.20 H new ATOM 0 HB3 LEU A 936 7.662 -7.205 -26.861 1.00 65.20 H new ATOM 0 HG LEU A 936 5.718 -5.779 -26.484 1.00 14.12 H new ATOM 0 HD11 LEU A 936 5.009 -6.705 -24.313 1.00 71.10 H new ATOM 0 HD12 LEU A 936 5.846 -7.921 -25.309 1.00 71.10 H new ATOM 0 HD13 LEU A 936 6.697 -7.141 -23.954 1.00 71.10 H new ATOM 0 HD21 LEU A 936 5.596 -4.317 -24.503 1.00 72.35 H new ATOM 0 HD22 LEU A 936 7.307 -4.659 -24.151 1.00 72.35 H new ATOM 0 HD23 LEU A 936 6.861 -3.787 -25.637 1.00 72.35 H new ATOM 425 N ARG A 937 9.274 -8.838 -25.602 1.00 32.33 N ATOM 426 CA ARG A 937 9.304 -10.232 -25.176 1.00 64.42 C ATOM 427 C ARG A 937 10.412 -10.464 -24.152 1.00 71.24 C ATOM 428 O ARG A 937 10.317 -11.359 -23.312 1.00 25.44 O ATOM 429 CB ARG A 937 9.509 -11.151 -26.382 1.00 23.41 C ATOM 430 CG ARG A 937 10.944 -11.191 -26.881 1.00 4.31 C ATOM 431 CD ARG A 937 11.614 -12.515 -26.549 1.00 34.22 C ATOM 432 NE ARG A 937 12.023 -13.238 -27.750 1.00 45.30 N ATOM 433 CZ ARG A 937 11.199 -13.984 -28.476 1.00 74.00 C ATOM 434 NH1 ARG A 937 9.926 -14.105 -28.125 1.00 31.03 N ATOM 435 NH2 ARG A 937 11.646 -14.611 -29.556 1.00 44.14 N ATOM 0 H ARG A 937 9.518 -8.690 -26.581 1.00 32.33 H new ATOM 0 HA ARG A 937 8.347 -10.464 -24.709 1.00 64.42 H new ATOM 0 HB2 ARG A 937 9.198 -12.161 -26.115 1.00 23.41 H new ATOM 0 HB3 ARG A 937 8.860 -10.821 -27.194 1.00 23.41 H new ATOM 0 HG2 ARG A 937 10.959 -11.035 -27.960 1.00 4.31 H new ATOM 0 HG3 ARG A 937 11.509 -10.374 -26.433 1.00 4.31 H new ATOM 0 HD2 ARG A 937 12.486 -12.332 -25.921 1.00 34.22 H new ATOM 0 HD3 ARG A 937 10.928 -13.133 -25.970 1.00 34.22 H new ATOM 0 HE ARG A 937 12.996 -13.166 -28.048 1.00 45.30 H new ATOM 0 HH11 ARG A 937 9.578 -13.624 -27.296 1.00 31.03 H new ATOM 0 HH12 ARG A 937 9.295 -14.679 -28.685 1.00 31.03 H new ATOM 0 HH21 ARG A 937 12.624 -14.520 -29.830 1.00 44.14 H new ATOM 0 HH22 ARG A 937 11.011 -15.184 -30.113 1.00 44.14 H new ATOM 449 N LEU A 938 11.461 -9.653 -24.229 1.00 52.35 N ATOM 450 CA LEU A 938 12.587 -9.769 -23.310 1.00 24.10 C ATOM 451 C LEU A 938 12.220 -9.237 -21.928 1.00 72.44 C ATOM 452 O LEU A 938 12.453 -9.898 -20.915 1.00 53.20 O ATOM 453 CB LEU A 938 13.797 -9.009 -23.856 1.00 64.31 C ATOM 454 CG LEU A 938 14.916 -9.866 -24.450 1.00 71.21 C ATOM 455 CD1 LEU A 938 15.394 -10.896 -23.438 1.00 44.41 C ATOM 456 CD2 LEU A 938 14.445 -10.549 -25.726 1.00 14.31 C ATOM 0 H LEU A 938 11.555 -8.908 -24.919 1.00 52.35 H new ATOM 0 HA LEU A 938 12.840 -10.825 -23.217 1.00 24.10 H new ATOM 0 HB2 LEU A 938 13.450 -8.317 -24.623 1.00 64.31 H new ATOM 0 HB3 LEU A 938 14.217 -8.407 -23.050 1.00 64.31 H new ATOM 0 HG LEU A 938 15.754 -9.214 -24.698 1.00 71.21 H new ATOM 0 HD11 LEU A 938 16.190 -11.496 -23.878 1.00 44.41 H new ATOM 0 HD12 LEU A 938 15.772 -10.387 -22.551 1.00 44.41 H new ATOM 0 HD13 LEU A 938 14.563 -11.544 -23.158 1.00 44.41 H new ATOM 0 HD21 LEU A 938 15.254 -11.154 -26.135 1.00 14.31 H new ATOM 0 HD22 LEU A 938 13.591 -11.188 -25.503 1.00 14.31 H new ATOM 0 HD23 LEU A 938 14.152 -9.794 -26.456 1.00 14.31 H new ATOM 468 N LEU A 939 11.643 -8.041 -21.895 1.00 33.41 N ATOM 469 CA LEU A 939 11.240 -7.421 -20.637 1.00 70.15 C ATOM 470 C LEU A 939 10.408 -8.384 -19.797 1.00 73.31 C ATOM 471 O LEU A 939 10.697 -8.610 -18.622 1.00 25.10 O ATOM 472 CB LEU A 939 10.443 -6.144 -20.908 1.00 45.43 C ATOM 473 CG LEU A 939 11.265 -4.869 -21.106 1.00 24.33 C ATOM 474 CD1 LEU A 939 10.505 -3.871 -21.965 1.00 32.31 C ATOM 475 CD2 LEU A 939 11.625 -4.253 -19.762 1.00 24.34 C ATOM 0 H LEU A 939 11.444 -7.481 -22.724 1.00 33.41 H new ATOM 0 HA LEU A 939 12.142 -7.168 -20.080 1.00 70.15 H new ATOM 0 HB2 LEU A 939 9.834 -6.302 -21.798 1.00 45.43 H new ATOM 0 HB3 LEU A 939 9.757 -5.984 -20.076 1.00 45.43 H new ATOM 0 HG LEU A 939 12.188 -5.132 -21.622 1.00 24.33 H new ATOM 0 HD11 LEU A 939 11.106 -2.971 -22.095 1.00 32.31 H new ATOM 0 HD12 LEU A 939 10.299 -4.313 -22.940 1.00 32.31 H new ATOM 0 HD13 LEU A 939 9.565 -3.613 -21.477 1.00 32.31 H new ATOM 0 HD21 LEU A 939 12.210 -3.347 -19.922 1.00 24.34 H new ATOM 0 HD22 LEU A 939 10.713 -4.005 -19.219 1.00 24.34 H new ATOM 0 HD23 LEU A 939 12.211 -4.965 -19.181 1.00 24.34 H new ATOM 487 N LYS A 940 9.373 -8.952 -20.408 1.00 0.32 N ATOM 488 CA LYS A 940 8.500 -9.894 -19.718 1.00 53.03 C ATOM 489 C LYS A 940 9.282 -11.116 -19.246 1.00 52.45 C ATOM 490 O LYS A 940 8.929 -11.744 -18.249 1.00 31.45 O ATOM 491 CB LYS A 940 7.358 -10.331 -20.639 1.00 40.41 C ATOM 492 CG LYS A 940 6.546 -9.172 -21.192 1.00 33.30 C ATOM 493 CD LYS A 940 5.246 -8.987 -20.427 1.00 21.23 C ATOM 494 CE LYS A 940 4.330 -7.989 -21.118 1.00 33.22 C ATOM 495 NZ LYS A 940 3.445 -8.649 -22.118 1.00 43.41 N ATOM 0 H LYS A 940 9.119 -8.776 -21.380 1.00 0.32 H new ATOM 0 HA LYS A 940 8.083 -9.392 -18.845 1.00 53.03 H new ATOM 0 HB2 LYS A 940 7.771 -10.904 -21.470 1.00 40.41 H new ATOM 0 HB3 LYS A 940 6.695 -10.999 -20.090 1.00 40.41 H new ATOM 0 HG2 LYS A 940 7.134 -8.256 -21.138 1.00 33.30 H new ATOM 0 HG3 LYS A 940 6.328 -9.349 -22.245 1.00 33.30 H new ATOM 0 HD2 LYS A 940 4.737 -9.946 -20.335 1.00 21.23 H new ATOM 0 HD3 LYS A 940 5.463 -8.643 -19.416 1.00 21.23 H new ATOM 0 HE2 LYS A 940 3.719 -7.480 -20.372 1.00 33.22 H new ATOM 0 HE3 LYS A 940 4.931 -7.226 -21.613 1.00 33.22 H new ATOM 0 HZ1 LYS A 940 2.836 -7.935 -22.567 1.00 43.41 H new ATOM 0 HZ2 LYS A 940 4.027 -9.114 -22.844 1.00 43.41 H new ATOM 0 HZ3 LYS A 940 2.853 -9.359 -21.642 1.00 43.41 H new ATOM 509 N LYS A 941 10.347 -11.446 -19.969 1.00 73.03 N ATOM 510 CA LYS A 941 11.181 -12.591 -19.624 1.00 3.42 C ATOM 511 C LYS A 941 12.082 -12.268 -18.436 1.00 65.12 C ATOM 512 O LYS A 941 12.233 -13.077 -17.520 1.00 72.42 O ATOM 513 CB LYS A 941 12.033 -13.008 -20.825 1.00 74.10 C ATOM 514 CG LYS A 941 12.949 -14.185 -20.541 1.00 23.40 C ATOM 515 CD LYS A 941 14.374 -13.731 -20.273 1.00 2.21 C ATOM 516 CE LYS A 941 15.213 -13.750 -21.541 1.00 63.04 C ATOM 517 NZ LYS A 941 15.325 -15.121 -22.112 1.00 32.11 N ATOM 0 H LYS A 941 10.653 -10.936 -20.798 1.00 73.03 H new ATOM 0 HA LYS A 941 10.525 -13.417 -19.347 1.00 3.42 H new ATOM 0 HB2 LYS A 941 11.375 -13.263 -21.656 1.00 74.10 H new ATOM 0 HB3 LYS A 941 12.636 -12.158 -21.145 1.00 74.10 H new ATOM 0 HG2 LYS A 941 12.575 -14.739 -19.680 1.00 23.40 H new ATOM 0 HG3 LYS A 941 12.938 -14.869 -21.390 1.00 23.40 H new ATOM 0 HD2 LYS A 941 14.364 -12.723 -19.857 1.00 2.21 H new ATOM 0 HD3 LYS A 941 14.829 -14.380 -19.525 1.00 2.21 H new ATOM 0 HE2 LYS A 941 14.769 -13.084 -22.280 1.00 63.04 H new ATOM 0 HE3 LYS A 941 16.209 -13.365 -21.323 1.00 63.04 H new ATOM 0 HZ1 LYS A 941 16.218 -15.206 -22.638 1.00 32.11 H new ATOM 0 HZ2 LYS A 941 15.309 -15.820 -21.342 1.00 32.11 H new ATOM 0 HZ3 LYS A 941 14.526 -15.296 -22.755 1.00 32.11 H new ATOM 531 N HIS A 942 12.679 -11.080 -18.457 1.00 62.41 N ATOM 532 CA HIS A 942 13.564 -10.650 -17.380 1.00 61.33 C ATOM 533 C HIS A 942 12.771 -9.990 -16.256 1.00 62.24 C ATOM 534 O HIS A 942 13.336 -9.581 -15.243 1.00 51.31 O ATOM 535 CB HIS A 942 14.618 -9.680 -17.915 1.00 21.13 C ATOM 536 CG HIS A 942 15.560 -10.302 -18.899 1.00 4.12 C ATOM 537 ND1 HIS A 942 16.448 -11.302 -18.562 1.00 72.34 N ATOM 538 CD2 HIS A 942 15.749 -10.061 -20.217 1.00 45.03 C ATOM 539 CE1 HIS A 942 17.143 -11.649 -19.631 1.00 1.41 C ATOM 540 NE2 HIS A 942 16.738 -10.911 -20.649 1.00 3.42 N ATOM 0 H HIS A 942 12.566 -10.399 -19.208 1.00 62.41 H new ATOM 0 HA HIS A 942 14.063 -11.532 -16.979 1.00 61.33 H new ATOM 0 HB2 HIS A 942 14.116 -8.836 -18.388 1.00 21.13 H new ATOM 0 HB3 HIS A 942 15.191 -9.281 -17.078 1.00 21.13 H new ATOM 0 HD1 HIS A 942 16.552 -11.710 -17.633 1.00 72.34 H new ATOM 0 HD2 HIS A 942 15.221 -9.335 -20.818 1.00 45.03 H new ATOM 0 HE1 HIS A 942 17.911 -12.407 -19.666 1.00 1.41 H new ATOM 548 N ASN A 943 11.459 -9.890 -16.444 1.00 42.11 N ATOM 549 CA ASN A 943 10.589 -9.278 -15.446 1.00 71.14 C ATOM 550 C ASN A 943 10.873 -7.784 -15.319 1.00 70.54 C ATOM 551 O ASN A 943 11.228 -7.299 -14.245 1.00 42.43 O ATOM 552 CB ASN A 943 10.774 -9.961 -14.090 1.00 24.10 C ATOM 553 CG ASN A 943 10.898 -11.467 -14.213 1.00 63.53 C ATOM 554 OD1 ASN A 943 11.877 -12.060 -13.759 1.00 31.32 O ATOM 555 ND2 ASN A 943 9.904 -12.094 -14.831 1.00 34.22 N ATOM 0 H ASN A 943 10.975 -10.225 -17.277 1.00 42.11 H new ATOM 0 HA ASN A 943 9.557 -9.407 -15.772 1.00 71.14 H new ATOM 0 HB2 ASN A 943 11.666 -9.564 -13.605 1.00 24.10 H new ATOM 0 HB3 ASN A 943 9.928 -9.720 -13.447 1.00 24.10 H new ATOM 0 HD21 ASN A 943 9.933 -13.107 -14.945 1.00 34.22 H new ATOM 0 HD22 ASN A 943 9.112 -11.562 -15.192 1.00 34.22 H new ATOM 562 N TYR A 944 10.713 -7.062 -16.422 1.00 44.24 N ATOM 563 CA TYR A 944 10.954 -5.624 -16.436 1.00 3.25 C ATOM 564 C TYR A 944 12.394 -5.309 -16.042 1.00 2.04 C ATOM 565 O TYR A 944 12.643 -4.481 -15.167 1.00 0.51 O ATOM 566 CB TYR A 944 9.987 -4.915 -15.486 1.00 3.13 C ATOM 567 CG TYR A 944 8.641 -4.614 -16.105 1.00 63.13 C ATOM 568 CD1 TYR A 944 7.931 -5.598 -16.782 1.00 34.23 C ATOM 569 CD2 TYR A 944 8.081 -3.346 -16.015 1.00 74.25 C ATOM 570 CE1 TYR A 944 6.701 -5.328 -17.350 1.00 52.01 C ATOM 571 CE2 TYR A 944 6.851 -3.067 -16.579 1.00 72.35 C ATOM 572 CZ TYR A 944 6.165 -4.061 -17.246 1.00 30.31 C ATOM 573 OH TYR A 944 4.940 -3.787 -17.810 1.00 63.13 O ATOM 0 H TYR A 944 10.417 -7.449 -17.318 1.00 44.24 H new ATOM 0 HA TYR A 944 10.787 -5.263 -17.451 1.00 3.25 H new ATOM 0 HB2 TYR A 944 9.840 -5.535 -14.601 1.00 3.13 H new ATOM 0 HB3 TYR A 944 10.440 -3.982 -15.150 1.00 3.13 H new ATOM 0 HD1 TYR A 944 8.348 -6.591 -16.866 1.00 34.23 H new ATOM 0 HD2 TYR A 944 8.616 -2.565 -15.495 1.00 74.25 H new ATOM 0 HE1 TYR A 944 6.162 -6.104 -17.873 1.00 52.01 H new ATOM 0 HE2 TYR A 944 6.429 -2.076 -16.498 1.00 72.35 H new ATOM 0 HH TYR A 944 4.706 -2.850 -17.645 1.00 63.13 H new ATOM 583 N ASN A 945 13.339 -5.977 -16.695 1.00 41.14 N ATOM 584 CA ASN A 945 14.755 -5.769 -16.415 1.00 21.43 C ATOM 585 C ASN A 945 15.508 -5.371 -17.680 1.00 52.54 C ATOM 586 O ASN A 945 16.109 -6.212 -18.348 1.00 72.54 O ATOM 587 CB ASN A 945 15.370 -7.038 -15.821 1.00 31.33 C ATOM 588 CG ASN A 945 16.306 -6.741 -14.665 1.00 52.10 C ATOM 589 OD1 ASN A 945 17.005 -5.728 -14.663 1.00 42.20 O ATOM 590 ND2 ASN A 945 16.323 -7.626 -13.675 1.00 14.31 N ATOM 0 H ASN A 945 13.150 -6.667 -17.422 1.00 41.14 H new ATOM 0 HA ASN A 945 14.841 -4.958 -15.692 1.00 21.43 H new ATOM 0 HB2 ASN A 945 14.573 -7.699 -15.479 1.00 31.33 H new ATOM 0 HB3 ASN A 945 15.916 -7.572 -16.599 1.00 31.33 H new ATOM 0 HD21 ASN A 945 16.933 -7.480 -12.871 1.00 14.31 H new ATOM 0 HD22 ASN A 945 15.726 -8.452 -13.719 1.00 14.31 H new ATOM 597 N ILE A 946 15.471 -4.082 -18.003 1.00 73.10 N ATOM 598 CA ILE A 946 16.151 -3.572 -19.187 1.00 55.30 C ATOM 599 C ILE A 946 17.613 -4.002 -19.209 1.00 63.14 C ATOM 600 O ILE A 946 18.156 -4.340 -20.262 1.00 24.40 O ATOM 601 CB ILE A 946 16.078 -2.035 -19.259 1.00 60.03 C ATOM 602 CG1 ILE A 946 16.845 -1.523 -20.480 1.00 63.31 C ATOM 603 CG2 ILE A 946 16.630 -1.418 -17.983 1.00 23.21 C ATOM 604 CD1 ILE A 946 16.301 -2.037 -21.795 1.00 1.13 C ATOM 0 H ILE A 946 14.977 -3.372 -17.461 1.00 73.10 H new ATOM 0 HA ILE A 946 15.638 -3.993 -20.052 1.00 55.30 H new ATOM 0 HB ILE A 946 15.034 -1.740 -19.359 1.00 60.03 H new ATOM 0 HG12 ILE A 946 16.817 -0.433 -20.486 1.00 63.31 H new ATOM 0 HG13 ILE A 946 17.891 -1.815 -20.390 1.00 63.31 H new ATOM 0 HG21 ILE A 946 16.572 -0.332 -18.049 1.00 23.21 H new ATOM 0 HG22 ILE A 946 16.045 -1.761 -17.130 1.00 23.21 H new ATOM 0 HG23 ILE A 946 17.670 -1.718 -17.854 1.00 23.21 H new ATOM 0 HD11 ILE A 946 16.893 -1.633 -22.616 1.00 1.13 H new ATOM 0 HD12 ILE A 946 16.354 -3.126 -21.810 1.00 1.13 H new ATOM 0 HD13 ILE A 946 15.263 -1.723 -21.907 1.00 1.13 H new ATOM 616 N LEU A 947 18.246 -3.989 -18.041 1.00 51.34 N ATOM 617 CA LEU A 947 19.647 -4.380 -17.925 1.00 54.35 C ATOM 618 C LEU A 947 19.883 -5.750 -18.552 1.00 21.21 C ATOM 619 O LEU A 947 20.773 -5.916 -19.385 1.00 64.40 O ATOM 620 CB LEU A 947 20.072 -4.398 -16.456 1.00 54.31 C ATOM 621 CG LEU A 947 19.801 -3.119 -15.663 1.00 54.53 C ATOM 622 CD1 LEU A 947 20.221 -3.291 -14.212 1.00 44.21 C ATOM 623 CD2 LEU A 947 20.524 -1.937 -16.294 1.00 32.24 C ATOM 0 H LEU A 947 17.811 -3.712 -17.161 1.00 51.34 H new ATOM 0 HA LEU A 947 20.249 -3.647 -18.462 1.00 54.35 H new ATOM 0 HB2 LEU A 947 19.561 -5.224 -15.961 1.00 54.31 H new ATOM 0 HB3 LEU A 947 21.140 -4.611 -16.410 1.00 54.31 H new ATOM 0 HG LEU A 947 18.730 -2.919 -15.688 1.00 54.53 H new ATOM 0 HD11 LEU A 947 20.021 -2.371 -13.664 1.00 44.21 H new ATOM 0 HD12 LEU A 947 19.658 -4.110 -13.765 1.00 44.21 H new ATOM 0 HD13 LEU A 947 21.287 -3.516 -14.166 1.00 44.21 H new ATOM 0 HD21 LEU A 947 20.320 -1.035 -15.717 1.00 32.24 H new ATOM 0 HD22 LEU A 947 21.597 -2.128 -16.301 1.00 32.24 H new ATOM 0 HD23 LEU A 947 20.173 -1.800 -17.317 1.00 32.24 H new ATOM 635 N GLN A 948 19.079 -6.727 -18.146 1.00 74.32 N ATOM 636 CA GLN A 948 19.200 -8.083 -18.669 1.00 40.14 C ATOM 637 C GLN A 948 18.676 -8.164 -20.099 1.00 54.52 C ATOM 638 O GLN A 948 19.164 -8.954 -20.907 1.00 41.30 O ATOM 639 CB GLN A 948 18.439 -9.066 -17.778 1.00 62.12 C ATOM 640 CG GLN A 948 18.891 -9.047 -16.327 1.00 12.42 C ATOM 641 CD GLN A 948 20.303 -9.567 -16.148 1.00 62.40 C ATOM 642 OE1 GLN A 948 21.275 -8.886 -16.476 1.00 12.41 O ATOM 643 NE2 GLN A 948 20.425 -10.782 -15.625 1.00 71.14 N ATOM 0 H GLN A 948 18.337 -6.605 -17.457 1.00 74.32 H new ATOM 0 HA GLN A 948 20.257 -8.351 -18.673 1.00 40.14 H new ATOM 0 HB2 GLN A 948 17.375 -8.834 -17.821 1.00 62.12 H new ATOM 0 HB3 GLN A 948 18.562 -10.074 -18.175 1.00 62.12 H new ATOM 0 HG2 GLN A 948 18.832 -8.028 -15.946 1.00 12.42 H new ATOM 0 HG3 GLN A 948 18.207 -9.650 -15.730 1.00 12.42 H new ATOM 0 HE21 GLN A 948 19.593 -11.312 -15.367 1.00 71.14 H new ATOM 0 HE22 GLN A 948 21.351 -11.185 -15.481 1.00 71.14 H new ATOM 652 N VAL A 949 17.677 -7.341 -20.405 1.00 43.15 N ATOM 653 CA VAL A 949 17.087 -7.319 -21.738 1.00 54.43 C ATOM 654 C VAL A 949 18.132 -6.987 -22.797 1.00 41.02 C ATOM 655 O VAL A 949 18.376 -7.774 -23.712 1.00 42.20 O ATOM 656 CB VAL A 949 15.940 -6.295 -21.827 1.00 15.42 C ATOM 657 CG1 VAL A 949 15.437 -6.177 -23.258 1.00 23.33 C ATOM 658 CG2 VAL A 949 14.808 -6.680 -20.886 1.00 21.02 C ATOM 0 H VAL A 949 17.260 -6.682 -19.748 1.00 43.15 H new ATOM 0 HA VAL A 949 16.690 -8.317 -21.924 1.00 54.43 H new ATOM 0 HB VAL A 949 16.322 -5.321 -21.521 1.00 15.42 H new ATOM 0 HG11 VAL A 949 14.627 -5.449 -23.300 1.00 23.33 H new ATOM 0 HG12 VAL A 949 16.252 -5.851 -23.904 1.00 23.33 H new ATOM 0 HG13 VAL A 949 15.071 -7.147 -23.596 1.00 23.33 H new ATOM 0 HG21 VAL A 949 14.006 -5.946 -20.962 1.00 21.02 H new ATOM 0 HG22 VAL A 949 14.426 -7.664 -21.159 1.00 21.02 H new ATOM 0 HG23 VAL A 949 15.180 -6.707 -19.862 1.00 21.02 H new ATOM 668 N VAL A 950 18.748 -5.816 -22.667 1.00 31.12 N ATOM 669 CA VAL A 950 19.769 -5.380 -23.612 1.00 22.05 C ATOM 670 C VAL A 950 20.903 -6.395 -23.703 1.00 33.40 C ATOM 671 O VAL A 950 21.359 -6.737 -24.795 1.00 20.44 O ATOM 672 CB VAL A 950 20.352 -4.011 -23.215 1.00 42.43 C ATOM 673 CG1 VAL A 950 21.477 -3.616 -24.160 1.00 2.53 C ATOM 674 CG2 VAL A 950 19.260 -2.951 -23.201 1.00 25.32 C ATOM 0 H VAL A 950 18.558 -5.152 -21.916 1.00 31.12 H new ATOM 0 HA VAL A 950 19.284 -5.293 -24.584 1.00 22.05 H new ATOM 0 HB VAL A 950 20.764 -4.089 -22.209 1.00 42.43 H new ATOM 0 HG11 VAL A 950 21.877 -2.646 -23.864 1.00 2.53 H new ATOM 0 HG12 VAL A 950 22.269 -4.364 -24.116 1.00 2.53 H new ATOM 0 HG13 VAL A 950 21.092 -3.555 -25.178 1.00 2.53 H new ATOM 0 HG21 VAL A 950 19.689 -1.990 -22.918 1.00 25.32 H new ATOM 0 HG22 VAL A 950 18.816 -2.872 -24.194 1.00 25.32 H new ATOM 0 HG23 VAL A 950 18.491 -3.230 -22.481 1.00 25.32 H new ATOM 684 N THR A 951 21.354 -6.876 -22.549 1.00 21.05 N ATOM 685 CA THR A 951 22.435 -7.852 -22.497 1.00 70.34 C ATOM 686 C THR A 951 22.106 -9.081 -23.338 1.00 4.13 C ATOM 687 O THR A 951 22.976 -9.634 -24.010 1.00 32.42 O ATOM 688 CB THR A 951 22.723 -8.296 -21.051 1.00 3.12 C ATOM 689 OG1 THR A 951 23.092 -7.164 -20.255 1.00 41.34 O ATOM 690 CG2 THR A 951 23.837 -9.332 -21.014 1.00 54.02 C ATOM 0 H THR A 951 20.987 -6.605 -21.637 1.00 21.05 H new ATOM 0 HA THR A 951 23.321 -7.364 -22.902 1.00 70.34 H new ATOM 0 HB THR A 951 21.816 -8.745 -20.646 1.00 3.12 H new ATOM 0 HG1 THR A 951 22.285 -6.681 -19.979 1.00 41.34 H new ATOM 0 HG21 THR A 951 24.022 -9.630 -19.982 1.00 54.02 H new ATOM 0 HG22 THR A 951 23.542 -10.205 -21.596 1.00 54.02 H new ATOM 0 HG23 THR A 951 24.746 -8.904 -21.437 1.00 54.02 H new ATOM 698 N GLU A 952 20.846 -9.502 -23.295 1.00 50.41 N ATOM 699 CA GLU A 952 20.404 -10.666 -24.054 1.00 11.23 C ATOM 700 C GLU A 952 20.466 -10.393 -25.554 1.00 33.31 C ATOM 701 O GLU A 952 21.032 -11.178 -26.316 1.00 51.12 O ATOM 702 CB GLU A 952 18.979 -11.052 -23.653 1.00 32.43 C ATOM 703 CG GLU A 952 18.688 -12.537 -23.794 1.00 63.10 C ATOM 704 CD GLU A 952 19.206 -13.347 -22.621 1.00 73.01 C ATOM 705 OE1 GLU A 952 19.358 -12.772 -21.523 1.00 42.24 O ATOM 706 OE2 GLU A 952 19.458 -14.557 -22.802 1.00 11.14 O ATOM 0 H GLU A 952 20.114 -9.055 -22.743 1.00 50.41 H new ATOM 0 HA GLU A 952 21.075 -11.494 -23.825 1.00 11.23 H new ATOM 0 HB2 GLU A 952 18.808 -10.753 -22.619 1.00 32.43 H new ATOM 0 HB3 GLU A 952 18.274 -10.492 -24.267 1.00 32.43 H new ATOM 0 HG2 GLU A 952 17.612 -12.685 -23.886 1.00 63.10 H new ATOM 0 HG3 GLU A 952 19.141 -12.906 -24.714 1.00 63.10 H new ATOM 713 N LEU A 953 19.879 -9.277 -25.971 1.00 3.32 N ATOM 714 CA LEU A 953 19.866 -8.899 -27.380 1.00 24.41 C ATOM 715 C LEU A 953 21.283 -8.850 -27.943 1.00 71.14 C ATOM 716 O LEU A 953 21.523 -9.249 -29.084 1.00 24.44 O ATOM 717 CB LEU A 953 19.187 -7.541 -27.558 1.00 52.42 C ATOM 718 CG LEU A 953 17.772 -7.418 -26.990 1.00 45.21 C ATOM 719 CD1 LEU A 953 17.122 -6.124 -27.453 1.00 53.40 C ATOM 720 CD2 LEU A 953 16.928 -8.617 -27.397 1.00 43.31 C ATOM 0 H LEU A 953 19.406 -8.618 -25.353 1.00 3.32 H new ATOM 0 HA LEU A 953 19.303 -9.654 -27.928 1.00 24.41 H new ATOM 0 HB2 LEU A 953 19.812 -6.781 -27.090 1.00 52.42 H new ATOM 0 HB3 LEU A 953 19.151 -7.312 -28.623 1.00 52.42 H new ATOM 0 HG LEU A 953 17.838 -7.398 -25.902 1.00 45.21 H new ATOM 0 HD11 LEU A 953 16.116 -6.054 -27.039 1.00 53.40 H new ATOM 0 HD12 LEU A 953 17.715 -5.276 -27.111 1.00 53.40 H new ATOM 0 HD13 LEU A 953 17.068 -6.113 -28.542 1.00 53.40 H new ATOM 0 HD21 LEU A 953 15.925 -8.513 -26.984 1.00 43.31 H new ATOM 0 HD22 LEU A 953 16.869 -8.669 -28.484 1.00 43.31 H new ATOM 0 HD23 LEU A 953 17.385 -9.530 -27.015 1.00 43.31 H new ATOM 732 N LEU A 954 22.218 -8.360 -27.137 1.00 51.21 N ATOM 733 CA LEU A 954 23.612 -8.260 -27.554 1.00 64.41 C ATOM 734 C LEU A 954 24.265 -9.638 -27.605 1.00 61.10 C ATOM 735 O LEU A 954 24.790 -10.048 -28.640 1.00 3.13 O ATOM 736 CB LEU A 954 24.387 -7.351 -26.599 1.00 23.34 C ATOM 737 CG LEU A 954 25.539 -6.557 -27.214 1.00 44.34 C ATOM 738 CD1 LEU A 954 25.026 -5.634 -28.309 1.00 64.55 C ATOM 739 CD2 LEU A 954 26.271 -5.761 -26.143 1.00 53.34 C ATOM 0 H LEU A 954 22.036 -8.026 -26.191 1.00 51.21 H new ATOM 0 HA LEU A 954 23.636 -7.829 -28.555 1.00 64.41 H new ATOM 0 HB2 LEU A 954 23.686 -6.647 -26.150 1.00 23.34 H new ATOM 0 HB3 LEU A 954 24.785 -7.963 -25.790 1.00 23.34 H new ATOM 0 HG LEU A 954 26.242 -7.261 -27.659 1.00 44.34 H new ATOM 0 HD11 LEU A 954 25.860 -5.077 -28.735 1.00 64.55 H new ATOM 0 HD12 LEU A 954 24.548 -6.226 -29.090 1.00 64.55 H new ATOM 0 HD13 LEU A 954 24.302 -4.937 -27.888 1.00 64.55 H new ATOM 0 HD21 LEU A 954 27.088 -5.202 -26.600 1.00 53.34 H new ATOM 0 HD22 LEU A 954 25.578 -5.067 -25.668 1.00 53.34 H new ATOM 0 HD23 LEU A 954 26.672 -6.443 -25.393 1.00 53.34 H new