USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=6 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 29:sc= 0.063 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS : no HD1:sc= -0.865 X(o=-0.86,f=-0.56) 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= -0.067 X(o=-0.067,f=-0.41) USER MOD Single : A 935 ASN : amide:sc= -7.61! C(o=-7.6!,f=-12!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 158:sc= -0.0912 (180deg=-0.591) USER MOD Single : A 942 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-7.7!) USER MOD Single : A 943 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.8) USER MOD Single : A 948 GLN : amide:sc= -0.076 X(o=-0.076,f=-0.31) USER MOD Single : A 951 THR OG1 : rot 83:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.291 2.038 -19.787 1.00 53.21 N ATOM 115 CA THR A 917 8.826 1.221 -20.868 1.00 64.14 C ATOM 116 C THR A 917 9.272 2.085 -22.042 1.00 51.52 C ATOM 117 O THR A 917 10.279 1.799 -22.689 1.00 74.14 O ATOM 118 CB THR A 917 7.789 0.196 -21.365 1.00 2.11 C ATOM 119 OG1 THR A 917 7.392 -0.660 -20.288 1.00 15.43 O ATOM 120 CG2 THR A 917 8.357 -0.641 -22.501 1.00 74.03 C ATOM 0 HA THR A 917 9.687 0.689 -20.464 1.00 64.14 H new ATOM 0 HB THR A 917 6.921 0.741 -21.735 1.00 2.11 H new ATOM 0 HG1 THR A 917 7.473 -0.177 -19.439 1.00 15.43 H new ATOM 0 HG21 THR A 917 7.607 -1.358 -22.835 1.00 74.03 H new ATOM 0 HG22 THR A 917 8.632 0.010 -23.331 1.00 74.03 H new ATOM 0 HG23 THR A 917 9.240 -1.176 -22.152 1.00 74.03 H new ATOM 128 N ALA A 918 8.516 3.145 -22.311 1.00 61.02 N ATOM 129 CA ALA A 918 8.835 4.053 -23.406 1.00 23.02 C ATOM 130 C ALA A 918 10.250 4.606 -23.266 1.00 74.41 C ATOM 131 O ALA A 918 10.946 4.812 -24.259 1.00 65.32 O ATOM 132 CB ALA A 918 7.825 5.190 -23.460 1.00 64.31 C ATOM 0 H ALA A 918 7.679 3.396 -21.786 1.00 61.02 H new ATOM 0 HA ALA A 918 8.783 3.491 -24.338 1.00 23.02 H new ATOM 0 HB1 ALA A 918 8.075 5.860 -24.282 1.00 64.31 H new ATOM 0 HB2 ALA A 918 6.826 4.782 -23.615 1.00 64.31 H new ATOM 0 HB3 ALA A 918 7.849 5.743 -22.521 1.00 64.31 H new ATOM 138 N ALA A 919 10.667 4.844 -22.027 1.00 60.01 N ATOM 139 CA ALA A 919 11.999 5.372 -21.758 1.00 31.51 C ATOM 140 C ALA A 919 13.065 4.300 -21.961 1.00 0.33 C ATOM 141 O ALA A 919 14.178 4.593 -22.401 1.00 33.40 O ATOM 142 CB ALA A 919 12.070 5.929 -20.344 1.00 20.32 C ATOM 0 H ALA A 919 10.102 4.680 -21.194 1.00 60.01 H new ATOM 0 HA ALA A 919 12.193 6.179 -22.464 1.00 31.51 H new ATOM 0 HB1 ALA A 919 13.070 6.320 -20.157 1.00 20.32 H new ATOM 0 HB2 ALA A 919 11.340 6.731 -20.232 1.00 20.32 H new ATOM 0 HB3 ALA A 919 11.851 5.136 -19.629 1.00 20.32 H new ATOM 148 N LEU A 920 12.719 3.059 -21.637 1.00 1.33 N ATOM 149 CA LEU A 920 13.647 1.943 -21.783 1.00 4.42 C ATOM 150 C LEU A 920 13.860 1.601 -23.254 1.00 2.21 C ATOM 151 O LEU A 920 14.950 1.195 -23.655 1.00 62.22 O ATOM 152 CB LEU A 920 13.124 0.717 -21.033 1.00 12.43 C ATOM 153 CG LEU A 920 12.430 0.993 -19.698 1.00 62.41 C ATOM 154 CD1 LEU A 920 12.009 -0.310 -19.037 1.00 35.40 C ATOM 155 CD2 LEU A 920 13.343 1.789 -18.777 1.00 53.21 C ATOM 0 H LEU A 920 11.803 2.800 -21.271 1.00 1.33 H new ATOM 0 HA LEU A 920 14.605 2.241 -21.356 1.00 4.42 H new ATOM 0 HB2 LEU A 920 12.424 0.190 -21.682 1.00 12.43 H new ATOM 0 HB3 LEU A 920 13.961 0.042 -20.852 1.00 12.43 H new ATOM 0 HG LEU A 920 11.535 1.585 -19.891 1.00 62.41 H new ATOM 0 HD11 LEU A 920 11.517 -0.094 -18.089 1.00 35.40 H new ATOM 0 HD12 LEU A 920 11.319 -0.843 -19.691 1.00 35.40 H new ATOM 0 HD13 LEU A 920 12.889 -0.928 -18.857 1.00 35.40 H new ATOM 0 HD21 LEU A 920 12.833 1.976 -17.832 1.00 53.21 H new ATOM 0 HD22 LEU A 920 14.255 1.223 -18.591 1.00 53.21 H new ATOM 0 HD23 LEU A 920 13.595 2.739 -19.247 1.00 53.21 H new ATOM 167 N MET A 921 12.812 1.771 -24.053 1.00 70.41 N ATOM 168 CA MET A 921 12.886 1.483 -25.481 1.00 34.32 C ATOM 169 C MET A 921 14.043 2.236 -26.128 1.00 65.22 C ATOM 170 O MET A 921 14.722 1.711 -27.011 1.00 34.55 O ATOM 171 CB MET A 921 11.571 1.858 -26.167 1.00 73.10 C ATOM 172 CG MET A 921 10.442 0.877 -25.894 1.00 54.42 C ATOM 173 SD MET A 921 9.269 0.772 -27.260 1.00 34.44 S ATOM 174 CE MET A 921 7.824 0.133 -26.416 1.00 15.23 C ATOM 0 H MET A 921 11.902 2.106 -23.737 1.00 70.41 H new ATOM 0 HA MET A 921 13.059 0.414 -25.602 1.00 34.32 H new ATOM 0 HB2 MET A 921 11.267 2.851 -25.834 1.00 73.10 H new ATOM 0 HB3 MET A 921 11.736 1.919 -27.243 1.00 73.10 H new ATOM 0 HG2 MET A 921 10.862 -0.111 -25.704 1.00 54.42 H new ATOM 0 HG3 MET A 921 9.914 1.179 -24.989 1.00 54.42 H new ATOM 0 HE1 MET A 921 7.009 0.013 -27.130 1.00 15.23 H new ATOM 0 HE2 MET A 921 8.061 -0.833 -25.969 1.00 15.23 H new ATOM 0 HE3 MET A 921 7.521 0.830 -25.634 1.00 15.23 H new ATOM 184 N ALA A 922 14.263 3.469 -25.684 1.00 64.02 N ATOM 185 CA ALA A 922 15.340 4.293 -26.219 1.00 61.14 C ATOM 186 C ALA A 922 16.704 3.754 -25.801 1.00 32.20 C ATOM 187 O ALA A 922 17.672 3.831 -26.558 1.00 70.31 O ATOM 188 CB ALA A 922 15.178 5.735 -25.763 1.00 12.23 C ATOM 0 H ALA A 922 13.710 3.919 -24.955 1.00 64.02 H new ATOM 0 HA ALA A 922 15.283 4.259 -27.307 1.00 61.14 H new ATOM 0 HB1 ALA A 922 15.989 6.339 -26.170 1.00 12.23 H new ATOM 0 HB2 ALA A 922 14.223 6.124 -26.118 1.00 12.23 H new ATOM 0 HB3 ALA A 922 15.205 5.778 -24.674 1.00 12.23 H new ATOM 194 N HIS A 923 16.774 3.209 -24.591 1.00 34.34 N ATOM 195 CA HIS A 923 18.020 2.657 -24.072 1.00 31.45 C ATOM 196 C HIS A 923 18.573 1.587 -25.009 1.00 15.20 C ATOM 197 O HIS A 923 19.786 1.460 -25.176 1.00 43.21 O ATOM 198 CB HIS A 923 17.800 2.066 -22.679 1.00 34.14 C ATOM 199 CG HIS A 923 17.346 3.072 -21.666 1.00 74.03 C ATOM 200 ND1 HIS A 923 17.304 4.427 -21.918 1.00 42.11 N ATOM 201 CD2 HIS A 923 16.910 2.914 -20.395 1.00 21.35 C ATOM 202 CE1 HIS A 923 16.865 5.059 -20.844 1.00 74.15 C ATOM 203 NE2 HIS A 923 16.618 4.163 -19.906 1.00 13.23 N ATOM 0 H HIS A 923 15.983 3.138 -23.952 1.00 34.34 H new ATOM 0 HA HIS A 923 18.746 3.467 -24.005 1.00 31.45 H new ATOM 0 HB2 HIS A 923 17.059 1.269 -22.744 1.00 34.14 H new ATOM 0 HB3 HIS A 923 18.729 1.611 -22.336 1.00 34.14 H new ATOM 0 HD2 HIS A 923 16.810 1.979 -19.864 1.00 21.35 H new ATOM 0 HE1 HIS A 923 16.731 6.126 -20.749 1.00 74.15 H new ATOM 0 HE2 HIS A 923 16.267 4.366 -18.970 1.00 13.23 H new ATOM 211 N LEU A 924 17.675 0.820 -25.618 1.00 10.13 N ATOM 212 CA LEU A 924 18.073 -0.240 -26.538 1.00 55.52 C ATOM 213 C LEU A 924 18.468 0.337 -27.894 1.00 31.10 C ATOM 214 O LEU A 924 19.485 -0.048 -28.471 1.00 41.31 O ATOM 215 CB LEU A 924 16.933 -1.246 -26.712 1.00 3.54 C ATOM 216 CG LEU A 924 16.352 -1.830 -25.424 1.00 2.03 C ATOM 217 CD1 LEU A 924 14.960 -1.274 -25.166 1.00 5.25 C ATOM 218 CD2 LEU A 924 16.316 -3.350 -25.496 1.00 42.53 C ATOM 0 H LEU A 924 16.667 0.912 -25.491 1.00 10.13 H new ATOM 0 HA LEU A 924 18.938 -0.750 -26.114 1.00 55.52 H new ATOM 0 HB2 LEU A 924 16.128 -0.761 -27.263 1.00 3.54 H new ATOM 0 HB3 LEU A 924 17.292 -2.068 -27.331 1.00 3.54 H new ATOM 0 HG LEU A 924 16.996 -1.541 -24.594 1.00 2.03 H new ATOM 0 HD11 LEU A 924 14.563 -1.701 -24.245 1.00 5.25 H new ATOM 0 HD12 LEU A 924 15.013 -0.190 -25.070 1.00 5.25 H new ATOM 0 HD13 LEU A 924 14.305 -1.532 -25.998 1.00 5.25 H new ATOM 0 HD21 LEU A 924 15.900 -3.748 -24.571 1.00 42.53 H new ATOM 0 HD22 LEU A 924 15.695 -3.660 -26.336 1.00 42.53 H new ATOM 0 HD23 LEU A 924 17.328 -3.732 -25.632 1.00 42.53 H new ATOM 230 N PHE A 925 17.658 1.263 -28.396 1.00 40.22 N ATOM 231 CA PHE A 925 17.924 1.894 -29.684 1.00 13.23 C ATOM 232 C PHE A 925 19.295 2.564 -29.688 1.00 53.15 C ATOM 233 O PHE A 925 19.928 2.697 -30.735 1.00 54.43 O ATOM 234 CB PHE A 925 16.839 2.925 -30.004 1.00 70.30 C ATOM 235 CG PHE A 925 15.447 2.361 -29.969 1.00 23.15 C ATOM 236 CD1 PHE A 925 15.199 1.065 -30.393 1.00 5.40 C ATOM 237 CD2 PHE A 925 14.387 3.126 -29.510 1.00 41.02 C ATOM 238 CE1 PHE A 925 13.920 0.545 -30.362 1.00 73.41 C ATOM 239 CE2 PHE A 925 13.105 2.610 -29.477 1.00 0.45 C ATOM 240 CZ PHE A 925 12.871 1.317 -29.902 1.00 44.51 C ATOM 0 H PHE A 925 16.812 1.593 -27.931 1.00 40.22 H new ATOM 0 HA PHE A 925 17.916 1.118 -30.450 1.00 13.23 H new ATOM 0 HB2 PHE A 925 16.908 3.746 -29.291 1.00 70.30 H new ATOM 0 HB3 PHE A 925 17.028 3.344 -30.992 1.00 70.30 H new ATOM 0 HD1 PHE A 925 16.015 0.455 -30.752 1.00 5.40 H new ATOM 0 HD2 PHE A 925 14.564 4.137 -29.174 1.00 41.02 H new ATOM 0 HE1 PHE A 925 13.740 -0.466 -30.698 1.00 73.41 H new ATOM 0 HE2 PHE A 925 12.287 3.218 -29.119 1.00 0.45 H new ATOM 0 HZ PHE A 925 11.871 0.911 -29.875 1.00 44.51 H new ATOM 250 N GLU A 926 19.746 2.984 -28.510 1.00 72.25 N ATOM 251 CA GLU A 926 21.041 3.641 -28.379 1.00 52.13 C ATOM 252 C GLU A 926 22.170 2.708 -28.807 1.00 43.30 C ATOM 253 O GLU A 926 23.251 3.158 -29.186 1.00 41.40 O ATOM 254 CB GLU A 926 21.262 4.099 -26.936 1.00 75.30 C ATOM 255 CG GLU A 926 20.519 5.377 -26.582 1.00 63.44 C ATOM 256 CD GLU A 926 21.248 6.622 -27.048 1.00 2.35 C ATOM 257 OE1 GLU A 926 22.018 6.528 -28.026 1.00 64.42 O ATOM 258 OE2 GLU A 926 21.049 7.691 -26.433 1.00 50.14 O ATOM 0 H GLU A 926 19.234 2.881 -27.634 1.00 72.25 H new ATOM 0 HA GLU A 926 21.045 4.513 -29.034 1.00 52.13 H new ATOM 0 HB2 GLU A 926 20.945 3.305 -26.259 1.00 75.30 H new ATOM 0 HB3 GLU A 926 22.329 4.251 -26.771 1.00 75.30 H new ATOM 0 HG2 GLU A 926 19.526 5.352 -27.031 1.00 63.44 H new ATOM 0 HG3 GLU A 926 20.379 5.425 -25.502 1.00 63.44 H new ATOM 265 N MET A 927 21.911 1.406 -28.742 1.00 40.44 N ATOM 266 CA MET A 927 22.905 0.410 -29.123 1.00 62.24 C ATOM 267 C MET A 927 22.822 0.101 -30.615 1.00 11.51 C ATOM 268 O MET A 927 23.842 -0.054 -31.284 1.00 42.24 O ATOM 269 CB MET A 927 22.709 -0.873 -28.314 1.00 34.23 C ATOM 270 CG MET A 927 23.103 -0.736 -26.852 1.00 63.02 C ATOM 271 SD MET A 927 24.890 -0.717 -26.614 1.00 45.22 S ATOM 272 CE MET A 927 25.017 0.180 -25.069 1.00 33.22 C ATOM 0 H MET A 927 21.022 1.017 -28.429 1.00 40.44 H new ATOM 0 HA MET A 927 23.892 0.819 -28.909 1.00 62.24 H new ATOM 0 HB2 MET A 927 21.663 -1.174 -28.373 1.00 34.23 H new ATOM 0 HB3 MET A 927 23.297 -1.672 -28.767 1.00 34.23 H new ATOM 0 HG2 MET A 927 22.677 0.183 -26.449 1.00 63.02 H new ATOM 0 HG3 MET A 927 22.673 -1.562 -26.285 1.00 63.02 H new ATOM 0 HE1 MET A 927 26.066 0.274 -24.788 1.00 33.22 H new ATOM 0 HE2 MET A 927 24.583 1.173 -25.188 1.00 33.22 H new ATOM 0 HE3 MET A 927 24.480 -0.360 -24.289 1.00 33.22 H new ATOM 282 N GLY A 928 21.599 0.014 -31.129 1.00 71.25 N ATOM 283 CA GLY A 928 21.406 -0.276 -32.538 1.00 72.22 C ATOM 284 C GLY A 928 20.550 -1.506 -32.765 1.00 32.51 C ATOM 285 O GLY A 928 20.683 -2.185 -33.784 1.00 15.12 O ATOM 0 H GLY A 928 20.739 0.139 -30.595 1.00 71.25 H new ATOM 0 HA2 GLY A 928 20.939 0.582 -33.022 1.00 72.22 H new ATOM 0 HA3 GLY A 928 22.377 -0.420 -33.012 1.00 72.22 H new ATOM 289 N PHE A 929 19.670 -1.797 -31.812 1.00 52.35 N ATOM 290 CA PHE A 929 18.790 -2.956 -31.912 1.00 3.33 C ATOM 291 C PHE A 929 17.564 -2.637 -32.762 1.00 43.13 C ATOM 292 O PHE A 929 17.284 -3.322 -33.747 1.00 15.42 O ATOM 293 CB PHE A 929 18.353 -3.412 -30.518 1.00 5.20 C ATOM 294 CG PHE A 929 19.431 -4.129 -29.757 1.00 23.32 C ATOM 295 CD1 PHE A 929 20.153 -5.152 -30.350 1.00 64.13 C ATOM 296 CD2 PHE A 929 19.722 -3.781 -28.448 1.00 20.35 C ATOM 297 CE1 PHE A 929 21.146 -5.814 -29.653 1.00 22.22 C ATOM 298 CE2 PHE A 929 20.714 -4.439 -27.745 1.00 71.53 C ATOM 299 CZ PHE A 929 21.426 -5.458 -28.348 1.00 51.01 C ATOM 0 H PHE A 929 19.547 -1.246 -30.962 1.00 52.35 H new ATOM 0 HA PHE A 929 19.344 -3.761 -32.394 1.00 3.33 H new ATOM 0 HB2 PHE A 929 18.031 -2.543 -29.944 1.00 5.20 H new ATOM 0 HB3 PHE A 929 17.488 -4.069 -30.614 1.00 5.20 H new ATOM 0 HD1 PHE A 929 19.937 -5.436 -31.369 1.00 64.13 H new ATOM 0 HD2 PHE A 929 19.167 -2.986 -27.971 1.00 20.35 H new ATOM 0 HE1 PHE A 929 21.702 -6.609 -30.128 1.00 22.22 H new ATOM 0 HE2 PHE A 929 20.932 -4.157 -26.726 1.00 71.53 H new ATOM 0 HZ PHE A 929 22.200 -5.975 -27.800 1.00 51.01 H new ATOM 309 N CYS A 930 16.838 -1.594 -32.375 1.00 62.21 N ATOM 310 CA CYS A 930 15.641 -1.184 -33.101 1.00 30.53 C ATOM 311 C CYS A 930 14.627 -2.322 -33.163 1.00 32.03 C ATOM 312 O CYS A 930 13.774 -2.359 -34.050 1.00 30.03 O ATOM 313 CB CYS A 930 16.006 -0.733 -34.515 1.00 63.04 C ATOM 314 SG CYS A 930 16.790 0.895 -34.592 1.00 33.23 S ATOM 0 H CYS A 930 17.057 -1.017 -31.563 1.00 62.21 H new ATOM 0 HA CYS A 930 15.190 -0.348 -32.566 1.00 30.53 H new ATOM 0 HB2 CYS A 930 16.677 -1.469 -34.957 1.00 63.04 H new ATOM 0 HB3 CYS A 930 15.103 -0.718 -35.125 1.00 63.04 H new ATOM 0 HG CYS A 930 17.063 1.187 -35.829 1.00 33.23 H new ATOM 320 N ASP A 931 14.727 -3.249 -32.216 1.00 52.22 N ATOM 321 CA ASP A 931 13.819 -4.389 -32.163 1.00 53.42 C ATOM 322 C ASP A 931 12.757 -4.188 -31.087 1.00 14.52 C ATOM 323 O ASP A 931 12.853 -4.747 -29.994 1.00 55.42 O ATOM 324 CB ASP A 931 14.598 -5.677 -31.894 1.00 0.31 C ATOM 325 CG ASP A 931 15.584 -5.999 -32.999 1.00 42.45 C ATOM 326 OD1 ASP A 931 15.137 -6.397 -34.095 1.00 43.43 O ATOM 327 OD2 ASP A 931 16.803 -5.853 -32.769 1.00 21.34 O ATOM 0 H ASP A 931 15.428 -3.233 -31.475 1.00 52.22 H new ATOM 0 HA ASP A 931 13.321 -4.470 -33.129 1.00 53.42 H new ATOM 0 HB2 ASP A 931 15.133 -5.584 -30.949 1.00 0.31 H new ATOM 0 HB3 ASP A 931 13.898 -6.505 -31.783 1.00 0.31 H new ATOM 332 N ARG A 932 11.745 -3.385 -31.403 1.00 24.10 N ATOM 333 CA ARG A 932 10.667 -3.108 -30.462 1.00 73.41 C ATOM 334 C ARG A 932 9.965 -4.398 -30.045 1.00 54.54 C ATOM 335 O ARG A 932 9.403 -4.484 -28.954 1.00 25.24 O ATOM 336 CB ARG A 932 9.656 -2.142 -31.082 1.00 72.13 C ATOM 337 CG ARG A 932 8.722 -2.799 -32.086 1.00 12.24 C ATOM 338 CD ARG A 932 9.454 -3.175 -33.364 1.00 55.25 C ATOM 339 NE ARG A 932 8.581 -3.111 -34.534 1.00 35.05 N ATOM 340 CZ ARG A 932 8.215 -1.975 -35.117 1.00 12.25 C ATOM 341 NH1 ARG A 932 8.645 -0.814 -34.642 1.00 13.13 N ATOM 342 NH2 ARG A 932 7.418 -1.998 -36.177 1.00 73.51 N ATOM 0 H ARG A 932 11.650 -2.915 -32.303 1.00 24.10 H new ATOM 0 HA ARG A 932 11.102 -2.648 -29.575 1.00 73.41 H new ATOM 0 HB2 ARG A 932 9.062 -1.691 -30.287 1.00 72.13 H new ATOM 0 HB3 ARG A 932 10.195 -1.333 -31.575 1.00 72.13 H new ATOM 0 HG2 ARG A 932 8.279 -3.691 -31.643 1.00 12.24 H new ATOM 0 HG3 ARG A 932 7.903 -2.120 -32.321 1.00 12.24 H new ATOM 0 HD2 ARG A 932 10.302 -2.505 -33.507 1.00 55.25 H new ATOM 0 HD3 ARG A 932 9.858 -4.183 -33.267 1.00 55.25 H new ATOM 0 HE ARG A 932 8.234 -3.987 -34.925 1.00 35.05 H new ATOM 0 HH11 ARG A 932 9.258 -0.792 -33.827 1.00 13.13 H new ATOM 0 HH12 ARG A 932 8.363 0.057 -35.091 1.00 13.13 H new ATOM 0 HH21 ARG A 932 7.085 -2.889 -36.546 1.00 73.51 H new ATOM 0 HH22 ARG A 932 7.138 -1.125 -36.623 1.00 73.51 H new ATOM 356 N GLN A 933 10.000 -5.395 -30.923 1.00 65.10 N ATOM 357 CA GLN A 933 9.367 -6.679 -30.646 1.00 55.41 C ATOM 358 C GLN A 933 10.149 -7.456 -29.593 1.00 32.13 C ATOM 359 O GLN A 933 9.569 -8.018 -28.663 1.00 13.04 O ATOM 360 CB GLN A 933 9.256 -7.504 -31.929 1.00 64.21 C ATOM 361 CG GLN A 933 8.578 -6.766 -33.072 1.00 1.54 C ATOM 362 CD GLN A 933 7.947 -7.705 -34.081 1.00 10.44 C ATOM 363 OE1 GLN A 933 7.278 -8.670 -33.713 1.00 34.50 O ATOM 364 NE2 GLN A 933 8.157 -7.425 -35.362 1.00 21.43 N ATOM 0 H GLN A 933 10.460 -5.338 -31.832 1.00 65.10 H new ATOM 0 HA GLN A 933 8.366 -6.486 -30.259 1.00 55.41 H new ATOM 0 HB2 GLN A 933 10.255 -7.805 -32.244 1.00 64.21 H new ATOM 0 HB3 GLN A 933 8.700 -8.417 -31.717 1.00 64.21 H new ATOM 0 HG2 GLN A 933 7.811 -6.105 -32.668 1.00 1.54 H new ATOM 0 HG3 GLN A 933 9.310 -6.135 -33.577 1.00 1.54 H new ATOM 0 HE21 GLN A 933 8.719 -6.614 -35.621 1.00 21.43 H new ATOM 0 HE22 GLN A 933 7.757 -8.021 -36.087 1.00 21.43 H new ATOM 373 N LEU A 934 11.468 -7.485 -29.745 1.00 1.04 N ATOM 374 CA LEU A 934 12.331 -8.194 -28.806 1.00 71.31 C ATOM 375 C LEU A 934 12.301 -7.533 -27.432 1.00 34.01 C ATOM 376 O LEU A 934 12.060 -8.191 -26.421 1.00 34.11 O ATOM 377 CB LEU A 934 13.766 -8.235 -29.333 1.00 63.24 C ATOM 378 CG LEU A 934 14.182 -9.521 -30.049 1.00 22.14 C ATOM 379 CD1 LEU A 934 13.149 -9.907 -31.096 1.00 24.52 C ATOM 380 CD2 LEU A 934 15.555 -9.357 -30.685 1.00 74.24 C ATOM 0 H LEU A 934 11.964 -7.026 -30.509 1.00 1.04 H new ATOM 0 HA LEU A 934 11.957 -9.213 -28.706 1.00 71.31 H new ATOM 0 HB2 LEU A 934 13.904 -7.400 -30.020 1.00 63.24 H new ATOM 0 HB3 LEU A 934 14.444 -8.074 -28.495 1.00 63.24 H new ATOM 0 HG LEU A 934 14.239 -10.323 -29.313 1.00 22.14 H new ATOM 0 HD11 LEU A 934 13.462 -10.824 -31.595 1.00 24.52 H new ATOM 0 HD12 LEU A 934 12.185 -10.067 -30.614 1.00 24.52 H new ATOM 0 HD13 LEU A 934 13.059 -9.107 -31.831 1.00 24.52 H new ATOM 0 HD21 LEU A 934 15.835 -10.282 -31.190 1.00 74.24 H new ATOM 0 HD22 LEU A 934 15.526 -8.543 -31.409 1.00 74.24 H new ATOM 0 HD23 LEU A 934 16.289 -9.129 -29.912 1.00 74.24 H new ATOM 392 N ASN A 935 12.545 -6.227 -27.404 1.00 13.21 N ATOM 393 CA ASN A 935 12.544 -5.476 -26.154 1.00 13.32 C ATOM 394 C ASN A 935 11.239 -5.690 -25.392 1.00 4.33 C ATOM 395 O ASN A 935 11.208 -5.622 -24.162 1.00 74.22 O ATOM 396 CB ASN A 935 12.747 -3.985 -26.430 1.00 41.33 C ATOM 397 CG ASN A 935 13.740 -3.734 -27.549 1.00 24.44 C ATOM 398 OD1 ASN A 935 14.699 -4.487 -27.722 1.00 4.40 O ATOM 399 ND2 ASN A 935 13.514 -2.673 -28.314 1.00 4.33 N ATOM 0 H ASN A 935 12.746 -5.667 -28.232 1.00 13.21 H new ATOM 0 HA ASN A 935 13.367 -5.840 -25.540 1.00 13.32 H new ATOM 0 HB2 ASN A 935 11.790 -3.533 -26.689 1.00 41.33 H new ATOM 0 HB3 ASN A 935 13.096 -3.494 -25.521 1.00 41.33 H new ATOM 0 HD21 ASN A 935 14.148 -2.454 -29.082 1.00 4.33 H new ATOM 0 HD22 ASN A 935 12.706 -2.077 -28.134 1.00 4.33 H new ATOM 406 N LEU A 936 10.165 -5.949 -26.129 1.00 44.54 N ATOM 407 CA LEU A 936 8.857 -6.174 -25.524 1.00 4.51 C ATOM 408 C LEU A 936 8.789 -7.550 -24.870 1.00 44.11 C ATOM 409 O LEU A 936 8.415 -7.676 -23.704 1.00 71.42 O ATOM 410 CB LEU A 936 7.756 -6.042 -26.578 1.00 3.15 C ATOM 411 CG LEU A 936 6.373 -5.650 -26.057 1.00 51.33 C ATOM 412 CD1 LEU A 936 5.822 -6.730 -25.139 1.00 52.34 C ATOM 413 CD2 LEU A 936 6.435 -4.313 -25.333 1.00 53.55 C ATOM 0 H LEU A 936 10.174 -6.008 -27.147 1.00 44.54 H new ATOM 0 HA LEU A 936 8.706 -5.418 -24.753 1.00 4.51 H new ATOM 0 HB2 LEU A 936 8.070 -5.299 -27.312 1.00 3.15 H new ATOM 0 HB3 LEU A 936 7.668 -6.993 -27.104 1.00 3.15 H new ATOM 0 HG LEU A 936 5.701 -5.549 -26.909 1.00 51.33 H new ATOM 0 HD11 LEU A 936 4.837 -6.433 -24.778 1.00 52.34 H new ATOM 0 HD12 LEU A 936 5.740 -7.668 -25.689 1.00 52.34 H new ATOM 0 HD13 LEU A 936 6.494 -6.864 -24.291 1.00 52.34 H new ATOM 0 HD21 LEU A 936 5.442 -4.050 -24.969 1.00 53.55 H new ATOM 0 HD22 LEU A 936 7.122 -4.387 -24.490 1.00 53.55 H new ATOM 0 HD23 LEU A 936 6.785 -3.543 -26.020 1.00 53.55 H new ATOM 425 N ARG A 937 9.156 -8.578 -25.628 1.00 61.12 N ATOM 426 CA ARG A 937 9.138 -9.945 -25.122 1.00 72.31 C ATOM 427 C ARG A 937 10.197 -10.139 -24.041 1.00 14.03 C ATOM 428 O ARG A 937 10.037 -10.965 -23.141 1.00 71.11 O ATOM 429 CB ARG A 937 9.371 -10.937 -26.263 1.00 64.21 C ATOM 430 CG ARG A 937 10.840 -11.155 -26.589 1.00 73.34 C ATOM 431 CD ARG A 937 11.395 -12.375 -25.871 1.00 32.22 C ATOM 432 NE ARG A 937 10.676 -13.595 -26.229 1.00 24.33 N ATOM 433 CZ ARG A 937 10.930 -14.783 -25.690 1.00 3.52 C ATOM 434 NH1 ARG A 937 11.880 -14.909 -24.773 1.00 52.21 N ATOM 435 NH2 ARG A 937 10.233 -15.847 -26.067 1.00 43.43 N ATOM 0 H ARG A 937 9.469 -8.490 -26.595 1.00 61.12 H new ATOM 0 HA ARG A 937 8.158 -10.130 -24.683 1.00 72.31 H new ATOM 0 HB2 ARG A 937 8.920 -11.894 -25.999 1.00 64.21 H new ATOM 0 HB3 ARG A 937 8.859 -10.578 -27.156 1.00 64.21 H new ATOM 0 HG2 ARG A 937 10.960 -11.279 -27.665 1.00 73.34 H new ATOM 0 HG3 ARG A 937 11.412 -10.272 -26.304 1.00 73.34 H new ATOM 0 HD2 ARG A 937 12.451 -12.491 -26.117 1.00 32.22 H new ATOM 0 HD3 ARG A 937 11.333 -12.221 -24.794 1.00 32.22 H new ATOM 0 HE ARG A 937 9.939 -13.532 -26.931 1.00 24.33 H new ATOM 0 HH11 ARG A 937 12.417 -14.093 -24.480 1.00 52.21 H new ATOM 0 HH12 ARG A 937 12.073 -15.822 -24.361 1.00 52.21 H new ATOM 0 HH21 ARG A 937 9.501 -15.754 -26.771 1.00 43.43 H new ATOM 0 HH22 ARG A 937 10.429 -16.758 -25.653 1.00 43.43 H new ATOM 449 N LEU A 938 11.278 -9.373 -24.135 1.00 12.12 N ATOM 450 CA LEU A 938 12.364 -9.460 -23.165 1.00 21.10 C ATOM 451 C LEU A 938 11.962 -8.824 -21.838 1.00 50.44 C ATOM 452 O LEU A 938 12.168 -9.404 -20.771 1.00 55.15 O ATOM 453 CB LEU A 938 13.619 -8.777 -23.712 1.00 14.20 C ATOM 454 CG LEU A 938 14.734 -9.706 -24.192 1.00 73.25 C ATOM 455 CD1 LEU A 938 15.138 -10.671 -23.088 1.00 54.32 C ATOM 456 CD2 LEU A 938 14.295 -10.468 -25.434 1.00 72.15 C ATOM 0 H LEU A 938 11.426 -8.685 -24.873 1.00 12.12 H new ATOM 0 HA LEU A 938 12.578 -10.514 -22.991 1.00 21.10 H new ATOM 0 HB2 LEU A 938 13.326 -8.135 -24.543 1.00 14.20 H new ATOM 0 HB3 LEU A 938 14.023 -8.128 -22.935 1.00 14.20 H new ATOM 0 HG LEU A 938 15.601 -9.098 -24.450 1.00 73.25 H new ATOM 0 HD11 LEU A 938 15.933 -11.324 -23.448 1.00 54.32 H new ATOM 0 HD12 LEU A 938 15.494 -10.108 -22.225 1.00 54.32 H new ATOM 0 HD13 LEU A 938 14.277 -11.273 -22.798 1.00 54.32 H new ATOM 0 HD21 LEU A 938 15.101 -11.124 -25.762 1.00 72.15 H new ATOM 0 HD22 LEU A 938 13.413 -11.065 -25.202 1.00 72.15 H new ATOM 0 HD23 LEU A 938 14.056 -9.761 -26.229 1.00 72.15 H new ATOM 468 N LEU A 939 11.386 -7.629 -21.912 1.00 42.30 N ATOM 469 CA LEU A 939 10.952 -6.914 -20.717 1.00 3.51 C ATOM 470 C LEU A 939 10.075 -7.801 -19.840 1.00 2.04 C ATOM 471 O LEU A 939 10.312 -7.933 -18.639 1.00 35.45 O ATOM 472 CB LEU A 939 10.188 -5.647 -21.106 1.00 2.31 C ATOM 473 CG LEU A 939 11.039 -4.405 -21.373 1.00 4.34 C ATOM 474 CD1 LEU A 939 10.219 -3.337 -22.078 1.00 55.43 C ATOM 475 CD2 LEU A 939 11.616 -3.864 -20.072 1.00 62.33 C ATOM 0 H LEU A 939 11.209 -7.135 -22.787 1.00 42.30 H new ATOM 0 HA LEU A 939 11.839 -6.636 -20.148 1.00 3.51 H new ATOM 0 HB2 LEU A 939 9.602 -5.860 -22.000 1.00 2.31 H new ATOM 0 HB3 LEU A 939 9.481 -5.414 -20.310 1.00 2.31 H new ATOM 0 HG LEU A 939 11.866 -4.688 -22.025 1.00 4.34 H new ATOM 0 HD11 LEU A 939 10.842 -2.461 -22.259 1.00 55.43 H new ATOM 0 HD12 LEU A 939 9.855 -3.726 -23.029 1.00 55.43 H new ATOM 0 HD13 LEU A 939 9.372 -3.057 -21.452 1.00 55.43 H new ATOM 0 HD21 LEU A 939 12.219 -2.980 -20.281 1.00 62.33 H new ATOM 0 HD22 LEU A 939 10.803 -3.597 -19.397 1.00 62.33 H new ATOM 0 HD23 LEU A 939 12.240 -4.627 -19.606 1.00 62.33 H new ATOM 487 N LYS A 940 9.062 -8.409 -20.448 1.00 24.22 N ATOM 488 CA LYS A 940 8.151 -9.288 -19.724 1.00 50.42 C ATOM 489 C LYS A 940 8.892 -10.496 -19.162 1.00 21.43 C ATOM 490 O LYS A 940 8.458 -11.103 -18.182 1.00 63.33 O ATOM 491 CB LYS A 940 7.020 -9.752 -20.644 1.00 72.32 C ATOM 492 CG LYS A 940 6.321 -8.616 -21.370 1.00 75.11 C ATOM 493 CD LYS A 940 5.541 -7.736 -20.408 1.00 2.53 C ATOM 494 CE LYS A 940 4.043 -7.974 -20.522 1.00 64.14 C ATOM 495 NZ LYS A 940 3.570 -9.004 -19.557 1.00 23.33 N ATOM 0 H LYS A 940 8.851 -8.309 -21.441 1.00 24.22 H new ATOM 0 HA LYS A 940 7.727 -8.726 -18.892 1.00 50.42 H new ATOM 0 HB2 LYS A 940 7.424 -10.448 -21.379 1.00 72.32 H new ATOM 0 HB3 LYS A 940 6.286 -10.301 -20.055 1.00 72.32 H new ATOM 0 HG2 LYS A 940 7.059 -8.013 -21.900 1.00 75.11 H new ATOM 0 HG3 LYS A 940 5.645 -9.024 -22.121 1.00 75.11 H new ATOM 0 HD2 LYS A 940 5.865 -7.936 -19.387 1.00 2.53 H new ATOM 0 HD3 LYS A 940 5.760 -6.688 -20.613 1.00 2.53 H new ATOM 0 HE2 LYS A 940 3.512 -7.039 -20.344 1.00 64.14 H new ATOM 0 HE3 LYS A 940 3.802 -8.289 -21.537 1.00 64.14 H new ATOM 0 HZ1 LYS A 940 2.544 -9.137 -19.666 1.00 23.33 H new ATOM 0 HZ2 LYS A 940 4.058 -9.904 -19.743 1.00 23.33 H new ATOM 0 HZ3 LYS A 940 3.777 -8.692 -18.587 1.00 23.33 H new ATOM 509 N LYS A 941 10.013 -10.841 -19.786 1.00 42.54 N ATOM 510 CA LYS A 941 10.817 -11.975 -19.347 1.00 40.02 C ATOM 511 C LYS A 941 11.605 -11.629 -18.088 1.00 12.42 C ATOM 512 O LYS A 941 11.675 -12.423 -17.149 1.00 43.05 O ATOM 513 CB LYS A 941 11.776 -12.407 -20.459 1.00 21.54 C ATOM 514 CG LYS A 941 12.503 -13.708 -20.163 1.00 10.12 C ATOM 515 CD LYS A 941 13.929 -13.457 -19.703 1.00 64.31 C ATOM 516 CE LYS A 941 14.775 -14.718 -19.796 1.00 34.53 C ATOM 517 NZ LYS A 941 14.923 -15.184 -21.202 1.00 62.43 N ATOM 0 H LYS A 941 10.386 -10.350 -20.599 1.00 42.54 H new ATOM 0 HA LYS A 941 10.142 -12.799 -19.116 1.00 40.02 H new ATOM 0 HB2 LYS A 941 11.216 -12.516 -21.388 1.00 21.54 H new ATOM 0 HB3 LYS A 941 12.511 -11.618 -20.620 1.00 21.54 H new ATOM 0 HG2 LYS A 941 11.963 -14.261 -19.394 1.00 10.12 H new ATOM 0 HG3 LYS A 941 12.512 -14.332 -21.057 1.00 10.12 H new ATOM 0 HD2 LYS A 941 14.376 -12.672 -20.313 1.00 64.31 H new ATOM 0 HD3 LYS A 941 13.923 -13.097 -18.674 1.00 64.31 H new ATOM 0 HE2 LYS A 941 15.760 -14.526 -19.371 1.00 34.53 H new ATOM 0 HE3 LYS A 941 14.318 -15.507 -19.198 1.00 34.53 H new ATOM 0 HZ1 LYS A 941 15.768 -15.785 -21.281 1.00 62.43 H new ATOM 0 HZ2 LYS A 941 14.082 -15.731 -21.477 1.00 62.43 H new ATOM 0 HZ3 LYS A 941 15.022 -14.362 -21.832 1.00 62.43 H new ATOM 531 N HIS A 942 12.195 -10.437 -18.073 1.00 73.41 N ATOM 532 CA HIS A 942 12.976 -9.985 -16.927 1.00 73.32 C ATOM 533 C HIS A 942 12.112 -9.174 -15.967 1.00 15.23 C ATOM 534 O HIS A 942 12.597 -8.669 -14.955 1.00 60.23 O ATOM 535 CB HIS A 942 14.166 -9.146 -17.394 1.00 31.45 C ATOM 536 CG HIS A 942 15.042 -9.849 -18.385 1.00 12.40 C ATOM 537 ND1 HIS A 942 15.925 -10.848 -18.034 1.00 50.21 N ATOM 538 CD2 HIS A 942 15.166 -9.692 -19.724 1.00 34.22 C ATOM 539 CE1 HIS A 942 16.555 -11.274 -19.114 1.00 24.32 C ATOM 540 NE2 HIS A 942 16.112 -10.590 -20.153 1.00 4.52 N ATOM 0 H HIS A 942 12.147 -9.768 -18.841 1.00 73.41 H new ATOM 0 HA HIS A 942 13.346 -10.865 -16.400 1.00 73.32 H new ATOM 0 HB2 HIS A 942 13.796 -8.222 -17.839 1.00 31.45 H new ATOM 0 HB3 HIS A 942 14.764 -8.865 -16.527 1.00 31.45 H new ATOM 0 HD1 HIS A 942 16.069 -11.203 -17.089 1.00 50.21 H new ATOM 0 HD2 HIS A 942 14.622 -8.991 -20.340 1.00 34.22 H new ATOM 0 HE1 HIS A 942 17.305 -12.050 -19.142 1.00 24.32 H new ATOM 548 N ASN A 943 10.828 -9.052 -16.292 1.00 25.24 N ATOM 549 CA ASN A 943 9.897 -8.301 -15.458 1.00 50.32 C ATOM 550 C ASN A 943 10.251 -6.817 -15.448 1.00 41.35 C ATOM 551 O ASN A 943 10.586 -6.254 -14.405 1.00 72.55 O ATOM 552 CB ASN A 943 9.904 -8.847 -14.029 1.00 75.42 C ATOM 553 CG ASN A 943 9.989 -10.361 -13.990 1.00 5.15 C ATOM 554 OD1 ASN A 943 9.205 -11.055 -14.636 1.00 62.42 O ATOM 555 ND2 ASN A 943 10.946 -10.879 -13.228 1.00 34.34 N ATOM 0 H ASN A 943 10.410 -9.463 -17.126 1.00 25.24 H new ATOM 0 HA ASN A 943 8.898 -8.416 -15.879 1.00 50.32 H new ATOM 0 HB2 ASN A 943 10.749 -8.424 -13.485 1.00 75.42 H new ATOM 0 HB3 ASN A 943 8.999 -8.523 -13.514 1.00 75.42 H new ATOM 0 HD21 ASN A 943 11.053 -11.891 -13.161 1.00 34.34 H new ATOM 0 HD22 ASN A 943 11.574 -10.265 -12.710 1.00 34.34 H new ATOM 562 N TYR A 944 10.174 -6.188 -16.616 1.00 64.43 N ATOM 563 CA TYR A 944 10.488 -4.770 -16.743 1.00 64.22 C ATOM 564 C TYR A 944 11.918 -4.486 -16.292 1.00 32.24 C ATOM 565 O TYR A 944 12.159 -3.590 -15.484 1.00 52.34 O ATOM 566 CB TYR A 944 9.506 -3.933 -15.922 1.00 24.44 C ATOM 567 CG TYR A 944 8.228 -3.603 -16.659 1.00 21.14 C ATOM 568 CD1 TYR A 944 7.570 -4.565 -17.415 1.00 23.33 C ATOM 569 CD2 TYR A 944 7.678 -2.329 -16.598 1.00 13.31 C ATOM 570 CE1 TYR A 944 6.403 -4.268 -18.090 1.00 53.52 C ATOM 571 CE2 TYR A 944 6.510 -2.022 -17.269 1.00 33.30 C ATOM 572 CZ TYR A 944 5.876 -2.995 -18.014 1.00 42.11 C ATOM 573 OH TYR A 944 4.713 -2.695 -18.684 1.00 55.34 O ATOM 0 H TYR A 944 9.897 -6.638 -17.488 1.00 64.43 H new ATOM 0 HA TYR A 944 10.397 -4.496 -17.794 1.00 64.22 H new ATOM 0 HB2 TYR A 944 9.259 -4.472 -15.007 1.00 24.44 H new ATOM 0 HB3 TYR A 944 9.994 -3.005 -15.624 1.00 24.44 H new ATOM 0 HD1 TYR A 944 7.979 -5.563 -17.476 1.00 23.33 H new ATOM 0 HD2 TYR A 944 8.172 -1.565 -16.016 1.00 13.31 H new ATOM 0 HE1 TYR A 944 5.905 -5.028 -18.674 1.00 53.52 H new ATOM 0 HE2 TYR A 944 6.096 -1.026 -17.211 1.00 33.30 H new ATOM 0 HH TYR A 944 4.477 -1.757 -18.526 1.00 55.34 H new ATOM 583 N ASN A 945 12.863 -5.257 -16.820 1.00 35.40 N ATOM 584 CA ASN A 945 14.269 -5.090 -16.472 1.00 50.23 C ATOM 585 C ASN A 945 15.103 -4.785 -17.713 1.00 24.13 C ATOM 586 O ASN A 945 15.725 -5.678 -18.290 1.00 11.14 O ATOM 587 CB ASN A 945 14.799 -6.349 -15.784 1.00 22.20 C ATOM 588 CG ASN A 945 15.798 -6.032 -14.688 1.00 43.11 C ATOM 589 OD1 ASN A 945 16.873 -5.492 -14.950 1.00 41.30 O ATOM 590 ND2 ASN A 945 15.447 -6.368 -13.452 1.00 41.42 N ATOM 0 H ASN A 945 12.680 -6.004 -17.491 1.00 35.40 H new ATOM 0 HA ASN A 945 14.350 -4.248 -15.785 1.00 50.23 H new ATOM 0 HB2 ASN A 945 13.964 -6.907 -15.360 1.00 22.20 H new ATOM 0 HB3 ASN A 945 15.270 -6.994 -16.526 1.00 22.20 H new ATOM 0 HD21 ASN A 945 16.079 -6.180 -12.674 1.00 41.42 H new ATOM 0 HD22 ASN A 945 14.546 -6.814 -13.281 1.00 41.42 H new ATOM 597 N ILE A 946 15.112 -3.519 -18.116 1.00 65.35 N ATOM 598 CA ILE A 946 15.872 -3.097 -19.287 1.00 13.22 C ATOM 599 C ILE A 946 17.322 -3.559 -19.198 1.00 21.14 C ATOM 600 O ILE A 946 17.919 -3.964 -20.196 1.00 50.53 O ATOM 601 CB ILE A 946 15.842 -1.566 -19.455 1.00 30.13 C ATOM 602 CG1 ILE A 946 16.675 -1.148 -20.668 1.00 75.15 C ATOM 603 CG2 ILE A 946 16.354 -0.885 -18.194 1.00 61.13 C ATOM 604 CD1 ILE A 946 16.165 -1.715 -21.975 1.00 52.10 C ATOM 0 H ILE A 946 14.603 -2.768 -17.650 1.00 65.35 H new ATOM 0 HA ILE A 946 15.399 -3.559 -20.153 1.00 13.22 H new ATOM 0 HB ILE A 946 14.811 -1.253 -19.621 1.00 30.13 H new ATOM 0 HG12 ILE A 946 16.687 -0.060 -20.733 1.00 75.15 H new ATOM 0 HG13 ILE A 946 17.706 -1.470 -20.519 1.00 75.15 H new ATOM 0 HG21 ILE A 946 16.327 0.196 -18.328 1.00 61.13 H new ATOM 0 HG22 ILE A 946 15.723 -1.162 -17.349 1.00 61.13 H new ATOM 0 HG23 ILE A 946 17.379 -1.201 -18.000 1.00 61.13 H new ATOM 0 HD11 ILE A 946 16.803 -1.378 -22.792 1.00 52.10 H new ATOM 0 HD12 ILE A 946 16.179 -2.804 -21.929 1.00 52.10 H new ATOM 0 HD13 ILE A 946 15.145 -1.372 -22.147 1.00 52.10 H new ATOM 616 N LEU A 947 17.883 -3.498 -17.995 1.00 65.41 N ATOM 617 CA LEU A 947 19.265 -3.913 -17.774 1.00 14.12 C ATOM 618 C LEU A 947 19.500 -5.325 -18.300 1.00 44.14 C ATOM 619 O LEU A 947 20.432 -5.563 -19.069 1.00 14.30 O ATOM 620 CB LEU A 947 19.604 -3.849 -16.284 1.00 5.43 C ATOM 621 CG LEU A 947 19.322 -2.517 -15.588 1.00 10.23 C ATOM 622 CD1 LEU A 947 19.683 -2.598 -14.113 1.00 23.13 C ATOM 623 CD2 LEU A 947 20.087 -1.389 -16.265 1.00 13.44 C ATOM 0 H LEU A 947 17.403 -3.166 -17.158 1.00 65.41 H new ATOM 0 HA LEU A 947 19.916 -3.229 -18.319 1.00 14.12 H new ATOM 0 HB2 LEU A 947 19.043 -4.630 -15.770 1.00 5.43 H new ATOM 0 HB3 LEU A 947 20.662 -4.083 -16.162 1.00 5.43 H new ATOM 0 HG LEU A 947 18.256 -2.306 -15.669 1.00 10.23 H new ATOM 0 HD11 LEU A 947 19.475 -1.641 -13.635 1.00 23.13 H new ATOM 0 HD12 LEU A 947 19.090 -3.378 -13.636 1.00 23.13 H new ATOM 0 HD13 LEU A 947 20.742 -2.833 -14.010 1.00 23.13 H new ATOM 0 HD21 LEU A 947 19.874 -0.449 -15.756 1.00 13.44 H new ATOM 0 HD22 LEU A 947 21.156 -1.594 -16.216 1.00 13.44 H new ATOM 0 HD23 LEU A 947 19.779 -1.315 -17.308 1.00 13.44 H new ATOM 635 N GLN A 948 18.649 -6.256 -17.883 1.00 24.52 N ATOM 636 CA GLN A 948 18.765 -7.645 -18.314 1.00 40.41 C ATOM 637 C GLN A 948 18.321 -7.803 -19.764 1.00 52.35 C ATOM 638 O GLN A 948 18.834 -8.652 -20.493 1.00 22.23 O ATOM 639 CB GLN A 948 17.929 -8.553 -17.410 1.00 44.24 C ATOM 640 CG GLN A 948 18.316 -8.473 -15.942 1.00 50.54 C ATOM 641 CD GLN A 948 19.750 -8.895 -15.693 1.00 23.03 C ATOM 642 OE1 GLN A 948 20.679 -8.100 -15.841 1.00 13.31 O ATOM 643 NE2 GLN A 948 19.939 -10.153 -15.311 1.00 44.22 N ATOM 0 H GLN A 948 17.872 -6.075 -17.248 1.00 24.52 H new ATOM 0 HA GLN A 948 19.813 -7.936 -18.240 1.00 40.41 H new ATOM 0 HB2 GLN A 948 16.877 -8.287 -17.515 1.00 44.24 H new ATOM 0 HB3 GLN A 948 18.033 -9.584 -17.749 1.00 44.24 H new ATOM 0 HG2 GLN A 948 18.175 -7.452 -15.588 1.00 50.54 H new ATOM 0 HG3 GLN A 948 17.648 -9.107 -15.359 1.00 50.54 H new ATOM 0 HE21 GLN A 948 19.140 -10.778 -15.201 1.00 44.22 H new ATOM 0 HE22 GLN A 948 20.883 -10.494 -15.128 1.00 44.22 H new ATOM 652 N VAL A 949 17.363 -6.979 -20.178 1.00 72.20 N ATOM 653 CA VAL A 949 16.850 -7.027 -21.542 1.00 33.01 C ATOM 654 C VAL A 949 17.960 -6.778 -22.556 1.00 64.01 C ATOM 655 O VAL A 949 18.240 -7.623 -23.407 1.00 11.21 O ATOM 656 CB VAL A 949 15.731 -5.990 -21.757 1.00 70.54 C ATOM 657 CG1 VAL A 949 15.309 -5.956 -23.218 1.00 43.44 C ATOM 658 CG2 VAL A 949 14.543 -6.295 -20.858 1.00 75.20 C ATOM 0 H VAL A 949 16.927 -6.270 -19.588 1.00 72.20 H new ATOM 0 HA VAL A 949 16.443 -8.027 -21.692 1.00 33.01 H new ATOM 0 HB VAL A 949 16.115 -5.005 -21.491 1.00 70.54 H new ATOM 0 HG11 VAL A 949 14.518 -5.218 -23.351 1.00 43.44 H new ATOM 0 HG12 VAL A 949 16.164 -5.687 -23.838 1.00 43.44 H new ATOM 0 HG13 VAL A 949 14.942 -6.939 -23.514 1.00 43.44 H new ATOM 0 HG21 VAL A 949 13.762 -5.553 -21.023 1.00 75.20 H new ATOM 0 HG22 VAL A 949 14.156 -7.287 -21.091 1.00 75.20 H new ATOM 0 HG23 VAL A 949 14.859 -6.264 -19.815 1.00 75.20 H new ATOM 668 N VAL A 950 18.592 -5.612 -22.460 1.00 31.34 N ATOM 669 CA VAL A 950 19.674 -5.252 -23.368 1.00 2.34 C ATOM 670 C VAL A 950 20.761 -6.321 -23.379 1.00 50.22 C ATOM 671 O VAL A 950 21.226 -6.738 -24.440 1.00 63.33 O ATOM 672 CB VAL A 950 20.303 -3.900 -22.982 1.00 4.20 C ATOM 673 CG1 VAL A 950 21.477 -3.577 -23.895 1.00 14.03 C ATOM 674 CG2 VAL A 950 19.260 -2.794 -23.030 1.00 11.01 C ATOM 0 H VAL A 950 18.373 -4.901 -21.762 1.00 31.34 H new ATOM 0 HA VAL A 950 19.238 -5.171 -24.364 1.00 2.34 H new ATOM 0 HB VAL A 950 20.677 -3.971 -21.961 1.00 4.20 H new ATOM 0 HG11 VAL A 950 21.909 -2.618 -23.607 1.00 14.03 H new ATOM 0 HG12 VAL A 950 22.233 -4.357 -23.805 1.00 14.03 H new ATOM 0 HG13 VAL A 950 21.131 -3.524 -24.927 1.00 14.03 H new ATOM 0 HG21 VAL A 950 19.722 -1.846 -22.754 1.00 11.01 H new ATOM 0 HG22 VAL A 950 18.854 -2.720 -24.039 1.00 11.01 H new ATOM 0 HG23 VAL A 950 18.455 -3.022 -22.331 1.00 11.01 H new ATOM 684 N THR A 951 21.162 -6.762 -22.191 1.00 4.10 N ATOM 685 CA THR A 951 22.195 -7.782 -22.063 1.00 61.35 C ATOM 686 C THR A 951 21.865 -9.007 -22.908 1.00 72.52 C ATOM 687 O THR A 951 22.743 -9.586 -23.548 1.00 35.14 O ATOM 688 CB THR A 951 22.377 -8.218 -20.597 1.00 53.31 C ATOM 689 OG1 THR A 951 22.806 -7.105 -19.805 1.00 51.41 O ATOM 690 CG2 THR A 951 23.392 -9.345 -20.489 1.00 64.01 C ATOM 0 H THR A 951 20.787 -6.428 -21.303 1.00 4.10 H new ATOM 0 HA THR A 951 23.124 -7.337 -22.419 1.00 61.35 H new ATOM 0 HB THR A 951 21.417 -8.579 -20.227 1.00 53.31 H new ATOM 0 HG1 THR A 951 22.028 -6.569 -19.545 1.00 51.41 H new ATOM 0 HG21 THR A 951 23.503 -9.636 -19.444 1.00 64.01 H new ATOM 0 HG22 THR A 951 23.048 -10.201 -21.069 1.00 64.01 H new ATOM 0 HG23 THR A 951 24.353 -9.007 -20.876 1.00 64.01 H new ATOM 698 N GLU A 952 20.594 -9.397 -22.906 1.00 53.23 N ATOM 699 CA GLU A 952 20.149 -10.554 -23.673 1.00 71.34 C ATOM 700 C GLU A 952 20.301 -10.305 -25.171 1.00 74.23 C ATOM 701 O GLU A 952 20.894 -11.111 -25.889 1.00 45.13 O ATOM 702 CB GLU A 952 18.691 -10.882 -23.345 1.00 31.21 C ATOM 703 CG GLU A 952 18.347 -12.354 -23.504 1.00 40.42 C ATOM 704 CD GLU A 952 19.208 -13.251 -22.637 1.00 64.21 C ATOM 705 OE1 GLU A 952 19.538 -12.842 -21.504 1.00 15.20 O ATOM 706 OE2 GLU A 952 19.553 -14.362 -23.091 1.00 44.01 O ATOM 0 H GLU A 952 19.855 -8.929 -22.382 1.00 53.23 H new ATOM 0 HA GLU A 952 20.775 -11.402 -23.398 1.00 71.34 H new ATOM 0 HB2 GLU A 952 18.481 -10.577 -22.320 1.00 31.21 H new ATOM 0 HB3 GLU A 952 18.041 -10.294 -23.992 1.00 31.21 H new ATOM 0 HG2 GLU A 952 17.298 -12.508 -23.250 1.00 40.42 H new ATOM 0 HG3 GLU A 952 18.467 -12.641 -24.549 1.00 40.42 H new ATOM 713 N LEU A 953 19.759 -9.185 -25.636 1.00 42.23 N ATOM 714 CA LEU A 953 19.833 -8.828 -27.049 1.00 61.30 C ATOM 715 C LEU A 953 21.281 -8.794 -27.527 1.00 2.41 C ATOM 716 O LEU A 953 21.593 -9.241 -28.632 1.00 14.44 O ATOM 717 CB LEU A 953 19.173 -7.469 -27.288 1.00 33.35 C ATOM 718 CG LEU A 953 17.741 -7.319 -26.772 1.00 30.11 C ATOM 719 CD1 LEU A 953 17.119 -6.032 -27.291 1.00 71.23 C ATOM 720 CD2 LEU A 953 16.900 -8.521 -27.176 1.00 32.24 C ATOM 0 H LEU A 953 19.263 -8.508 -25.056 1.00 42.23 H new ATOM 0 HA LEU A 953 19.299 -9.589 -27.619 1.00 61.30 H new ATOM 0 HB2 LEU A 953 19.789 -6.701 -26.820 1.00 33.35 H new ATOM 0 HB3 LEU A 953 19.175 -7.270 -28.360 1.00 33.35 H new ATOM 0 HG LEU A 953 17.770 -7.271 -25.683 1.00 30.11 H new ATOM 0 HD11 LEU A 953 16.100 -5.942 -26.914 1.00 71.23 H new ATOM 0 HD12 LEU A 953 17.708 -5.180 -26.951 1.00 71.23 H new ATOM 0 HD13 LEU A 953 17.102 -6.050 -28.381 1.00 71.23 H new ATOM 0 HD21 LEU A 953 15.884 -8.397 -26.800 1.00 32.24 H new ATOM 0 HD22 LEU A 953 16.878 -8.601 -28.263 1.00 32.24 H new ATOM 0 HD23 LEU A 953 17.335 -9.427 -26.755 1.00 32.24 H new ATOM 732 N LEU A 954 22.163 -8.262 -26.687 1.00 60.25 N ATOM 733 CA LEU A 954 23.580 -8.171 -27.023 1.00 31.23 C ATOM 734 C LEU A 954 24.167 -9.554 -27.285 1.00 63.20 C ATOM 735 O LEU A 954 24.604 -9.852 -28.396 1.00 62.22 O ATOM 736 CB LEU A 954 24.348 -7.484 -25.893 1.00 24.03 C ATOM 737 CG LEU A 954 24.981 -6.134 -26.235 1.00 32.52 C ATOM 738 CD1 LEU A 954 23.950 -5.021 -26.132 1.00 4.34 C ATOM 739 CD2 LEU A 954 26.165 -5.854 -25.322 1.00 4.22 C ATOM 0 H LEU A 954 21.922 -7.888 -25.769 1.00 60.25 H new ATOM 0 HA LEU A 954 23.676 -7.578 -27.932 1.00 31.23 H new ATOM 0 HB2 LEU A 954 23.668 -7.341 -25.053 1.00 24.03 H new ATOM 0 HB3 LEU A 954 25.136 -8.157 -25.555 1.00 24.03 H new ATOM 0 HG LEU A 954 25.342 -6.173 -27.263 1.00 32.52 H new ATOM 0 HD11 LEU A 954 24.418 -4.068 -26.379 1.00 4.34 H new ATOM 0 HD12 LEU A 954 23.134 -5.216 -26.828 1.00 4.34 H new ATOM 0 HD13 LEU A 954 23.558 -4.981 -25.116 1.00 4.34 H new ATOM 0 HD21 LEU A 954 26.603 -4.890 -25.580 1.00 4.22 H new ATOM 0 HD22 LEU A 954 25.829 -5.834 -24.285 1.00 4.22 H new ATOM 0 HD23 LEU A 954 26.913 -6.637 -25.446 1.00 4.22 H new