USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=9 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 Set 1.1: A 942 HIS : no HE2:sc= -7.11! C(o=-7.4!,f=-8.6!) USER MOD Set 1.2: A 948 GLN : amide:sc= -0.286 X(o=-7.4,f=-7) USER MOD Single : A 917 THR OG1 : rot 32:sc= 0.0303 USER MOD Single : A 921 MET CE :methyl 146:sc= -0.374 (180deg=-0.868) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.313 F(o=-0.87,f=-0.31) USER MOD Single : A 927 MET CE :methyl -100:sc= -0.508 (180deg=-1.28) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.2) USER MOD Single : A 935 ASN : amide:sc= -5.58! C(o=-5.6!,f=-9.5!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ -144:sc= 0.499 (180deg=-0.773) USER MOD Single : A 943 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.26) USER MOD Single : A 951 THR OG1 : rot 88:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.743 2.189 -19.668 1.00 21.13 N ATOM 115 CA THR A 917 9.144 1.231 -20.691 1.00 13.43 C ATOM 116 C THR A 917 9.488 1.936 -21.998 1.00 63.51 C ATOM 117 O THR A 917 10.428 1.550 -22.693 1.00 20.13 O ATOM 118 CB THR A 917 8.035 0.195 -20.956 1.00 11.44 C ATOM 119 OG1 THR A 917 7.762 -0.547 -19.762 1.00 5.34 O ATOM 120 CG2 THR A 917 8.440 -0.758 -22.070 1.00 11.22 C ATOM 0 HA THR A 917 10.028 0.717 -20.314 1.00 13.43 H new ATOM 0 HB THR A 917 7.136 0.729 -21.265 1.00 11.44 H new ATOM 0 HG1 THR A 917 7.913 0.024 -18.980 1.00 5.34 H new ATOM 0 HG21 THR A 917 7.641 -1.480 -22.239 1.00 11.22 H new ATOM 0 HG22 THR A 917 8.618 -0.193 -22.985 1.00 11.22 H new ATOM 0 HG23 THR A 917 9.351 -1.284 -21.785 1.00 11.22 H new ATOM 128 N ALA A 918 8.722 2.970 -22.327 1.00 41.32 N ATOM 129 CA ALA A 918 8.949 3.730 -23.550 1.00 53.13 C ATOM 130 C ALA A 918 10.367 4.289 -23.595 1.00 32.12 C ATOM 131 O ALA A 918 10.970 4.392 -24.662 1.00 63.13 O ATOM 132 CB ALA A 918 7.932 4.856 -23.668 1.00 72.35 C ATOM 0 H ALA A 918 7.939 3.301 -21.764 1.00 41.32 H new ATOM 0 HA ALA A 918 8.827 3.054 -24.396 1.00 53.13 H new ATOM 0 HB1 ALA A 918 8.113 5.415 -24.586 1.00 72.35 H new ATOM 0 HB2 ALA A 918 6.926 4.437 -23.691 1.00 72.35 H new ATOM 0 HB3 ALA A 918 8.027 5.524 -22.812 1.00 72.35 H new ATOM 138 N ALA A 919 10.893 4.649 -22.429 1.00 32.04 N ATOM 139 CA ALA A 919 12.241 5.196 -22.335 1.00 15.22 C ATOM 140 C ALA A 919 13.290 4.098 -22.471 1.00 54.05 C ATOM 141 O ALA A 919 14.323 4.289 -23.115 1.00 34.41 O ATOM 142 CB ALA A 919 12.419 5.938 -21.018 1.00 75.13 C ATOM 0 H ALA A 919 10.406 4.572 -21.536 1.00 32.04 H new ATOM 0 HA ALA A 919 12.379 5.898 -23.157 1.00 15.22 H new ATOM 0 HB1 ALA A 919 13.430 6.341 -20.961 1.00 75.13 H new ATOM 0 HB2 ALA A 919 11.699 6.754 -20.960 1.00 75.13 H new ATOM 0 HB3 ALA A 919 12.255 5.251 -20.188 1.00 75.13 H new ATOM 148 N LEU A 920 13.019 2.949 -21.862 1.00 61.14 N ATOM 149 CA LEU A 920 13.941 1.819 -21.916 1.00 13.34 C ATOM 150 C LEU A 920 14.180 1.379 -23.356 1.00 43.44 C ATOM 151 O LEU A 920 15.299 1.029 -23.731 1.00 31.44 O ATOM 152 CB LEU A 920 13.392 0.649 -21.098 1.00 32.04 C ATOM 153 CG LEU A 920 12.837 0.998 -19.716 1.00 72.41 C ATOM 154 CD1 LEU A 920 12.342 -0.254 -19.008 1.00 74.14 C ATOM 155 CD2 LEU A 920 13.894 1.703 -18.879 1.00 60.11 C ATOM 0 H LEU A 920 12.169 2.775 -21.325 1.00 61.14 H new ATOM 0 HA LEU A 920 14.893 2.138 -21.491 1.00 13.34 H new ATOM 0 HB2 LEU A 920 12.601 0.168 -21.674 1.00 32.04 H new ATOM 0 HB3 LEU A 920 14.187 -0.086 -20.973 1.00 32.04 H new ATOM 0 HG LEU A 920 11.993 1.676 -19.845 1.00 72.41 H new ATOM 0 HD11 LEU A 920 11.951 0.014 -18.026 1.00 74.14 H new ATOM 0 HD12 LEU A 920 11.553 -0.718 -19.599 1.00 74.14 H new ATOM 0 HD13 LEU A 920 13.168 -0.956 -18.890 1.00 74.14 H new ATOM 0 HD21 LEU A 920 13.481 1.944 -17.899 1.00 60.11 H new ATOM 0 HD22 LEU A 920 14.758 1.050 -18.758 1.00 60.11 H new ATOM 0 HD23 LEU A 920 14.201 2.622 -19.379 1.00 60.11 H new ATOM 167 N MET A 921 13.122 1.403 -24.160 1.00 64.15 N ATOM 168 CA MET A 921 13.219 1.010 -25.561 1.00 60.35 C ATOM 169 C MET A 921 14.295 1.818 -26.280 1.00 54.11 C ATOM 170 O MET A 921 14.997 1.301 -27.148 1.00 73.33 O ATOM 171 CB MET A 921 11.871 1.198 -26.260 1.00 61.32 C ATOM 172 CG MET A 921 10.761 0.336 -25.681 1.00 70.22 C ATOM 173 SD MET A 921 9.531 -0.132 -26.913 1.00 75.23 S ATOM 174 CE MET A 921 9.347 -1.879 -26.562 1.00 14.22 C ATOM 0 H MET A 921 12.189 1.690 -23.866 1.00 64.15 H new ATOM 0 HA MET A 921 13.496 -0.044 -25.598 1.00 60.35 H new ATOM 0 HB2 MET A 921 11.579 2.246 -26.192 1.00 61.32 H new ATOM 0 HB3 MET A 921 11.985 0.967 -27.319 1.00 61.32 H new ATOM 0 HG2 MET A 921 11.195 -0.564 -25.246 1.00 70.22 H new ATOM 0 HG3 MET A 921 10.271 0.877 -24.871 1.00 70.22 H new ATOM 0 HE1 MET A 921 8.315 -2.180 -26.742 1.00 14.22 H new ATOM 0 HE2 MET A 921 10.010 -2.452 -27.210 1.00 14.22 H new ATOM 0 HE3 MET A 921 9.604 -2.070 -25.520 1.00 14.22 H new ATOM 184 N ALA A 922 14.418 3.089 -25.913 1.00 14.34 N ATOM 185 CA ALA A 922 15.409 3.968 -26.521 1.00 73.02 C ATOM 186 C ALA A 922 16.825 3.516 -26.182 1.00 41.01 C ATOM 187 O ALA A 922 17.745 3.667 -26.987 1.00 21.23 O ATOM 188 CB ALA A 922 15.189 5.404 -26.070 1.00 13.31 C ATOM 0 H ALA A 922 13.843 3.533 -25.197 1.00 14.34 H new ATOM 0 HA ALA A 922 15.288 3.917 -27.603 1.00 73.02 H new ATOM 0 HB1 ALA A 922 15.936 6.049 -26.532 1.00 13.31 H new ATOM 0 HB2 ALA A 922 14.193 5.731 -26.369 1.00 13.31 H new ATOM 0 HB3 ALA A 922 15.280 5.463 -24.985 1.00 13.31 H new ATOM 194 N HIS A 923 16.994 2.962 -24.986 1.00 20.23 N ATOM 195 CA HIS A 923 18.300 2.488 -24.540 1.00 75.22 C ATOM 196 C HIS A 923 18.827 1.397 -25.468 1.00 1.32 C ATOM 197 O HIS A 923 20.027 1.323 -25.736 1.00 20.20 O ATOM 198 CB HIS A 923 18.212 1.958 -23.109 1.00 31.42 C ATOM 199 CG HIS A 923 17.784 2.991 -22.112 1.00 62.15 C ATOM 200 ND1 HIS A 923 17.296 2.861 -20.857 1.00 63.41 N flip ATOM 201 CD2 HIS A 923 17.833 4.346 -22.365 1.00 10.23 C flip ATOM 202 CE1 HIS A 923 17.062 4.127 -20.378 1.00 63.52 C flip ATOM 203 NE2 HIS A 923 17.395 5.005 -21.307 1.00 25.11 N flip ATOM 0 H HIS A 923 16.243 2.830 -24.308 1.00 20.23 H new ATOM 0 HA HIS A 923 18.993 3.329 -24.566 1.00 75.22 H new ATOM 0 HB2 HIS A 923 17.509 1.125 -23.081 1.00 31.42 H new ATOM 0 HB3 HIS A 923 19.185 1.564 -22.816 1.00 31.42 H new ATOM 0 HD2 HIS A 923 18.176 4.798 -23.284 1.00 10.23 H new ATOM 0 HE1 HIS A 923 16.670 4.366 -19.401 1.00 63.52 H new ATOM 0 HE2 HIS A 923 17.326 6.019 -21.222 1.00 25.11 H new ATOM 211 N LEU A 924 17.924 0.553 -25.954 1.00 40.10 N ATOM 212 CA LEU A 924 18.298 -0.534 -26.851 1.00 63.44 C ATOM 213 C LEU A 924 18.541 -0.015 -28.265 1.00 31.11 C ATOM 214 O LEU A 924 19.517 -0.388 -28.916 1.00 21.43 O ATOM 215 CB LEU A 924 17.206 -1.606 -26.870 1.00 4.53 C ATOM 216 CG LEU A 924 16.828 -2.201 -25.513 1.00 72.33 C ATOM 217 CD1 LEU A 924 15.390 -1.855 -25.161 1.00 14.53 C ATOM 218 CD2 LEU A 924 17.029 -3.710 -25.519 1.00 13.34 C ATOM 0 H LEU A 924 16.927 0.601 -25.742 1.00 40.10 H new ATOM 0 HA LEU A 924 19.224 -0.974 -26.481 1.00 63.44 H new ATOM 0 HB2 LEU A 924 16.310 -1.176 -27.318 1.00 4.53 H new ATOM 0 HB3 LEU A 924 17.531 -2.417 -27.522 1.00 4.53 H new ATOM 0 HG LEU A 924 17.480 -1.770 -24.753 1.00 72.33 H new ATOM 0 HD11 LEU A 924 15.139 -2.287 -24.192 1.00 14.53 H new ATOM 0 HD12 LEU A 924 15.277 -0.772 -25.116 1.00 14.53 H new ATOM 0 HD13 LEU A 924 14.722 -2.258 -25.922 1.00 14.53 H new ATOM 0 HD21 LEU A 924 16.755 -4.117 -24.546 1.00 13.34 H new ATOM 0 HD22 LEU A 924 16.401 -4.158 -26.289 1.00 13.34 H new ATOM 0 HD23 LEU A 924 18.075 -3.937 -25.726 1.00 13.34 H new ATOM 230 N PHE A 925 17.647 0.850 -28.733 1.00 64.13 N ATOM 231 CA PHE A 925 17.765 1.422 -30.070 1.00 12.15 C ATOM 232 C PHE A 925 19.111 2.119 -30.246 1.00 53.13 C ATOM 233 O PHE A 925 19.631 2.213 -31.357 1.00 70.34 O ATOM 234 CB PHE A 925 16.627 2.413 -30.325 1.00 22.12 C ATOM 235 CG PHE A 925 15.261 1.818 -30.139 1.00 72.41 C ATOM 236 CD1 PHE A 925 15.014 0.497 -30.479 1.00 52.40 C ATOM 237 CD2 PHE A 925 14.223 2.579 -29.625 1.00 61.42 C ATOM 238 CE1 PHE A 925 13.758 -0.054 -30.309 1.00 54.31 C ATOM 239 CE2 PHE A 925 12.965 2.033 -29.453 1.00 21.13 C ATOM 240 CZ PHE A 925 12.732 0.716 -29.796 1.00 73.42 C ATOM 0 H PHE A 925 16.834 1.170 -28.207 1.00 64.13 H new ATOM 0 HA PHE A 925 17.699 0.610 -30.794 1.00 12.15 H new ATOM 0 HB2 PHE A 925 16.739 3.263 -29.652 1.00 22.12 H new ATOM 0 HB3 PHE A 925 16.712 2.797 -31.341 1.00 22.12 H new ATOM 0 HD1 PHE A 925 15.812 -0.109 -30.881 1.00 52.40 H new ATOM 0 HD2 PHE A 925 14.399 3.610 -29.356 1.00 61.42 H new ATOM 0 HE1 PHE A 925 13.579 -1.085 -30.577 1.00 54.31 H new ATOM 0 HE2 PHE A 925 12.165 2.636 -29.051 1.00 21.13 H new ATOM 0 HZ PHE A 925 11.749 0.288 -29.663 1.00 73.42 H new ATOM 250 N GLU A 926 19.667 2.607 -29.142 1.00 65.30 N ATOM 251 CA GLU A 926 20.952 3.296 -29.175 1.00 52.44 C ATOM 252 C GLU A 926 22.070 2.344 -29.589 1.00 2.03 C ATOM 253 O GLU A 926 23.118 2.773 -30.072 1.00 74.31 O ATOM 254 CB GLU A 926 21.265 3.905 -27.807 1.00 31.33 C ATOM 255 CG GLU A 926 20.489 5.178 -27.515 1.00 11.12 C ATOM 256 CD GLU A 926 20.341 5.444 -26.029 1.00 64.32 C ATOM 257 OE1 GLU A 926 20.821 4.614 -25.228 1.00 74.43 O ATOM 258 OE2 GLU A 926 19.747 6.480 -25.667 1.00 41.54 O ATOM 0 H GLU A 926 19.248 2.538 -28.214 1.00 65.30 H new ATOM 0 HA GLU A 926 20.888 4.095 -29.914 1.00 52.44 H new ATOM 0 HB2 GLU A 926 21.045 3.170 -27.033 1.00 31.33 H new ATOM 0 HB3 GLU A 926 22.332 4.119 -27.750 1.00 31.33 H new ATOM 0 HG2 GLU A 926 20.995 6.023 -27.983 1.00 11.12 H new ATOM 0 HG3 GLU A 926 19.500 5.108 -27.968 1.00 11.12 H new ATOM 265 N MET A 927 21.839 1.050 -29.394 1.00 64.20 N ATOM 266 CA MET A 927 22.827 0.036 -29.747 1.00 12.31 C ATOM 267 C MET A 927 22.735 -0.320 -31.227 1.00 75.42 C ATOM 268 O MET A 927 23.750 -0.535 -31.888 1.00 74.52 O ATOM 269 CB MET A 927 22.628 -1.219 -28.895 1.00 2.54 C ATOM 270 CG MET A 927 23.047 -1.040 -27.444 1.00 74.41 C ATOM 271 SD MET A 927 23.707 -2.554 -26.721 1.00 32.42 S ATOM 272 CE MET A 927 25.031 -1.897 -25.709 1.00 72.04 C ATOM 0 H MET A 927 20.977 0.679 -28.994 1.00 64.20 H new ATOM 0 HA MET A 927 23.818 0.446 -29.551 1.00 12.31 H new ATOM 0 HB2 MET A 927 21.578 -1.508 -28.929 1.00 2.54 H new ATOM 0 HB3 MET A 927 23.199 -2.039 -29.331 1.00 2.54 H new ATOM 0 HG2 MET A 927 23.799 -0.254 -27.381 1.00 74.41 H new ATOM 0 HG3 MET A 927 22.189 -0.707 -26.860 1.00 74.41 H new ATOM 0 HE1 MET A 927 25.981 -2.021 -26.228 1.00 72.04 H new ATOM 0 HE2 MET A 927 24.855 -0.838 -25.522 1.00 72.04 H new ATOM 0 HE3 MET A 927 25.063 -2.432 -24.760 1.00 72.04 H new ATOM 282 N GLY A 928 21.510 -0.382 -31.742 1.00 11.15 N ATOM 283 CA GLY A 928 21.308 -0.713 -33.140 1.00 24.40 C ATOM 284 C GLY A 928 20.353 -1.875 -33.329 1.00 22.14 C ATOM 285 O GLY A 928 20.162 -2.356 -34.446 1.00 11.02 O ATOM 0 H GLY A 928 20.654 -0.209 -31.215 1.00 11.15 H new ATOM 0 HA2 GLY A 928 20.921 0.160 -33.665 1.00 24.40 H new ATOM 0 HA3 GLY A 928 22.268 -0.958 -33.594 1.00 24.40 H new ATOM 289 N PHE A 929 19.753 -2.329 -32.234 1.00 34.15 N ATOM 290 CA PHE A 929 18.814 -3.444 -32.283 1.00 11.12 C ATOM 291 C PHE A 929 17.597 -3.093 -33.134 1.00 12.04 C ATOM 292 O PHE A 929 17.335 -3.730 -34.154 1.00 71.53 O ATOM 293 CB PHE A 929 18.369 -3.827 -30.870 1.00 2.33 C ATOM 294 CG PHE A 929 19.426 -4.549 -30.084 1.00 33.41 C ATOM 295 CD1 PHE A 929 19.975 -5.730 -30.558 1.00 54.21 C ATOM 296 CD2 PHE A 929 19.869 -4.048 -28.871 1.00 24.44 C ATOM 297 CE1 PHE A 929 20.947 -6.397 -29.838 1.00 23.23 C ATOM 298 CE2 PHE A 929 20.842 -4.711 -28.146 1.00 60.10 C ATOM 299 CZ PHE A 929 21.381 -5.888 -28.629 1.00 52.55 C ATOM 0 H PHE A 929 19.900 -1.942 -31.302 1.00 34.15 H new ATOM 0 HA PHE A 929 19.322 -4.294 -32.739 1.00 11.12 H new ATOM 0 HB2 PHE A 929 18.080 -2.924 -30.332 1.00 2.33 H new ATOM 0 HB3 PHE A 929 17.482 -4.457 -30.935 1.00 2.33 H new ATOM 0 HD1 PHE A 929 19.639 -6.134 -31.502 1.00 54.21 H new ATOM 0 HD2 PHE A 929 19.450 -3.130 -28.487 1.00 24.44 H new ATOM 0 HE1 PHE A 929 21.367 -7.316 -30.220 1.00 23.23 H new ATOM 0 HE2 PHE A 929 21.181 -4.309 -27.203 1.00 60.10 H new ATOM 0 HZ PHE A 929 22.139 -6.409 -28.063 1.00 52.55 H new ATOM 309 N CYS A 930 16.857 -2.076 -32.706 1.00 31.13 N ATOM 310 CA CYS A 930 15.666 -1.640 -33.427 1.00 22.34 C ATOM 311 C CYS A 930 14.611 -2.742 -33.450 1.00 44.35 C ATOM 312 O CYS A 930 13.818 -2.835 -34.387 1.00 52.10 O ATOM 313 CB CYS A 930 16.030 -1.235 -34.856 1.00 12.43 C ATOM 314 SG CYS A 930 17.429 -0.095 -34.966 1.00 42.01 S ATOM 0 H CYS A 930 17.061 -1.538 -31.864 1.00 31.13 H new ATOM 0 HA CYS A 930 15.252 -0.776 -32.907 1.00 22.34 H new ATOM 0 HB2 CYS A 930 16.261 -2.133 -35.429 1.00 12.43 H new ATOM 0 HB3 CYS A 930 15.161 -0.773 -35.324 1.00 12.43 H new ATOM 0 HG CYS A 930 17.662 0.187 -36.213 1.00 42.01 H new ATOM 320 N ASP A 931 14.610 -3.575 -32.416 1.00 1.44 N ATOM 321 CA ASP A 931 13.653 -4.671 -32.318 1.00 4.14 C ATOM 322 C ASP A 931 12.652 -4.419 -31.195 1.00 30.54 C ATOM 323 O ASP A 931 12.774 -4.978 -30.104 1.00 71.14 O ATOM 324 CB ASP A 931 14.384 -5.994 -32.080 1.00 55.40 C ATOM 325 CG ASP A 931 15.458 -6.256 -33.117 1.00 74.52 C ATOM 326 OD1 ASP A 931 15.155 -6.152 -34.324 1.00 13.21 O ATOM 327 OD2 ASP A 931 16.601 -6.568 -32.722 1.00 51.31 O ATOM 0 H ASP A 931 15.261 -3.513 -31.633 1.00 1.44 H new ATOM 0 HA ASP A 931 13.107 -4.731 -33.260 1.00 4.14 H new ATOM 0 HB2 ASP A 931 14.836 -5.983 -31.088 1.00 55.40 H new ATOM 0 HB3 ASP A 931 13.663 -6.812 -32.093 1.00 55.40 H new ATOM 332 N ARG A 932 11.663 -3.575 -31.468 1.00 43.35 N ATOM 333 CA ARG A 932 10.642 -3.247 -30.481 1.00 23.45 C ATOM 334 C ARG A 932 9.937 -4.508 -29.990 1.00 32.34 C ATOM 335 O ARG A 932 9.421 -4.547 -28.873 1.00 52.31 O ATOM 336 CB ARG A 932 9.620 -2.277 -31.075 1.00 0.34 C ATOM 337 CG ARG A 932 8.627 -2.939 -32.015 1.00 54.34 C ATOM 338 CD ARG A 932 9.287 -3.353 -33.321 1.00 71.10 C ATOM 339 NE ARG A 932 10.020 -2.251 -33.938 1.00 13.32 N ATOM 340 CZ ARG A 932 9.431 -1.204 -34.507 1.00 23.42 C ATOM 341 NH1 ARG A 932 8.109 -1.119 -34.537 1.00 15.33 N ATOM 342 NH2 ARG A 932 10.166 -0.241 -35.047 1.00 44.11 N ATOM 0 H ARG A 932 11.547 -3.105 -32.366 1.00 43.35 H new ATOM 0 HA ARG A 932 11.133 -2.771 -29.632 1.00 23.45 H new ATOM 0 HB2 ARG A 932 9.074 -1.796 -30.263 1.00 0.34 H new ATOM 0 HB3 ARG A 932 10.149 -1.491 -31.614 1.00 0.34 H new ATOM 0 HG2 ARG A 932 8.194 -3.815 -31.531 1.00 54.34 H new ATOM 0 HG3 ARG A 932 7.807 -2.252 -32.222 1.00 54.34 H new ATOM 0 HD2 ARG A 932 9.969 -4.183 -33.135 1.00 71.10 H new ATOM 0 HD3 ARG A 932 8.526 -3.714 -34.013 1.00 71.10 H new ATOM 0 HE ARG A 932 11.039 -2.287 -33.932 1.00 13.32 H new ATOM 0 HH11 ARG A 932 7.541 -1.858 -34.123 1.00 15.33 H new ATOM 0 HH12 ARG A 932 7.659 -0.315 -34.974 1.00 15.33 H new ATOM 0 HH21 ARG A 932 11.184 -0.304 -35.026 1.00 44.11 H new ATOM 0 HH22 ARG A 932 9.713 0.562 -35.483 1.00 44.11 H new ATOM 356 N GLN A 933 9.919 -5.536 -30.832 1.00 71.21 N ATOM 357 CA GLN A 933 9.276 -6.798 -30.484 1.00 13.52 C ATOM 358 C GLN A 933 10.087 -7.551 -29.435 1.00 11.23 C ATOM 359 O GLN A 933 9.542 -8.030 -28.440 1.00 33.44 O ATOM 360 CB GLN A 933 9.100 -7.666 -31.731 1.00 24.35 C ATOM 361 CG GLN A 933 8.350 -6.972 -32.855 1.00 52.33 C ATOM 362 CD GLN A 933 7.723 -7.950 -33.830 1.00 1.44 C ATOM 363 OE1 GLN A 933 7.958 -9.156 -33.754 1.00 11.12 O ATOM 364 NE2 GLN A 933 6.920 -7.433 -34.753 1.00 32.45 N ATOM 0 H GLN A 933 10.342 -5.520 -31.760 1.00 71.21 H new ATOM 0 HA GLN A 933 8.295 -6.574 -30.065 1.00 13.52 H new ATOM 0 HB2 GLN A 933 10.082 -7.969 -32.094 1.00 24.35 H new ATOM 0 HB3 GLN A 933 8.566 -8.576 -31.457 1.00 24.35 H new ATOM 0 HG2 GLN A 933 7.571 -6.339 -32.430 1.00 52.33 H new ATOM 0 HG3 GLN A 933 9.035 -6.317 -33.393 1.00 52.33 H new ATOM 0 HE21 GLN A 933 6.754 -6.427 -34.779 1.00 32.45 H new ATOM 0 HE22 GLN A 933 6.470 -8.042 -35.436 1.00 32.45 H new ATOM 373 N LEU A 934 11.392 -7.652 -29.663 1.00 55.23 N ATOM 374 CA LEU A 934 12.279 -8.347 -28.738 1.00 31.53 C ATOM 375 C LEU A 934 12.297 -7.657 -27.378 1.00 11.02 C ATOM 376 O LEU A 934 12.072 -8.289 -26.347 1.00 24.33 O ATOM 377 CB LEU A 934 13.696 -8.410 -29.309 1.00 64.42 C ATOM 378 CG LEU A 934 14.086 -9.720 -29.995 1.00 61.31 C ATOM 379 CD1 LEU A 934 13.016 -10.140 -30.991 1.00 62.20 C ATOM 380 CD2 LEU A 934 15.435 -9.580 -30.686 1.00 32.02 C ATOM 0 H LEU A 934 11.859 -7.261 -30.481 1.00 55.23 H new ATOM 0 HA LEU A 934 11.902 -9.361 -28.605 1.00 31.53 H new ATOM 0 HB2 LEU A 934 13.813 -7.598 -30.027 1.00 64.42 H new ATOM 0 HB3 LEU A 934 14.401 -8.223 -28.499 1.00 64.42 H new ATOM 0 HG LEU A 934 14.169 -10.495 -29.234 1.00 61.31 H new ATOM 0 HD11 LEU A 934 13.311 -11.074 -31.469 1.00 62.20 H new ATOM 0 HD12 LEU A 934 12.069 -10.282 -30.470 1.00 62.20 H new ATOM 0 HD13 LEU A 934 12.900 -9.365 -31.749 1.00 62.20 H new ATOM 0 HD21 LEU A 934 15.696 -10.522 -31.169 1.00 32.02 H new ATOM 0 HD22 LEU A 934 15.379 -8.791 -31.436 1.00 32.02 H new ATOM 0 HD23 LEU A 934 16.197 -9.327 -29.949 1.00 32.02 H new ATOM 392 N ASN A 935 12.564 -6.355 -27.384 1.00 55.14 N ATOM 393 CA ASN A 935 12.609 -5.578 -26.151 1.00 51.32 C ATOM 394 C ASN A 935 11.324 -5.756 -25.348 1.00 52.34 C ATOM 395 O ASN A 935 11.327 -5.660 -24.120 1.00 45.34 O ATOM 396 CB ASN A 935 12.826 -4.096 -26.465 1.00 62.13 C ATOM 397 CG ASN A 935 13.826 -3.883 -27.585 1.00 65.21 C ATOM 398 OD1 ASN A 935 14.844 -4.572 -27.663 1.00 73.11 O ATOM 399 ND2 ASN A 935 13.541 -2.925 -28.459 1.00 11.21 N ATOM 0 H ASN A 935 12.752 -5.816 -28.229 1.00 55.14 H new ATOM 0 HA ASN A 935 13.444 -5.942 -25.552 1.00 51.32 H new ATOM 0 HB2 ASN A 935 11.874 -3.643 -26.741 1.00 62.13 H new ATOM 0 HB3 ASN A 935 13.175 -3.585 -25.568 1.00 62.13 H new ATOM 0 HD21 ASN A 935 14.177 -2.736 -29.234 1.00 11.21 H new ATOM 0 HD22 ASN A 935 12.686 -2.378 -28.356 1.00 11.21 H new ATOM 406 N LEU A 936 10.226 -6.016 -26.050 1.00 1.02 N ATOM 407 CA LEU A 936 8.933 -6.209 -25.403 1.00 53.51 C ATOM 408 C LEU A 936 8.866 -7.567 -24.712 1.00 40.23 C ATOM 409 O LEU A 936 8.520 -7.659 -23.534 1.00 42.04 O ATOM 410 CB LEU A 936 7.804 -6.090 -26.429 1.00 45.52 C ATOM 411 CG LEU A 936 6.442 -5.661 -25.882 1.00 63.05 C ATOM 412 CD1 LEU A 936 5.901 -6.706 -24.919 1.00 2.21 C ATOM 413 CD2 LEU A 936 6.544 -4.305 -25.200 1.00 3.14 C ATOM 0 H LEU A 936 10.205 -6.098 -27.066 1.00 1.02 H new ATOM 0 HA LEU A 936 8.813 -5.432 -24.648 1.00 53.51 H new ATOM 0 HB2 LEU A 936 8.108 -5.374 -27.193 1.00 45.52 H new ATOM 0 HB3 LEU A 936 7.687 -7.054 -26.924 1.00 45.52 H new ATOM 0 HG LEU A 936 5.747 -5.573 -26.717 1.00 63.05 H new ATOM 0 HD11 LEU A 936 4.931 -6.384 -24.540 1.00 2.21 H new ATOM 0 HD12 LEU A 936 5.789 -7.657 -25.439 1.00 2.21 H new ATOM 0 HD13 LEU A 936 6.594 -6.827 -24.087 1.00 2.21 H new ATOM 0 HD21 LEU A 936 5.565 -4.016 -24.817 1.00 3.14 H new ATOM 0 HD22 LEU A 936 7.253 -4.365 -24.375 1.00 3.14 H new ATOM 0 HD23 LEU A 936 6.886 -3.561 -25.919 1.00 3.14 H new ATOM 425 N ARG A 937 9.201 -8.618 -25.453 1.00 23.44 N ATOM 426 CA ARG A 937 9.180 -9.972 -24.911 1.00 45.11 C ATOM 427 C ARG A 937 10.273 -10.155 -23.862 1.00 44.40 C ATOM 428 O ARG A 937 10.135 -10.958 -22.939 1.00 71.51 O ATOM 429 CB ARG A 937 9.360 -10.996 -26.033 1.00 54.14 C ATOM 430 CG ARG A 937 10.813 -11.249 -26.401 1.00 14.12 C ATOM 431 CD ARG A 937 11.369 -12.460 -25.669 1.00 64.34 C ATOM 432 NE ARG A 937 10.620 -13.676 -25.974 1.00 54.11 N ATOM 433 CZ ARG A 937 10.692 -14.311 -27.138 1.00 74.35 C ATOM 434 NH1 ARG A 937 11.476 -13.849 -28.102 1.00 54.25 N ATOM 435 NH2 ARG A 937 9.979 -15.412 -27.340 1.00 55.02 N ATOM 0 H ARG A 937 9.490 -8.559 -26.429 1.00 23.44 H new ATOM 0 HA ARG A 937 8.212 -10.130 -24.435 1.00 45.11 H new ATOM 0 HB2 ARG A 937 8.902 -11.938 -25.731 1.00 54.14 H new ATOM 0 HB3 ARG A 937 8.825 -10.651 -26.918 1.00 54.14 H new ATOM 0 HG2 ARG A 937 10.896 -11.403 -27.477 1.00 14.12 H new ATOM 0 HG3 ARG A 937 11.410 -10.370 -26.158 1.00 14.12 H new ATOM 0 HD2 ARG A 937 12.415 -12.600 -25.943 1.00 64.34 H new ATOM 0 HD3 ARG A 937 11.342 -12.278 -24.595 1.00 64.34 H new ATOM 0 HE ARG A 937 10.008 -14.059 -25.253 1.00 54.11 H new ATOM 0 HH11 ARG A 937 12.026 -13.003 -27.951 1.00 54.25 H new ATOM 0 HH12 ARG A 937 11.529 -14.339 -28.995 1.00 54.25 H new ATOM 0 HH21 ARG A 937 9.375 -15.771 -26.601 1.00 55.02 H new ATOM 0 HH22 ARG A 937 10.035 -15.899 -28.235 1.00 55.02 H new ATOM 449 N LEU A 938 11.360 -9.404 -24.010 1.00 74.32 N ATOM 450 CA LEU A 938 12.477 -9.483 -23.076 1.00 22.20 C ATOM 451 C LEU A 938 12.131 -8.805 -21.754 1.00 43.24 C ATOM 452 O LEU A 938 12.353 -9.365 -20.680 1.00 1.21 O ATOM 453 CB LEU A 938 13.723 -8.836 -23.684 1.00 54.21 C ATOM 454 CG LEU A 938 14.815 -9.795 -24.156 1.00 64.42 C ATOM 455 CD1 LEU A 938 15.311 -10.650 -23.000 1.00 70.33 C ATOM 456 CD2 LEU A 938 14.302 -10.673 -25.289 1.00 1.51 C ATOM 0 H LEU A 938 11.491 -8.734 -24.768 1.00 74.32 H new ATOM 0 HA LEU A 938 12.681 -10.536 -22.880 1.00 22.20 H new ATOM 0 HB2 LEU A 938 13.413 -8.224 -24.532 1.00 54.21 H new ATOM 0 HB3 LEU A 938 14.155 -8.161 -22.945 1.00 54.21 H new ATOM 0 HG LEU A 938 15.652 -9.205 -24.531 1.00 64.42 H new ATOM 0 HD11 LEU A 938 16.088 -11.327 -23.355 1.00 70.33 H new ATOM 0 HD12 LEU A 938 15.719 -10.007 -22.220 1.00 70.33 H new ATOM 0 HD13 LEU A 938 14.482 -11.230 -22.595 1.00 70.33 H new ATOM 0 HD21 LEU A 938 15.093 -11.349 -25.612 1.00 1.51 H new ATOM 0 HD22 LEU A 938 13.448 -11.254 -24.941 1.00 1.51 H new ATOM 0 HD23 LEU A 938 13.997 -10.045 -26.126 1.00 1.51 H new ATOM 468 N LEU A 939 11.585 -7.597 -21.841 1.00 10.03 N ATOM 469 CA LEU A 939 11.205 -6.842 -20.651 1.00 64.15 C ATOM 470 C LEU A 939 10.351 -7.692 -19.717 1.00 22.25 C ATOM 471 O LEU A 939 10.671 -7.852 -18.538 1.00 42.14 O ATOM 472 CB LEU A 939 10.443 -5.577 -21.048 1.00 51.23 C ATOM 473 CG LEU A 939 11.292 -4.325 -21.276 1.00 74.42 C ATOM 474 CD1 LEU A 939 10.469 -3.238 -21.950 1.00 11.03 C ATOM 475 CD2 LEU A 939 11.866 -3.824 -19.960 1.00 3.34 C ATOM 0 H LEU A 939 11.395 -7.119 -22.722 1.00 10.03 H new ATOM 0 HA LEU A 939 12.116 -6.559 -20.123 1.00 64.15 H new ATOM 0 HB2 LEU A 939 9.885 -5.785 -21.961 1.00 51.23 H new ATOM 0 HB3 LEU A 939 9.711 -5.359 -20.270 1.00 51.23 H new ATOM 0 HG LEU A 939 12.121 -4.585 -21.935 1.00 74.42 H new ATOM 0 HD11 LEU A 939 11.089 -2.355 -22.104 1.00 11.03 H new ATOM 0 HD12 LEU A 939 10.107 -3.600 -22.912 1.00 11.03 H new ATOM 0 HD13 LEU A 939 9.620 -2.979 -21.317 1.00 11.03 H new ATOM 0 HD21 LEU A 939 12.467 -2.933 -20.141 1.00 3.34 H new ATOM 0 HD22 LEU A 939 11.052 -3.580 -19.277 1.00 3.34 H new ATOM 0 HD23 LEU A 939 12.491 -4.599 -19.517 1.00 3.34 H new ATOM 487 N LYS A 940 9.263 -8.238 -20.250 1.00 4.01 N ATOM 488 CA LYS A 940 8.364 -9.075 -19.465 1.00 72.44 C ATOM 489 C LYS A 940 9.093 -10.302 -18.926 1.00 44.43 C ATOM 490 O LYS A 940 8.729 -10.846 -17.884 1.00 13.53 O ATOM 491 CB LYS A 940 7.169 -9.513 -20.316 1.00 42.42 C ATOM 492 CG LYS A 940 6.399 -8.353 -20.925 1.00 65.53 C ATOM 493 CD LYS A 940 5.045 -8.173 -20.261 1.00 32.20 C ATOM 494 CE LYS A 940 4.347 -6.914 -20.751 1.00 11.20 C ATOM 495 NZ LYS A 940 3.309 -7.217 -21.775 1.00 20.42 N ATOM 0 H LYS A 940 8.983 -8.116 -21.223 1.00 4.01 H new ATOM 0 HA LYS A 940 8.006 -8.487 -18.620 1.00 72.44 H new ATOM 0 HB2 LYS A 940 7.522 -10.164 -21.116 1.00 42.42 H new ATOM 0 HB3 LYS A 940 6.492 -10.104 -19.700 1.00 42.42 H new ATOM 0 HG2 LYS A 940 6.980 -7.436 -20.823 1.00 65.53 H new ATOM 0 HG3 LYS A 940 6.262 -8.527 -21.992 1.00 65.53 H new ATOM 0 HD2 LYS A 940 4.419 -9.041 -20.468 1.00 32.20 H new ATOM 0 HD3 LYS A 940 5.173 -8.122 -19.180 1.00 32.20 H new ATOM 0 HE2 LYS A 940 3.885 -6.403 -19.906 1.00 11.20 H new ATOM 0 HE3 LYS A 940 5.084 -6.231 -21.173 1.00 11.20 H new ATOM 0 HZ1 LYS A 940 2.857 -6.333 -22.083 1.00 20.42 H new ATOM 0 HZ2 LYS A 940 3.753 -7.682 -22.592 1.00 20.42 H new ATOM 0 HZ3 LYS A 940 2.591 -7.848 -21.365 1.00 20.42 H new ATOM 509 N LYS A 941 10.127 -10.732 -19.642 1.00 52.32 N ATOM 510 CA LYS A 941 10.910 -11.892 -19.235 1.00 63.00 C ATOM 511 C LYS A 941 11.840 -11.542 -18.078 1.00 3.31 C ATOM 512 O LYS A 941 12.016 -12.330 -17.148 1.00 74.34 O ATOM 513 CB LYS A 941 11.726 -12.422 -20.416 1.00 70.43 C ATOM 514 CG LYS A 941 12.567 -13.641 -20.077 1.00 12.15 C ATOM 515 CD LYS A 941 13.998 -13.255 -19.742 1.00 60.13 C ATOM 516 CE LYS A 941 14.913 -13.409 -20.948 1.00 13.41 C ATOM 517 NZ LYS A 941 14.964 -14.817 -21.430 1.00 12.34 N ATOM 0 H LYS A 941 10.442 -10.294 -20.508 1.00 52.32 H new ATOM 0 HA LYS A 941 10.219 -12.666 -18.902 1.00 63.00 H new ATOM 0 HB2 LYS A 941 11.048 -12.674 -21.231 1.00 70.43 H new ATOM 0 HB3 LYS A 941 12.380 -11.629 -20.779 1.00 70.43 H new ATOM 0 HG2 LYS A 941 12.123 -14.167 -19.231 1.00 12.15 H new ATOM 0 HG3 LYS A 941 12.563 -14.333 -20.920 1.00 12.15 H new ATOM 0 HD2 LYS A 941 14.025 -12.223 -19.392 1.00 60.13 H new ATOM 0 HD3 LYS A 941 14.363 -13.878 -18.925 1.00 60.13 H new ATOM 0 HE2 LYS A 941 14.565 -12.762 -21.753 1.00 13.41 H new ATOM 0 HE3 LYS A 941 15.918 -13.078 -20.686 1.00 13.41 H new ATOM 0 HZ1 LYS A 941 15.924 -15.034 -21.766 1.00 12.34 H new ATOM 0 HZ2 LYS A 941 14.716 -15.460 -20.651 1.00 12.34 H new ATOM 0 HZ3 LYS A 941 14.288 -14.941 -22.210 1.00 12.34 H new ATOM 531 N HIS A 942 12.433 -10.354 -18.140 1.00 45.31 N ATOM 532 CA HIS A 942 13.344 -9.898 -17.096 1.00 22.33 C ATOM 533 C HIS A 942 12.595 -9.105 -16.029 1.00 71.13 C ATOM 534 O HIS A 942 13.190 -8.628 -15.064 1.00 63.13 O ATOM 535 CB HIS A 942 14.457 -9.040 -17.699 1.00 32.05 C ATOM 536 CG HIS A 942 15.401 -9.809 -18.571 1.00 34.12 C ATOM 537 ND1 HIS A 942 16.211 -10.818 -18.096 1.00 25.21 N ATOM 538 CD2 HIS A 942 15.659 -9.713 -19.896 1.00 72.21 C ATOM 539 CE1 HIS A 942 16.929 -11.309 -19.091 1.00 10.51 C ATOM 540 NE2 HIS A 942 16.612 -10.655 -20.194 1.00 61.44 N ATOM 0 H HIS A 942 12.299 -9.690 -18.902 1.00 45.31 H new ATOM 0 HA HIS A 942 13.787 -10.776 -16.626 1.00 22.33 H new ATOM 0 HB2 HIS A 942 14.009 -8.236 -18.283 1.00 32.05 H new ATOM 0 HB3 HIS A 942 15.021 -8.571 -16.892 1.00 32.05 H new ATOM 0 HD1 HIS A 942 16.250 -11.136 -17.128 1.00 25.21 H new ATOM 0 HD2 HIS A 942 15.201 -9.024 -20.590 1.00 72.21 H new ATOM 0 HE1 HIS A 942 17.651 -12.108 -19.015 1.00 10.51 H new ATOM 548 N ASN A 943 11.285 -8.968 -16.212 1.00 25.14 N ATOM 549 CA ASN A 943 10.455 -8.231 -15.266 1.00 21.44 C ATOM 550 C ASN A 943 10.793 -6.744 -15.289 1.00 12.20 C ATOM 551 O ASN A 943 11.148 -6.161 -14.264 1.00 51.12 O ATOM 552 CB ASN A 943 10.642 -8.786 -13.852 1.00 35.01 C ATOM 553 CG ASN A 943 10.695 -10.301 -13.828 1.00 22.43 C ATOM 554 OD1 ASN A 943 11.634 -10.892 -13.293 1.00 14.13 O ATOM 555 ND2 ASN A 943 9.685 -10.938 -14.409 1.00 64.32 N ATOM 0 H ASN A 943 10.776 -9.357 -17.006 1.00 25.14 H new ATOM 0 HA ASN A 943 9.413 -8.353 -15.563 1.00 21.44 H new ATOM 0 HB2 ASN A 943 11.562 -8.386 -13.427 1.00 35.01 H new ATOM 0 HB3 ASN A 943 9.823 -8.444 -13.219 1.00 35.01 H new ATOM 0 HD21 ASN A 943 9.666 -11.958 -14.424 1.00 64.32 H new ATOM 0 HD22 ASN A 943 8.928 -10.408 -14.840 1.00 64.32 H new ATOM 562 N TYR A 944 10.679 -6.136 -16.464 1.00 41.53 N ATOM 563 CA TYR A 944 10.974 -4.716 -16.622 1.00 72.31 C ATOM 564 C TYR A 944 12.415 -4.412 -16.225 1.00 10.34 C ATOM 565 O TYR A 944 12.675 -3.501 -15.440 1.00 14.41 O ATOM 566 CB TYR A 944 10.012 -3.877 -15.779 1.00 22.42 C ATOM 567 CG TYR A 944 8.691 -3.603 -16.460 1.00 74.32 C ATOM 568 CD1 TYR A 944 7.956 -4.633 -17.036 1.00 3.23 C ATOM 569 CD2 TYR A 944 8.176 -2.314 -16.528 1.00 33.44 C ATOM 570 CE1 TYR A 944 6.749 -4.387 -17.660 1.00 12.32 C ATOM 571 CE2 TYR A 944 6.968 -2.059 -17.148 1.00 62.24 C ATOM 572 CZ TYR A 944 6.259 -3.098 -17.713 1.00 71.45 C ATOM 573 OH TYR A 944 5.056 -2.849 -18.333 1.00 73.41 O ATOM 0 H TYR A 944 10.385 -6.604 -17.321 1.00 41.53 H new ATOM 0 HA TYR A 944 10.844 -4.458 -17.673 1.00 72.31 H new ATOM 0 HB2 TYR A 944 9.825 -4.391 -14.836 1.00 22.42 H new ATOM 0 HB3 TYR A 944 10.489 -2.928 -15.535 1.00 22.42 H new ATOM 0 HD1 TYR A 944 8.336 -5.643 -16.995 1.00 3.23 H new ATOM 0 HD2 TYR A 944 8.730 -1.497 -16.089 1.00 33.44 H new ATOM 0 HE1 TYR A 944 6.192 -5.199 -18.104 1.00 12.32 H new ATOM 0 HE2 TYR A 944 6.581 -1.052 -17.190 1.00 62.24 H new ATOM 0 HH TYR A 944 4.854 -1.891 -18.282 1.00 73.41 H new ATOM 583 N ASN A 945 13.349 -5.182 -16.774 1.00 13.04 N ATOM 584 CA ASN A 945 14.764 -4.996 -16.477 1.00 45.34 C ATOM 585 C ASN A 945 15.556 -4.721 -17.753 1.00 34.33 C ATOM 586 O ASN A 945 16.134 -5.633 -18.344 1.00 61.24 O ATOM 587 CB ASN A 945 15.326 -6.231 -15.771 1.00 61.54 C ATOM 588 CG ASN A 945 16.297 -5.873 -14.663 1.00 13.12 C ATOM 589 OD1 ASN A 945 16.129 -6.291 -13.517 1.00 4.31 O ATOM 590 ND2 ASN A 945 17.318 -5.094 -15.000 1.00 24.51 N ATOM 0 H ASN A 945 13.151 -5.940 -17.427 1.00 13.04 H new ATOM 0 HA ASN A 945 14.861 -4.134 -15.817 1.00 45.34 H new ATOM 0 HB2 ASN A 945 14.504 -6.814 -15.355 1.00 61.54 H new ATOM 0 HB3 ASN A 945 15.830 -6.865 -16.501 1.00 61.54 H new ATOM 0 HD21 ASN A 945 18.003 -4.818 -14.296 1.00 24.51 H new ATOM 0 HD22 ASN A 945 17.417 -4.771 -15.962 1.00 24.51 H new ATOM 597 N ILE A 946 15.576 -3.460 -18.170 1.00 4.25 N ATOM 598 CA ILE A 946 16.298 -3.065 -19.373 1.00 72.42 C ATOM 599 C ILE A 946 17.735 -3.573 -19.344 1.00 23.32 C ATOM 600 O ILE A 946 18.273 -4.007 -20.364 1.00 21.15 O ATOM 601 CB ILE A 946 16.309 -1.535 -19.547 1.00 23.15 C ATOM 602 CG1 ILE A 946 17.116 -1.147 -20.787 1.00 53.44 C ATOM 603 CG2 ILE A 946 16.881 -0.866 -18.306 1.00 0.23 C ATOM 604 CD1 ILE A 946 16.550 -1.704 -22.075 1.00 13.02 C ATOM 0 H ILE A 946 15.101 -2.694 -17.693 1.00 4.25 H new ATOM 0 HA ILE A 946 15.774 -3.514 -20.217 1.00 72.42 H new ATOM 0 HB ILE A 946 15.283 -1.192 -19.682 1.00 23.15 H new ATOM 0 HG12 ILE A 946 17.158 -0.060 -20.858 1.00 53.44 H new ATOM 0 HG13 ILE A 946 18.141 -1.498 -20.668 1.00 53.44 H new ATOM 0 HG21 ILE A 946 16.883 0.215 -18.444 1.00 0.23 H new ATOM 0 HG22 ILE A 946 16.269 -1.121 -17.441 1.00 0.23 H new ATOM 0 HG23 ILE A 946 17.902 -1.212 -18.144 1.00 0.23 H new ATOM 0 HD11 ILE A 946 17.173 -1.389 -22.912 1.00 13.02 H new ATOM 0 HD12 ILE A 946 16.534 -2.793 -22.024 1.00 13.02 H new ATOM 0 HD13 ILE A 946 15.535 -1.332 -22.217 1.00 13.02 H new ATOM 616 N LEU A 947 18.352 -3.518 -18.169 1.00 24.23 N ATOM 617 CA LEU A 947 19.728 -3.975 -18.005 1.00 3.41 C ATOM 618 C LEU A 947 19.892 -5.404 -18.511 1.00 73.05 C ATOM 619 O LEU A 947 20.777 -5.689 -19.317 1.00 50.15 O ATOM 620 CB LEU A 947 20.142 -3.892 -16.535 1.00 2.04 C ATOM 621 CG LEU A 947 19.822 -2.579 -15.820 1.00 14.21 C ATOM 622 CD1 LEU A 947 20.362 -2.599 -14.399 1.00 4.24 C ATOM 623 CD2 LEU A 947 20.391 -1.398 -16.593 1.00 23.13 C ATOM 0 H LEU A 947 17.922 -3.162 -17.316 1.00 24.23 H new ATOM 0 HA LEU A 947 20.373 -3.324 -18.595 1.00 3.41 H new ATOM 0 HB2 LEU A 947 19.655 -4.704 -15.995 1.00 2.04 H new ATOM 0 HB3 LEU A 947 21.216 -4.065 -16.471 1.00 2.04 H new ATOM 0 HG LEU A 947 18.739 -2.468 -15.773 1.00 14.21 H new ATOM 0 HD11 LEU A 947 20.125 -1.656 -13.906 1.00 4.24 H new ATOM 0 HD12 LEU A 947 19.906 -3.421 -13.848 1.00 4.24 H new ATOM 0 HD13 LEU A 947 21.443 -2.734 -14.423 1.00 4.24 H new ATOM 0 HD21 LEU A 947 20.154 -0.472 -16.069 1.00 23.13 H new ATOM 0 HD22 LEU A 947 21.473 -1.503 -16.673 1.00 23.13 H new ATOM 0 HD23 LEU A 947 19.954 -1.372 -17.591 1.00 23.13 H new ATOM 635 N GLN A 948 19.031 -6.297 -18.035 1.00 30.44 N ATOM 636 CA GLN A 948 19.080 -7.697 -18.441 1.00 13.01 C ATOM 637 C GLN A 948 18.561 -7.869 -19.865 1.00 4.21 C ATOM 638 O GLN A 948 19.011 -8.749 -20.598 1.00 64.24 O ATOM 639 CB GLN A 948 18.259 -8.558 -17.479 1.00 53.04 C ATOM 640 CG GLN A 948 18.686 -8.424 -16.027 1.00 10.24 C ATOM 641 CD GLN A 948 18.321 -9.638 -15.196 1.00 73.54 C ATOM 642 OE1 GLN A 948 19.189 -10.297 -14.624 1.00 21.34 O ATOM 643 NE2 GLN A 948 17.030 -9.942 -15.127 1.00 13.34 N ATOM 0 H GLN A 948 18.291 -6.077 -17.368 1.00 30.44 H new ATOM 0 HA GLN A 948 20.120 -8.022 -18.411 1.00 13.01 H new ATOM 0 HB2 GLN A 948 17.208 -8.284 -17.567 1.00 53.04 H new ATOM 0 HB3 GLN A 948 18.342 -9.603 -17.779 1.00 53.04 H new ATOM 0 HG2 GLN A 948 19.764 -8.269 -15.982 1.00 10.24 H new ATOM 0 HG3 GLN A 948 18.218 -7.539 -15.595 1.00 10.24 H new ATOM 0 HE21 GLN A 948 16.344 -9.368 -15.617 1.00 13.34 H new ATOM 0 HE22 GLN A 948 16.725 -10.749 -14.584 1.00 13.34 H new ATOM 652 N VAL A 949 17.612 -7.022 -20.250 1.00 51.01 N ATOM 653 CA VAL A 949 17.033 -7.080 -21.587 1.00 14.52 C ATOM 654 C VAL A 949 18.100 -6.885 -22.657 1.00 64.35 C ATOM 655 O VAL A 949 18.312 -7.754 -23.504 1.00 30.25 O ATOM 656 CB VAL A 949 15.937 -6.012 -21.770 1.00 62.32 C ATOM 657 CG1 VAL A 949 15.458 -5.981 -23.213 1.00 71.45 C ATOM 658 CG2 VAL A 949 14.778 -6.271 -20.820 1.00 54.12 C ATOM 0 H VAL A 949 17.228 -6.288 -19.655 1.00 51.01 H new ATOM 0 HA VAL A 949 16.589 -8.069 -21.697 1.00 14.52 H new ATOM 0 HB VAL A 949 16.361 -5.036 -21.532 1.00 62.32 H new ATOM 0 HG11 VAL A 949 14.684 -5.221 -23.323 1.00 71.45 H new ATOM 0 HG12 VAL A 949 16.295 -5.744 -23.869 1.00 71.45 H new ATOM 0 HG13 VAL A 949 15.050 -6.955 -23.482 1.00 71.45 H new ATOM 0 HG21 VAL A 949 14.013 -5.508 -20.963 1.00 54.12 H new ATOM 0 HG22 VAL A 949 14.353 -7.254 -21.024 1.00 54.12 H new ATOM 0 HG23 VAL A 949 15.136 -6.238 -19.791 1.00 54.12 H new ATOM 668 N VAL A 950 18.772 -5.739 -22.615 1.00 10.04 N ATOM 669 CA VAL A 950 19.820 -5.430 -23.580 1.00 60.30 C ATOM 670 C VAL A 950 20.902 -6.505 -23.579 1.00 52.41 C ATOM 671 O VAL A 950 21.432 -6.869 -24.629 1.00 61.21 O ATOM 672 CB VAL A 950 20.468 -4.064 -23.287 1.00 63.22 C ATOM 673 CG1 VAL A 950 21.618 -3.801 -24.248 1.00 73.52 C ATOM 674 CG2 VAL A 950 19.431 -2.954 -23.368 1.00 31.53 C ATOM 0 H VAL A 950 18.609 -5.009 -21.922 1.00 10.04 H new ATOM 0 HA VAL A 950 19.347 -5.396 -24.561 1.00 60.30 H new ATOM 0 HB VAL A 950 20.869 -4.082 -22.274 1.00 63.22 H new ATOM 0 HG11 VAL A 950 22.063 -2.831 -24.026 1.00 73.52 H new ATOM 0 HG12 VAL A 950 22.371 -4.581 -24.136 1.00 73.52 H new ATOM 0 HG13 VAL A 950 21.244 -3.802 -25.272 1.00 73.52 H new ATOM 0 HG21 VAL A 950 19.906 -1.996 -23.158 1.00 31.53 H new ATOM 0 HG22 VAL A 950 18.998 -2.933 -24.368 1.00 31.53 H new ATOM 0 HG23 VAL A 950 18.644 -3.137 -22.636 1.00 31.53 H new ATOM 684 N THR A 951 21.226 -7.010 -22.393 1.00 14.34 N ATOM 685 CA THR A 951 22.245 -8.042 -22.254 1.00 33.21 C ATOM 686 C THR A 951 21.866 -9.296 -23.033 1.00 64.52 C ATOM 687 O THR A 951 22.714 -9.922 -23.669 1.00 22.24 O ATOM 688 CB THR A 951 22.467 -8.417 -20.777 1.00 22.15 C ATOM 689 OG1 THR A 951 22.915 -7.272 -20.043 1.00 15.25 O ATOM 690 CG2 THR A 951 23.489 -9.537 -20.650 1.00 74.34 C ATOM 0 H THR A 951 20.797 -6.720 -21.514 1.00 14.34 H new ATOM 0 HA THR A 951 23.169 -7.630 -22.659 1.00 33.21 H new ATOM 0 HB THR A 951 21.518 -8.764 -20.367 1.00 22.15 H new ATOM 0 HG1 THR A 951 22.140 -6.771 -19.713 1.00 15.25 H new ATOM 0 HG21 THR A 951 23.629 -9.784 -19.598 1.00 74.34 H new ATOM 0 HG22 THR A 951 23.133 -10.417 -21.185 1.00 74.34 H new ATOM 0 HG23 THR A 951 24.439 -9.213 -21.076 1.00 74.34 H new ATOM 698 N GLU A 952 20.588 -9.658 -22.980 1.00 40.41 N ATOM 699 CA GLU A 952 20.099 -10.838 -23.682 1.00 73.30 C ATOM 700 C GLU A 952 20.201 -10.654 -25.193 1.00 70.24 C ATOM 701 O GLU A 952 20.688 -11.533 -25.906 1.00 20.01 O ATOM 702 CB GLU A 952 18.648 -11.128 -23.289 1.00 44.25 C ATOM 703 CG GLU A 952 18.227 -12.567 -23.536 1.00 11.33 C ATOM 704 CD GLU A 952 18.563 -13.480 -22.373 1.00 35.13 C ATOM 705 OE1 GLU A 952 19.681 -13.363 -21.829 1.00 74.12 O ATOM 706 OE2 GLU A 952 17.706 -14.312 -22.006 1.00 61.02 O ATOM 0 H GLU A 952 19.873 -9.151 -22.458 1.00 40.41 H new ATOM 0 HA GLU A 952 20.722 -11.685 -23.394 1.00 73.30 H new ATOM 0 HB2 GLU A 952 18.513 -10.895 -22.233 1.00 44.25 H new ATOM 0 HB3 GLU A 952 17.989 -10.464 -23.849 1.00 44.25 H new ATOM 0 HG2 GLU A 952 17.153 -12.601 -23.722 1.00 11.33 H new ATOM 0 HG3 GLU A 952 18.718 -12.936 -24.437 1.00 11.33 H new ATOM 713 N LEU A 953 19.738 -9.506 -25.676 1.00 61.41 N ATOM 714 CA LEU A 953 19.776 -9.206 -27.103 1.00 43.51 C ATOM 715 C LEU A 953 21.205 -9.263 -27.634 1.00 22.24 C ATOM 716 O LEU A 953 21.464 -9.841 -28.690 1.00 73.03 O ATOM 717 CB LEU A 953 19.177 -7.824 -27.369 1.00 53.32 C ATOM 718 CG LEU A 953 17.761 -7.593 -26.838 1.00 44.44 C ATOM 719 CD1 LEU A 953 17.194 -6.290 -27.380 1.00 42.25 C ATOM 720 CD2 LEU A 953 16.858 -8.762 -27.202 1.00 11.11 C ATOM 0 H LEU A 953 19.332 -8.768 -25.101 1.00 61.41 H new ATOM 0 HA LEU A 953 19.184 -9.959 -27.623 1.00 43.51 H new ATOM 0 HB2 LEU A 953 19.835 -7.074 -26.930 1.00 53.32 H new ATOM 0 HB3 LEU A 953 19.172 -7.653 -28.445 1.00 53.32 H new ATOM 0 HG LEU A 953 17.808 -7.521 -25.751 1.00 44.44 H new ATOM 0 HD11 LEU A 953 16.186 -6.142 -26.992 1.00 42.25 H new ATOM 0 HD12 LEU A 953 17.828 -5.460 -27.069 1.00 42.25 H new ATOM 0 HD13 LEU A 953 17.161 -6.333 -28.469 1.00 42.25 H new ATOM 0 HD21 LEU A 953 15.855 -8.581 -26.816 1.00 11.11 H new ATOM 0 HD22 LEU A 953 16.817 -8.866 -28.286 1.00 11.11 H new ATOM 0 HD23 LEU A 953 17.255 -9.678 -26.765 1.00 11.11 H new ATOM 732 N LEU A 954 22.130 -8.663 -26.893 1.00 43.21 N ATOM 733 CA LEU A 954 23.535 -8.647 -27.287 1.00 73.55 C ATOM 734 C LEU A 954 24.096 -10.064 -27.359 1.00 73.11 C ATOM 735 O LEU A 954 24.547 -10.510 -28.414 1.00 1.15 O ATOM 736 CB LEU A 954 24.353 -7.812 -26.301 1.00 73.02 C ATOM 737 CG LEU A 954 24.219 -6.295 -26.434 1.00 53.34 C ATOM 738 CD1 LEU A 954 24.926 -5.593 -25.285 1.00 60.41 C ATOM 739 CD2 LEU A 954 24.775 -5.825 -27.771 1.00 34.40 C ATOM 0 H LEU A 954 21.933 -8.181 -26.016 1.00 43.21 H new ATOM 0 HA LEU A 954 23.604 -8.197 -28.278 1.00 73.55 H new ATOM 0 HB2 LEU A 954 24.064 -8.095 -25.289 1.00 73.02 H new ATOM 0 HB3 LEU A 954 25.404 -8.075 -26.417 1.00 73.02 H new ATOM 0 HG LEU A 954 23.160 -6.039 -26.393 1.00 53.34 H new ATOM 0 HD11 LEU A 954 24.820 -4.514 -25.397 1.00 60.41 H new ATOM 0 HD12 LEU A 954 24.482 -5.905 -24.340 1.00 60.41 H new ATOM 0 HD13 LEU A 954 25.984 -5.856 -25.294 1.00 60.41 H new ATOM 0 HD21 LEU A 954 24.671 -4.743 -27.848 1.00 34.40 H new ATOM 0 HD22 LEU A 954 25.829 -6.094 -27.842 1.00 34.40 H new ATOM 0 HD23 LEU A 954 24.224 -6.301 -28.582 1.00 34.40 H new