USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 29 THR OG1 : rot -53:sc= 2.05 USER MOD Set 1.2: A 32 TYR OH : rot -127:sc= 1.26 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -171:sc= -0.171 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 24 SER OG : rot 180:sc= -0.419 USER MOD Single : A 26 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 30 GLN : amide:sc= -4.73 K(o=-4.7,f=-5.9) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -140:sc= 0.148 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.386 K(o=0.39,f=-4.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.732 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0624 USER MOD Single : A 71 ASN : amide:sc= -4.03! C(o=-4!,f=-3.6!) USER MOD Single : A 72 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 77 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.25) USER MOD Single : A 81 SER OG : rot 73:sc= 1.19 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00292 USER MOD Single : A 89 SER OG : rot -45:sc= 0.472 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N LEU A 7 15.002 -11.126 -7.172 1.00 72.04 N ATOM 108 CA LEU A 7 16.193 -11.302 -6.348 1.00 74.13 C ATOM 109 C LEU A 7 17.405 -11.644 -7.209 1.00 13.41 C ATOM 110 O LEU A 7 17.395 -12.624 -7.952 1.00 21.34 O ATOM 111 CB LEU A 7 15.962 -12.404 -5.312 1.00 53.44 C ATOM 112 CG LEU A 7 14.983 -12.071 -4.185 1.00 44.24 C ATOM 113 CD1 LEU A 7 15.338 -10.736 -3.548 1.00 34.43 C ATOM 114 CD2 LEU A 7 13.554 -12.052 -4.708 1.00 43.40 C ATOM 0 HA LEU A 7 16.390 -10.362 -5.832 1.00 74.13 H new ATOM 0 HB2 LEU A 7 15.600 -13.292 -5.830 1.00 53.44 H new ATOM 0 HB3 LEU A 7 16.922 -12.664 -4.867 1.00 53.44 H new ATOM 0 HG LEU A 7 15.059 -12.846 -3.422 1.00 44.24 H new ATOM 0 HD11 LEU A 7 14.631 -10.515 -2.748 1.00 34.43 H new ATOM 0 HD12 LEU A 7 16.347 -10.785 -3.137 1.00 34.43 H new ATOM 0 HD13 LEU A 7 15.291 -9.950 -4.301 1.00 34.43 H new ATOM 0 HD21 LEU A 7 12.871 -11.813 -3.893 1.00 43.40 H new ATOM 0 HD22 LEU A 7 13.463 -11.298 -5.490 1.00 43.40 H new ATOM 0 HD23 LEU A 7 13.303 -13.031 -5.117 1.00 43.40 H new ATOM 126 N GLY A 8 18.449 -10.828 -7.102 1.00 2.33 N ATOM 127 CA GLY A 8 19.655 -11.061 -7.874 1.00 64.41 C ATOM 128 C GLY A 8 20.854 -11.370 -6.999 1.00 11.43 C ATOM 129 O GLY A 8 21.951 -10.863 -7.234 1.00 52.43 O ATOM 0 H GLY A 8 18.481 -10.010 -6.494 1.00 2.33 H new ATOM 0 HA2 GLY A 8 19.488 -11.890 -8.562 1.00 64.41 H new ATOM 0 HA3 GLY A 8 19.869 -10.182 -8.481 1.00 64.41 H new ATOM 133 N PHE A 9 20.645 -12.202 -5.984 1.00 40.00 N ATOM 134 CA PHE A 9 21.717 -12.575 -5.068 1.00 73.02 C ATOM 135 C PHE A 9 21.656 -14.064 -4.738 1.00 5.50 C ATOM 136 O PHE A 9 20.702 -14.752 -5.099 1.00 61.23 O ATOM 137 CB PHE A 9 21.627 -11.752 -3.782 1.00 14.33 C ATOM 138 CG PHE A 9 20.513 -12.183 -2.871 1.00 22.14 C ATOM 139 CD1 PHE A 9 19.193 -12.108 -3.284 1.00 40.43 C ATOM 140 CD2 PHE A 9 20.787 -12.664 -1.600 1.00 52.21 C ATOM 141 CE1 PHE A 9 18.166 -12.504 -2.449 1.00 30.25 C ATOM 142 CE2 PHE A 9 19.764 -13.062 -0.760 1.00 61.22 C ATOM 143 CZ PHE A 9 18.452 -12.981 -1.184 1.00 60.24 C ATOM 0 H PHE A 9 19.743 -12.631 -5.775 1.00 40.00 H new ATOM 0 HA PHE A 9 22.669 -12.368 -5.558 1.00 73.02 H new ATOM 0 HB2 PHE A 9 22.573 -11.826 -3.246 1.00 14.33 H new ATOM 0 HB3 PHE A 9 21.488 -10.702 -4.041 1.00 14.33 H new ATOM 0 HD1 PHE A 9 18.964 -11.735 -4.271 1.00 40.43 H new ATOM 0 HD2 PHE A 9 21.811 -12.728 -1.263 1.00 52.21 H new ATOM 0 HE1 PHE A 9 17.141 -12.441 -2.784 1.00 30.25 H new ATOM 0 HE2 PHE A 9 19.990 -13.436 0.227 1.00 61.22 H new ATOM 0 HZ PHE A 9 17.651 -13.290 -0.528 1.00 60.24 H new ATOM 153 N ARG A 10 22.683 -14.553 -4.050 1.00 12.22 N ATOM 154 CA ARG A 10 22.748 -15.959 -3.672 1.00 62.51 C ATOM 155 C ARG A 10 22.664 -16.120 -2.157 1.00 61.11 C ATOM 156 O ARG A 10 22.863 -15.163 -1.409 1.00 12.03 O ATOM 157 CB ARG A 10 24.042 -16.589 -4.191 1.00 61.24 C ATOM 158 CG ARG A 10 24.089 -16.724 -5.705 1.00 22.34 C ATOM 159 CD ARG A 10 25.426 -17.278 -6.173 1.00 52.31 C ATOM 160 NE ARG A 10 25.714 -16.913 -7.558 1.00 21.33 N ATOM 161 CZ ARG A 10 25.174 -17.525 -8.606 1.00 41.42 C ATOM 162 NH1 ARG A 10 24.322 -18.525 -8.428 1.00 51.43 N ATOM 163 NH2 ARG A 10 25.486 -17.135 -9.836 1.00 20.42 N ATOM 0 H ARG A 10 23.481 -13.996 -3.743 1.00 12.22 H new ATOM 0 HA ARG A 10 21.897 -16.470 -4.122 1.00 62.51 H new ATOM 0 HB2 ARG A 10 24.888 -15.985 -3.862 1.00 61.24 H new ATOM 0 HB3 ARG A 10 24.161 -17.575 -3.743 1.00 61.24 H new ATOM 0 HG2 ARG A 10 23.285 -17.380 -6.038 1.00 22.34 H new ATOM 0 HG3 ARG A 10 23.916 -15.750 -6.164 1.00 22.34 H new ATOM 0 HD2 ARG A 10 26.220 -16.904 -5.527 1.00 52.31 H new ATOM 0 HD3 ARG A 10 25.422 -18.364 -6.077 1.00 52.31 H new ATOM 0 HE ARG A 10 26.365 -16.147 -7.730 1.00 21.33 H new ATOM 0 HH11 ARG A 10 24.079 -18.826 -7.484 1.00 51.43 H new ATOM 0 HH12 ARG A 10 23.909 -18.993 -9.235 1.00 51.43 H new ATOM 0 HH21 ARG A 10 26.140 -16.365 -9.976 1.00 20.42 H new ATOM 0 HH22 ARG A 10 25.071 -17.605 -10.641 1.00 20.42 H new ATOM 177 N VAL A 11 22.368 -17.337 -1.712 1.00 15.13 N ATOM 178 CA VAL A 11 22.257 -17.624 -0.286 1.00 45.53 C ATOM 179 C VAL A 11 22.735 -19.037 0.029 1.00 50.35 C ATOM 180 O VAL A 11 22.388 -19.990 -0.669 1.00 3.34 O ATOM 181 CB VAL A 11 20.808 -17.461 0.209 1.00 71.15 C ATOM 182 CG1 VAL A 11 20.445 -15.988 0.323 1.00 75.50 C ATOM 183 CG2 VAL A 11 19.844 -18.186 -0.719 1.00 4.01 C ATOM 0 H VAL A 11 22.201 -18.140 -2.318 1.00 15.13 H new ATOM 0 HA VAL A 11 22.892 -16.905 0.232 1.00 45.53 H new ATOM 0 HB VAL A 11 20.728 -17.908 1.200 1.00 71.15 H new ATOM 0 HG11 VAL A 11 19.418 -15.893 0.674 1.00 75.50 H new ATOM 0 HG12 VAL A 11 21.117 -15.501 1.030 1.00 75.50 H new ATOM 0 HG13 VAL A 11 20.540 -15.513 -0.654 1.00 75.50 H new ATOM 0 HG21 VAL A 11 18.824 -18.061 -0.355 1.00 4.01 H new ATOM 0 HG22 VAL A 11 19.924 -17.770 -1.723 1.00 4.01 H new ATOM 0 HG23 VAL A 11 20.092 -19.247 -0.745 1.00 4.01 H new ATOM 193 N ALA A 12 23.533 -19.164 1.084 1.00 74.51 N ATOM 194 CA ALA A 12 24.056 -20.462 1.493 1.00 1.22 C ATOM 195 C ALA A 12 23.396 -20.938 2.783 1.00 72.24 C ATOM 196 O ALA A 12 23.458 -20.263 3.810 1.00 25.22 O ATOM 197 CB ALA A 12 25.566 -20.391 1.666 1.00 1.11 C ATOM 0 H ALA A 12 23.831 -18.385 1.671 1.00 74.51 H new ATOM 0 HA ALA A 12 23.824 -21.183 0.709 1.00 1.22 H new ATOM 0 HB1 ALA A 12 25.944 -21.367 1.972 1.00 1.11 H new ATOM 0 HB2 ALA A 12 26.027 -20.103 0.721 1.00 1.11 H new ATOM 0 HB3 ALA A 12 25.810 -19.652 2.429 1.00 1.11 H new ATOM 203 N VAL A 13 22.762 -22.105 2.721 1.00 21.14 N ATOM 204 CA VAL A 13 22.090 -22.672 3.885 1.00 63.14 C ATOM 205 C VAL A 13 23.015 -23.612 4.649 1.00 21.24 C ATOM 206 O VAL A 13 23.667 -24.474 4.061 1.00 55.02 O ATOM 207 CB VAL A 13 20.818 -23.439 3.479 1.00 34.21 C ATOM 208 CG1 VAL A 13 21.170 -24.638 2.611 1.00 1.25 C ATOM 209 CG2 VAL A 13 20.042 -23.874 4.713 1.00 0.25 C ATOM 0 H VAL A 13 22.700 -22.676 1.878 1.00 21.14 H new ATOM 0 HA VAL A 13 21.812 -21.837 4.529 1.00 63.14 H new ATOM 0 HB VAL A 13 20.184 -22.772 2.895 1.00 34.21 H new ATOM 0 HG11 VAL A 13 20.258 -25.167 2.334 1.00 1.25 H new ATOM 0 HG12 VAL A 13 21.680 -24.298 1.710 1.00 1.25 H new ATOM 0 HG13 VAL A 13 21.825 -25.309 3.166 1.00 1.25 H new ATOM 0 HG21 VAL A 13 19.146 -24.415 4.408 1.00 0.25 H new ATOM 0 HG22 VAL A 13 20.667 -24.524 5.325 1.00 0.25 H new ATOM 0 HG23 VAL A 13 19.756 -22.995 5.291 1.00 0.25 H new ATOM 219 N GLY A 14 23.067 -23.440 5.967 1.00 63.21 N ATOM 220 CA GLY A 14 23.915 -24.281 6.792 1.00 42.22 C ATOM 221 C GLY A 14 23.862 -23.897 8.257 1.00 5.12 C ATOM 222 O GLY A 14 22.812 -23.505 8.766 1.00 70.32 O ATOM 0 H GLY A 14 22.537 -22.734 6.478 1.00 63.21 H new ATOM 0 HA2 GLY A 14 23.608 -25.321 6.681 1.00 42.22 H new ATOM 0 HA3 GLY A 14 24.944 -24.212 6.438 1.00 42.22 H new ATOM 226 N ARG A 15 24.998 -24.011 8.938 1.00 0.43 N ATOM 227 CA ARG A 15 25.076 -23.675 10.355 1.00 61.11 C ATOM 228 C ARG A 15 26.288 -22.793 10.639 1.00 42.44 C ATOM 229 O ARG A 15 27.337 -22.940 10.011 1.00 73.24 O ATOM 230 CB ARG A 15 25.150 -24.949 11.199 1.00 5.31 C ATOM 231 CG ARG A 15 23.835 -25.707 11.274 1.00 25.33 C ATOM 232 CD ARG A 15 23.612 -26.559 10.035 1.00 63.43 C ATOM 233 NE ARG A 15 23.256 -27.935 10.373 1.00 51.31 N ATOM 234 CZ ARG A 15 22.737 -28.795 9.503 1.00 3.43 C ATOM 235 NH1 ARG A 15 22.516 -28.423 8.250 1.00 43.11 N ATOM 236 NH2 ARG A 15 22.439 -30.029 9.887 1.00 61.43 N ATOM 0 H ARG A 15 25.876 -24.333 8.532 1.00 0.43 H new ATOM 0 HA ARG A 15 24.176 -23.122 10.622 1.00 61.11 H new ATOM 0 HB2 ARG A 15 25.915 -25.606 10.784 1.00 5.31 H new ATOM 0 HB3 ARG A 15 25.467 -24.688 12.209 1.00 5.31 H new ATOM 0 HG2 ARG A 15 23.830 -26.342 12.160 1.00 25.33 H new ATOM 0 HG3 ARG A 15 23.012 -25.001 11.384 1.00 25.33 H new ATOM 0 HD2 ARG A 15 22.820 -26.118 9.430 1.00 63.43 H new ATOM 0 HD3 ARG A 15 24.516 -26.558 9.427 1.00 63.43 H new ATOM 0 HE ARG A 15 23.414 -28.253 11.329 1.00 51.31 H new ATOM 0 HH11 ARG A 15 22.744 -27.475 7.952 1.00 43.11 H new ATOM 0 HH12 ARG A 15 22.118 -29.085 7.584 1.00 43.11 H new ATOM 0 HH21 ARG A 15 22.608 -30.318 10.850 1.00 61.43 H new ATOM 0 HH22 ARG A 15 22.041 -30.689 9.219 1.00 61.43 H new ATOM 250 N ASP A 16 26.136 -21.875 11.587 1.00 23.45 N ATOM 251 CA ASP A 16 27.218 -20.969 11.955 1.00 21.10 C ATOM 252 C ASP A 16 27.952 -21.473 13.194 1.00 60.12 C ATOM 253 O ASP A 16 27.659 -22.554 13.704 1.00 31.32 O ATOM 254 CB ASP A 16 26.671 -19.563 12.208 1.00 72.52 C ATOM 255 CG ASP A 16 25.416 -19.575 13.059 1.00 63.11 C ATOM 256 OD1 ASP A 16 25.540 -19.686 14.297 1.00 53.21 O ATOM 257 OD2 ASP A 16 24.311 -19.473 12.487 1.00 1.51 O ATOM 0 H ASP A 16 25.274 -21.738 12.115 1.00 23.45 H new ATOM 0 HA ASP A 16 27.925 -20.932 11.126 1.00 21.10 H new ATOM 0 HB2 ASP A 16 27.435 -18.962 12.701 1.00 72.52 H new ATOM 0 HB3 ASP A 16 26.455 -19.083 11.254 1.00 72.52 H new ATOM 262 N SER A 17 28.908 -20.683 13.672 1.00 50.25 N ATOM 263 CA SER A 17 29.688 -21.051 14.848 1.00 75.04 C ATOM 264 C SER A 17 28.774 -21.350 16.033 1.00 45.12 C ATOM 265 O SER A 17 29.133 -22.113 16.930 1.00 41.31 O ATOM 266 CB SER A 17 30.663 -19.930 15.211 1.00 52.43 C ATOM 267 OG SER A 17 31.683 -20.401 16.075 1.00 54.43 O ATOM 0 H SER A 17 29.161 -19.784 13.263 1.00 50.25 H new ATOM 0 HA SER A 17 30.254 -21.952 14.611 1.00 75.04 H new ATOM 0 HB2 SER A 17 31.110 -19.524 14.303 1.00 52.43 H new ATOM 0 HB3 SER A 17 30.122 -19.115 15.692 1.00 52.43 H new ATOM 0 HG SER A 17 32.294 -19.666 16.291 1.00 54.43 H new ATOM 273 N SER A 18 27.592 -20.743 16.029 1.00 40.24 N ATOM 274 CA SER A 18 26.628 -20.940 17.105 1.00 52.14 C ATOM 275 C SER A 18 25.702 -22.113 16.796 1.00 11.33 C ATOM 276 O SER A 18 25.478 -22.980 17.640 1.00 63.04 O ATOM 277 CB SER A 18 25.805 -19.668 17.320 1.00 74.45 C ATOM 278 OG SER A 18 24.430 -19.972 17.484 1.00 23.43 O ATOM 0 H SER A 18 27.279 -20.111 15.293 1.00 40.24 H new ATOM 0 HA SER A 18 27.180 -21.166 18.018 1.00 52.14 H new ATOM 0 HB2 SER A 18 26.171 -19.139 18.200 1.00 74.45 H new ATOM 0 HB3 SER A 18 25.934 -18.999 16.469 1.00 74.45 H new ATOM 0 HG SER A 18 23.926 -19.143 17.621 1.00 23.43 H new ATOM 284 N GLY A 19 25.166 -22.131 15.580 1.00 74.43 N ATOM 285 CA GLY A 19 24.270 -23.201 15.180 1.00 30.12 C ATOM 286 C GLY A 19 22.814 -22.865 15.437 1.00 24.14 C ATOM 287 O GLY A 19 22.244 -23.280 16.447 1.00 53.30 O ATOM 0 H GLY A 19 25.336 -21.424 14.864 1.00 74.43 H new ATOM 0 HA2 GLY A 19 24.410 -23.410 14.119 1.00 30.12 H new ATOM 0 HA3 GLY A 19 24.531 -24.110 15.721 1.00 30.12 H new ATOM 291 N CYS A 20 22.213 -22.111 14.524 1.00 31.11 N ATOM 292 CA CYS A 20 20.815 -21.717 14.658 1.00 31.02 C ATOM 293 C CYS A 20 20.086 -21.837 13.324 1.00 73.50 C ATOM 294 O CYS A 20 18.998 -21.288 13.146 1.00 42.31 O ATOM 295 CB CYS A 20 20.715 -20.283 15.180 1.00 45.11 C ATOM 296 SG CYS A 20 20.633 -20.157 16.982 1.00 52.12 S ATOM 0 H CYS A 20 22.671 -21.760 13.683 1.00 31.11 H new ATOM 0 HA CYS A 20 20.341 -22.390 15.373 1.00 31.02 H new ATOM 0 HB2 CYS A 20 21.577 -19.718 14.826 1.00 45.11 H new ATOM 0 HB3 CYS A 20 19.829 -19.813 14.753 1.00 45.11 H new ATOM 0 HG CYS A 20 20.362 -18.931 17.319 1.00 52.12 H new ATOM 302 N THR A 21 20.692 -22.559 12.387 1.00 65.42 N ATOM 303 CA THR A 21 20.103 -22.750 11.068 1.00 40.24 C ATOM 304 C THR A 21 19.702 -21.416 10.447 1.00 64.43 C ATOM 305 O THR A 21 18.548 -20.998 10.539 1.00 11.13 O ATOM 306 CB THR A 21 18.866 -23.665 11.132 1.00 61.51 C ATOM 307 OG1 THR A 21 19.043 -24.657 12.150 1.00 13.30 O ATOM 308 CG2 THR A 21 18.625 -24.345 9.792 1.00 4.41 C ATOM 0 H THR A 21 21.592 -23.022 12.518 1.00 65.42 H new ATOM 0 HA THR A 21 20.864 -23.223 10.448 1.00 40.24 H new ATOM 0 HB THR A 21 17.999 -23.050 11.371 1.00 61.51 H new ATOM 0 HG1 THR A 21 18.252 -25.234 12.186 1.00 13.30 H new ATOM 0 HG21 THR A 21 17.746 -24.986 9.862 1.00 4.41 H new ATOM 0 HG22 THR A 21 18.462 -23.589 9.024 1.00 4.41 H new ATOM 0 HG23 THR A 21 19.494 -24.948 9.529 1.00 4.41 H new ATOM 316 N THR A 22 20.663 -20.752 9.812 1.00 2.22 N ATOM 317 CA THR A 22 20.411 -19.465 9.176 1.00 34.10 C ATOM 318 C THR A 22 21.188 -19.335 7.871 1.00 1.23 C ATOM 319 O THR A 22 22.264 -19.914 7.717 1.00 4.24 O ATOM 320 CB THR A 22 20.788 -18.296 10.105 1.00 43.44 C ATOM 321 OG1 THR A 22 21.005 -17.108 9.334 1.00 70.42 O ATOM 322 CG2 THR A 22 22.040 -18.622 10.905 1.00 62.34 C ATOM 0 H THR A 22 21.623 -21.085 9.725 1.00 2.22 H new ATOM 0 HA THR A 22 19.343 -19.420 8.965 1.00 34.10 H new ATOM 0 HB THR A 22 19.964 -18.133 10.800 1.00 43.44 H new ATOM 0 HG1 THR A 22 21.243 -16.369 9.932 1.00 70.42 H new ATOM 0 HG21 THR A 22 22.286 -17.781 11.554 1.00 62.34 H new ATOM 0 HG22 THR A 22 21.863 -19.509 11.513 1.00 62.34 H new ATOM 0 HG23 THR A 22 22.869 -18.809 10.223 1.00 62.34 H new ATOM 330 N LEU A 23 20.638 -18.571 6.934 1.00 11.11 N ATOM 331 CA LEU A 23 21.281 -18.364 5.641 1.00 11.52 C ATOM 332 C LEU A 23 22.116 -17.087 5.647 1.00 54.14 C ATOM 333 O LEU A 23 21.910 -16.203 6.478 1.00 3.30 O ATOM 334 CB LEU A 23 20.230 -18.294 4.532 1.00 72.50 C ATOM 335 CG LEU A 23 19.827 -19.630 3.904 1.00 4.45 C ATOM 336 CD1 LEU A 23 19.117 -20.506 4.924 1.00 31.01 C ATOM 337 CD2 LEU A 23 18.944 -19.402 2.687 1.00 40.25 C ATOM 0 H LEU A 23 19.748 -18.085 7.045 1.00 11.11 H new ATOM 0 HA LEU A 23 21.943 -19.209 5.453 1.00 11.52 H new ATOM 0 HB2 LEU A 23 19.335 -17.821 4.936 1.00 72.50 H new ATOM 0 HB3 LEU A 23 20.606 -17.643 3.743 1.00 72.50 H new ATOM 0 HG LEU A 23 20.731 -20.145 3.580 1.00 4.45 H new ATOM 0 HD11 LEU A 23 18.838 -21.452 4.460 1.00 31.01 H new ATOM 0 HD12 LEU A 23 19.783 -20.697 5.765 1.00 31.01 H new ATOM 0 HD13 LEU A 23 18.221 -19.998 5.279 1.00 31.01 H new ATOM 0 HD21 LEU A 23 18.667 -20.363 2.253 1.00 40.25 H new ATOM 0 HD22 LEU A 23 18.043 -18.866 2.986 1.00 40.25 H new ATOM 0 HD23 LEU A 23 19.488 -18.814 1.948 1.00 40.25 H new ATOM 349 N SER A 24 23.056 -16.997 4.712 1.00 43.01 N ATOM 350 CA SER A 24 23.923 -15.829 4.610 1.00 63.02 C ATOM 351 C SER A 24 23.816 -15.192 3.227 1.00 25.34 C ATOM 352 O SER A 24 23.683 -15.888 2.220 1.00 23.23 O ATOM 353 CB SER A 24 25.375 -16.219 4.893 1.00 23.12 C ATOM 354 OG SER A 24 26.184 -15.071 5.081 1.00 44.10 O ATOM 0 H SER A 24 23.237 -17.719 4.014 1.00 43.01 H new ATOM 0 HA SER A 24 23.598 -15.100 5.353 1.00 63.02 H new ATOM 0 HB2 SER A 24 25.419 -16.848 5.782 1.00 23.12 H new ATOM 0 HB3 SER A 24 25.764 -16.810 4.064 1.00 23.12 H new ATOM 0 HG SER A 24 27.107 -15.347 5.262 1.00 44.10 H new ATOM 360 N ILE A 25 23.876 -13.865 3.188 1.00 33.51 N ATOM 361 CA ILE A 25 23.787 -13.134 1.930 1.00 32.42 C ATOM 362 C ILE A 25 25.171 -12.881 1.343 1.00 70.04 C ATOM 363 O ILE A 25 25.952 -12.099 1.884 1.00 14.22 O ATOM 364 CB ILE A 25 23.064 -11.787 2.112 1.00 2.44 C ATOM 365 CG1 ILE A 25 21.935 -11.923 3.136 1.00 4.53 C ATOM 366 CG2 ILE A 25 22.521 -11.292 0.780 1.00 63.32 C ATOM 367 CD1 ILE A 25 21.151 -10.646 3.344 1.00 1.11 C ATOM 0 H ILE A 25 23.986 -13.275 4.013 1.00 33.51 H new ATOM 0 HA ILE A 25 23.212 -13.755 1.243 1.00 32.42 H new ATOM 0 HB ILE A 25 23.781 -11.055 2.484 1.00 2.44 H new ATOM 0 HG12 ILE A 25 21.254 -12.709 2.811 1.00 4.53 H new ATOM 0 HG13 ILE A 25 22.357 -12.240 4.090 1.00 4.53 H new ATOM 0 HG21 ILE A 25 22.013 -10.339 0.926 1.00 63.32 H new ATOM 0 HG22 ILE A 25 23.344 -11.161 0.078 1.00 63.32 H new ATOM 0 HG23 ILE A 25 21.816 -12.021 0.381 1.00 63.32 H new ATOM 0 HD11 ILE A 25 20.368 -10.816 4.082 1.00 1.11 H new ATOM 0 HD12 ILE A 25 21.820 -9.862 3.699 1.00 1.11 H new ATOM 0 HD13 ILE A 25 20.700 -10.338 2.401 1.00 1.11 H new ATOM 379 N GLN A 26 25.467 -13.547 0.231 1.00 52.31 N ATOM 380 CA GLN A 26 26.757 -13.392 -0.431 1.00 32.31 C ATOM 381 C GLN A 26 26.748 -12.187 -1.366 1.00 24.24 C ATOM 382 O GLN A 26 27.748 -11.890 -2.019 1.00 20.14 O ATOM 383 CB GLN A 26 27.106 -14.658 -1.215 1.00 62.41 C ATOM 384 CG GLN A 26 27.138 -15.915 -0.359 1.00 41.55 C ATOM 385 CD GLN A 26 26.773 -17.162 -1.140 1.00 44.22 C ATOM 386 OE1 GLN A 26 27.573 -17.673 -1.925 1.00 11.11 O ATOM 387 NE2 GLN A 26 25.561 -17.659 -0.929 1.00 34.43 N ATOM 0 H GLN A 26 24.832 -14.198 -0.230 1.00 52.31 H new ATOM 0 HA GLN A 26 27.514 -13.228 0.336 1.00 32.31 H new ATOM 0 HB2 GLN A 26 26.378 -14.792 -2.015 1.00 62.41 H new ATOM 0 HB3 GLN A 26 28.079 -14.526 -1.688 1.00 62.41 H new ATOM 0 HG2 GLN A 26 28.135 -16.036 0.066 1.00 41.55 H new ATOM 0 HG3 GLN A 26 26.447 -15.799 0.476 1.00 41.55 H new ATOM 0 HE21 GLN A 26 24.931 -17.203 -0.269 1.00 34.43 H new ATOM 0 HE22 GLN A 26 25.260 -18.497 -1.426 1.00 34.43 H new ATOM 396 N GLU A 27 25.613 -11.498 -1.424 1.00 43.31 N ATOM 397 CA GLU A 27 25.476 -10.325 -2.280 1.00 74.54 C ATOM 398 C GLU A 27 24.618 -9.258 -1.607 1.00 42.42 C ATOM 399 O GLU A 27 24.309 -9.352 -0.419 1.00 52.34 O ATOM 400 CB GLU A 27 24.859 -10.718 -3.625 1.00 13.14 C ATOM 401 CG GLU A 27 25.625 -10.187 -4.824 1.00 65.43 C ATOM 402 CD GLU A 27 25.865 -11.249 -5.880 1.00 32.42 C ATOM 403 OE1 GLU A 27 24.873 -11.786 -6.416 1.00 74.11 O ATOM 404 OE2 GLU A 27 27.043 -11.544 -6.169 1.00 61.13 O ATOM 0 H GLU A 27 24.776 -11.731 -0.889 1.00 43.31 H new ATOM 0 HA GLU A 27 26.470 -9.912 -2.451 1.00 74.54 H new ATOM 0 HB2 GLU A 27 24.809 -11.805 -3.689 1.00 13.14 H new ATOM 0 HB3 GLU A 27 23.834 -10.349 -3.667 1.00 13.14 H new ATOM 0 HG2 GLU A 27 25.071 -9.359 -5.266 1.00 65.43 H new ATOM 0 HG3 GLU A 27 26.583 -9.788 -4.491 1.00 65.43 H new ATOM 411 N VAL A 28 24.238 -8.241 -2.375 1.00 60.42 N ATOM 412 CA VAL A 28 23.416 -7.155 -1.855 1.00 22.43 C ATOM 413 C VAL A 28 22.107 -7.038 -2.627 1.00 44.45 C ATOM 414 O VAL A 28 22.079 -6.535 -3.751 1.00 44.14 O ATOM 415 CB VAL A 28 24.160 -5.808 -1.918 1.00 63.33 C ATOM 416 CG1 VAL A 28 25.204 -5.722 -0.815 1.00 63.25 C ATOM 417 CG2 VAL A 28 24.800 -5.617 -3.285 1.00 72.53 C ATOM 0 H VAL A 28 24.487 -8.147 -3.360 1.00 60.42 H new ATOM 0 HA VAL A 28 23.199 -7.393 -0.814 1.00 22.43 H new ATOM 0 HB VAL A 28 23.438 -5.006 -1.765 1.00 63.33 H new ATOM 0 HG11 VAL A 28 25.719 -4.763 -0.876 1.00 63.25 H new ATOM 0 HG12 VAL A 28 24.716 -5.811 0.156 1.00 63.25 H new ATOM 0 HG13 VAL A 28 25.926 -6.530 -0.933 1.00 63.25 H new ATOM 0 HG21 VAL A 28 25.321 -4.660 -3.312 1.00 72.53 H new ATOM 0 HG22 VAL A 28 25.510 -6.423 -3.470 1.00 72.53 H new ATOM 0 HG23 VAL A 28 24.027 -5.631 -4.054 1.00 72.53 H new ATOM 427 N THR A 29 21.022 -7.504 -2.018 1.00 21.44 N ATOM 428 CA THR A 29 19.709 -7.452 -2.648 1.00 21.31 C ATOM 429 C THR A 29 18.920 -6.236 -2.176 1.00 25.21 C ATOM 430 O THR A 29 17.744 -6.083 -2.504 1.00 23.10 O ATOM 431 CB THR A 29 18.893 -8.725 -2.353 1.00 24.12 C ATOM 432 OG1 THR A 29 17.597 -8.627 -2.953 1.00 42.52 O ATOM 433 CG2 THR A 29 18.748 -8.940 -0.854 1.00 5.53 C ATOM 0 H THR A 29 21.027 -7.922 -1.088 1.00 21.44 H new ATOM 0 HA THR A 29 19.877 -7.378 -3.722 1.00 21.31 H new ATOM 0 HB THR A 29 19.425 -9.577 -2.777 1.00 24.12 H new ATOM 0 HG1 THR A 29 17.171 -7.789 -2.676 1.00 42.52 H new ATOM 0 HG21 THR A 29 18.168 -9.845 -0.671 1.00 5.53 H new ATOM 0 HG22 THR A 29 19.735 -9.044 -0.404 1.00 5.53 H new ATOM 0 HG23 THR A 29 18.236 -8.085 -0.412 1.00 5.53 H new ATOM 441 N GLN A 30 19.576 -5.374 -1.405 1.00 71.23 N ATOM 442 CA GLN A 30 18.934 -4.171 -0.889 1.00 23.13 C ATOM 443 C GLN A 30 19.493 -2.923 -1.565 1.00 32.24 C ATOM 444 O GLN A 30 19.971 -2.004 -0.899 1.00 21.11 O ATOM 445 CB GLN A 30 19.127 -4.075 0.626 1.00 44.13 C ATOM 446 CG GLN A 30 20.522 -4.466 1.087 1.00 31.33 C ATOM 447 CD GLN A 30 20.679 -5.964 1.264 1.00 2.32 C ATOM 448 OE1 GLN A 30 21.608 -6.569 0.729 1.00 24.44 O ATOM 449 NE2 GLN A 30 19.769 -6.570 2.018 1.00 5.10 N ATOM 0 H GLN A 30 20.550 -5.486 -1.124 1.00 71.23 H new ATOM 0 HA GLN A 30 17.868 -4.235 -1.109 1.00 23.13 H new ATOM 0 HB2 GLN A 30 18.920 -3.054 0.946 1.00 44.13 H new ATOM 0 HB3 GLN A 30 18.397 -4.718 1.118 1.00 44.13 H new ATOM 0 HG2 GLN A 30 21.253 -4.111 0.361 1.00 31.33 H new ATOM 0 HG3 GLN A 30 20.742 -3.967 2.031 1.00 31.33 H new ATOM 0 HE21 GLN A 30 19.016 -6.029 2.442 1.00 5.10 H new ATOM 0 HE22 GLN A 30 19.823 -7.577 2.173 1.00 5.10 H new ATOM 458 N THR A 31 19.430 -2.897 -2.892 1.00 55.34 N ATOM 459 CA THR A 31 19.930 -1.763 -3.659 1.00 1.31 C ATOM 460 C THR A 31 18.966 -1.387 -4.779 1.00 21.54 C ATOM 461 O THR A 31 19.363 -0.787 -5.777 1.00 62.15 O ATOM 462 CB THR A 31 21.313 -2.062 -4.267 1.00 24.23 C ATOM 463 OG1 THR A 31 21.196 -3.068 -5.279 1.00 43.23 O ATOM 464 CG2 THR A 31 22.287 -2.527 -3.194 1.00 12.52 C ATOM 0 H THR A 31 19.037 -3.649 -3.458 1.00 55.34 H new ATOM 0 HA THR A 31 20.019 -0.928 -2.965 1.00 1.31 H new ATOM 0 HB THR A 31 21.697 -1.143 -4.711 1.00 24.23 H new ATOM 0 HG1 THR A 31 22.079 -3.251 -5.662 1.00 43.23 H new ATOM 0 HG21 THR A 31 23.257 -2.732 -3.647 1.00 12.52 H new ATOM 0 HG22 THR A 31 22.396 -1.748 -2.440 1.00 12.52 H new ATOM 0 HG23 THR A 31 21.906 -3.435 -2.726 1.00 12.52 H new ATOM 472 N TYR A 32 17.698 -1.744 -4.605 1.00 63.05 N ATOM 473 CA TYR A 32 16.677 -1.446 -5.603 1.00 5.20 C ATOM 474 C TYR A 32 15.282 -1.515 -4.991 1.00 55.43 C ATOM 475 O TYR A 32 15.030 -2.295 -4.072 1.00 44.30 O ATOM 476 CB TYR A 32 16.781 -2.422 -6.776 1.00 52.54 C ATOM 477 CG TYR A 32 16.729 -3.875 -6.362 1.00 51.30 C ATOM 478 CD1 TYR A 32 15.540 -4.455 -5.939 1.00 13.14 C ATOM 479 CD2 TYR A 32 17.869 -4.668 -6.395 1.00 4.20 C ATOM 480 CE1 TYR A 32 15.488 -5.782 -5.558 1.00 50.14 C ATOM 481 CE2 TYR A 32 17.827 -5.996 -6.018 1.00 33.20 C ATOM 482 CZ TYR A 32 16.634 -6.548 -5.600 1.00 31.50 C ATOM 483 OH TYR A 32 16.586 -7.871 -5.223 1.00 63.14 O ATOM 0 H TYR A 32 17.353 -2.240 -3.783 1.00 63.05 H new ATOM 0 HA TYR A 32 16.845 -0.432 -5.967 1.00 5.20 H new ATOM 0 HB2 TYR A 32 15.969 -2.223 -7.476 1.00 52.54 H new ATOM 0 HB3 TYR A 32 17.714 -2.238 -7.309 1.00 52.54 H new ATOM 0 HD1 TYR A 32 14.640 -3.858 -5.907 1.00 13.14 H new ATOM 0 HD2 TYR A 32 18.805 -4.239 -6.721 1.00 4.20 H new ATOM 0 HE1 TYR A 32 14.556 -6.217 -5.229 1.00 50.14 H new ATOM 0 HE2 TYR A 32 18.723 -6.599 -6.050 1.00 33.20 H new ATOM 0 HH TYR A 32 17.273 -8.043 -4.546 1.00 63.14 H new ATOM 493 N THR A 33 14.374 -0.692 -5.509 1.00 5.21 N ATOM 494 CA THR A 33 13.004 -0.657 -5.015 1.00 73.31 C ATOM 495 C THR A 33 12.007 -0.579 -6.166 1.00 13.35 C ATOM 496 O THR A 33 12.377 -0.711 -7.331 1.00 43.01 O ATOM 497 CB THR A 33 12.777 0.539 -4.071 1.00 74.33 C ATOM 498 OG1 THR A 33 11.560 0.359 -3.337 1.00 42.43 O ATOM 499 CG2 THR A 33 12.715 1.842 -4.854 1.00 61.40 C ATOM 0 H THR A 33 14.564 -0.041 -6.271 1.00 5.21 H new ATOM 0 HA THR A 33 12.844 -1.582 -4.461 1.00 73.31 H new ATOM 0 HB THR A 33 13.616 0.590 -3.377 1.00 74.33 H new ATOM 0 HG1 THR A 33 11.091 1.216 -3.267 1.00 42.43 H new ATOM 0 HG21 THR A 33 12.554 2.672 -4.166 1.00 61.40 H new ATOM 0 HG22 THR A 33 13.653 1.990 -5.389 1.00 61.40 H new ATOM 0 HG23 THR A 33 11.893 1.798 -5.569 1.00 61.40 H new ATOM 507 N GLY A 34 10.738 -0.362 -5.830 1.00 5.21 N ATOM 508 CA GLY A 34 9.708 -0.269 -6.847 1.00 55.30 C ATOM 509 C GLY A 34 8.311 -0.275 -6.259 1.00 15.12 C ATOM 510 O GLY A 34 7.400 -0.891 -6.812 1.00 34.35 O ATOM 0 H GLY A 34 10.406 -0.249 -4.872 1.00 5.21 H new ATOM 0 HA2 GLY A 34 9.852 0.645 -7.424 1.00 55.30 H new ATOM 0 HA3 GLY A 34 9.810 -1.103 -7.541 1.00 55.30 H new ATOM 514 N SER A 35 8.141 0.412 -5.133 1.00 71.34 N ATOM 515 CA SER A 35 6.846 0.478 -4.466 1.00 51.54 C ATOM 516 C SER A 35 6.435 1.927 -4.221 1.00 5.24 C ATOM 517 O SER A 35 6.760 2.508 -3.186 1.00 52.51 O ATOM 518 CB SER A 35 6.892 -0.283 -3.140 1.00 52.41 C ATOM 519 OG SER A 35 5.970 -1.359 -3.138 1.00 0.14 O ATOM 0 H SER A 35 8.884 0.930 -4.664 1.00 71.34 H new ATOM 0 HA SER A 35 6.105 0.014 -5.117 1.00 51.54 H new ATOM 0 HB2 SER A 35 7.899 -0.663 -2.970 1.00 52.41 H new ATOM 0 HB3 SER A 35 6.664 0.397 -2.319 1.00 52.41 H new ATOM 0 HG SER A 35 6.020 -1.831 -2.280 1.00 0.14 H new ATOM 525 N ASN A 36 5.720 2.504 -5.181 1.00 35.25 N ATOM 526 CA ASN A 36 5.264 3.885 -5.070 1.00 25.03 C ATOM 527 C ASN A 36 6.442 4.830 -4.849 1.00 60.33 C ATOM 528 O ASN A 36 6.282 5.921 -4.304 1.00 64.02 O ATOM 529 CB ASN A 36 4.263 4.023 -3.921 1.00 43.41 C ATOM 530 CG ASN A 36 2.993 4.736 -4.344 1.00 20.30 C ATOM 531 OD1 ASN A 36 2.152 4.167 -5.040 1.00 52.33 O ATOM 532 ND2 ASN A 36 2.849 5.987 -3.924 1.00 11.21 N ATOM 0 H ASN A 36 5.444 2.037 -6.045 1.00 35.25 H new ATOM 0 HA ASN A 36 4.773 4.156 -6.005 1.00 25.03 H new ATOM 0 HB2 ASN A 36 4.011 3.033 -3.541 1.00 43.41 H new ATOM 0 HB3 ASN A 36 4.728 4.570 -3.101 1.00 43.41 H new ATOM 0 HD21 ASN A 36 2.015 6.517 -4.177 1.00 11.21 H new ATOM 0 HD22 ASN A 36 3.572 6.418 -3.349 1.00 11.21 H new ATOM 539 N GLY A 37 7.626 4.402 -5.278 1.00 73.41 N ATOM 540 CA GLY A 37 8.813 5.221 -5.119 1.00 71.03 C ATOM 541 C GLY A 37 9.788 5.058 -6.268 1.00 70.42 C ATOM 542 O GLY A 37 9.958 5.965 -7.081 1.00 3.40 O ATOM 0 H GLY A 37 7.784 3.503 -5.733 1.00 73.41 H new ATOM 0 HA2 GLY A 37 8.520 6.268 -5.041 1.00 71.03 H new ATOM 0 HA3 GLY A 37 9.310 4.958 -4.185 1.00 71.03 H new ATOM 546 N GLY A 38 10.432 3.896 -6.335 1.00 41.35 N ATOM 547 CA GLY A 38 11.389 3.639 -7.396 1.00 10.12 C ATOM 548 C GLY A 38 12.618 4.521 -7.294 1.00 71.42 C ATOM 549 O GLY A 38 12.514 5.710 -6.995 1.00 30.45 O ATOM 0 H GLY A 38 10.308 3.129 -5.674 1.00 41.35 H new ATOM 0 HA2 GLY A 38 11.693 2.593 -7.362 1.00 10.12 H new ATOM 0 HA3 GLY A 38 10.909 3.800 -8.361 1.00 10.12 H new ATOM 611 N GLY A 43 20.514 2.165 -1.675 1.00 61.04 N ATOM 612 CA GLY A 43 20.082 3.031 -0.594 1.00 31.31 C ATOM 613 C GLY A 43 20.090 2.329 0.749 1.00 25.35 C ATOM 614 O GLY A 43 20.908 2.622 1.622 1.00 14.43 O ATOM 0 HA2 GLY A 43 20.734 3.903 -0.549 1.00 31.31 H new ATOM 0 HA3 GLY A 43 19.076 3.395 -0.804 1.00 31.31 H new ATOM 618 N PRO A 44 19.162 1.378 0.931 1.00 60.35 N ATOM 619 CA PRO A 44 19.044 0.613 2.176 1.00 44.13 C ATOM 620 C PRO A 44 20.210 -0.349 2.377 1.00 1.05 C ATOM 621 O PRO A 44 20.349 -0.957 3.438 1.00 34.32 O ATOM 622 CB PRO A 44 17.737 -0.162 1.994 1.00 51.22 C ATOM 623 CG PRO A 44 17.568 -0.279 0.518 1.00 0.03 C ATOM 624 CD PRO A 44 18.156 0.975 -0.067 1.00 11.34 C ATOM 0 HA PRO A 44 19.053 1.259 3.054 1.00 44.13 H new ATOM 0 HB2 PRO A 44 17.790 -1.143 2.465 1.00 51.22 H new ATOM 0 HB3 PRO A 44 16.898 0.365 2.448 1.00 51.22 H new ATOM 0 HG2 PRO A 44 18.077 -1.164 0.136 1.00 0.03 H new ATOM 0 HG3 PRO A 44 16.515 -0.377 0.252 1.00 0.03 H new ATOM 0 HD2 PRO A 44 18.608 0.790 -1.041 1.00 11.34 H new ATOM 0 HD3 PRO A 44 17.399 1.746 -0.208 1.00 11.34 H new ATOM 632 N ALA A 45 21.046 -0.481 1.353 1.00 63.30 N ATOM 633 CA ALA A 45 22.202 -1.368 1.419 1.00 14.44 C ATOM 634 C ALA A 45 23.319 -0.752 2.255 1.00 14.22 C ATOM 635 O ALA A 45 23.622 -1.226 3.350 1.00 13.23 O ATOM 636 CB ALA A 45 22.703 -1.687 0.019 1.00 73.32 C ATOM 0 H ALA A 45 20.945 0.015 0.467 1.00 63.30 H new ATOM 0 HA ALA A 45 21.891 -2.295 1.901 1.00 14.44 H new ATOM 0 HB1 ALA A 45 23.566 -2.350 0.084 1.00 73.32 H new ATOM 0 HB2 ALA A 45 21.911 -2.176 -0.548 1.00 73.32 H new ATOM 0 HB3 ALA A 45 22.992 -0.764 -0.483 1.00 73.32 H new ATOM 642 N PHE A 46 23.928 0.307 1.732 1.00 62.43 N ATOM 643 CA PHE A 46 25.013 0.986 2.429 1.00 5.43 C ATOM 644 C PHE A 46 24.500 1.684 3.686 1.00 71.15 C ATOM 645 O PHE A 46 25.256 1.929 4.625 1.00 33.03 O ATOM 646 CB PHE A 46 25.684 2.005 1.505 1.00 74.23 C ATOM 647 CG PHE A 46 27.071 2.384 1.936 1.00 25.11 C ATOM 648 CD1 PHE A 46 28.163 1.620 1.555 1.00 34.42 C ATOM 649 CD2 PHE A 46 27.285 3.504 2.723 1.00 51.21 C ATOM 650 CE1 PHE A 46 29.441 1.966 1.950 1.00 22.21 C ATOM 651 CE2 PHE A 46 28.561 3.856 3.120 1.00 21.45 C ATOM 652 CZ PHE A 46 29.640 3.085 2.735 1.00 64.23 C ATOM 0 H PHE A 46 23.688 0.713 0.828 1.00 62.43 H new ATOM 0 HA PHE A 46 25.746 0.236 2.724 1.00 5.43 H new ATOM 0 HB2 PHE A 46 25.725 1.596 0.496 1.00 74.23 H new ATOM 0 HB3 PHE A 46 25.068 2.903 1.460 1.00 74.23 H new ATOM 0 HD1 PHE A 46 28.013 0.744 0.942 1.00 34.42 H new ATOM 0 HD2 PHE A 46 26.445 4.109 3.030 1.00 51.21 H new ATOM 0 HE1 PHE A 46 30.283 1.362 1.645 1.00 22.21 H new ATOM 0 HE2 PHE A 46 28.714 4.733 3.731 1.00 21.45 H new ATOM 0 HZ PHE A 46 30.638 3.356 3.047 1.00 64.23 H new ATOM 662 N ALA A 47 23.209 2.001 3.693 1.00 4.32 N ATOM 663 CA ALA A 47 22.594 2.669 4.833 1.00 34.02 C ATOM 664 C ALA A 47 22.417 1.707 6.003 1.00 2.12 C ATOM 665 O ALA A 47 22.629 2.075 7.158 1.00 35.34 O ATOM 666 CB ALA A 47 21.253 3.268 4.433 1.00 4.12 C ATOM 0 H ALA A 47 22.570 1.806 2.923 1.00 4.32 H new ATOM 0 HA ALA A 47 23.258 3.472 5.154 1.00 34.02 H new ATOM 0 HB1 ALA A 47 20.805 3.764 5.294 1.00 4.12 H new ATOM 0 HB2 ALA A 47 21.403 3.994 3.634 1.00 4.12 H new ATOM 0 HB3 ALA A 47 20.590 2.476 4.085 1.00 4.12 H new ATOM 672 N ALA A 48 22.028 0.474 5.696 1.00 40.00 N ATOM 673 CA ALA A 48 21.824 -0.541 6.722 1.00 5.23 C ATOM 674 C ALA A 48 23.099 -1.342 6.962 1.00 24.32 C ATOM 675 O ALA A 48 23.207 -2.076 7.944 1.00 64.34 O ATOM 676 CB ALA A 48 20.683 -1.467 6.330 1.00 54.40 C ATOM 0 H ALA A 48 21.848 0.154 4.744 1.00 40.00 H new ATOM 0 HA ALA A 48 21.563 -0.035 7.651 1.00 5.23 H new ATOM 0 HB1 ALA A 48 20.542 -2.220 7.106 1.00 54.40 H new ATOM 0 HB2 ALA A 48 19.767 -0.888 6.216 1.00 54.40 H new ATOM 0 HB3 ALA A 48 20.921 -1.958 5.387 1.00 54.40 H new ATOM 682 N GLY A 49 24.063 -1.197 6.058 1.00 64.20 N ATOM 683 CA GLY A 49 25.318 -1.915 6.189 1.00 11.24 C ATOM 684 C GLY A 49 25.269 -3.290 5.553 1.00 50.52 C ATOM 685 O GLY A 49 26.131 -4.131 5.808 1.00 31.54 O ATOM 0 H GLY A 49 23.998 -0.595 5.237 1.00 64.20 H new ATOM 0 HA2 GLY A 49 26.116 -1.333 5.728 1.00 11.24 H new ATOM 0 HA3 GLY A 49 25.567 -2.015 7.245 1.00 11.24 H new ATOM 689 N LEU A 50 24.258 -3.519 4.722 1.00 32.45 N ATOM 690 CA LEU A 50 24.098 -4.803 4.048 1.00 23.10 C ATOM 691 C LEU A 50 25.153 -4.981 2.960 1.00 35.31 C ATOM 692 O LEU A 50 25.144 -4.275 1.952 1.00 2.52 O ATOM 693 CB LEU A 50 22.699 -4.912 3.441 1.00 53.14 C ATOM 694 CG LEU A 50 21.604 -5.440 4.368 1.00 14.31 C ATOM 695 CD1 LEU A 50 21.773 -6.933 4.598 1.00 72.50 C ATOM 696 CD2 LEU A 50 21.619 -4.689 5.692 1.00 73.50 C ATOM 0 H LEU A 50 23.537 -2.833 4.499 1.00 32.45 H new ATOM 0 HA LEU A 50 24.228 -5.593 4.788 1.00 23.10 H new ATOM 0 HB2 LEU A 50 22.401 -3.926 3.085 1.00 53.14 H new ATOM 0 HB3 LEU A 50 22.753 -5.563 2.568 1.00 53.14 H new ATOM 0 HG LEU A 50 20.639 -5.275 3.890 1.00 14.31 H new ATOM 0 HD11 LEU A 50 20.985 -7.291 5.260 1.00 72.50 H new ATOM 0 HD12 LEU A 50 21.712 -7.457 3.644 1.00 72.50 H new ATOM 0 HD13 LEU A 50 22.744 -7.123 5.055 1.00 72.50 H new ATOM 0 HD21 LEU A 50 20.833 -5.078 6.340 1.00 73.50 H new ATOM 0 HD22 LEU A 50 22.587 -4.823 6.175 1.00 73.50 H new ATOM 0 HD23 LEU A 50 21.448 -3.628 5.510 1.00 73.50 H new ATOM 708 N ARG A 51 26.058 -5.932 3.170 1.00 14.54 N ATOM 709 CA ARG A 51 27.118 -6.203 2.207 1.00 33.52 C ATOM 710 C ARG A 51 27.401 -7.700 2.118 1.00 32.25 C ATOM 711 O ARG A 51 26.900 -8.486 2.923 1.00 71.33 O ATOM 712 CB ARG A 51 28.394 -5.454 2.596 1.00 34.40 C ATOM 713 CG ARG A 51 28.837 -4.431 1.564 1.00 44.31 C ATOM 714 CD ARG A 51 29.641 -5.078 0.447 1.00 5.12 C ATOM 715 NE ARG A 51 30.628 -4.162 -0.119 1.00 12.31 N ATOM 716 CZ ARG A 51 31.760 -3.831 0.492 1.00 32.15 C ATOM 717 NH1 ARG A 51 32.047 -4.339 1.683 1.00 61.42 N ATOM 718 NH2 ARG A 51 32.607 -2.991 -0.087 1.00 44.32 N ATOM 0 H ARG A 51 26.078 -6.527 3.998 1.00 14.54 H new ATOM 0 HA ARG A 51 26.785 -5.855 1.230 1.00 33.52 H new ATOM 0 HB2 ARG A 51 28.233 -4.950 3.549 1.00 34.40 H new ATOM 0 HB3 ARG A 51 29.197 -6.175 2.748 1.00 34.40 H new ATOM 0 HG2 ARG A 51 27.962 -3.935 1.144 1.00 44.31 H new ATOM 0 HG3 ARG A 51 29.438 -3.661 2.048 1.00 44.31 H new ATOM 0 HD2 ARG A 51 30.147 -5.964 0.831 1.00 5.12 H new ATOM 0 HD3 ARG A 51 28.965 -5.413 -0.339 1.00 5.12 H new ATOM 0 HE ARG A 51 30.437 -3.754 -1.034 1.00 12.31 H new ATOM 0 HH11 ARG A 51 31.398 -4.985 2.132 1.00 61.42 H new ATOM 0 HH12 ARG A 51 32.917 -4.083 2.150 1.00 61.42 H new ATOM 0 HH21 ARG A 51 32.390 -2.598 -1.003 1.00 44.32 H new ATOM 0 HH22 ARG A 51 33.476 -2.738 0.383 1.00 44.32 H new ATOM 732 N VAL A 52 28.207 -8.088 1.135 1.00 53.42 N ATOM 733 CA VAL A 52 28.557 -9.490 0.941 1.00 41.51 C ATOM 734 C VAL A 52 29.160 -10.086 2.208 1.00 43.42 C ATOM 735 O VAL A 52 30.106 -9.540 2.774 1.00 43.51 O ATOM 736 CB VAL A 52 29.554 -9.663 -0.220 1.00 61.42 C ATOM 737 CG1 VAL A 52 28.928 -9.219 -1.533 1.00 52.02 C ATOM 738 CG2 VAL A 52 30.835 -8.891 0.058 1.00 52.35 C ATOM 0 H VAL A 52 28.630 -7.451 0.460 1.00 53.42 H new ATOM 0 HA VAL A 52 27.634 -10.017 0.699 1.00 41.51 H new ATOM 0 HB VAL A 52 29.806 -10.720 -0.305 1.00 61.42 H new ATOM 0 HG11 VAL A 52 29.648 -9.349 -2.341 1.00 52.02 H new ATOM 0 HG12 VAL A 52 28.042 -9.821 -1.736 1.00 52.02 H new ATOM 0 HG13 VAL A 52 28.645 -8.169 -1.464 1.00 52.02 H new ATOM 0 HG21 VAL A 52 31.528 -9.025 -0.773 1.00 52.35 H new ATOM 0 HG22 VAL A 52 30.604 -7.832 0.171 1.00 52.35 H new ATOM 0 HG23 VAL A 52 31.292 -9.263 0.975 1.00 52.35 H new ATOM 748 N GLY A 53 28.606 -11.211 2.648 1.00 71.20 N ATOM 749 CA GLY A 53 29.102 -11.864 3.845 1.00 4.23 C ATOM 750 C GLY A 53 28.263 -11.549 5.068 1.00 72.24 C ATOM 751 O GLY A 53 28.658 -11.849 6.194 1.00 2.34 O ATOM 0 H GLY A 53 27.822 -11.682 2.197 1.00 71.20 H new ATOM 0 HA2 GLY A 53 29.117 -12.942 3.687 1.00 4.23 H new ATOM 0 HA3 GLY A 53 30.131 -11.553 4.025 1.00 4.23 H new ATOM 755 N ASP A 54 27.102 -10.943 4.846 1.00 41.53 N ATOM 756 CA ASP A 54 26.204 -10.586 5.938 1.00 24.24 C ATOM 757 C ASP A 54 25.057 -11.586 6.047 1.00 3.02 C ATOM 758 O ASP A 54 24.419 -11.923 5.050 1.00 0.44 O ATOM 759 CB ASP A 54 25.650 -9.176 5.732 1.00 2.32 C ATOM 760 CG ASP A 54 26.676 -8.101 6.033 1.00 2.10 C ATOM 761 OD1 ASP A 54 27.847 -8.269 5.631 1.00 11.44 O ATOM 762 OD2 ASP A 54 26.308 -7.092 6.669 1.00 2.53 O ATOM 0 H ASP A 54 26.760 -10.689 3.919 1.00 41.53 H new ATOM 0 HA ASP A 54 26.774 -10.611 6.867 1.00 24.24 H new ATOM 0 HB2 ASP A 54 25.308 -9.070 4.702 1.00 2.32 H new ATOM 0 HB3 ASP A 54 24.780 -9.033 6.373 1.00 2.32 H new ATOM 767 N GLN A 55 24.803 -12.057 7.264 1.00 50.12 N ATOM 768 CA GLN A 55 23.734 -13.020 7.502 1.00 50.44 C ATOM 769 C GLN A 55 22.431 -12.310 7.853 1.00 55.11 C ATOM 770 O GLN A 55 22.429 -11.315 8.580 1.00 62.35 O ATOM 771 CB GLN A 55 24.125 -13.980 8.626 1.00 12.03 C ATOM 772 CG GLN A 55 25.466 -14.661 8.406 1.00 32.11 C ATOM 773 CD GLN A 55 25.624 -15.920 9.236 1.00 3.21 C ATOM 774 OE1 GLN A 55 26.614 -16.086 9.950 1.00 13.01 O ATOM 775 NE2 GLN A 55 24.648 -16.815 9.147 1.00 73.03 N ATOM 0 H GLN A 55 25.322 -11.788 8.100 1.00 50.12 H new ATOM 0 HA GLN A 55 23.581 -13.589 6.585 1.00 50.44 H new ATOM 0 HB2 GLN A 55 24.156 -13.431 9.567 1.00 12.03 H new ATOM 0 HB3 GLN A 55 23.352 -14.742 8.727 1.00 12.03 H new ATOM 0 HG2 GLN A 55 25.574 -14.910 7.350 1.00 32.11 H new ATOM 0 HG3 GLN A 55 26.268 -13.965 8.653 1.00 32.11 H new ATOM 0 HE21 GLN A 55 23.846 -16.636 8.543 1.00 73.03 H new ATOM 0 HE22 GLN A 55 24.700 -17.681 9.683 1.00 73.03 H new ATOM 784 N LEU A 56 21.323 -12.827 7.333 1.00 52.42 N ATOM 785 CA LEU A 56 20.011 -12.242 7.591 1.00 24.12 C ATOM 786 C LEU A 56 19.062 -13.277 8.187 1.00 51.33 C ATOM 787 O LEU A 56 18.690 -14.247 7.526 1.00 1.40 O ATOM 788 CB LEU A 56 19.420 -11.675 6.299 1.00 5.23 C ATOM 789 CG LEU A 56 18.715 -10.323 6.420 1.00 23.54 C ATOM 790 CD1 LEU A 56 17.537 -10.420 7.377 1.00 74.34 C ATOM 791 CD2 LEU A 56 19.692 -9.252 6.882 1.00 40.32 C ATOM 0 H LEU A 56 21.307 -13.650 6.730 1.00 52.42 H new ATOM 0 HA LEU A 56 20.136 -11.433 8.311 1.00 24.12 H new ATOM 0 HB2 LEU A 56 20.222 -11.580 5.567 1.00 5.23 H new ATOM 0 HB3 LEU A 56 18.709 -12.399 5.900 1.00 5.23 H new ATOM 0 HG LEU A 56 18.337 -10.042 5.437 1.00 23.54 H new ATOM 0 HD11 LEU A 56 17.047 -9.449 7.451 1.00 74.34 H new ATOM 0 HD12 LEU A 56 16.826 -11.158 7.005 1.00 74.34 H new ATOM 0 HD13 LEU A 56 17.892 -10.723 8.362 1.00 74.34 H new ATOM 0 HD21 LEU A 56 19.173 -8.297 6.963 1.00 40.32 H new ATOM 0 HD22 LEU A 56 20.100 -9.527 7.855 1.00 40.32 H new ATOM 0 HD23 LEU A 56 20.504 -9.164 6.160 1.00 40.32 H new ATOM 803 N VAL A 57 18.671 -13.062 9.439 1.00 20.10 N ATOM 804 CA VAL A 57 17.762 -13.974 10.123 1.00 11.11 C ATOM 805 C VAL A 57 16.316 -13.507 9.995 1.00 62.43 C ATOM 806 O VAL A 57 15.385 -14.308 10.084 1.00 52.44 O ATOM 807 CB VAL A 57 18.117 -14.105 11.616 1.00 32.21 C ATOM 808 CG1 VAL A 57 19.436 -14.842 11.789 1.00 44.33 C ATOM 809 CG2 VAL A 57 18.172 -12.734 12.273 1.00 62.13 C ATOM 0 H VAL A 57 18.969 -12.264 10.000 1.00 20.10 H new ATOM 0 HA VAL A 57 17.870 -14.947 9.644 1.00 11.11 H new ATOM 0 HB VAL A 57 17.337 -14.687 12.107 1.00 32.21 H new ATOM 0 HG11 VAL A 57 19.670 -14.925 12.850 1.00 44.33 H new ATOM 0 HG12 VAL A 57 19.355 -15.839 11.356 1.00 44.33 H new ATOM 0 HG13 VAL A 57 20.230 -14.291 11.284 1.00 44.33 H new ATOM 0 HG21 VAL A 57 18.424 -12.846 13.328 1.00 62.13 H new ATOM 0 HG22 VAL A 57 18.930 -12.125 11.781 1.00 62.13 H new ATOM 0 HG23 VAL A 57 17.201 -12.248 12.182 1.00 62.13 H new ATOM 819 N ARG A 58 16.136 -12.207 9.785 1.00 61.53 N ATOM 820 CA ARG A 58 14.803 -11.634 9.645 1.00 42.34 C ATOM 821 C ARG A 58 14.107 -11.539 10.999 1.00 31.01 C ATOM 822 O ARG A 58 13.700 -10.458 11.426 1.00 62.03 O ATOM 823 CB ARG A 58 13.961 -12.475 8.684 1.00 71.10 C ATOM 824 CG ARG A 58 13.102 -11.647 7.742 1.00 32.22 C ATOM 825 CD ARG A 58 11.631 -11.717 8.123 1.00 3.12 C ATOM 826 NE ARG A 58 10.990 -10.406 8.073 1.00 40.25 N ATOM 827 CZ ARG A 58 9.815 -10.140 8.633 1.00 62.23 C ATOM 828 NH1 ARG A 58 9.157 -11.090 9.283 1.00 41.02 N ATOM 829 NH2 ARG A 58 9.297 -8.922 8.543 1.00 35.15 N ATOM 0 H ARG A 58 16.896 -11.531 9.708 1.00 61.53 H new ATOM 0 HA ARG A 58 14.908 -10.628 9.239 1.00 42.34 H new ATOM 0 HB2 ARG A 58 14.623 -13.110 8.095 1.00 71.10 H new ATOM 0 HB3 ARG A 58 13.317 -13.137 9.263 1.00 71.10 H new ATOM 0 HG2 ARG A 58 13.435 -10.609 7.761 1.00 32.22 H new ATOM 0 HG3 ARG A 58 13.232 -12.004 6.720 1.00 32.22 H new ATOM 0 HD2 ARG A 58 11.114 -12.399 7.448 1.00 3.12 H new ATOM 0 HD3 ARG A 58 11.536 -12.129 9.128 1.00 3.12 H new ATOM 0 HE ARG A 58 11.471 -9.653 7.581 1.00 40.25 H new ATOM 0 HH11 ARG A 58 9.553 -12.027 9.354 1.00 41.02 H new ATOM 0 HH12 ARG A 58 8.255 -10.883 9.712 1.00 41.02 H new ATOM 0 HH21 ARG A 58 9.801 -8.189 8.044 1.00 35.15 H new ATOM 0 HH22 ARG A 58 8.395 -8.718 8.973 1.00 35.15 H new ATOM 843 N PHE A 59 13.973 -12.678 11.670 1.00 14.04 N ATOM 844 CA PHE A 59 13.324 -12.724 12.976 1.00 62.12 C ATOM 845 C PHE A 59 14.359 -12.777 14.096 1.00 63.34 C ATOM 846 O PHE A 59 15.449 -13.323 13.923 1.00 73.10 O ATOM 847 CB PHE A 59 12.397 -13.938 13.065 1.00 15.45 C ATOM 848 CG PHE A 59 11.848 -14.172 14.444 1.00 72.12 C ATOM 849 CD1 PHE A 59 10.859 -13.349 14.959 1.00 23.25 C ATOM 850 CD2 PHE A 59 12.320 -15.215 15.224 1.00 72.54 C ATOM 851 CE1 PHE A 59 10.353 -13.562 16.228 1.00 63.42 C ATOM 852 CE2 PHE A 59 11.817 -15.434 16.493 1.00 43.24 C ATOM 853 CZ PHE A 59 10.832 -14.607 16.995 1.00 51.32 C ATOM 0 H PHE A 59 14.305 -13.581 11.332 1.00 14.04 H new ATOM 0 HA PHE A 59 12.734 -11.815 13.093 1.00 62.12 H new ATOM 0 HB2 PHE A 59 11.568 -13.804 12.370 1.00 15.45 H new ATOM 0 HB3 PHE A 59 12.942 -14.826 12.744 1.00 15.45 H new ATOM 0 HD1 PHE A 59 10.479 -12.532 14.363 1.00 23.25 H new ATOM 0 HD2 PHE A 59 13.090 -15.865 14.836 1.00 72.54 H new ATOM 0 HE1 PHE A 59 9.584 -12.912 16.619 1.00 63.42 H new ATOM 0 HE2 PHE A 59 12.194 -16.251 17.091 1.00 43.24 H new ATOM 0 HZ PHE A 59 10.436 -14.776 17.986 1.00 51.32 H new ATOM 863 N ALA A 60 14.010 -12.206 15.244 1.00 43.45 N ATOM 864 CA ALA A 60 14.907 -12.189 16.392 1.00 3.43 C ATOM 865 C ALA A 60 14.964 -13.556 17.065 1.00 70.02 C ATOM 866 O ALA A 60 14.769 -13.673 18.274 1.00 54.42 O ATOM 867 CB ALA A 60 14.469 -11.126 17.389 1.00 54.12 C ATOM 0 H ALA A 60 13.112 -11.749 15.403 1.00 43.45 H new ATOM 0 HA ALA A 60 15.908 -11.947 16.035 1.00 3.43 H new ATOM 0 HB1 ALA A 60 15.148 -11.125 18.241 1.00 54.12 H new ATOM 0 HB2 ALA A 60 14.487 -10.148 16.909 1.00 54.12 H new ATOM 0 HB3 ALA A 60 13.457 -11.343 17.732 1.00 54.12 H new ATOM 873 N GLY A 61 15.232 -14.590 16.273 1.00 42.35 N ATOM 874 CA GLY A 61 15.309 -15.936 16.810 1.00 54.34 C ATOM 875 C GLY A 61 16.392 -16.763 16.148 1.00 64.34 C ATOM 876 O GLY A 61 16.534 -17.953 16.430 1.00 70.41 O ATOM 0 H GLY A 61 15.397 -14.519 15.269 1.00 42.35 H new ATOM 0 HA2 GLY A 61 15.499 -15.886 17.882 1.00 54.34 H new ATOM 0 HA3 GLY A 61 14.347 -16.431 16.680 1.00 54.34 H new ATOM 880 N TYR A 62 17.158 -16.134 15.264 1.00 42.35 N ATOM 881 CA TYR A 62 18.232 -16.821 14.556 1.00 2.11 C ATOM 882 C TYR A 62 17.675 -17.917 13.653 1.00 25.42 C ATOM 883 O TYR A 62 17.833 -19.107 13.931 1.00 73.05 O ATOM 884 CB TYR A 62 19.226 -17.421 15.553 1.00 55.33 C ATOM 885 CG TYR A 62 19.611 -16.475 16.667 1.00 1.42 C ATOM 886 CD1 TYR A 62 20.197 -15.246 16.390 1.00 45.31 C ATOM 887 CD2 TYR A 62 19.390 -16.810 17.997 1.00 2.43 C ATOM 888 CE1 TYR A 62 20.552 -14.378 17.405 1.00 62.21 C ATOM 889 CE2 TYR A 62 19.740 -15.948 19.019 1.00 42.24 C ATOM 890 CZ TYR A 62 20.321 -14.734 18.717 1.00 0.55 C ATOM 891 OH TYR A 62 20.672 -13.873 19.732 1.00 4.11 O ATOM 0 H TYR A 62 17.055 -15.149 15.020 1.00 42.35 H new ATOM 0 HA TYR A 62 18.748 -16.090 13.933 1.00 2.11 H new ATOM 0 HB2 TYR A 62 18.793 -18.323 15.987 1.00 55.33 H new ATOM 0 HB3 TYR A 62 20.126 -17.725 15.018 1.00 55.33 H new ATOM 0 HD1 TYR A 62 20.378 -14.964 15.363 1.00 45.31 H new ATOM 0 HD2 TYR A 62 18.937 -17.761 18.236 1.00 2.43 H new ATOM 0 HE1 TYR A 62 21.007 -13.427 17.172 1.00 62.21 H new ATOM 0 HE2 TYR A 62 19.560 -16.223 20.048 1.00 42.24 H new ATOM 0 HH TYR A 62 20.441 -14.274 20.596 1.00 4.11 H new ATOM 901 N THR A 63 17.023 -17.508 12.569 1.00 24.32 N ATOM 902 CA THR A 63 16.442 -18.454 11.625 1.00 43.35 C ATOM 903 C THR A 63 15.706 -17.729 10.504 1.00 42.33 C ATOM 904 O THR A 63 14.959 -16.782 10.749 1.00 15.11 O ATOM 905 CB THR A 63 15.467 -19.419 12.324 1.00 55.21 C ATOM 906 OG1 THR A 63 14.711 -20.145 11.348 1.00 43.44 O ATOM 907 CG2 THR A 63 14.521 -18.660 13.243 1.00 72.32 C ATOM 0 H THR A 63 16.884 -16.528 12.323 1.00 24.32 H new ATOM 0 HA THR A 63 17.268 -19.027 11.203 1.00 43.35 H new ATOM 0 HB THR A 63 16.050 -20.118 12.924 1.00 55.21 H new ATOM 0 HG1 THR A 63 14.095 -20.758 11.801 1.00 43.44 H new ATOM 0 HG21 THR A 63 13.841 -19.362 13.726 1.00 72.32 H new ATOM 0 HG22 THR A 63 15.097 -18.132 14.003 1.00 72.32 H new ATOM 0 HG23 THR A 63 13.946 -17.941 12.660 1.00 72.32 H new ATOM 915 N VAL A 64 15.922 -18.179 9.272 1.00 71.41 N ATOM 916 CA VAL A 64 15.277 -17.574 8.113 1.00 70.44 C ATOM 917 C VAL A 64 14.775 -18.640 7.145 1.00 42.15 C ATOM 918 O VAL A 64 15.289 -19.759 7.113 1.00 3.41 O ATOM 919 CB VAL A 64 16.237 -16.629 7.366 1.00 70.30 C ATOM 920 CG1 VAL A 64 17.340 -17.421 6.680 1.00 53.13 C ATOM 921 CG2 VAL A 64 15.474 -15.781 6.360 1.00 15.23 C ATOM 0 H VAL A 64 16.539 -18.961 9.051 1.00 71.41 H new ATOM 0 HA VAL A 64 14.430 -16.998 8.486 1.00 70.44 H new ATOM 0 HB VAL A 64 16.700 -15.961 8.093 1.00 70.30 H new ATOM 0 HG11 VAL A 64 18.008 -16.737 6.157 1.00 53.13 H new ATOM 0 HG12 VAL A 64 17.904 -17.980 7.426 1.00 53.13 H new ATOM 0 HG13 VAL A 64 16.899 -18.114 5.964 1.00 53.13 H new ATOM 0 HG21 VAL A 64 16.168 -15.119 5.841 1.00 15.23 H new ATOM 0 HG22 VAL A 64 14.982 -16.430 5.636 1.00 15.23 H new ATOM 0 HG23 VAL A 64 14.725 -15.185 6.881 1.00 15.23 H new ATOM 931 N THR A 65 13.767 -18.286 6.354 1.00 51.43 N ATOM 932 CA THR A 65 13.194 -19.211 5.384 1.00 23.03 C ATOM 933 C THR A 65 13.993 -19.211 4.086 1.00 21.20 C ATOM 934 O THR A 65 14.779 -20.123 3.831 1.00 4.32 O ATOM 935 CB THR A 65 11.727 -18.860 5.071 1.00 24.12 C ATOM 936 OG1 THR A 65 11.465 -17.496 5.419 1.00 20.12 O ATOM 937 CG2 THR A 65 10.778 -19.774 5.831 1.00 23.32 C ATOM 0 H THR A 65 13.330 -17.364 6.366 1.00 51.43 H new ATOM 0 HA THR A 65 13.234 -20.204 5.832 1.00 23.03 H new ATOM 0 HB THR A 65 11.563 -19.000 4.003 1.00 24.12 H new ATOM 0 HG1 THR A 65 10.502 -17.325 5.367 1.00 20.12 H new ATOM 0 HG21 THR A 65 9.748 -19.507 5.594 1.00 23.32 H new ATOM 0 HG22 THR A 65 10.960 -20.809 5.542 1.00 23.32 H new ATOM 0 HG23 THR A 65 10.945 -19.662 6.902 1.00 23.32 H new ATOM 945 N GLU A 66 13.786 -18.183 3.269 1.00 4.02 N ATOM 946 CA GLU A 66 14.489 -18.066 1.997 1.00 75.15 C ATOM 947 C GLU A 66 14.549 -16.611 1.540 1.00 25.24 C ATOM 948 O GLU A 66 14.123 -15.705 2.258 1.00 75.35 O ATOM 949 CB GLU A 66 13.800 -18.918 0.929 1.00 71.54 C ATOM 950 CG GLU A 66 12.377 -18.481 0.625 1.00 34.35 C ATOM 951 CD GLU A 66 11.778 -19.220 -0.556 1.00 24.32 C ATOM 952 OE1 GLU A 66 12.553 -19.768 -1.368 1.00 11.31 O ATOM 953 OE2 GLU A 66 10.535 -19.251 -0.668 1.00 32.04 O ATOM 0 H GLU A 66 13.138 -17.420 3.465 1.00 4.02 H new ATOM 0 HA GLU A 66 15.508 -18.427 2.140 1.00 75.15 H new ATOM 0 HB2 GLU A 66 14.387 -18.879 0.011 1.00 71.54 H new ATOM 0 HB3 GLU A 66 13.790 -19.957 1.257 1.00 71.54 H new ATOM 0 HG2 GLU A 66 11.755 -18.645 1.505 1.00 34.35 H new ATOM 0 HG3 GLU A 66 12.366 -17.410 0.422 1.00 34.35 H new ATOM 960 N LEU A 67 15.084 -16.395 0.343 1.00 15.35 N ATOM 961 CA LEU A 67 15.202 -15.050 -0.210 1.00 14.02 C ATOM 962 C LEU A 67 13.826 -14.457 -0.497 1.00 41.32 C ATOM 963 O LEU A 67 13.599 -13.264 -0.294 1.00 72.45 O ATOM 964 CB LEU A 67 16.036 -15.076 -1.491 1.00 44.03 C ATOM 965 CG LEU A 67 15.578 -16.057 -2.571 1.00 41.21 C ATOM 966 CD1 LEU A 67 14.588 -15.389 -3.513 1.00 30.40 C ATOM 967 CD2 LEU A 67 16.773 -16.595 -3.345 1.00 30.15 C ATOM 0 H LEU A 67 15.443 -17.133 -0.263 1.00 15.35 H new ATOM 0 HA LEU A 67 15.701 -14.422 0.528 1.00 14.02 H new ATOM 0 HB2 LEU A 67 16.041 -14.073 -1.918 1.00 44.03 H new ATOM 0 HB3 LEU A 67 17.066 -15.314 -1.225 1.00 44.03 H new ATOM 0 HG LEU A 67 15.078 -16.895 -2.085 1.00 41.21 H new ATOM 0 HD11 LEU A 67 14.273 -16.102 -4.275 1.00 30.40 H new ATOM 0 HD12 LEU A 67 13.718 -15.053 -2.948 1.00 30.40 H new ATOM 0 HD13 LEU A 67 15.062 -14.532 -3.992 1.00 30.40 H new ATOM 0 HD21 LEU A 67 16.428 -17.291 -4.109 1.00 30.15 H new ATOM 0 HD22 LEU A 67 17.301 -15.768 -3.820 1.00 30.15 H new ATOM 0 HD23 LEU A 67 17.447 -17.111 -2.661 1.00 30.15 H new ATOM 979 N ALA A 68 12.911 -15.298 -0.969 1.00 5.33 N ATOM 980 CA ALA A 68 11.557 -14.858 -1.280 1.00 2.52 C ATOM 981 C ALA A 68 10.888 -14.236 -0.059 1.00 33.24 C ATOM 982 O ALA A 68 10.202 -13.220 -0.165 1.00 1.12 O ATOM 983 CB ALA A 68 10.730 -16.023 -1.802 1.00 21.24 C ATOM 0 H ALA A 68 13.083 -16.288 -1.144 1.00 5.33 H new ATOM 0 HA ALA A 68 11.619 -14.095 -2.056 1.00 2.52 H new ATOM 0 HB1 ALA A 68 9.721 -15.680 -2.030 1.00 21.24 H new ATOM 0 HB2 ALA A 68 11.191 -16.420 -2.706 1.00 21.24 H new ATOM 0 HB3 ALA A 68 10.684 -16.805 -1.044 1.00 21.24 H new ATOM 989 N ALA A 69 11.091 -14.854 1.100 1.00 32.32 N ATOM 990 CA ALA A 69 10.508 -14.361 2.342 1.00 52.23 C ATOM 991 C ALA A 69 11.022 -12.964 2.672 1.00 11.33 C ATOM 992 O ALA A 69 10.243 -12.063 2.985 1.00 3.30 O ATOM 993 CB ALA A 69 10.808 -15.320 3.484 1.00 44.11 C ATOM 0 H ALA A 69 11.655 -15.697 1.205 1.00 32.32 H new ATOM 0 HA ALA A 69 9.428 -14.300 2.209 1.00 52.23 H new ATOM 0 HB1 ALA A 69 10.366 -14.939 4.405 1.00 44.11 H new ATOM 0 HB2 ALA A 69 10.386 -16.299 3.257 1.00 44.11 H new ATOM 0 HB3 ALA A 69 11.887 -15.410 3.609 1.00 44.11 H new ATOM 999 N PHE A 70 12.338 -12.790 2.602 1.00 75.41 N ATOM 1000 CA PHE A 70 12.956 -11.503 2.896 1.00 52.25 C ATOM 1001 C PHE A 70 12.599 -10.472 1.829 1.00 72.04 C ATOM 1002 O PHE A 70 12.458 -9.285 2.120 1.00 74.22 O ATOM 1003 CB PHE A 70 14.476 -11.652 2.988 1.00 72.20 C ATOM 1004 CG PHE A 70 15.200 -10.343 3.116 1.00 2.31 C ATOM 1005 CD1 PHE A 70 15.099 -9.590 4.275 1.00 30.54 C ATOM 1006 CD2 PHE A 70 15.983 -9.864 2.078 1.00 73.24 C ATOM 1007 CE1 PHE A 70 15.764 -8.385 4.395 1.00 11.24 C ATOM 1008 CE2 PHE A 70 16.650 -8.659 2.192 1.00 23.31 C ATOM 1009 CZ PHE A 70 16.541 -7.919 3.353 1.00 25.31 C ATOM 0 H PHE A 70 12.997 -13.525 2.344 1.00 75.41 H new ATOM 0 HA PHE A 70 12.573 -11.155 3.855 1.00 52.25 H new ATOM 0 HB2 PHE A 70 14.720 -12.279 3.846 1.00 72.20 H new ATOM 0 HB3 PHE A 70 14.836 -12.172 2.100 1.00 72.20 H new ATOM 0 HD1 PHE A 70 14.493 -9.949 5.094 1.00 30.54 H new ATOM 0 HD2 PHE A 70 16.073 -10.439 1.169 1.00 73.24 H new ATOM 0 HE1 PHE A 70 15.676 -7.808 5.304 1.00 11.24 H new ATOM 0 HE2 PHE A 70 17.256 -8.297 1.374 1.00 23.31 H new ATOM 0 HZ PHE A 70 17.062 -6.978 3.446 1.00 25.31 H new ATOM 1019 N ASN A 71 12.455 -10.936 0.591 1.00 11.52 N ATOM 1020 CA ASN A 71 12.116 -10.054 -0.520 1.00 74.53 C ATOM 1021 C ASN A 71 10.660 -9.606 -0.434 1.00 72.34 C ATOM 1022 O ASN A 71 10.323 -8.477 -0.793 1.00 62.33 O ATOM 1023 CB ASN A 71 12.365 -10.762 -1.854 1.00 22.13 C ATOM 1024 CG ASN A 71 12.159 -9.844 -3.043 1.00 12.00 C ATOM 1025 OD1 ASN A 71 12.813 -8.808 -3.162 1.00 61.04 O ATOM 1026 ND2 ASN A 71 11.245 -10.221 -3.930 1.00 21.12 N ATOM 0 H ASN A 71 12.568 -11.916 0.333 1.00 11.52 H new ATOM 0 HA ASN A 71 12.753 -9.172 -0.459 1.00 74.53 H new ATOM 0 HB2 ASN A 71 13.383 -11.151 -1.871 1.00 22.13 H new ATOM 0 HB3 ASN A 71 11.695 -11.618 -1.939 1.00 22.13 H new ATOM 0 HD21 ASN A 71 11.062 -9.643 -4.750 1.00 21.12 H new ATOM 0 HD22 ASN A 71 10.726 -11.088 -3.791 1.00 21.12 H new ATOM 1033 N THR A 72 9.799 -10.499 0.045 1.00 53.23 N ATOM 1034 CA THR A 72 8.379 -10.196 0.178 1.00 62.52 C ATOM 1035 C THR A 72 8.131 -9.210 1.313 1.00 22.12 C ATOM 1036 O THR A 72 7.410 -8.226 1.148 1.00 31.30 O ATOM 1037 CB THR A 72 7.554 -11.472 0.432 1.00 65.30 C ATOM 1038 OG1 THR A 72 7.776 -12.417 -0.621 1.00 50.23 O ATOM 1039 CG2 THR A 72 6.071 -11.148 0.526 1.00 62.13 C ATOM 0 H THR A 72 10.060 -11.438 0.347 1.00 53.23 H new ATOM 0 HA THR A 72 8.062 -9.748 -0.764 1.00 62.52 H new ATOM 0 HB THR A 72 7.876 -11.903 1.380 1.00 65.30 H new ATOM 0 HG1 THR A 72 8.585 -12.935 -0.430 1.00 50.23 H new ATOM 0 HG21 THR A 72 5.509 -12.065 0.706 1.00 62.13 H new ATOM 0 HG22 THR A 72 5.902 -10.452 1.348 1.00 62.13 H new ATOM 0 HG23 THR A 72 5.738 -10.695 -0.408 1.00 62.13 H new ATOM 1047 N VAL A 73 8.734 -9.479 2.467 1.00 62.10 N ATOM 1048 CA VAL A 73 8.580 -8.614 3.630 1.00 0.42 C ATOM 1049 C VAL A 73 9.107 -7.212 3.346 1.00 52.44 C ATOM 1050 O VAL A 73 8.482 -6.216 3.711 1.00 11.20 O ATOM 1051 CB VAL A 73 9.314 -9.187 4.857 1.00 12.42 C ATOM 1052 CG1 VAL A 73 8.648 -10.471 5.326 1.00 71.30 C ATOM 1053 CG2 VAL A 73 10.782 -9.423 4.537 1.00 71.41 C ATOM 0 H VAL A 73 9.334 -10.290 2.621 1.00 62.10 H new ATOM 0 HA VAL A 73 7.513 -8.561 3.846 1.00 0.42 H new ATOM 0 HB VAL A 73 9.255 -8.460 5.667 1.00 12.42 H new ATOM 0 HG11 VAL A 73 9.180 -10.861 6.193 1.00 71.30 H new ATOM 0 HG12 VAL A 73 7.613 -10.266 5.598 1.00 71.30 H new ATOM 0 HG13 VAL A 73 8.673 -11.208 4.523 1.00 71.30 H new ATOM 0 HG21 VAL A 73 11.285 -9.828 5.415 1.00 71.41 H new ATOM 0 HG22 VAL A 73 10.865 -10.131 3.712 1.00 71.41 H new ATOM 0 HG23 VAL A 73 11.249 -8.480 4.254 1.00 71.41 H new ATOM 1063 N VAL A 74 10.261 -7.141 2.690 1.00 0.31 N ATOM 1064 CA VAL A 74 10.872 -5.860 2.354 1.00 22.23 C ATOM 1065 C VAL A 74 10.061 -5.126 1.293 1.00 43.14 C ATOM 1066 O VAL A 74 9.742 -3.947 1.446 1.00 71.42 O ATOM 1067 CB VAL A 74 12.315 -6.043 1.848 1.00 41.35 C ATOM 1068 CG1 VAL A 74 12.876 -4.721 1.346 1.00 5.35 C ATOM 1069 CG2 VAL A 74 13.195 -6.624 2.944 1.00 0.41 C ATOM 0 H VAL A 74 10.792 -7.955 2.381 1.00 0.31 H new ATOM 0 HA VAL A 74 10.888 -5.267 3.268 1.00 22.23 H new ATOM 0 HB VAL A 74 12.303 -6.745 1.014 1.00 41.35 H new ATOM 0 HG11 VAL A 74 13.896 -4.870 0.992 1.00 5.35 H new ATOM 0 HG12 VAL A 74 12.259 -4.351 0.527 1.00 5.35 H new ATOM 0 HG13 VAL A 74 12.876 -3.994 2.158 1.00 5.35 H new ATOM 0 HG21 VAL A 74 14.211 -6.746 2.568 1.00 0.41 H new ATOM 0 HG22 VAL A 74 13.203 -5.949 3.800 1.00 0.41 H new ATOM 0 HG23 VAL A 74 12.802 -7.594 3.250 1.00 0.41 H new ATOM 1079 N ALA A 75 9.731 -5.831 0.216 1.00 52.04 N ATOM 1080 CA ALA A 75 8.955 -5.247 -0.871 1.00 74.02 C ATOM 1081 C ALA A 75 7.584 -4.791 -0.383 1.00 53.04 C ATOM 1082 O ALA A 75 7.122 -3.703 -0.728 1.00 41.01 O ATOM 1083 CB ALA A 75 8.807 -6.245 -2.010 1.00 35.42 C ATOM 0 H ALA A 75 9.989 -6.807 0.073 1.00 52.04 H new ATOM 0 HA ALA A 75 9.491 -4.372 -1.238 1.00 74.02 H new ATOM 0 HB1 ALA A 75 8.225 -5.795 -2.815 1.00 35.42 H new ATOM 0 HB2 ALA A 75 9.793 -6.519 -2.384 1.00 35.42 H new ATOM 0 HB3 ALA A 75 8.296 -7.137 -1.648 1.00 35.42 H new ATOM 1089 N ARG A 76 6.937 -5.630 0.420 1.00 44.23 N ATOM 1090 CA ARG A 76 5.618 -5.313 0.953 1.00 20.01 C ATOM 1091 C ARG A 76 5.650 -4.007 1.742 1.00 73.30 C ATOM 1092 O ARG A 76 4.659 -3.277 1.794 1.00 24.14 O ATOM 1093 CB ARG A 76 5.120 -6.450 1.847 1.00 13.34 C ATOM 1094 CG ARG A 76 4.294 -7.489 1.108 1.00 70.54 C ATOM 1095 CD ARG A 76 4.766 -7.657 -0.328 1.00 54.44 C ATOM 1096 NE ARG A 76 4.281 -8.900 -0.922 1.00 41.34 N ATOM 1097 CZ ARG A 76 4.217 -9.112 -2.232 1.00 71.21 C ATOM 1098 NH1 ARG A 76 4.605 -8.169 -3.080 1.00 32.52 N ATOM 1099 NH2 ARG A 76 3.764 -10.270 -2.696 1.00 64.02 N ATOM 0 H ARG A 76 7.305 -6.534 0.715 1.00 44.23 H new ATOM 0 HA ARG A 76 4.933 -5.193 0.114 1.00 20.01 H new ATOM 0 HB2 ARG A 76 5.977 -6.941 2.308 1.00 13.34 H new ATOM 0 HB3 ARG A 76 4.521 -6.030 2.655 1.00 13.34 H new ATOM 0 HG2 ARG A 76 4.360 -8.445 1.628 1.00 70.54 H new ATOM 0 HG3 ARG A 76 3.245 -7.194 1.115 1.00 70.54 H new ATOM 0 HD2 ARG A 76 4.421 -6.812 -0.924 1.00 54.44 H new ATOM 0 HD3 ARG A 76 5.856 -7.643 -0.355 1.00 54.44 H new ATOM 0 HE ARG A 76 3.975 -9.646 -0.297 1.00 41.34 H new ATOM 0 HH11 ARG A 76 4.954 -7.278 -2.727 1.00 32.52 H new ATOM 0 HH12 ARG A 76 4.555 -8.335 -4.085 1.00 32.52 H new ATOM 0 HH21 ARG A 76 3.465 -10.998 -2.047 1.00 64.02 H new ATOM 0 HH22 ARG A 76 3.715 -10.432 -3.702 1.00 64.02 H new ATOM 1113 N HIS A 77 6.794 -3.720 2.355 1.00 53.21 N ATOM 1114 CA HIS A 77 6.955 -2.502 3.141 1.00 15.14 C ATOM 1115 C HIS A 77 7.321 -1.322 2.247 1.00 44.14 C ATOM 1116 O HIS A 77 6.464 -0.520 1.877 1.00 52.14 O ATOM 1117 CB HIS A 77 8.029 -2.699 4.212 1.00 53.15 C ATOM 1118 CG HIS A 77 7.642 -3.680 5.275 1.00 70.21 C ATOM 1119 ND1 HIS A 77 6.332 -3.938 5.621 1.00 62.15 N ATOM 1120 CD2 HIS A 77 8.402 -4.470 6.069 1.00 13.24 C ATOM 1121 CE1 HIS A 77 6.303 -4.843 6.583 1.00 42.31 C ATOM 1122 NE2 HIS A 77 7.546 -5.182 6.873 1.00 21.32 N ATOM 0 H HIS A 77 7.623 -4.314 2.323 1.00 53.21 H new ATOM 0 HA HIS A 77 6.004 -2.285 3.627 1.00 15.14 H new ATOM 0 HB2 HIS A 77 8.949 -3.037 3.735 1.00 53.15 H new ATOM 0 HB3 HIS A 77 8.246 -1.738 4.678 1.00 53.15 H new ATOM 0 HD2 HIS A 77 9.480 -4.529 6.070 1.00 13.24 H new ATOM 0 HE1 HIS A 77 5.414 -5.238 7.052 1.00 42.31 H new ATOM 0 HE2 HIS A 77 7.825 -5.862 7.580 1.00 21.32 H new ATOM 1130 N VAL A 78 8.602 -1.222 1.903 1.00 54.51 N ATOM 1131 CA VAL A 78 9.082 -0.140 1.051 1.00 0.15 C ATOM 1132 C VAL A 78 8.493 1.200 1.480 1.00 61.53 C ATOM 1133 O VAL A 78 7.609 1.741 0.815 1.00 4.45 O ATOM 1134 CB VAL A 78 8.733 -0.392 -0.427 1.00 61.43 C ATOM 1135 CG1 VAL A 78 9.291 0.717 -1.305 1.00 4.41 C ATOM 1136 CG2 VAL A 78 9.255 -1.750 -0.873 1.00 44.23 C ATOM 0 H VAL A 78 9.325 -1.877 2.201 1.00 54.51 H new ATOM 0 HA VAL A 78 10.166 -0.109 1.160 1.00 0.15 H new ATOM 0 HB VAL A 78 7.648 -0.393 -0.531 1.00 61.43 H new ATOM 0 HG11 VAL A 78 9.034 0.521 -2.346 1.00 4.41 H new ATOM 0 HG12 VAL A 78 8.864 1.672 -1.000 1.00 4.41 H new ATOM 0 HG13 VAL A 78 10.375 0.754 -1.200 1.00 4.41 H new ATOM 0 HG21 VAL A 78 9.000 -1.912 -1.920 1.00 44.23 H new ATOM 0 HG22 VAL A 78 10.338 -1.780 -0.755 1.00 44.23 H new ATOM 0 HG23 VAL A 78 8.802 -2.532 -0.264 1.00 44.23 H new ATOM 1146 N ARG A 79 8.989 1.729 2.593 1.00 30.23 N ATOM 1147 CA ARG A 79 8.511 3.005 3.111 1.00 3.21 C ATOM 1148 C ARG A 79 9.473 4.133 2.748 1.00 12.21 C ATOM 1149 O ARG A 79 10.641 3.908 2.429 1.00 15.25 O ATOM 1150 CB ARG A 79 8.343 2.933 4.630 1.00 62.01 C ATOM 1151 CG ARG A 79 6.894 2.836 5.078 1.00 22.34 C ATOM 1152 CD ARG A 79 6.667 1.625 5.970 1.00 22.00 C ATOM 1153 NE ARG A 79 5.263 1.226 6.004 1.00 13.02 N ATOM 1154 CZ ARG A 79 4.822 0.143 6.634 1.00 75.33 C ATOM 1155 NH1 ARG A 79 5.671 -0.645 7.278 1.00 33.44 N ATOM 1156 NH2 ARG A 79 3.528 -0.154 6.619 1.00 3.15 N ATOM 0 H ARG A 79 9.722 1.294 3.154 1.00 30.23 H new ATOM 0 HA ARG A 79 7.543 3.214 2.655 1.00 3.21 H new ATOM 0 HB2 ARG A 79 8.890 2.069 5.007 1.00 62.01 H new ATOM 0 HB3 ARG A 79 8.795 3.817 5.079 1.00 62.01 H new ATOM 0 HG2 ARG A 79 6.617 3.743 5.616 1.00 22.34 H new ATOM 0 HG3 ARG A 79 6.245 2.773 4.204 1.00 22.34 H new ATOM 0 HD2 ARG A 79 7.272 0.792 5.611 1.00 22.00 H new ATOM 0 HD3 ARG A 79 7.004 1.852 6.982 1.00 22.00 H new ATOM 0 HE ARG A 79 4.584 1.811 5.517 1.00 13.02 H new ATOM 0 HH11 ARG A 79 6.666 -0.420 7.291 1.00 33.44 H new ATOM 0 HH12 ARG A 79 5.330 -1.476 7.761 1.00 33.44 H new ATOM 0 HH21 ARG A 79 2.872 0.450 6.123 1.00 3.15 H new ATOM 0 HH22 ARG A 79 3.190 -0.986 7.103 1.00 3.15 H new ATOM 1170 N PRO A 80 8.972 5.376 2.796 1.00 12.53 N ATOM 1171 CA PRO A 80 9.769 6.564 2.476 1.00 42.12 C ATOM 1172 C PRO A 80 10.836 6.848 3.528 1.00 35.32 C ATOM 1173 O PRO A 80 11.744 7.647 3.305 1.00 43.40 O ATOM 1174 CB PRO A 80 8.733 7.690 2.448 1.00 53.22 C ATOM 1175 CG PRO A 80 7.631 7.213 3.330 1.00 50.02 C ATOM 1176 CD PRO A 80 7.589 5.719 3.168 1.00 74.32 C ATOM 0 HA PRO A 80 10.317 6.447 1.541 1.00 42.12 H new ATOM 0 HB2 PRO A 80 9.156 8.626 2.813 1.00 53.22 H new ATOM 0 HB3 PRO A 80 8.377 7.875 1.435 1.00 53.22 H new ATOM 0 HG2 PRO A 80 7.815 7.488 4.368 1.00 50.02 H new ATOM 0 HG3 PRO A 80 6.680 7.663 3.045 1.00 50.02 H new ATOM 0 HD2 PRO A 80 7.287 5.223 4.090 1.00 74.32 H new ATOM 0 HD3 PRO A 80 6.879 5.418 2.397 1.00 74.32 H new ATOM 1184 N SER A 81 10.719 6.187 4.676 1.00 74.14 N ATOM 1185 CA SER A 81 11.671 6.371 5.764 1.00 23.21 C ATOM 1186 C SER A 81 11.229 5.607 7.008 1.00 32.33 C ATOM 1187 O SER A 81 11.016 6.195 8.068 1.00 22.32 O ATOM 1188 CB SER A 81 11.823 7.858 6.092 1.00 72.52 C ATOM 1189 OG SER A 81 12.950 8.412 5.436 1.00 22.04 O ATOM 0 H SER A 81 9.974 5.519 4.876 1.00 74.14 H new ATOM 0 HA SER A 81 12.635 5.977 5.440 1.00 23.21 H new ATOM 0 HB2 SER A 81 10.923 8.394 5.791 1.00 72.52 H new ATOM 0 HB3 SER A 81 11.925 7.987 7.169 1.00 72.52 H new ATOM 0 HG SER A 81 12.759 8.504 4.479 1.00 22.04 H new ATOM 1195 N ALA A 82 11.092 4.292 6.870 1.00 1.01 N ATOM 1196 CA ALA A 82 10.677 3.446 7.982 1.00 10.01 C ATOM 1197 C ALA A 82 11.773 2.454 8.356 1.00 2.34 C ATOM 1198 O ALA A 82 12.322 1.767 7.495 1.00 30.13 O ATOM 1199 CB ALA A 82 9.392 2.709 7.634 1.00 43.03 C ATOM 0 H ALA A 82 11.262 3.790 5.999 1.00 1.01 H new ATOM 0 HA ALA A 82 10.493 4.087 8.844 1.00 10.01 H new ATOM 0 HB1 ALA A 82 9.094 2.081 8.474 1.00 43.03 H new ATOM 0 HB2 ALA A 82 8.604 3.432 7.424 1.00 43.03 H new ATOM 0 HB3 ALA A 82 9.557 2.086 6.755 1.00 43.03 H new ATOM 1205 N SER A 83 12.088 2.386 9.646 1.00 32.10 N ATOM 1206 CA SER A 83 13.122 1.481 10.134 1.00 42.15 C ATOM 1207 C SER A 83 12.503 0.254 10.795 1.00 73.42 C ATOM 1208 O SER A 83 11.701 0.373 11.722 1.00 23.20 O ATOM 1209 CB SER A 83 14.035 2.203 11.127 1.00 53.44 C ATOM 1210 OG SER A 83 13.638 3.553 11.295 1.00 14.33 O ATOM 0 H SER A 83 11.642 2.947 10.372 1.00 32.10 H new ATOM 0 HA SER A 83 13.714 1.152 9.280 1.00 42.15 H new ATOM 0 HB2 SER A 83 14.009 1.691 12.089 1.00 53.44 H new ATOM 0 HB3 SER A 83 15.065 2.165 10.773 1.00 53.44 H new ATOM 0 HG SER A 83 14.236 3.992 11.935 1.00 14.33 H new ATOM 1216 N ILE A 84 12.880 -0.925 10.311 1.00 51.12 N ATOM 1217 CA ILE A 84 12.363 -2.174 10.855 1.00 71.52 C ATOM 1218 C ILE A 84 13.459 -2.958 11.569 1.00 72.32 C ATOM 1219 O ILE A 84 14.642 -2.854 11.245 1.00 22.25 O ATOM 1220 CB ILE A 84 11.751 -3.058 9.752 1.00 72.12 C ATOM 1221 CG1 ILE A 84 12.764 -3.283 8.628 1.00 60.44 C ATOM 1222 CG2 ILE A 84 10.480 -2.422 9.208 1.00 44.04 C ATOM 1223 CD1 ILE A 84 12.370 -4.387 7.672 1.00 61.54 C ATOM 0 H ILE A 84 13.542 -1.041 9.543 1.00 51.12 H new ATOM 0 HA ILE A 84 11.585 -1.908 11.570 1.00 71.52 H new ATOM 0 HB ILE A 84 11.494 -4.026 10.183 1.00 72.12 H new ATOM 0 HG12 ILE A 84 12.886 -2.355 8.069 1.00 60.44 H new ATOM 0 HG13 ILE A 84 13.733 -3.521 9.066 1.00 60.44 H new ATOM 0 HG21 ILE A 84 10.059 -3.058 8.429 1.00 44.04 H new ATOM 0 HG22 ILE A 84 9.756 -2.309 10.015 1.00 44.04 H new ATOM 0 HG23 ILE A 84 10.713 -1.443 8.790 1.00 44.04 H new ATOM 0 HD11 ILE A 84 13.134 -4.491 6.901 1.00 61.54 H new ATOM 0 HD12 ILE A 84 12.276 -5.325 8.219 1.00 61.54 H new ATOM 0 HD13 ILE A 84 11.416 -4.141 7.206 1.00 61.54 H new ATOM 1235 N PRO A 85 13.058 -3.764 12.563 1.00 33.31 N ATOM 1236 CA PRO A 85 13.990 -4.584 13.343 1.00 61.15 C ATOM 1237 C PRO A 85 14.582 -5.726 12.524 1.00 72.33 C ATOM 1238 O PRO A 85 13.874 -6.655 12.133 1.00 24.13 O ATOM 1239 CB PRO A 85 13.118 -5.133 14.475 1.00 64.44 C ATOM 1240 CG PRO A 85 11.734 -5.123 13.926 1.00 54.14 C ATOM 1241 CD PRO A 85 11.663 -3.938 13.003 1.00 40.14 C ATOM 0 HA PRO A 85 14.848 -4.008 13.689 1.00 61.15 H new ATOM 0 HB2 PRO A 85 13.424 -6.140 14.758 1.00 64.44 H new ATOM 0 HB3 PRO A 85 13.194 -4.514 15.369 1.00 64.44 H new ATOM 0 HG2 PRO A 85 11.520 -6.048 13.391 1.00 54.14 H new ATOM 0 HG3 PRO A 85 10.998 -5.040 14.725 1.00 54.14 H new ATOM 0 HD2 PRO A 85 10.996 -4.124 12.161 1.00 40.14 H new ATOM 0 HD3 PRO A 85 11.290 -3.051 13.515 1.00 40.14 H new ATOM 1249 N VAL A 86 15.884 -5.652 12.267 1.00 51.42 N ATOM 1250 CA VAL A 86 16.571 -6.680 11.495 1.00 22.45 C ATOM 1251 C VAL A 86 17.848 -7.132 12.196 1.00 13.22 C ATOM 1252 O VAL A 86 18.803 -6.366 12.324 1.00 13.55 O ATOM 1253 CB VAL A 86 16.924 -6.180 10.082 1.00 71.40 C ATOM 1254 CG1 VAL A 86 17.585 -7.286 9.274 1.00 63.32 C ATOM 1255 CG2 VAL A 86 15.681 -5.663 9.375 1.00 55.42 C ATOM 0 H VAL A 86 16.484 -4.890 12.583 1.00 51.42 H new ATOM 0 HA VAL A 86 15.886 -7.524 11.413 1.00 22.45 H new ATOM 0 HB VAL A 86 17.632 -5.356 10.173 1.00 71.40 H new ATOM 0 HG11 VAL A 86 17.827 -6.914 8.278 1.00 63.32 H new ATOM 0 HG12 VAL A 86 18.499 -7.606 9.774 1.00 63.32 H new ATOM 0 HG13 VAL A 86 16.903 -8.132 9.189 1.00 63.32 H new ATOM 0 HG21 VAL A 86 15.948 -5.314 8.378 1.00 55.42 H new ATOM 0 HG22 VAL A 86 14.948 -6.466 9.294 1.00 55.42 H new ATOM 0 HG23 VAL A 86 15.254 -4.838 9.946 1.00 55.42 H new ATOM 1265 N VAL A 87 17.858 -8.382 12.648 1.00 12.22 N ATOM 1266 CA VAL A 87 19.018 -8.937 13.335 1.00 31.10 C ATOM 1267 C VAL A 87 19.992 -9.568 12.346 1.00 32.24 C ATOM 1268 O VAL A 87 19.595 -10.344 11.476 1.00 11.35 O ATOM 1269 CB VAL A 87 18.602 -9.994 14.375 1.00 73.42 C ATOM 1270 CG1 VAL A 87 19.828 -10.664 14.976 1.00 70.21 C ATOM 1271 CG2 VAL A 87 17.742 -9.364 15.460 1.00 23.23 C ATOM 0 H VAL A 87 17.076 -9.029 12.551 1.00 12.22 H new ATOM 0 HA VAL A 87 19.509 -8.109 13.846 1.00 31.10 H new ATOM 0 HB VAL A 87 18.010 -10.759 13.873 1.00 73.42 H new ATOM 0 HG11 VAL A 87 19.514 -11.408 15.708 1.00 70.21 H new ATOM 0 HG12 VAL A 87 20.400 -11.151 14.186 1.00 70.21 H new ATOM 0 HG13 VAL A 87 20.450 -9.914 15.464 1.00 70.21 H new ATOM 0 HG21 VAL A 87 17.457 -10.125 16.186 1.00 23.23 H new ATOM 0 HG22 VAL A 87 18.307 -8.578 15.961 1.00 23.23 H new ATOM 0 HG23 VAL A 87 16.845 -8.937 15.011 1.00 23.23 H new ATOM 1281 N PHE A 88 21.270 -9.231 12.486 1.00 33.11 N ATOM 1282 CA PHE A 88 22.302 -9.764 11.605 1.00 72.52 C ATOM 1283 C PHE A 88 23.284 -10.636 12.382 1.00 35.32 C ATOM 1284 O PHE A 88 23.596 -10.357 13.540 1.00 70.53 O ATOM 1285 CB PHE A 88 23.052 -8.624 10.914 1.00 52.31 C ATOM 1286 CG PHE A 88 24.535 -8.846 10.830 1.00 51.33 C ATOM 1287 CD1 PHE A 88 25.373 -8.411 11.844 1.00 35.12 C ATOM 1288 CD2 PHE A 88 25.091 -9.489 9.736 1.00 44.43 C ATOM 1289 CE1 PHE A 88 26.738 -8.614 11.770 1.00 32.20 C ATOM 1290 CE2 PHE A 88 26.456 -9.695 9.656 1.00 13.13 C ATOM 1291 CZ PHE A 88 27.280 -9.256 10.674 1.00 60.00 C ATOM 0 H PHE A 88 21.615 -8.591 13.201 1.00 33.11 H new ATOM 0 HA PHE A 88 21.815 -10.380 10.849 1.00 72.52 H new ATOM 0 HB2 PHE A 88 22.654 -8.496 9.907 1.00 52.31 H new ATOM 0 HB3 PHE A 88 22.862 -7.696 11.452 1.00 52.31 H new ATOM 0 HD1 PHE A 88 24.954 -7.907 12.703 1.00 35.12 H new ATOM 0 HD2 PHE A 88 24.451 -9.833 8.937 1.00 44.43 H new ATOM 0 HE1 PHE A 88 27.380 -8.271 12.568 1.00 32.20 H new ATOM 0 HE2 PHE A 88 26.877 -10.199 8.799 1.00 13.13 H new ATOM 0 HZ PHE A 88 28.347 -9.415 10.613 1.00 60.00 H new ATOM 1301 N SER A 89 23.766 -11.694 11.737 1.00 11.41 N ATOM 1302 CA SER A 89 24.709 -12.610 12.368 1.00 13.43 C ATOM 1303 C SER A 89 26.035 -12.628 11.615 1.00 62.31 C ATOM 1304 O SER A 89 26.071 -12.466 10.395 1.00 2.41 O ATOM 1305 CB SER A 89 24.121 -14.021 12.424 1.00 22.14 C ATOM 1306 OG SER A 89 23.502 -14.266 13.675 1.00 34.31 O ATOM 0 H SER A 89 23.519 -11.938 10.778 1.00 11.41 H new ATOM 0 HA SER A 89 24.893 -12.261 13.384 1.00 13.43 H new ATOM 0 HB2 SER A 89 23.392 -14.147 11.623 1.00 22.14 H new ATOM 0 HB3 SER A 89 24.910 -14.754 12.255 1.00 22.14 H new ATOM 0 HG SER A 89 24.087 -13.954 14.396 1.00 34.31 H new ATOM 1312 N ARG A 90 27.124 -12.828 12.351 1.00 53.21 N ATOM 1313 CA ARG A 90 28.453 -12.867 11.754 1.00 42.42 C ATOM 1314 C ARG A 90 29.191 -14.141 12.153 1.00 63.12 C ATOM 1315 O ARG A 90 30.114 -14.107 12.967 1.00 1.21 O ATOM 1316 CB ARG A 90 29.263 -11.641 12.180 1.00 10.20 C ATOM 1317 CG ARG A 90 30.343 -11.249 11.186 1.00 44.35 C ATOM 1318 CD ARG A 90 31.731 -11.590 11.707 1.00 53.42 C ATOM 1319 NE ARG A 90 32.470 -10.398 12.114 1.00 24.02 N ATOM 1320 CZ ARG A 90 33.022 -9.547 11.257 1.00 44.22 C ATOM 1321 NH1 ARG A 90 32.918 -9.754 9.951 1.00 22.54 N ATOM 1322 NH2 ARG A 90 33.680 -8.485 11.705 1.00 52.24 N ATOM 0 H ARG A 90 27.111 -12.965 13.362 1.00 53.21 H new ATOM 0 HA ARG A 90 28.337 -12.859 10.670 1.00 42.42 H new ATOM 0 HB2 ARG A 90 28.585 -10.799 12.318 1.00 10.20 H new ATOM 0 HB3 ARG A 90 29.726 -11.840 13.147 1.00 10.20 H new ATOM 0 HG2 ARG A 90 30.172 -11.763 10.240 1.00 44.35 H new ATOM 0 HG3 ARG A 90 30.282 -10.180 10.984 1.00 44.35 H new ATOM 0 HD2 ARG A 90 31.643 -12.269 12.555 1.00 53.42 H new ATOM 0 HD3 ARG A 90 32.290 -12.116 10.933 1.00 53.42 H new ATOM 0 HE ARG A 90 32.568 -10.209 13.112 1.00 24.02 H new ATOM 0 HH11 ARG A 90 32.413 -10.569 9.602 1.00 22.54 H new ATOM 0 HH12 ARG A 90 33.343 -9.098 9.295 1.00 22.54 H new ATOM 0 HH21 ARG A 90 33.762 -8.322 12.709 1.00 52.24 H new ATOM 0 HH22 ARG A 90 34.104 -7.832 11.046 1.00 52.24 H new ATOM 1336 N ASP A 91 28.778 -15.263 11.575 1.00 63.45 N ATOM 1337 CA ASP A 91 29.400 -16.549 11.869 1.00 23.10 C ATOM 1338 C ASP A 91 29.161 -16.948 13.322 1.00 64.21 C ATOM 1339 O ASP A 91 30.085 -17.358 14.024 1.00 41.42 O ATOM 1340 CB ASP A 91 30.902 -16.491 11.584 1.00 52.35 C ATOM 1341 CG ASP A 91 31.233 -15.593 10.407 1.00 30.34 C ATOM 1342 OD1 ASP A 91 30.881 -15.957 9.266 1.00 34.32 O ATOM 1343 OD2 ASP A 91 31.845 -14.527 10.628 1.00 24.20 O ATOM 0 H ASP A 91 28.015 -15.308 10.900 1.00 63.45 H new ATOM 0 HA ASP A 91 28.945 -17.301 11.224 1.00 23.10 H new ATOM 0 HB2 ASP A 91 31.424 -16.130 12.471 1.00 52.35 H new ATOM 0 HB3 ASP A 91 31.270 -17.497 11.385 1.00 52.35 H new ATOM 1348 N GLY A 92 27.914 -16.825 13.767 1.00 5.30 N ATOM 1349 CA GLY A 92 27.577 -17.175 15.134 1.00 32.32 C ATOM 1350 C GLY A 92 27.460 -15.960 16.032 1.00 2.15 C ATOM 1351 O GLY A 92 26.984 -16.058 17.164 1.00 63.24 O ATOM 0 H GLY A 92 27.132 -16.489 13.205 1.00 5.30 H new ATOM 0 HA2 GLY A 92 26.634 -17.722 15.144 1.00 32.32 H new ATOM 0 HA3 GLY A 92 28.339 -17.845 15.532 1.00 32.32 H new ATOM 1355 N VAL A 93 27.897 -14.810 15.529 1.00 3.22 N ATOM 1356 CA VAL A 93 27.840 -13.570 16.294 1.00 4.11 C ATOM 1357 C VAL A 93 26.416 -13.030 16.360 1.00 2.12 C ATOM 1358 O VAL A 93 25.648 -13.155 15.406 1.00 3.01 O ATOM 1359 CB VAL A 93 28.758 -12.493 15.686 1.00 4.23 C ATOM 1360 CG1 VAL A 93 28.657 -11.197 16.476 1.00 53.32 C ATOM 1361 CG2 VAL A 93 30.197 -12.985 15.637 1.00 31.32 C ATOM 0 H VAL A 93 28.294 -14.711 14.595 1.00 3.22 H new ATOM 0 HA VAL A 93 28.184 -13.804 17.302 1.00 4.11 H new ATOM 0 HB VAL A 93 28.430 -12.296 14.665 1.00 4.23 H new ATOM 0 HG11 VAL A 93 29.312 -10.448 16.032 1.00 53.32 H new ATOM 0 HG12 VAL A 93 27.628 -10.837 16.455 1.00 53.32 H new ATOM 0 HG13 VAL A 93 28.958 -11.376 17.508 1.00 53.32 H new ATOM 0 HG21 VAL A 93 30.832 -12.211 15.205 1.00 31.32 H new ATOM 0 HG22 VAL A 93 30.539 -13.212 16.647 1.00 31.32 H new ATOM 0 HG23 VAL A 93 30.253 -13.885 15.024 1.00 31.32 H new ATOM 1371 N VAL A 94 26.069 -12.428 17.494 1.00 44.15 N ATOM 1372 CA VAL A 94 24.737 -11.867 17.684 1.00 4.54 C ATOM 1373 C VAL A 94 24.791 -10.347 17.789 1.00 44.50 C ATOM 1374 O VAL A 94 25.339 -9.799 18.746 1.00 61.34 O ATOM 1375 CB VAL A 94 24.065 -12.434 18.949 1.00 43.41 C ATOM 1376 CG1 VAL A 94 22.700 -11.796 19.160 1.00 62.53 C ATOM 1377 CG2 VAL A 94 23.948 -13.947 18.856 1.00 73.40 C ATOM 0 H VAL A 94 26.692 -12.317 18.294 1.00 44.15 H new ATOM 0 HA VAL A 94 24.148 -12.148 16.811 1.00 4.54 H new ATOM 0 HB VAL A 94 24.688 -12.193 19.810 1.00 43.41 H new ATOM 0 HG11 VAL A 94 22.240 -12.209 20.058 1.00 62.53 H new ATOM 0 HG12 VAL A 94 22.816 -10.718 19.274 1.00 62.53 H new ATOM 0 HG13 VAL A 94 22.064 -12.003 18.299 1.00 62.53 H new ATOM 0 HG21 VAL A 94 23.471 -14.331 19.758 1.00 73.40 H new ATOM 0 HG22 VAL A 94 23.347 -14.213 17.986 1.00 73.40 H new ATOM 0 HG23 VAL A 94 24.942 -14.383 18.757 1.00 73.40 H new ATOM 1387 N MET A 95 24.219 -9.670 16.799 1.00 71.14 N ATOM 1388 CA MET A 95 24.200 -8.212 16.780 1.00 4.03 C ATOM 1389 C MET A 95 22.840 -7.691 16.329 1.00 73.24 C ATOM 1390 O MET A 95 22.054 -8.422 15.726 1.00 71.03 O ATOM 1391 CB MET A 95 25.296 -7.678 15.856 1.00 63.32 C ATOM 1392 CG MET A 95 26.634 -8.378 16.032 1.00 22.11 C ATOM 1393 SD MET A 95 28.032 -7.320 15.613 1.00 43.41 S ATOM 1394 CE MET A 95 28.384 -6.577 17.204 1.00 20.04 C ATOM 0 H MET A 95 23.762 -10.108 15.999 1.00 71.14 H new ATOM 0 HA MET A 95 24.386 -7.859 17.794 1.00 4.03 H new ATOM 0 HB2 MET A 95 24.972 -7.786 14.821 1.00 63.32 H new ATOM 0 HB3 MET A 95 25.426 -6.611 16.039 1.00 63.32 H new ATOM 0 HG2 MET A 95 26.732 -8.711 17.065 1.00 22.11 H new ATOM 0 HG3 MET A 95 26.658 -9.270 15.406 1.00 22.11 H new ATOM 0 HE1 MET A 95 29.228 -5.894 17.108 1.00 20.04 H new ATOM 0 HE2 MET A 95 27.509 -6.026 17.550 1.00 20.04 H new ATOM 0 HE3 MET A 95 28.629 -7.358 17.924 1.00 20.04 H new ATOM 1404 N SER A 96 22.568 -6.424 16.624 1.00 30.14 N ATOM 1405 CA SER A 96 21.300 -5.807 16.252 1.00 22.21 C ATOM 1406 C SER A 96 21.531 -4.560 15.404 1.00 63.32 C ATOM 1407 O SER A 96 22.330 -3.694 15.758 1.00 24.44 O ATOM 1408 CB SER A 96 20.498 -5.445 17.504 1.00 61.05 C ATOM 1409 OG SER A 96 19.858 -6.587 18.047 1.00 2.52 O ATOM 0 H SER A 96 23.209 -5.804 17.120 1.00 30.14 H new ATOM 0 HA SER A 96 20.733 -6.527 15.662 1.00 22.21 H new ATOM 0 HB2 SER A 96 21.161 -5.006 18.250 1.00 61.05 H new ATOM 0 HB3 SER A 96 19.752 -4.690 17.256 1.00 61.05 H new ATOM 0 HG SER A 96 19.354 -6.330 18.847 1.00 2.52 H new ATOM 1415 N ALA A 97 20.825 -4.477 14.281 1.00 62.21 N ATOM 1416 CA ALA A 97 20.951 -3.336 13.382 1.00 31.53 C ATOM 1417 C ALA A 97 19.598 -2.949 12.795 1.00 1.40 C ATOM 1418 O ALA A 97 18.787 -3.810 12.453 1.00 22.22 O ATOM 1419 CB ALA A 97 21.942 -3.647 12.270 1.00 34.41 C ATOM 0 H ALA A 97 20.160 -5.186 13.972 1.00 62.21 H new ATOM 0 HA ALA A 97 21.323 -2.489 13.959 1.00 31.53 H new ATOM 0 HB1 ALA A 97 22.026 -2.786 11.606 1.00 34.41 H new ATOM 0 HB2 ALA A 97 22.918 -3.868 12.703 1.00 34.41 H new ATOM 0 HB3 ALA A 97 21.593 -4.510 11.703 1.00 34.41 H new ATOM 1425 N THR A 98 19.359 -1.646 12.681 1.00 42.33 N ATOM 1426 CA THR A 98 18.104 -1.144 12.137 1.00 51.33 C ATOM 1427 C THR A 98 18.266 -0.719 10.682 1.00 71.14 C ATOM 1428 O THR A 98 19.130 0.095 10.356 1.00 65.15 O ATOM 1429 CB THR A 98 17.576 0.051 12.953 1.00 40.54 C ATOM 1430 OG1 THR A 98 17.740 -0.201 14.353 1.00 54.34 O ATOM 1431 CG2 THR A 98 16.108 0.310 12.647 1.00 64.43 C ATOM 0 H THR A 98 20.019 -0.919 12.958 1.00 42.33 H new ATOM 0 HA THR A 98 17.385 -1.961 12.196 1.00 51.33 H new ATOM 0 HB THR A 98 18.150 0.935 12.674 1.00 40.54 H new ATOM 0 HG1 THR A 98 17.404 0.564 14.865 1.00 54.34 H new ATOM 0 HG21 THR A 98 15.758 1.158 13.235 1.00 64.43 H new ATOM 0 HG22 THR A 98 15.991 0.531 11.586 1.00 64.43 H new ATOM 0 HG23 THR A 98 15.522 -0.574 12.900 1.00 64.43 H new ATOM 1439 N ILE A 99 17.429 -1.274 9.811 1.00 24.54 N ATOM 1440 CA ILE A 99 17.480 -0.951 8.391 1.00 33.00 C ATOM 1441 C ILE A 99 16.528 0.192 8.053 1.00 21.34 C ATOM 1442 O ILE A 99 15.308 0.035 8.109 1.00 42.14 O ATOM 1443 CB ILE A 99 17.125 -2.173 7.523 1.00 44.34 C ATOM 1444 CG1 ILE A 99 17.933 -3.394 7.968 1.00 15.22 C ATOM 1445 CG2 ILE A 99 17.380 -1.870 6.054 1.00 41.14 C ATOM 1446 CD1 ILE A 99 17.689 -4.622 7.119 1.00 41.30 C ATOM 0 H ILE A 99 16.708 -1.949 10.064 1.00 24.54 H new ATOM 0 HA ILE A 99 18.503 -0.645 8.173 1.00 33.00 H new ATOM 0 HB ILE A 99 16.066 -2.396 7.650 1.00 44.34 H new ATOM 0 HG12 ILE A 99 18.994 -3.147 7.939 1.00 15.22 H new ATOM 0 HG13 ILE A 99 17.687 -3.624 9.005 1.00 15.22 H new ATOM 0 HG21 ILE A 99 17.125 -2.743 5.453 1.00 41.14 H new ATOM 0 HG22 ILE A 99 16.766 -1.024 5.745 1.00 41.14 H new ATOM 0 HG23 ILE A 99 18.433 -1.626 5.910 1.00 41.14 H new ATOM 0 HD11 ILE A 99 18.294 -5.448 7.492 1.00 41.30 H new ATOM 0 HD12 ILE A 99 16.635 -4.894 7.167 1.00 41.30 H new ATOM 0 HD13 ILE A 99 17.962 -4.410 6.085 1.00 41.30 H new ATOM 1458 N VAL A 100 17.094 1.342 7.702 1.00 63.22 N ATOM 1459 CA VAL A 100 16.297 2.511 7.352 1.00 52.12 C ATOM 1460 C VAL A 100 16.105 2.614 5.843 1.00 71.21 C ATOM 1461 O VAL A 100 16.945 3.170 5.136 1.00 41.23 O ATOM 1462 CB VAL A 100 16.948 3.809 7.865 1.00 64.01 C ATOM 1463 CG1 VAL A 100 16.779 3.932 9.372 1.00 50.25 C ATOM 1464 CG2 VAL A 100 18.419 3.854 7.480 1.00 4.40 C ATOM 0 H VAL A 100 18.102 1.489 7.653 1.00 63.22 H new ATOM 0 HA VAL A 100 15.326 2.386 7.831 1.00 52.12 H new ATOM 0 HB VAL A 100 16.447 4.656 7.397 1.00 64.01 H new ATOM 0 HG11 VAL A 100 17.245 4.855 9.716 1.00 50.25 H new ATOM 0 HG12 VAL A 100 15.717 3.948 9.619 1.00 50.25 H new ATOM 0 HG13 VAL A 100 17.253 3.081 9.862 1.00 50.25 H new ATOM 0 HG21 VAL A 100 18.864 4.778 7.850 1.00 4.40 H new ATOM 0 HG22 VAL A 100 18.936 3.001 7.919 1.00 4.40 H new ATOM 0 HG23 VAL A 100 18.512 3.816 6.395 1.00 4.40 H new ATOM 1474 N VAL A 101 14.993 2.074 5.355 1.00 35.41 N ATOM 1475 CA VAL A 101 14.689 2.106 3.930 1.00 75.45 C ATOM 1476 C VAL A 101 13.823 3.310 3.579 1.00 14.42 C ATOM 1477 O VAL A 101 12.657 3.384 3.965 1.00 32.44 O ATOM 1478 CB VAL A 101 13.967 0.821 3.481 1.00 63.25 C ATOM 1479 CG1 VAL A 101 13.602 0.901 2.006 1.00 31.12 C ATOM 1480 CG2 VAL A 101 14.831 -0.400 3.759 1.00 45.24 C ATOM 0 H VAL A 101 14.287 1.609 5.926 1.00 35.41 H new ATOM 0 HA VAL A 101 15.642 2.182 3.406 1.00 75.45 H new ATOM 0 HB VAL A 101 13.045 0.724 4.054 1.00 63.25 H new ATOM 0 HG11 VAL A 101 13.093 -0.015 1.707 1.00 31.12 H new ATOM 0 HG12 VAL A 101 12.943 1.753 1.840 1.00 31.12 H new ATOM 0 HG13 VAL A 101 14.508 1.023 1.413 1.00 31.12 H new ATOM 0 HG21 VAL A 101 14.306 -1.299 3.436 1.00 45.24 H new ATOM 0 HG22 VAL A 101 15.771 -0.313 3.213 1.00 45.24 H new ATOM 0 HG23 VAL A 101 15.037 -0.465 4.827 1.00 45.24 H new ATOM 1490 N GLY A 102 14.401 4.255 2.844 1.00 65.24 N ATOM 1491 CA GLY A 102 13.668 5.444 2.453 1.00 50.43 C ATOM 1492 C GLY A 102 13.670 5.660 0.952 1.00 31.22 C ATOM 1493 O GLY A 102 14.718 5.903 0.356 1.00 62.24 O ATOM 0 H GLY A 102 15.365 4.218 2.512 1.00 65.24 H new ATOM 0 HA2 GLY A 102 12.639 5.364 2.804 1.00 50.43 H new ATOM 0 HA3 GLY A 102 14.105 6.314 2.943 1.00 50.43 H new