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 63:sc= 1.59 USER MOD Set 1.2: A 32 TYR OH : rot 120:sc= 0.797 USER MOD Single : A 17 SER OG : rot 102:sc= 0.739 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -124:sc= 0.0575 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00915 USER MOD Single : A 24 SER OG : rot 27:sc= 0.867 USER MOD Single : A 26 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.0014) USER MOD Single : A 30 GLN : amide:sc= -3.73 X(o=-3.7,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.848 K(o=-0.85,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.07 K(o=-2.1,f=-8.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.768 USER MOD Single : A 63 THR OG1 : rot 74:sc= 0.351 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.0242 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 77 HIS : no HD1:sc= -2.61! X(o=-2.6!,f=-2.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 89 SER OG : rot -74:sc= 1.21 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00773 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N LEU A 7 14.676 -11.512 -7.126 1.00 55.41 N ATOM 108 CA LEU A 7 15.876 -11.806 -6.351 1.00 42.45 C ATOM 109 C LEU A 7 17.126 -11.686 -7.218 1.00 0.23 C ATOM 110 O LEU A 7 17.254 -12.362 -8.238 1.00 11.43 O ATOM 111 CB LEU A 7 15.790 -13.211 -5.753 1.00 15.42 C ATOM 112 CG LEU A 7 15.496 -14.343 -6.738 1.00 1.23 C ATOM 113 CD1 LEU A 7 16.350 -15.561 -6.421 1.00 0.32 C ATOM 114 CD2 LEU A 7 14.018 -14.704 -6.710 1.00 40.23 C ATOM 0 HA LEU A 7 15.944 -11.078 -5.543 1.00 42.45 H new ATOM 0 HB2 LEU A 7 16.733 -13.429 -5.251 1.00 15.42 H new ATOM 0 HB3 LEU A 7 15.014 -13.212 -4.988 1.00 15.42 H new ATOM 0 HG LEU A 7 15.747 -14.000 -7.742 1.00 1.23 H new ATOM 0 HD11 LEU A 7 16.127 -16.357 -7.132 1.00 0.32 H new ATOM 0 HD12 LEU A 7 17.405 -15.295 -6.493 1.00 0.32 H new ATOM 0 HD13 LEU A 7 16.131 -15.906 -5.410 1.00 0.32 H new ATOM 0 HD21 LEU A 7 13.827 -15.511 -7.417 1.00 40.23 H new ATOM 0 HD22 LEU A 7 13.741 -15.028 -5.707 1.00 40.23 H new ATOM 0 HD23 LEU A 7 13.425 -13.832 -6.986 1.00 40.23 H new ATOM 126 N GLY A 8 18.047 -10.822 -6.802 1.00 44.33 N ATOM 127 CA GLY A 8 19.276 -10.631 -7.550 1.00 41.35 C ATOM 128 C GLY A 8 20.512 -10.897 -6.714 1.00 33.12 C ATOM 129 O GLY A 8 21.609 -10.455 -7.055 1.00 52.32 O ATOM 0 H GLY A 8 17.964 -10.251 -5.961 1.00 44.33 H new ATOM 0 HA2 GLY A 8 19.277 -11.294 -8.416 1.00 41.35 H new ATOM 0 HA3 GLY A 8 19.311 -9.610 -7.930 1.00 41.35 H new ATOM 133 N PHE A 9 20.335 -11.621 -5.613 1.00 54.15 N ATOM 134 CA PHE A 9 21.444 -11.943 -4.724 1.00 30.34 C ATOM 135 C PHE A 9 21.629 -13.454 -4.610 1.00 15.33 C ATOM 136 O PHE A 9 20.961 -14.225 -5.299 1.00 33.04 O ATOM 137 CB PHE A 9 21.205 -11.341 -3.337 1.00 62.34 C ATOM 138 CG PHE A 9 19.942 -11.825 -2.683 1.00 43.54 C ATOM 139 CD1 PHE A 9 18.714 -11.290 -3.039 1.00 23.21 C ATOM 140 CD2 PHE A 9 19.983 -12.813 -1.714 1.00 21.32 C ATOM 141 CE1 PHE A 9 17.551 -11.733 -2.438 1.00 51.40 C ATOM 142 CE2 PHE A 9 18.823 -13.260 -1.110 1.00 31.13 C ATOM 143 CZ PHE A 9 17.605 -12.720 -1.473 1.00 41.52 C ATOM 0 H PHE A 9 19.434 -11.995 -5.316 1.00 54.15 H new ATOM 0 HA PHE A 9 22.352 -11.514 -5.147 1.00 30.34 H new ATOM 0 HB2 PHE A 9 22.052 -11.581 -2.695 1.00 62.34 H new ATOM 0 HB3 PHE A 9 21.167 -10.255 -3.423 1.00 62.34 H new ATOM 0 HD1 PHE A 9 18.665 -10.519 -3.794 1.00 23.21 H new ATOM 0 HD2 PHE A 9 20.933 -13.239 -1.427 1.00 21.32 H new ATOM 0 HE1 PHE A 9 16.600 -11.308 -2.723 1.00 51.40 H new ATOM 0 HE2 PHE A 9 18.869 -14.031 -0.355 1.00 31.13 H new ATOM 0 HZ PHE A 9 16.697 -13.068 -1.004 1.00 41.52 H new ATOM 153 N ARG A 10 22.540 -13.868 -3.736 1.00 32.14 N ATOM 154 CA ARG A 10 22.814 -15.285 -3.532 1.00 63.41 C ATOM 155 C ARG A 10 22.407 -15.722 -2.128 1.00 2.22 C ATOM 156 O ARG A 10 22.591 -14.984 -1.159 1.00 61.43 O ATOM 157 CB ARG A 10 24.299 -15.577 -3.758 1.00 50.20 C ATOM 158 CG ARG A 10 24.776 -15.255 -5.165 1.00 14.11 C ATOM 159 CD ARG A 10 26.050 -16.010 -5.508 1.00 20.42 C ATOM 160 NE ARG A 10 25.931 -16.741 -6.767 1.00 4.11 N ATOM 161 CZ ARG A 10 26.824 -17.630 -7.188 1.00 30.14 C ATOM 162 NH1 ARG A 10 27.895 -17.898 -6.453 1.00 52.11 N ATOM 163 NH2 ARG A 10 26.646 -18.254 -8.345 1.00 60.10 N ATOM 0 H ARG A 10 23.101 -13.242 -3.158 1.00 32.14 H new ATOM 0 HA ARG A 10 22.225 -15.850 -4.254 1.00 63.41 H new ATOM 0 HB2 ARG A 10 24.887 -15.001 -3.043 1.00 50.20 H new ATOM 0 HB3 ARG A 10 24.489 -16.630 -3.551 1.00 50.20 H new ATOM 0 HG2 ARG A 10 23.996 -15.511 -5.882 1.00 14.11 H new ATOM 0 HG3 ARG A 10 24.952 -14.183 -5.254 1.00 14.11 H new ATOM 0 HD2 ARG A 10 26.881 -15.308 -5.574 1.00 20.42 H new ATOM 0 HD3 ARG A 10 26.285 -16.708 -4.704 1.00 20.42 H new ATOM 0 HE ARG A 10 25.118 -16.559 -7.355 1.00 4.11 H new ATOM 0 HH11 ARG A 10 28.035 -17.421 -5.562 1.00 52.11 H new ATOM 0 HH12 ARG A 10 28.579 -18.581 -6.779 1.00 52.11 H new ATOM 0 HH21 ARG A 10 25.823 -18.051 -8.912 1.00 60.10 H new ATOM 0 HH22 ARG A 10 27.332 -18.936 -8.667 1.00 60.10 H new ATOM 177 N VAL A 11 21.853 -16.926 -2.025 1.00 54.41 N ATOM 178 CA VAL A 11 21.420 -17.461 -0.740 1.00 11.22 C ATOM 179 C VAL A 11 22.023 -18.838 -0.487 1.00 75.21 C ATOM 180 O VAL A 11 21.812 -19.771 -1.262 1.00 15.23 O ATOM 181 CB VAL A 11 19.885 -17.562 -0.662 1.00 71.01 C ATOM 182 CG1 VAL A 11 19.344 -18.376 -1.828 1.00 14.43 C ATOM 183 CG2 VAL A 11 19.458 -18.169 0.666 1.00 50.30 C ATOM 0 H VAL A 11 21.694 -17.549 -2.816 1.00 54.41 H new ATOM 0 HA VAL A 11 21.770 -16.768 0.025 1.00 11.22 H new ATOM 0 HB VAL A 11 19.468 -16.557 -0.727 1.00 71.01 H new ATOM 0 HG11 VAL A 11 18.258 -18.437 -1.756 1.00 14.43 H new ATOM 0 HG12 VAL A 11 19.619 -17.895 -2.766 1.00 14.43 H new ATOM 0 HG13 VAL A 11 19.766 -19.380 -1.798 1.00 14.43 H new ATOM 0 HG21 VAL A 11 18.371 -18.233 0.704 1.00 50.30 H new ATOM 0 HG22 VAL A 11 19.884 -19.168 0.763 1.00 50.30 H new ATOM 0 HG23 VAL A 11 19.813 -17.542 1.484 1.00 50.30 H new ATOM 193 N ALA A 12 22.774 -18.959 0.603 1.00 55.53 N ATOM 194 CA ALA A 12 23.405 -20.223 0.959 1.00 1.25 C ATOM 195 C ALA A 12 23.008 -20.657 2.366 1.00 32.31 C ATOM 196 O ALA A 12 23.234 -19.935 3.337 1.00 54.20 O ATOM 197 CB ALA A 12 24.918 -20.107 0.848 1.00 1.24 C ATOM 0 H ALA A 12 22.960 -18.197 1.255 1.00 55.53 H new ATOM 0 HA ALA A 12 23.058 -20.984 0.260 1.00 1.25 H new ATOM 0 HB1 ALA A 12 25.377 -21.059 1.117 1.00 1.24 H new ATOM 0 HB2 ALA A 12 25.189 -19.850 -0.176 1.00 1.24 H new ATOM 0 HB3 ALA A 12 25.274 -19.329 1.524 1.00 1.24 H new ATOM 203 N VAL A 13 22.414 -21.842 2.469 1.00 31.10 N ATOM 204 CA VAL A 13 21.985 -22.373 3.758 1.00 63.15 C ATOM 205 C VAL A 13 23.083 -23.215 4.398 1.00 61.24 C ATOM 206 O VAL A 13 23.635 -24.117 3.768 1.00 11.04 O ATOM 207 CB VAL A 13 20.713 -23.230 3.616 1.00 11.44 C ATOM 208 CG1 VAL A 13 20.964 -24.410 2.691 1.00 73.31 C ATOM 209 CG2 VAL A 13 20.236 -23.703 4.981 1.00 31.20 C ATOM 0 H VAL A 13 22.219 -22.452 1.675 1.00 31.10 H new ATOM 0 HA VAL A 13 21.768 -21.517 4.397 1.00 63.15 H new ATOM 0 HB VAL A 13 19.928 -22.615 3.175 1.00 11.44 H new ATOM 0 HG11 VAL A 13 20.054 -25.004 2.603 1.00 73.31 H new ATOM 0 HG12 VAL A 13 21.255 -24.045 1.706 1.00 73.31 H new ATOM 0 HG13 VAL A 13 21.763 -25.029 3.099 1.00 73.31 H new ATOM 0 HG21 VAL A 13 19.336 -24.307 4.863 1.00 31.20 H new ATOM 0 HG22 VAL A 13 21.016 -24.302 5.452 1.00 31.20 H new ATOM 0 HG23 VAL A 13 20.013 -22.840 5.608 1.00 31.20 H new ATOM 219 N GLY A 14 23.395 -22.914 5.655 1.00 64.54 N ATOM 220 CA GLY A 14 24.426 -23.653 6.360 1.00 62.30 C ATOM 221 C GLY A 14 24.325 -23.497 7.864 1.00 4.43 C ATOM 222 O GLY A 14 23.242 -23.262 8.399 1.00 12.04 O ATOM 0 H GLY A 14 22.952 -22.172 6.197 1.00 64.54 H new ATOM 0 HA2 GLY A 14 24.353 -24.709 6.102 1.00 62.30 H new ATOM 0 HA3 GLY A 14 25.406 -23.311 6.027 1.00 62.30 H new ATOM 226 N ARG A 15 25.457 -23.628 8.548 1.00 22.15 N ATOM 227 CA ARG A 15 25.491 -23.502 10.001 1.00 61.44 C ATOM 228 C ARG A 15 26.625 -22.581 10.440 1.00 21.02 C ATOM 229 O ARG A 15 27.697 -22.568 9.835 1.00 3.53 O ATOM 230 CB ARG A 15 25.657 -24.878 10.649 1.00 32.01 C ATOM 231 CG ARG A 15 24.637 -25.901 10.176 1.00 63.32 C ATOM 232 CD ARG A 15 23.735 -26.356 11.313 1.00 41.45 C ATOM 233 NE ARG A 15 22.946 -27.529 10.949 1.00 74.20 N ATOM 234 CZ ARG A 15 22.320 -28.297 11.834 1.00 11.02 C ATOM 235 NH1 ARG A 15 22.391 -28.016 13.128 1.00 50.01 N ATOM 236 NH2 ARG A 15 21.621 -29.348 11.426 1.00 73.14 N ATOM 0 H ARG A 15 26.362 -23.821 8.120 1.00 22.15 H new ATOM 0 HA ARG A 15 24.546 -23.066 10.326 1.00 61.44 H new ATOM 0 HB2 ARG A 15 26.659 -25.252 10.437 1.00 32.01 H new ATOM 0 HB3 ARG A 15 25.578 -24.773 11.731 1.00 32.01 H new ATOM 0 HG2 ARG A 15 24.031 -25.470 9.379 1.00 63.32 H new ATOM 0 HG3 ARG A 15 25.154 -26.763 9.753 1.00 63.32 H new ATOM 0 HD2 ARG A 15 24.343 -26.585 12.188 1.00 41.45 H new ATOM 0 HD3 ARG A 15 23.066 -25.542 11.593 1.00 41.45 H new ATOM 0 HE ARG A 15 22.871 -27.772 9.961 1.00 74.20 H new ATOM 0 HH11 ARG A 15 22.927 -27.209 13.446 1.00 50.01 H new ATOM 0 HH12 ARG A 15 21.909 -28.607 13.805 1.00 50.01 H new ATOM 0 HH21 ARG A 15 21.564 -29.567 10.432 1.00 73.14 H new ATOM 0 HH22 ARG A 15 21.141 -29.937 12.107 1.00 73.14 H new ATOM 250 N ASP A 16 26.380 -21.812 11.496 1.00 64.53 N ATOM 251 CA ASP A 16 27.381 -20.888 12.017 1.00 33.30 C ATOM 252 C ASP A 16 28.100 -21.489 13.221 1.00 42.52 C ATOM 253 O ASP A 16 27.856 -22.636 13.594 1.00 52.21 O ATOM 254 CB ASP A 16 26.726 -19.562 12.407 1.00 25.04 C ATOM 255 CG ASP A 16 25.413 -19.758 13.139 1.00 1.30 C ATOM 256 OD1 ASP A 16 24.424 -20.153 12.487 1.00 43.41 O ATOM 257 OD2 ASP A 16 25.374 -19.515 14.364 1.00 52.13 O ATOM 0 H ASP A 16 25.498 -21.810 12.007 1.00 64.53 H new ATOM 0 HA ASP A 16 28.115 -20.705 11.233 1.00 33.30 H new ATOM 0 HB2 ASP A 16 27.409 -18.994 13.039 1.00 25.04 H new ATOM 0 HB3 ASP A 16 26.553 -18.968 11.510 1.00 25.04 H new ATOM 262 N SER A 17 28.989 -20.705 13.824 1.00 61.44 N ATOM 263 CA SER A 17 29.748 -21.161 14.982 1.00 20.33 C ATOM 264 C SER A 17 28.815 -21.532 16.131 1.00 21.40 C ATOM 265 O SER A 17 29.153 -22.361 16.977 1.00 51.52 O ATOM 266 CB SER A 17 30.728 -20.077 15.436 1.00 75.03 C ATOM 267 OG SER A 17 31.502 -19.602 14.348 1.00 54.20 O ATOM 0 H SER A 17 29.201 -19.752 13.529 1.00 61.44 H new ATOM 0 HA SER A 17 30.309 -22.049 14.691 1.00 20.33 H new ATOM 0 HB2 SER A 17 30.178 -19.249 15.884 1.00 75.03 H new ATOM 0 HB3 SER A 17 31.386 -20.477 16.207 1.00 75.03 H new ATOM 0 HG SER A 17 31.151 -18.737 14.050 1.00 54.20 H new ATOM 273 N SER A 18 27.639 -20.913 16.154 1.00 43.11 N ATOM 274 CA SER A 18 26.658 -21.174 17.200 1.00 32.22 C ATOM 275 C SER A 18 25.745 -22.334 16.812 1.00 44.31 C ATOM 276 O SER A 18 25.498 -23.238 17.609 1.00 50.41 O ATOM 277 CB SER A 18 25.822 -19.921 17.470 1.00 65.24 C ATOM 278 OG SER A 18 25.055 -20.064 18.652 1.00 23.35 O ATOM 0 H SER A 18 27.343 -20.227 15.460 1.00 43.11 H new ATOM 0 HA SER A 18 27.196 -21.446 18.108 1.00 32.22 H new ATOM 0 HB2 SER A 18 26.478 -19.055 17.561 1.00 65.24 H new ATOM 0 HB3 SER A 18 25.161 -19.732 16.624 1.00 65.24 H new ATOM 0 HG SER A 18 24.531 -19.249 18.803 1.00 23.35 H new ATOM 284 N GLY A 19 25.247 -22.300 15.579 1.00 4.34 N ATOM 285 CA GLY A 19 24.368 -23.352 15.105 1.00 33.15 C ATOM 286 C GLY A 19 22.906 -23.049 15.370 1.00 23.35 C ATOM 287 O GLY A 19 22.330 -23.539 16.343 1.00 44.11 O ATOM 0 H GLY A 19 25.437 -21.562 14.901 1.00 4.34 H new ATOM 0 HA2 GLY A 19 24.519 -23.492 14.035 1.00 33.15 H new ATOM 0 HA3 GLY A 19 24.635 -24.291 15.590 1.00 33.15 H new ATOM 291 N CYS A 20 22.305 -22.240 14.506 1.00 45.33 N ATOM 292 CA CYS A 20 20.902 -21.870 14.652 1.00 21.05 C ATOM 293 C CYS A 20 20.206 -21.828 13.296 1.00 61.20 C ATOM 294 O CYS A 20 19.161 -21.195 13.141 1.00 61.33 O ATOM 295 CB CYS A 20 20.781 -20.511 15.344 1.00 72.14 C ATOM 296 SG CYS A 20 20.012 -20.581 16.979 1.00 52.44 S ATOM 0 H CYS A 20 22.768 -21.827 13.696 1.00 45.33 H new ATOM 0 HA CYS A 20 20.414 -22.627 15.266 1.00 21.05 H new ATOM 0 HB2 CYS A 20 21.775 -20.075 15.440 1.00 72.14 H new ATOM 0 HB3 CYS A 20 20.200 -19.842 14.709 1.00 72.14 H new ATOM 0 HG CYS A 20 18.985 -19.784 17.010 1.00 52.44 H new ATOM 302 N THR A 21 20.793 -22.506 12.314 1.00 2.41 N ATOM 303 CA THR A 21 20.232 -22.544 10.970 1.00 53.22 C ATOM 304 C THR A 21 19.907 -21.141 10.470 1.00 51.04 C ATOM 305 O THR A 21 18.793 -20.648 10.649 1.00 34.44 O ATOM 306 CB THR A 21 18.955 -23.403 10.919 1.00 75.34 C ATOM 307 OG1 THR A 21 18.577 -23.800 12.242 1.00 43.41 O ATOM 308 CG2 THR A 21 19.167 -24.638 10.055 1.00 2.24 C ATOM 0 H THR A 21 21.657 -23.036 12.425 1.00 2.41 H new ATOM 0 HA THR A 21 20.988 -22.991 10.324 1.00 53.22 H new ATOM 0 HB THR A 21 18.158 -22.803 10.479 1.00 75.34 H new ATOM 0 HG1 THR A 21 17.763 -24.344 12.200 1.00 43.41 H new ATOM 0 HG21 THR A 21 18.251 -25.229 10.034 1.00 2.24 H new ATOM 0 HG22 THR A 21 19.425 -24.333 9.041 1.00 2.24 H new ATOM 0 HG23 THR A 21 19.977 -25.238 10.470 1.00 2.24 H new ATOM 316 N THR A 22 20.887 -20.501 9.839 1.00 11.55 N ATOM 317 CA THR A 22 20.705 -19.154 9.313 1.00 2.43 C ATOM 318 C THR A 22 21.323 -19.017 7.926 1.00 33.23 C ATOM 319 O THR A 22 22.399 -19.554 7.659 1.00 75.12 O ATOM 320 CB THR A 22 21.328 -18.097 10.246 1.00 74.50 C ATOM 321 OG1 THR A 22 21.353 -16.823 9.594 1.00 2.44 O ATOM 322 CG2 THR A 22 22.740 -18.496 10.648 1.00 13.51 C ATOM 0 H THR A 22 21.815 -20.894 9.680 1.00 11.55 H new ATOM 0 HA THR A 22 19.630 -18.983 9.248 1.00 2.43 H new ATOM 0 HB THR A 22 20.716 -18.032 11.146 1.00 74.50 H new ATOM 0 HG1 THR A 22 21.749 -16.156 10.194 1.00 2.44 H new ATOM 0 HG21 THR A 22 23.160 -17.735 11.306 1.00 13.51 H new ATOM 0 HG22 THR A 22 22.713 -19.453 11.170 1.00 13.51 H new ATOM 0 HG23 THR A 22 23.360 -18.586 9.756 1.00 13.51 H new ATOM 330 N LEU A 23 20.637 -18.296 7.047 1.00 54.31 N ATOM 331 CA LEU A 23 21.119 -18.088 5.686 1.00 54.33 C ATOM 332 C LEU A 23 21.890 -16.777 5.576 1.00 43.33 C ATOM 333 O LEU A 23 21.572 -15.799 6.253 1.00 45.03 O ATOM 334 CB LEU A 23 19.946 -18.087 4.703 1.00 2.31 C ATOM 335 CG LEU A 23 19.508 -19.455 4.179 1.00 4.21 C ATOM 336 CD1 LEU A 23 19.321 -20.432 5.329 1.00 14.22 C ATOM 337 CD2 LEU A 23 18.227 -19.330 3.368 1.00 31.11 C ATOM 0 H LEU A 23 19.745 -17.845 7.252 1.00 54.31 H new ATOM 0 HA LEU A 23 21.794 -18.907 5.437 1.00 54.33 H new ATOM 0 HB2 LEU A 23 19.092 -17.616 5.189 1.00 2.31 H new ATOM 0 HB3 LEU A 23 20.213 -17.462 3.851 1.00 2.31 H new ATOM 0 HG LEU A 23 20.291 -19.841 3.526 1.00 4.21 H new ATOM 0 HD11 LEU A 23 19.009 -21.400 4.937 1.00 14.22 H new ATOM 0 HD12 LEU A 23 20.262 -20.545 5.867 1.00 14.22 H new ATOM 0 HD13 LEU A 23 18.557 -20.053 6.008 1.00 14.22 H new ATOM 0 HD21 LEU A 23 17.930 -20.313 3.003 1.00 31.11 H new ATOM 0 HD22 LEU A 23 17.436 -18.923 3.998 1.00 31.11 H new ATOM 0 HD23 LEU A 23 18.396 -18.664 2.521 1.00 31.11 H new ATOM 349 N SER A 24 22.905 -16.763 4.717 1.00 74.33 N ATOM 350 CA SER A 24 23.723 -15.573 4.519 1.00 50.33 C ATOM 351 C SER A 24 23.712 -15.143 3.055 1.00 62.32 C ATOM 352 O SER A 24 23.709 -15.980 2.151 1.00 25.14 O ATOM 353 CB SER A 24 25.160 -15.834 4.975 1.00 73.13 C ATOM 354 OG SER A 24 25.990 -14.716 4.712 1.00 15.22 O ATOM 0 H SER A 24 23.180 -17.563 4.147 1.00 74.33 H new ATOM 0 HA SER A 24 23.300 -14.768 5.119 1.00 50.33 H new ATOM 0 HB2 SER A 24 25.171 -16.056 6.042 1.00 73.13 H new ATOM 0 HB3 SER A 24 25.554 -16.712 4.462 1.00 73.13 H new ATOM 0 HG SER A 24 25.447 -13.900 4.704 1.00 15.22 H new ATOM 360 N ILE A 25 23.706 -13.834 2.829 1.00 51.01 N ATOM 361 CA ILE A 25 23.696 -13.293 1.476 1.00 44.24 C ATOM 362 C ILE A 25 25.106 -12.937 1.016 1.00 2.41 C ATOM 363 O ILE A 25 25.795 -12.142 1.655 1.00 21.24 O ATOM 364 CB ILE A 25 22.805 -12.041 1.376 1.00 74.20 C ATOM 365 CG1 ILE A 25 21.451 -12.298 2.042 1.00 24.12 C ATOM 366 CG2 ILE A 25 22.617 -11.639 -0.079 1.00 72.02 C ATOM 367 CD1 ILE A 25 20.709 -13.482 1.464 1.00 34.55 C ATOM 0 H ILE A 25 23.708 -13.128 3.566 1.00 51.01 H new ATOM 0 HA ILE A 25 23.290 -14.070 0.829 1.00 44.24 H new ATOM 0 HB ILE A 25 23.297 -11.221 1.899 1.00 74.20 H new ATOM 0 HG12 ILE A 25 21.605 -12.461 3.109 1.00 24.12 H new ATOM 0 HG13 ILE A 25 20.831 -11.407 1.942 1.00 24.12 H new ATOM 0 HG21 ILE A 25 21.985 -10.753 -0.133 1.00 72.02 H new ATOM 0 HG22 ILE A 25 23.588 -11.420 -0.524 1.00 72.02 H new ATOM 0 HG23 ILE A 25 22.144 -12.456 -0.624 1.00 72.02 H new ATOM 0 HD11 ILE A 25 19.759 -13.605 1.984 1.00 34.55 H new ATOM 0 HD12 ILE A 25 20.523 -13.313 0.403 1.00 34.55 H new ATOM 0 HD13 ILE A 25 21.309 -14.383 1.588 1.00 34.55 H new ATOM 379 N GLN A 26 25.527 -13.529 -0.097 1.00 2.41 N ATOM 380 CA GLN A 26 26.855 -13.272 -0.643 1.00 32.44 C ATOM 381 C GLN A 26 26.793 -12.240 -1.763 1.00 51.41 C ATOM 382 O GLN A 26 27.688 -12.169 -2.604 1.00 4.40 O ATOM 383 CB GLN A 26 27.475 -14.570 -1.163 1.00 75.52 C ATOM 384 CG GLN A 26 27.867 -15.542 -0.062 1.00 5.44 C ATOM 385 CD GLN A 26 27.552 -16.982 -0.413 1.00 53.14 C ATOM 386 OE1 GLN A 26 28.440 -17.834 -0.449 1.00 3.43 O ATOM 387 NE2 GLN A 26 26.281 -17.263 -0.676 1.00 14.51 N ATOM 0 H GLN A 26 24.969 -14.189 -0.638 1.00 2.41 H new ATOM 0 HA GLN A 26 27.479 -12.875 0.158 1.00 32.44 H new ATOM 0 HB2 GLN A 26 26.767 -15.059 -1.832 1.00 75.52 H new ATOM 0 HB3 GLN A 26 28.358 -14.329 -1.755 1.00 75.52 H new ATOM 0 HG2 GLN A 26 28.934 -15.446 0.138 1.00 5.44 H new ATOM 0 HG3 GLN A 26 27.345 -15.274 0.857 1.00 5.44 H new ATOM 0 HE21 GLN A 26 25.577 -16.526 -0.635 1.00 14.51 H new ATOM 0 HE22 GLN A 26 26.009 -18.215 -0.919 1.00 14.51 H new ATOM 396 N GLU A 27 25.730 -11.441 -1.768 1.00 33.55 N ATOM 397 CA GLU A 27 25.551 -10.413 -2.786 1.00 65.41 C ATOM 398 C GLU A 27 24.918 -9.160 -2.189 1.00 70.01 C ATOM 399 O GLU A 27 24.753 -9.053 -0.974 1.00 11.12 O ATOM 400 CB GLU A 27 24.683 -10.942 -3.929 1.00 71.05 C ATOM 401 CG GLU A 27 25.345 -10.842 -5.293 1.00 62.33 C ATOM 402 CD GLU A 27 24.870 -9.641 -6.086 1.00 54.44 C ATOM 403 OE1 GLU A 27 23.674 -9.297 -5.984 1.00 14.12 O ATOM 404 OE2 GLU A 27 25.694 -9.044 -6.810 1.00 5.33 O ATOM 0 H GLU A 27 24.980 -11.486 -1.078 1.00 33.55 H new ATOM 0 HA GLU A 27 26.534 -10.150 -3.177 1.00 65.41 H new ATOM 0 HB2 GLU A 27 24.433 -11.984 -3.732 1.00 71.05 H new ATOM 0 HB3 GLU A 27 23.745 -10.387 -3.948 1.00 71.05 H new ATOM 0 HG2 GLU A 27 26.426 -10.783 -5.165 1.00 62.33 H new ATOM 0 HG3 GLU A 27 25.140 -11.751 -5.859 1.00 62.33 H new ATOM 411 N VAL A 28 24.565 -8.213 -3.053 1.00 64.30 N ATOM 412 CA VAL A 28 23.950 -6.967 -2.613 1.00 33.24 C ATOM 413 C VAL A 28 22.622 -6.730 -3.322 1.00 54.54 C ATOM 414 O VAL A 28 22.589 -6.332 -4.488 1.00 24.43 O ATOM 415 CB VAL A 28 24.877 -5.763 -2.865 1.00 33.32 C ATOM 416 CG1 VAL A 28 24.389 -4.544 -2.098 1.00 11.41 C ATOM 417 CG2 VAL A 28 26.309 -6.105 -2.483 1.00 61.25 C ATOM 0 H VAL A 28 24.695 -8.286 -4.062 1.00 64.30 H new ATOM 0 HA VAL A 28 23.775 -7.062 -1.541 1.00 33.24 H new ATOM 0 HB VAL A 28 24.855 -5.526 -3.929 1.00 33.32 H new ATOM 0 HG11 VAL A 28 25.056 -3.703 -2.288 1.00 11.41 H new ATOM 0 HG12 VAL A 28 23.381 -4.288 -2.424 1.00 11.41 H new ATOM 0 HG13 VAL A 28 24.380 -4.765 -1.031 1.00 11.41 H new ATOM 0 HG21 VAL A 28 26.950 -5.243 -2.667 1.00 61.25 H new ATOM 0 HG22 VAL A 28 26.351 -6.369 -1.426 1.00 61.25 H new ATOM 0 HG23 VAL A 28 26.654 -6.948 -3.081 1.00 61.25 H new ATOM 427 N THR A 29 21.525 -6.975 -2.612 1.00 11.30 N ATOM 428 CA THR A 29 20.193 -6.788 -3.173 1.00 70.25 C ATOM 429 C THR A 29 19.617 -5.432 -2.783 1.00 34.21 C ATOM 430 O THR A 29 18.698 -4.930 -3.429 1.00 14.41 O ATOM 431 CB THR A 29 19.228 -7.896 -2.711 1.00 21.14 C ATOM 432 OG1 THR A 29 17.901 -7.613 -3.169 1.00 2.15 O ATOM 433 CG2 THR A 29 19.231 -8.018 -1.194 1.00 45.03 C ATOM 0 H THR A 29 21.533 -7.304 -1.646 1.00 11.30 H new ATOM 0 HA THR A 29 20.297 -6.836 -4.257 1.00 70.25 H new ATOM 0 HB THR A 29 19.565 -8.841 -3.137 1.00 21.14 H new ATOM 0 HG1 THR A 29 17.885 -7.617 -4.149 1.00 2.15 H new ATOM 0 HG21 THR A 29 18.542 -8.807 -0.891 1.00 45.03 H new ATOM 0 HG22 THR A 29 20.236 -8.262 -0.851 1.00 45.03 H new ATOM 0 HG23 THR A 29 18.917 -7.072 -0.752 1.00 45.03 H new ATOM 441 N GLN A 30 20.163 -4.845 -1.723 1.00 32.32 N ATOM 442 CA GLN A 30 19.701 -3.546 -1.247 1.00 25.50 C ATOM 443 C GLN A 30 20.240 -2.422 -2.125 1.00 62.25 C ATOM 444 O GLN A 30 20.972 -1.549 -1.657 1.00 33.21 O ATOM 445 CB GLN A 30 20.134 -3.328 0.204 1.00 62.12 C ATOM 446 CG GLN A 30 19.296 -4.099 1.211 1.00 4.12 C ATOM 447 CD GLN A 30 19.699 -5.557 1.311 1.00 2.02 C ATOM 448 OE1 GLN A 30 20.855 -5.911 1.077 1.00 60.20 O ATOM 449 NE2 GLN A 30 18.746 -6.412 1.661 1.00 75.20 N ATOM 0 H GLN A 30 20.925 -5.248 -1.178 1.00 32.32 H new ATOM 0 HA GLN A 30 18.612 -3.534 -1.300 1.00 25.50 H new ATOM 0 HB2 GLN A 30 21.178 -3.623 0.311 1.00 62.12 H new ATOM 0 HB3 GLN A 30 20.078 -2.264 0.435 1.00 62.12 H new ATOM 0 HG2 GLN A 30 19.391 -3.632 2.191 1.00 4.12 H new ATOM 0 HG3 GLN A 30 18.245 -4.035 0.928 1.00 4.12 H new ATOM 0 HE21 GLN A 30 17.801 -6.075 1.846 1.00 75.20 H new ATOM 0 HE22 GLN A 30 18.958 -7.406 1.745 1.00 75.20 H new ATOM 458 N THR A 31 19.874 -2.449 -3.403 1.00 64.14 N ATOM 459 CA THR A 31 20.322 -1.434 -4.348 1.00 40.40 C ATOM 460 C THR A 31 19.285 -1.205 -5.442 1.00 10.24 C ATOM 461 O THR A 31 19.592 -0.647 -6.495 1.00 45.23 O ATOM 462 CB THR A 31 21.662 -1.824 -5.000 1.00 74.53 C ATOM 463 OG1 THR A 31 21.674 -3.226 -5.292 1.00 73.32 O ATOM 464 CG2 THR A 31 22.829 -1.481 -4.087 1.00 33.42 C ATOM 0 H THR A 31 19.268 -3.163 -3.807 1.00 64.14 H new ATOM 0 HA THR A 31 20.458 -0.513 -3.781 1.00 40.40 H new ATOM 0 HB THR A 31 21.768 -1.259 -5.926 1.00 74.53 H new ATOM 0 HG1 THR A 31 22.528 -3.466 -5.708 1.00 73.32 H new ATOM 0 HG21 THR A 31 23.764 -1.766 -4.569 1.00 33.42 H new ATOM 0 HG22 THR A 31 22.834 -0.409 -3.890 1.00 33.42 H new ATOM 0 HG23 THR A 31 22.726 -2.022 -3.146 1.00 33.42 H new ATOM 472 N TYR A 32 18.056 -1.638 -5.185 1.00 31.12 N ATOM 473 CA TYR A 32 16.973 -1.482 -6.149 1.00 3.21 C ATOM 474 C TYR A 32 15.614 -1.604 -5.466 1.00 43.15 C ATOM 475 O TYR A 32 15.500 -2.171 -4.379 1.00 51.12 O ATOM 476 CB TYR A 32 17.095 -2.528 -7.258 1.00 42.33 C ATOM 477 CG TYR A 32 16.969 -3.951 -6.765 1.00 34.41 C ATOM 478 CD1 TYR A 32 15.723 -4.511 -6.511 1.00 32.34 C ATOM 479 CD2 TYR A 32 18.095 -4.737 -6.554 1.00 2.11 C ATOM 480 CE1 TYR A 32 15.603 -5.811 -6.059 1.00 73.30 C ATOM 481 CE2 TYR A 32 17.985 -6.038 -6.104 1.00 35.32 C ATOM 482 CZ TYR A 32 16.736 -6.571 -5.857 1.00 43.34 C ATOM 483 OH TYR A 32 16.621 -7.867 -5.409 1.00 13.41 O ATOM 0 H TYR A 32 17.785 -2.100 -4.317 1.00 31.12 H new ATOM 0 HA TYR A 32 17.051 -0.487 -6.587 1.00 3.21 H new ATOM 0 HB2 TYR A 32 16.325 -2.342 -8.007 1.00 42.33 H new ATOM 0 HB3 TYR A 32 18.058 -2.408 -7.754 1.00 42.33 H new ATOM 0 HD1 TYR A 32 14.833 -3.920 -6.670 1.00 32.34 H new ATOM 0 HD2 TYR A 32 19.074 -4.323 -6.745 1.00 2.11 H new ATOM 0 HE1 TYR A 32 14.627 -6.230 -5.865 1.00 73.30 H new ATOM 0 HE2 TYR A 32 18.871 -6.635 -5.946 1.00 35.32 H new ATOM 0 HH TYR A 32 17.015 -8.477 -6.067 1.00 13.41 H new ATOM 493 N THR A 33 14.584 -1.068 -6.114 1.00 1.34 N ATOM 494 CA THR A 33 13.232 -1.115 -5.571 1.00 43.00 C ATOM 495 C THR A 33 12.204 -0.709 -6.621 1.00 20.04 C ATOM 496 O THR A 33 12.531 -0.551 -7.796 1.00 4.01 O ATOM 497 CB THR A 33 13.087 -0.195 -4.344 1.00 30.42 C ATOM 498 OG1 THR A 33 11.899 -0.531 -3.618 1.00 24.53 O ATOM 499 CG2 THR A 33 13.033 1.265 -4.765 1.00 44.24 C ATOM 0 H THR A 33 14.661 -0.596 -7.015 1.00 1.34 H new ATOM 0 HA THR A 33 13.049 -2.145 -5.266 1.00 43.00 H new ATOM 0 HB THR A 33 13.958 -0.340 -3.704 1.00 30.42 H new ATOM 0 HG1 THR A 33 11.815 0.057 -2.839 1.00 24.53 H new ATOM 0 HG21 THR A 33 12.930 1.895 -3.881 1.00 44.24 H new ATOM 0 HG22 THR A 33 13.951 1.526 -5.292 1.00 44.24 H new ATOM 0 HG23 THR A 33 12.179 1.422 -5.424 1.00 44.24 H new ATOM 507 N GLY A 34 10.958 -0.541 -6.188 1.00 10.20 N ATOM 508 CA GLY A 34 9.901 -0.154 -7.104 1.00 13.24 C ATOM 509 C GLY A 34 8.598 0.148 -6.390 1.00 52.33 C ATOM 510 O GLY A 34 8.361 -0.336 -5.284 1.00 22.32 O ATOM 0 H GLY A 34 10.662 -0.666 -5.220 1.00 10.20 H new ATOM 0 HA2 GLY A 34 10.216 0.725 -7.667 1.00 13.24 H new ATOM 0 HA3 GLY A 34 9.739 -0.954 -7.826 1.00 13.24 H new ATOM 514 N SER A 35 7.751 0.953 -7.024 1.00 74.22 N ATOM 515 CA SER A 35 6.467 1.324 -6.441 1.00 33.43 C ATOM 516 C SER A 35 6.664 2.190 -5.201 1.00 13.24 C ATOM 517 O SER A 35 7.532 1.919 -4.372 1.00 42.55 O ATOM 518 CB SER A 35 5.666 0.071 -6.080 1.00 11.05 C ATOM 519 OG SER A 35 4.481 -0.017 -6.851 1.00 52.24 O ATOM 0 H SER A 35 7.931 1.361 -7.941 1.00 74.22 H new ATOM 0 HA SER A 35 5.912 1.900 -7.181 1.00 33.43 H new ATOM 0 HB2 SER A 35 6.278 -0.816 -6.246 1.00 11.05 H new ATOM 0 HB3 SER A 35 5.413 0.090 -5.020 1.00 11.05 H new ATOM 0 HG SER A 35 3.988 -0.827 -6.602 1.00 52.24 H new ATOM 525 N ASN A 36 5.850 3.234 -5.081 1.00 11.14 N ATOM 526 CA ASN A 36 5.934 4.142 -3.942 1.00 41.03 C ATOM 527 C ASN A 36 7.369 4.612 -3.727 1.00 3.43 C ATOM 528 O ASN A 36 7.802 4.821 -2.594 1.00 72.01 O ATOM 529 CB ASN A 36 5.415 3.456 -2.677 1.00 13.30 C ATOM 530 CG ASN A 36 3.902 3.496 -2.577 1.00 1.40 C ATOM 531 OD1 ASN A 36 3.347 3.859 -1.540 1.00 11.12 O ATOM 532 ND2 ASN A 36 3.228 3.122 -3.658 1.00 53.51 N ATOM 0 H ASN A 36 5.125 3.472 -5.758 1.00 11.14 H new ATOM 0 HA ASN A 36 5.313 5.012 -4.156 1.00 41.03 H new ATOM 0 HB2 ASN A 36 5.750 2.419 -2.666 1.00 13.30 H new ATOM 0 HB3 ASN A 36 5.847 3.940 -1.801 1.00 13.30 H new ATOM 0 HD21 ASN A 36 2.208 3.128 -3.651 1.00 53.51 H new ATOM 0 HD22 ASN A 36 3.730 2.829 -4.496 1.00 53.51 H new ATOM 539 N GLY A 37 8.103 4.778 -4.823 1.00 42.21 N ATOM 540 CA GLY A 37 9.482 5.223 -4.733 1.00 15.31 C ATOM 541 C GLY A 37 10.317 4.765 -5.912 1.00 11.50 C ATOM 542 O GLY A 37 10.695 5.569 -6.763 1.00 51.22 O ATOM 0 H GLY A 37 7.767 4.612 -5.772 1.00 42.21 H new ATOM 0 HA2 GLY A 37 9.506 6.311 -4.675 1.00 15.31 H new ATOM 0 HA3 GLY A 37 9.923 4.845 -3.811 1.00 15.31 H new ATOM 546 N GLY A 38 10.608 3.469 -5.962 1.00 32.14 N ATOM 547 CA GLY A 38 11.404 2.928 -7.048 1.00 54.31 C ATOM 548 C GLY A 38 12.716 3.665 -7.227 1.00 65.41 C ATOM 549 O GLY A 38 13.235 3.762 -8.339 1.00 72.50 O ATOM 0 H GLY A 38 10.307 2.784 -5.269 1.00 32.14 H new ATOM 0 HA2 GLY A 38 11.606 1.874 -6.857 1.00 54.31 H new ATOM 0 HA3 GLY A 38 10.832 2.980 -7.975 1.00 54.31 H new ATOM 611 N GLY A 43 21.017 2.328 -1.075 1.00 63.41 N ATOM 612 CA GLY A 43 20.556 3.082 0.076 1.00 42.24 C ATOM 613 C GLY A 43 20.496 2.240 1.335 1.00 54.24 C ATOM 614 O GLY A 43 21.284 2.417 2.264 1.00 71.23 O ATOM 0 HA2 GLY A 43 21.221 3.930 0.241 1.00 42.24 H new ATOM 0 HA3 GLY A 43 19.567 3.489 -0.133 1.00 42.24 H new ATOM 618 N PRO A 44 19.540 1.300 1.377 1.00 14.42 N ATOM 619 CA PRO A 44 19.355 0.410 2.527 1.00 4.11 C ATOM 620 C PRO A 44 20.490 -0.599 2.667 1.00 43.32 C ATOM 621 O PRO A 44 20.564 -1.331 3.653 1.00 62.43 O ATOM 622 CB PRO A 44 18.039 -0.306 2.214 1.00 1.23 C ATOM 623 CG PRO A 44 17.926 -0.260 0.729 1.00 4.45 C ATOM 624 CD PRO A 44 18.565 1.034 0.306 1.00 41.12 C ATOM 0 HA PRO A 44 19.344 0.958 3.469 1.00 4.11 H new ATOM 0 HB2 PRO A 44 18.051 -1.333 2.578 1.00 1.23 H new ATOM 0 HB3 PRO A 44 17.195 0.192 2.691 1.00 1.23 H new ATOM 0 HG2 PRO A 44 18.430 -1.112 0.273 1.00 4.45 H new ATOM 0 HG3 PRO A 44 16.883 -0.301 0.415 1.00 4.45 H new ATOM 0 HD2 PRO A 44 19.050 0.943 -0.666 1.00 41.12 H new ATOM 0 HD3 PRO A 44 17.831 1.836 0.222 1.00 41.12 H new ATOM 632 N ALA A 45 21.373 -0.631 1.674 1.00 41.41 N ATOM 633 CA ALA A 45 22.506 -1.548 1.688 1.00 53.02 C ATOM 634 C ALA A 45 23.569 -1.093 2.682 1.00 15.12 C ATOM 635 O ALA A 45 23.816 -1.757 3.689 1.00 15.33 O ATOM 636 CB ALA A 45 23.103 -1.671 0.294 1.00 53.23 C ATOM 0 H ALA A 45 21.325 -0.032 0.850 1.00 41.41 H new ATOM 0 HA ALA A 45 22.145 -2.527 2.005 1.00 53.02 H new ATOM 0 HB1 ALA A 45 23.948 -2.359 0.320 1.00 53.23 H new ATOM 0 HB2 ALA A 45 22.347 -2.050 -0.393 1.00 53.23 H new ATOM 0 HB3 ALA A 45 23.442 -0.692 -0.044 1.00 53.23 H new ATOM 642 N PHE A 46 24.195 0.043 2.393 1.00 64.51 N ATOM 643 CA PHE A 46 25.233 0.585 3.261 1.00 5.53 C ATOM 644 C PHE A 46 24.627 1.176 4.531 1.00 53.13 C ATOM 645 O PHE A 46 25.192 1.053 5.617 1.00 74.31 O ATOM 646 CB PHE A 46 26.039 1.656 2.522 1.00 74.14 C ATOM 647 CG PHE A 46 27.430 1.836 3.057 1.00 64.22 C ATOM 648 CD1 PHE A 46 27.674 2.696 4.116 1.00 72.15 C ATOM 649 CD2 PHE A 46 28.495 1.145 2.502 1.00 61.52 C ATOM 650 CE1 PHE A 46 28.954 2.864 4.609 1.00 34.13 C ATOM 651 CE2 PHE A 46 29.777 1.308 2.992 1.00 42.13 C ATOM 652 CZ PHE A 46 30.006 2.168 4.048 1.00 44.24 C ATOM 0 H PHE A 46 24.001 0.606 1.565 1.00 64.51 H new ATOM 0 HA PHE A 46 25.898 -0.231 3.542 1.00 5.53 H new ATOM 0 HB2 PHE A 46 26.096 1.392 1.466 1.00 74.14 H new ATOM 0 HB3 PHE A 46 25.509 2.606 2.585 1.00 74.14 H new ATOM 0 HD1 PHE A 46 26.855 3.241 4.561 1.00 72.15 H new ATOM 0 HD2 PHE A 46 28.321 0.471 1.676 1.00 61.52 H new ATOM 0 HE1 PHE A 46 29.131 3.539 5.433 1.00 34.13 H new ATOM 0 HE2 PHE A 46 30.598 0.764 2.550 1.00 42.13 H new ATOM 0 HZ PHE A 46 31.006 2.296 4.434 1.00 44.24 H new ATOM 662 N ALA A 47 23.473 1.819 4.384 1.00 34.41 N ATOM 663 CA ALA A 47 22.788 2.427 5.518 1.00 52.22 C ATOM 664 C ALA A 47 22.478 1.391 6.593 1.00 53.03 C ATOM 665 O ALA A 47 22.593 1.668 7.786 1.00 33.43 O ATOM 666 CB ALA A 47 21.509 3.111 5.057 1.00 42.21 C ATOM 0 H ALA A 47 22.993 1.932 3.491 1.00 34.41 H new ATOM 0 HA ALA A 47 23.451 3.175 5.952 1.00 52.22 H new ATOM 0 HB1 ALA A 47 21.008 3.561 5.914 1.00 42.21 H new ATOM 0 HB2 ALA A 47 21.753 3.887 4.331 1.00 42.21 H new ATOM 0 HB3 ALA A 47 20.849 2.376 4.595 1.00 42.21 H new ATOM 672 N ALA A 48 22.084 0.197 6.161 1.00 15.43 N ATOM 673 CA ALA A 48 21.758 -0.880 7.087 1.00 22.31 C ATOM 674 C ALA A 48 22.986 -1.732 7.392 1.00 40.31 C ATOM 675 O ALA A 48 22.984 -2.529 8.329 1.00 12.30 O ATOM 676 CB ALA A 48 20.642 -1.745 6.520 1.00 51.43 C ATOM 0 H ALA A 48 21.983 -0.048 5.176 1.00 15.43 H new ATOM 0 HA ALA A 48 21.417 -0.432 8.020 1.00 22.31 H new ATOM 0 HB1 ALA A 48 20.409 -2.545 7.223 1.00 51.43 H new ATOM 0 HB2 ALA A 48 19.754 -1.134 6.359 1.00 51.43 H new ATOM 0 HB3 ALA A 48 20.962 -2.177 5.572 1.00 51.43 H new ATOM 682 N GLY A 49 24.034 -1.558 6.593 1.00 45.32 N ATOM 683 CA GLY A 49 25.254 -2.318 6.793 1.00 3.14 C ATOM 684 C GLY A 49 25.229 -3.654 6.078 1.00 60.00 C ATOM 685 O GLY A 49 26.173 -4.439 6.179 1.00 43.45 O ATOM 0 H GLY A 49 24.060 -0.904 5.811 1.00 45.32 H new ATOM 0 HA2 GLY A 49 26.104 -1.735 6.438 1.00 3.14 H new ATOM 0 HA3 GLY A 49 25.405 -2.483 7.860 1.00 3.14 H new ATOM 689 N LEU A 50 24.146 -3.916 5.355 1.00 51.42 N ATOM 690 CA LEU A 50 24.000 -5.168 4.620 1.00 2.44 C ATOM 691 C LEU A 50 25.022 -5.259 3.491 1.00 14.33 C ATOM 692 O LEU A 50 25.009 -4.451 2.563 1.00 54.35 O ATOM 693 CB LEU A 50 22.584 -5.288 4.054 1.00 44.54 C ATOM 694 CG LEU A 50 21.446 -5.232 5.073 1.00 23.13 C ATOM 695 CD1 LEU A 50 20.108 -5.478 4.394 1.00 43.24 C ATOM 696 CD2 LEU A 50 21.676 -6.246 6.185 1.00 42.32 C ATOM 0 H LEU A 50 23.356 -3.278 5.262 1.00 51.42 H new ATOM 0 HA LEU A 50 24.178 -5.991 5.313 1.00 2.44 H new ATOM 0 HB2 LEU A 50 22.435 -4.488 3.329 1.00 44.54 H new ATOM 0 HB3 LEU A 50 22.511 -6.229 3.509 1.00 44.54 H new ATOM 0 HG LEU A 50 21.428 -4.235 5.514 1.00 23.13 H new ATOM 0 HD11 LEU A 50 19.310 -5.434 5.135 1.00 43.24 H new ATOM 0 HD12 LEU A 50 19.940 -4.715 3.634 1.00 43.24 H new ATOM 0 HD13 LEU A 50 20.114 -6.462 3.925 1.00 43.24 H new ATOM 0 HD21 LEU A 50 20.856 -6.192 6.902 1.00 42.32 H new ATOM 0 HD22 LEU A 50 21.721 -7.249 5.760 1.00 42.32 H new ATOM 0 HD23 LEU A 50 22.615 -6.024 6.691 1.00 42.32 H new ATOM 708 N ARG A 51 25.904 -6.249 3.577 1.00 1.30 N ATOM 709 CA ARG A 51 26.932 -6.446 2.562 1.00 31.11 C ATOM 710 C ARG A 51 27.172 -7.932 2.313 1.00 73.40 C ATOM 711 O ARG A 51 26.683 -8.784 3.056 1.00 4.10 O ATOM 712 CB ARG A 51 28.237 -5.773 2.990 1.00 42.32 C ATOM 713 CG ARG A 51 28.607 -4.568 2.141 1.00 45.43 C ATOM 714 CD ARG A 51 30.080 -4.586 1.760 1.00 55.14 C ATOM 715 NE ARG A 51 30.948 -4.425 2.923 1.00 60.13 N ATOM 716 CZ ARG A 51 32.271 -4.534 2.873 1.00 50.34 C ATOM 717 NH1 ARG A 51 32.874 -4.801 1.723 1.00 64.32 N ATOM 718 NH2 ARG A 51 32.993 -4.374 3.974 1.00 2.12 N ATOM 0 H ARG A 51 25.928 -6.927 4.339 1.00 1.30 H new ATOM 0 HA ARG A 51 26.584 -5.991 1.635 1.00 31.11 H new ATOM 0 HB2 ARG A 51 28.151 -5.461 4.031 1.00 42.32 H new ATOM 0 HB3 ARG A 51 29.045 -6.503 2.942 1.00 42.32 H new ATOM 0 HG2 ARG A 51 27.997 -4.556 1.238 1.00 45.43 H new ATOM 0 HG3 ARG A 51 28.383 -3.653 2.689 1.00 45.43 H new ATOM 0 HD2 ARG A 51 30.314 -5.526 1.261 1.00 55.14 H new ATOM 0 HD3 ARG A 51 30.279 -3.787 1.045 1.00 55.14 H new ATOM 0 HE ARG A 51 30.515 -4.218 3.823 1.00 60.13 H new ATOM 0 HH11 ARG A 51 32.322 -4.923 0.874 1.00 64.32 H new ATOM 0 HH12 ARG A 51 33.890 -4.884 1.687 1.00 64.32 H new ATOM 0 HH21 ARG A 51 32.532 -4.167 4.860 1.00 2.12 H new ATOM 0 HH22 ARG A 51 34.009 -4.458 3.934 1.00 2.12 H new ATOM 732 N VAL A 52 27.926 -8.237 1.262 1.00 45.20 N ATOM 733 CA VAL A 52 28.232 -9.620 0.915 1.00 53.42 C ATOM 734 C VAL A 52 28.873 -10.352 2.088 1.00 45.11 C ATOM 735 O VAL A 52 29.799 -9.844 2.719 1.00 12.54 O ATOM 736 CB VAL A 52 29.173 -9.698 -0.302 1.00 73.20 C ATOM 737 CG1 VAL A 52 28.512 -9.088 -1.529 1.00 33.33 C ATOM 738 CG2 VAL A 52 30.494 -9.007 0.001 1.00 34.20 C ATOM 0 H VAL A 52 28.337 -7.545 0.636 1.00 45.20 H new ATOM 0 HA VAL A 52 27.286 -10.100 0.665 1.00 53.42 H new ATOM 0 HB VAL A 52 29.378 -10.747 -0.514 1.00 73.20 H new ATOM 0 HG11 VAL A 52 29.192 -9.152 -2.378 1.00 33.33 H new ATOM 0 HG12 VAL A 52 27.595 -9.632 -1.756 1.00 33.33 H new ATOM 0 HG13 VAL A 52 28.275 -8.042 -1.333 1.00 33.33 H new ATOM 0 HG21 VAL A 52 31.147 -9.072 -0.870 1.00 34.20 H new ATOM 0 HG22 VAL A 52 30.310 -7.959 0.240 1.00 34.20 H new ATOM 0 HG23 VAL A 52 30.973 -9.494 0.850 1.00 34.20 H new ATOM 748 N GLY A 53 28.375 -11.551 2.374 1.00 2.02 N ATOM 749 CA GLY A 53 28.912 -12.335 3.471 1.00 3.21 C ATOM 750 C GLY A 53 28.220 -12.040 4.787 1.00 25.43 C ATOM 751 O GLY A 53 28.701 -12.434 5.850 1.00 12.24 O ATOM 0 H GLY A 53 27.609 -11.993 1.866 1.00 2.02 H new ATOM 0 HA2 GLY A 53 28.810 -13.395 3.240 1.00 3.21 H new ATOM 0 HA3 GLY A 53 29.978 -12.132 3.571 1.00 3.21 H new ATOM 755 N ASP A 54 27.090 -11.346 4.717 1.00 5.43 N ATOM 756 CA ASP A 54 26.331 -10.998 5.913 1.00 44.21 C ATOM 757 C ASP A 54 25.126 -11.918 6.078 1.00 21.32 C ATOM 758 O ASP A 54 24.543 -12.375 5.095 1.00 25.12 O ATOM 759 CB ASP A 54 25.871 -9.541 5.845 1.00 74.04 C ATOM 760 CG ASP A 54 27.029 -8.564 5.903 1.00 74.23 C ATOM 761 OD1 ASP A 54 28.187 -9.010 5.772 1.00 64.14 O ATOM 762 OD2 ASP A 54 26.776 -7.354 6.080 1.00 10.11 O ATOM 0 H ASP A 54 26.679 -11.013 3.845 1.00 5.43 H new ATOM 0 HA ASP A 54 26.983 -11.125 6.777 1.00 44.21 H new ATOM 0 HB2 ASP A 54 25.312 -9.382 4.923 1.00 74.04 H new ATOM 0 HB3 ASP A 54 25.188 -9.340 6.671 1.00 74.04 H new ATOM 767 N GLN A 55 24.760 -12.186 7.327 1.00 35.33 N ATOM 768 CA GLN A 55 23.625 -13.054 7.620 1.00 12.14 C ATOM 769 C GLN A 55 22.354 -12.237 7.829 1.00 42.51 C ATOM 770 O GLN A 55 22.257 -11.450 8.772 1.00 31.42 O ATOM 771 CB GLN A 55 23.910 -13.900 8.862 1.00 24.41 C ATOM 772 CG GLN A 55 25.148 -14.774 8.732 1.00 52.34 C ATOM 773 CD GLN A 55 24.972 -16.135 9.375 1.00 74.35 C ATOM 774 OE1 GLN A 55 24.622 -16.239 10.551 1.00 55.45 O ATOM 775 NE2 GLN A 55 25.214 -17.190 8.605 1.00 54.35 N ATOM 0 H GLN A 55 25.232 -11.815 8.152 1.00 35.33 H new ATOM 0 HA GLN A 55 23.475 -13.714 6.765 1.00 12.14 H new ATOM 0 HB2 GLN A 55 24.030 -13.240 9.721 1.00 24.41 H new ATOM 0 HB3 GLN A 55 23.047 -14.534 9.065 1.00 24.41 H new ATOM 0 HG2 GLN A 55 25.387 -14.903 7.677 1.00 52.34 H new ATOM 0 HG3 GLN A 55 25.996 -14.266 9.191 1.00 52.34 H new ATOM 0 HE21 GLN A 55 25.502 -17.058 7.635 1.00 54.35 H new ATOM 0 HE22 GLN A 55 25.112 -18.132 8.983 1.00 54.35 H new ATOM 784 N LEU A 56 21.383 -12.426 6.943 1.00 33.51 N ATOM 785 CA LEU A 56 20.117 -11.706 7.030 1.00 71.44 C ATOM 786 C LEU A 56 18.952 -12.673 7.213 1.00 74.42 C ATOM 787 O LEU A 56 18.538 -13.350 6.271 1.00 44.22 O ATOM 788 CB LEU A 56 19.901 -10.862 5.772 1.00 30.05 C ATOM 789 CG LEU A 56 20.872 -9.698 5.571 1.00 71.12 C ATOM 790 CD1 LEU A 56 22.204 -10.201 5.035 1.00 13.53 C ATOM 791 CD2 LEU A 56 20.274 -8.661 4.631 1.00 71.52 C ATOM 0 H LEU A 56 21.448 -13.072 6.156 1.00 33.51 H new ATOM 0 HA LEU A 56 20.160 -11.049 7.899 1.00 71.44 H new ATOM 0 HB2 LEU A 56 19.966 -11.517 4.903 1.00 30.05 H new ATOM 0 HB3 LEU A 56 18.887 -10.463 5.796 1.00 30.05 H new ATOM 0 HG LEU A 56 21.048 -9.225 6.537 1.00 71.12 H new ATOM 0 HD11 LEU A 56 22.882 -9.359 4.898 1.00 13.53 H new ATOM 0 HD12 LEU A 56 22.639 -10.906 5.744 1.00 13.53 H new ATOM 0 HD13 LEU A 56 22.046 -10.699 4.078 1.00 13.53 H new ATOM 0 HD21 LEU A 56 20.979 -7.840 4.499 1.00 71.52 H new ATOM 0 HD22 LEU A 56 20.069 -9.121 3.665 1.00 71.52 H new ATOM 0 HD23 LEU A 56 19.346 -8.278 5.055 1.00 71.52 H new ATOM 803 N VAL A 57 18.424 -12.732 8.432 1.00 61.35 N ATOM 804 CA VAL A 57 17.304 -13.614 8.738 1.00 51.21 C ATOM 805 C VAL A 57 16.006 -12.826 8.874 1.00 11.11 C ATOM 806 O VAL A 57 14.947 -13.274 8.435 1.00 72.13 O ATOM 807 CB VAL A 57 17.551 -14.404 10.037 1.00 75.13 C ATOM 808 CG1 VAL A 57 18.562 -15.515 9.802 1.00 62.53 C ATOM 809 CG2 VAL A 57 18.017 -13.473 11.146 1.00 73.31 C ATOM 0 H VAL A 57 18.754 -12.179 9.223 1.00 61.35 H new ATOM 0 HA VAL A 57 17.215 -14.314 7.907 1.00 51.21 H new ATOM 0 HB VAL A 57 16.612 -14.861 10.348 1.00 75.13 H new ATOM 0 HG11 VAL A 57 18.724 -16.062 10.731 1.00 62.53 H new ATOM 0 HG12 VAL A 57 18.183 -16.197 9.041 1.00 62.53 H new ATOM 0 HG13 VAL A 57 19.505 -15.084 9.466 1.00 62.53 H new ATOM 0 HG21 VAL A 57 18.187 -14.048 12.056 1.00 73.31 H new ATOM 0 HG22 VAL A 57 18.945 -12.986 10.846 1.00 73.31 H new ATOM 0 HG23 VAL A 57 17.254 -12.717 11.331 1.00 73.31 H new ATOM 819 N ARG A 58 16.096 -11.649 9.485 1.00 33.24 N ATOM 820 CA ARG A 58 14.928 -10.798 9.680 1.00 30.43 C ATOM 821 C ARG A 58 13.907 -11.477 10.589 1.00 53.42 C ATOM 822 O ARG A 58 12.752 -11.057 10.664 1.00 13.22 O ATOM 823 CB ARG A 58 14.285 -10.462 8.334 1.00 73.54 C ATOM 824 CG ARG A 58 13.594 -9.109 8.309 1.00 3.43 C ATOM 825 CD ARG A 58 12.086 -9.250 8.437 1.00 74.42 C ATOM 826 NE ARG A 58 11.548 -8.427 9.516 1.00 13.50 N ATOM 827 CZ ARG A 58 10.341 -8.601 10.042 1.00 33.55 C ATOM 828 NH1 ARG A 58 9.551 -9.566 9.592 1.00 74.04 N ATOM 829 NH2 ARG A 58 9.922 -7.811 11.023 1.00 41.15 N ATOM 0 H ARG A 58 16.965 -11.263 9.853 1.00 33.24 H new ATOM 0 HA ARG A 58 15.257 -9.875 10.158 1.00 30.43 H new ATOM 0 HB2 ARG A 58 15.052 -10.483 7.560 1.00 73.54 H new ATOM 0 HB3 ARG A 58 13.559 -11.236 8.085 1.00 73.54 H new ATOM 0 HG2 ARG A 58 13.973 -8.491 9.123 1.00 3.43 H new ATOM 0 HG3 ARG A 58 13.834 -8.594 7.379 1.00 3.43 H new ATOM 0 HD2 ARG A 58 11.615 -8.967 7.496 1.00 74.42 H new ATOM 0 HD3 ARG A 58 11.834 -10.295 8.618 1.00 74.42 H new ATOM 0 HE ARG A 58 12.131 -7.677 9.886 1.00 13.50 H new ATOM 0 HH11 ARG A 58 9.870 -10.177 8.840 1.00 74.04 H new ATOM 0 HH12 ARG A 58 8.624 -9.697 9.998 1.00 74.04 H new ATOM 0 HH21 ARG A 58 10.527 -7.069 11.374 1.00 41.15 H new ATOM 0 HH22 ARG A 58 8.995 -7.946 11.426 1.00 41.15 H new ATOM 843 N PHE A 59 14.340 -12.528 11.277 1.00 43.24 N ATOM 844 CA PHE A 59 13.464 -13.265 12.179 1.00 72.41 C ATOM 845 C PHE A 59 14.217 -13.703 13.432 1.00 71.03 C ATOM 846 O PHE A 59 15.292 -14.295 13.347 1.00 22.53 O ATOM 847 CB PHE A 59 12.878 -14.488 11.469 1.00 2.11 C ATOM 848 CG PHE A 59 12.179 -15.441 12.396 1.00 72.14 C ATOM 849 CD1 PHE A 59 11.307 -14.972 13.365 1.00 3.41 C ATOM 850 CD2 PHE A 59 12.392 -16.806 12.297 1.00 64.54 C ATOM 851 CE1 PHE A 59 10.663 -15.847 14.219 1.00 2.43 C ATOM 852 CE2 PHE A 59 11.751 -17.686 13.148 1.00 73.42 C ATOM 853 CZ PHE A 59 10.884 -17.206 14.110 1.00 42.32 C ATOM 0 H PHE A 59 15.293 -12.888 11.227 1.00 43.24 H new ATOM 0 HA PHE A 59 12.652 -12.603 12.478 1.00 72.41 H new ATOM 0 HB2 PHE A 59 12.174 -14.153 10.707 1.00 2.11 H new ATOM 0 HB3 PHE A 59 13.679 -15.017 10.953 1.00 2.11 H new ATOM 0 HD1 PHE A 59 11.129 -13.911 13.454 1.00 3.41 H new ATOM 0 HD2 PHE A 59 13.067 -17.187 11.545 1.00 64.54 H new ATOM 0 HE1 PHE A 59 9.987 -15.468 14.971 1.00 2.43 H new ATOM 0 HE2 PHE A 59 11.928 -18.748 13.061 1.00 73.42 H new ATOM 0 HZ PHE A 59 10.380 -17.892 14.775 1.00 42.32 H new ATOM 863 N ALA A 60 13.644 -13.406 14.593 1.00 11.24 N ATOM 864 CA ALA A 60 14.259 -13.769 15.864 1.00 62.11 C ATOM 865 C ALA A 60 14.637 -15.246 15.888 1.00 21.32 C ATOM 866 O ALA A 60 13.920 -16.089 15.351 1.00 30.54 O ATOM 867 CB ALA A 60 13.321 -13.443 17.017 1.00 64.22 C ATOM 0 H ALA A 60 12.754 -12.915 14.680 1.00 11.24 H new ATOM 0 HA ALA A 60 15.172 -13.185 15.978 1.00 62.11 H new ATOM 0 HB1 ALA A 60 13.793 -13.719 17.960 1.00 64.22 H new ATOM 0 HB2 ALA A 60 13.105 -12.375 17.019 1.00 64.22 H new ATOM 0 HB3 ALA A 60 12.392 -14.001 16.899 1.00 64.22 H new ATOM 873 N GLY A 61 15.769 -15.553 16.515 1.00 44.35 N ATOM 874 CA GLY A 61 16.223 -16.929 16.596 1.00 0.30 C ATOM 875 C GLY A 61 17.345 -17.228 15.622 1.00 4.21 C ATOM 876 O GLY A 61 17.925 -18.314 15.647 1.00 51.15 O ATOM 0 H GLY A 61 16.380 -14.873 16.968 1.00 44.35 H new ATOM 0 HA2 GLY A 61 16.562 -17.137 17.611 1.00 0.30 H new ATOM 0 HA3 GLY A 61 15.385 -17.597 16.396 1.00 0.30 H new ATOM 880 N TYR A 62 17.652 -16.264 14.762 1.00 42.35 N ATOM 881 CA TYR A 62 18.710 -16.431 13.772 1.00 51.41 C ATOM 882 C TYR A 62 18.354 -17.529 12.775 1.00 64.14 C ATOM 883 O TYR A 62 18.992 -18.582 12.738 1.00 35.44 O ATOM 884 CB TYR A 62 20.035 -16.762 14.461 1.00 14.44 C ATOM 885 CG TYR A 62 20.203 -16.089 15.805 1.00 53.42 C ATOM 886 CD1 TYR A 62 19.996 -14.722 15.950 1.00 72.21 C ATOM 887 CD2 TYR A 62 20.569 -16.818 16.929 1.00 62.42 C ATOM 888 CE1 TYR A 62 20.149 -14.103 17.175 1.00 11.32 C ATOM 889 CE2 TYR A 62 20.723 -16.208 18.158 1.00 1.42 C ATOM 890 CZ TYR A 62 20.512 -14.850 18.276 1.00 1.33 C ATOM 891 OH TYR A 62 20.666 -14.237 19.499 1.00 72.30 O ATOM 0 H TYR A 62 17.184 -15.359 14.730 1.00 42.35 H new ATOM 0 HA TYR A 62 18.816 -15.492 13.229 1.00 51.41 H new ATOM 0 HB2 TYR A 62 20.106 -17.842 14.593 1.00 14.44 H new ATOM 0 HB3 TYR A 62 20.857 -16.465 13.810 1.00 14.44 H new ATOM 0 HD1 TYR A 62 19.711 -14.134 15.090 1.00 72.21 H new ATOM 0 HD2 TYR A 62 20.736 -17.881 16.840 1.00 62.42 H new ATOM 0 HE1 TYR A 62 19.985 -13.040 17.270 1.00 11.32 H new ATOM 0 HE2 TYR A 62 21.007 -16.791 19.022 1.00 1.42 H new ATOM 0 HH TYR A 62 20.923 -14.904 20.169 1.00 72.30 H new ATOM 901 N THR A 63 17.331 -17.275 11.964 1.00 24.22 N ATOM 902 CA THR A 63 16.889 -18.241 10.966 1.00 2.31 C ATOM 903 C THR A 63 15.833 -17.637 10.047 1.00 21.13 C ATOM 904 O THR A 63 15.054 -16.778 10.460 1.00 1.14 O ATOM 905 CB THR A 63 16.315 -19.508 11.626 1.00 31.35 C ATOM 906 OG1 THR A 63 15.959 -20.465 10.623 1.00 75.25 O ATOM 907 CG2 THR A 63 15.095 -19.173 12.471 1.00 74.23 C ATOM 0 H THR A 63 16.793 -16.408 11.979 1.00 24.22 H new ATOM 0 HA THR A 63 17.766 -18.513 10.378 1.00 2.31 H new ATOM 0 HB THR A 63 17.081 -19.931 12.275 1.00 31.35 H new ATOM 0 HG1 THR A 63 16.772 -20.866 10.250 1.00 75.25 H new ATOM 0 HG21 THR A 63 14.707 -20.084 12.927 1.00 74.23 H new ATOM 0 HG22 THR A 63 15.376 -18.467 13.253 1.00 74.23 H new ATOM 0 HG23 THR A 63 14.326 -18.728 11.840 1.00 74.23 H new ATOM 915 N VAL A 64 15.812 -18.092 8.799 1.00 75.53 N ATOM 916 CA VAL A 64 14.849 -17.598 7.821 1.00 21.32 C ATOM 917 C VAL A 64 14.481 -18.683 6.815 1.00 20.24 C ATOM 918 O VAL A 64 15.251 -19.616 6.581 1.00 54.32 O ATOM 919 CB VAL A 64 15.397 -16.375 7.063 1.00 63.03 C ATOM 920 CG1 VAL A 64 16.551 -16.780 6.158 1.00 30.50 C ATOM 921 CG2 VAL A 64 14.291 -15.706 6.262 1.00 52.52 C ATOM 0 H VAL A 64 16.451 -18.802 8.441 1.00 75.53 H new ATOM 0 HA VAL A 64 13.958 -17.304 8.375 1.00 21.32 H new ATOM 0 HB VAL A 64 15.773 -15.657 7.791 1.00 63.03 H new ATOM 0 HG11 VAL A 64 16.925 -15.902 5.631 1.00 30.50 H new ATOM 0 HG12 VAL A 64 17.352 -17.210 6.760 1.00 30.50 H new ATOM 0 HG13 VAL A 64 16.204 -17.518 5.434 1.00 30.50 H new ATOM 0 HG21 VAL A 64 14.696 -14.844 5.733 1.00 52.52 H new ATOM 0 HG22 VAL A 64 13.883 -16.415 5.542 1.00 52.52 H new ATOM 0 HG23 VAL A 64 13.500 -15.379 6.937 1.00 52.52 H new ATOM 931 N THR A 65 13.298 -18.556 6.222 1.00 42.21 N ATOM 932 CA THR A 65 12.827 -19.525 5.241 1.00 32.32 C ATOM 933 C THR A 65 13.695 -19.507 3.988 1.00 11.33 C ATOM 934 O THR A 65 14.522 -20.394 3.783 1.00 61.12 O ATOM 935 CB THR A 65 11.364 -19.255 4.842 1.00 12.23 C ATOM 936 OG1 THR A 65 11.013 -17.902 5.156 1.00 74.45 O ATOM 937 CG2 THR A 65 10.422 -20.208 5.562 1.00 74.35 C ATOM 0 H THR A 65 12.648 -17.791 6.404 1.00 42.21 H new ATOM 0 HA THR A 65 12.893 -20.506 5.711 1.00 32.32 H new ATOM 0 HB THR A 65 11.267 -19.416 3.768 1.00 12.23 H new ATOM 0 HG1 THR A 65 10.046 -17.781 5.049 1.00 74.45 H new ATOM 0 HG21 THR A 65 9.395 -19.998 5.264 1.00 74.35 H new ATOM 0 HG22 THR A 65 10.673 -21.236 5.299 1.00 74.35 H new ATOM 0 HG23 THR A 65 10.522 -20.074 6.639 1.00 74.35 H new ATOM 945 N GLU A 66 13.501 -18.490 3.155 1.00 41.54 N ATOM 946 CA GLU A 66 14.268 -18.357 1.921 1.00 13.13 C ATOM 947 C GLU A 66 14.313 -16.902 1.462 1.00 34.24 C ATOM 948 O GLU A 66 13.912 -15.996 2.194 1.00 53.21 O ATOM 949 CB GLU A 66 13.662 -19.232 0.822 1.00 41.44 C ATOM 950 CG GLU A 66 12.303 -18.751 0.341 1.00 21.20 C ATOM 951 CD GLU A 66 11.219 -19.796 0.518 1.00 72.40 C ATOM 952 OE1 GLU A 66 11.104 -20.351 1.631 1.00 44.12 O ATOM 953 OE2 GLU A 66 10.484 -20.059 -0.457 1.00 63.23 O ATOM 0 H GLU A 66 12.820 -17.747 3.311 1.00 41.54 H new ATOM 0 HA GLU A 66 15.287 -18.688 2.119 1.00 13.13 H new ATOM 0 HB2 GLU A 66 14.347 -19.264 -0.025 1.00 41.44 H new ATOM 0 HB3 GLU A 66 13.566 -20.252 1.193 1.00 41.44 H new ATOM 0 HG2 GLU A 66 12.026 -17.850 0.888 1.00 21.20 H new ATOM 0 HG3 GLU A 66 12.370 -18.477 -0.712 1.00 21.20 H new ATOM 960 N LEU A 67 14.804 -16.686 0.247 1.00 34.51 N ATOM 961 CA LEU A 67 14.902 -15.342 -0.311 1.00 21.12 C ATOM 962 C LEU A 67 13.517 -14.742 -0.534 1.00 25.24 C ATOM 963 O LEU A 67 13.333 -13.530 -0.436 1.00 54.51 O ATOM 964 CB LEU A 67 15.676 -15.372 -1.630 1.00 0.51 C ATOM 965 CG LEU A 67 15.220 -16.413 -2.652 1.00 65.33 C ATOM 966 CD1 LEU A 67 14.339 -15.771 -3.712 1.00 70.22 C ATOM 967 CD2 LEU A 67 16.422 -17.091 -3.294 1.00 70.35 C ATOM 0 H LEU A 67 15.141 -17.424 -0.371 1.00 34.51 H new ATOM 0 HA LEU A 67 15.437 -14.717 0.403 1.00 21.12 H new ATOM 0 HB2 LEU A 67 15.608 -14.386 -2.090 1.00 0.51 H new ATOM 0 HB3 LEU A 67 16.728 -15.548 -1.407 1.00 0.51 H new ATOM 0 HG LEU A 67 14.634 -17.171 -2.133 1.00 65.33 H new ATOM 0 HD11 LEU A 67 14.024 -16.528 -4.431 1.00 70.22 H new ATOM 0 HD12 LEU A 67 13.461 -15.333 -3.238 1.00 70.22 H new ATOM 0 HD13 LEU A 67 14.900 -14.992 -4.228 1.00 70.22 H new ATOM 0 HD21 LEU A 67 16.079 -17.829 -4.019 1.00 70.35 H new ATOM 0 HD22 LEU A 67 17.035 -16.344 -3.799 1.00 70.35 H new ATOM 0 HD23 LEU A 67 17.014 -17.586 -2.525 1.00 70.35 H new ATOM 979 N ALA A 68 12.547 -15.600 -0.831 1.00 64.43 N ATOM 980 CA ALA A 68 11.179 -15.156 -1.064 1.00 12.25 C ATOM 981 C ALA A 68 10.636 -14.396 0.142 1.00 4.02 C ATOM 982 O ALA A 68 9.938 -13.394 -0.007 1.00 11.23 O ATOM 983 CB ALA A 68 10.285 -16.344 -1.386 1.00 64.34 C ATOM 0 H ALA A 68 12.684 -16.607 -0.916 1.00 64.43 H new ATOM 0 HA ALA A 68 11.184 -14.478 -1.917 1.00 12.25 H new ATOM 0 HB1 ALA A 68 9.266 -15.997 -1.558 1.00 64.34 H new ATOM 0 HB2 ALA A 68 10.653 -16.844 -2.281 1.00 64.34 H new ATOM 0 HB3 ALA A 68 10.294 -17.043 -0.550 1.00 64.34 H new ATOM 989 N ALA A 69 10.962 -14.880 1.336 1.00 30.13 N ATOM 990 CA ALA A 69 10.508 -14.245 2.568 1.00 63.44 C ATOM 991 C ALA A 69 11.172 -12.887 2.762 1.00 43.53 C ATOM 992 O ALA A 69 10.523 -11.918 3.157 1.00 41.11 O ATOM 993 CB ALA A 69 10.789 -15.147 3.761 1.00 74.35 C ATOM 0 H ALA A 69 11.539 -15.710 1.477 1.00 30.13 H new ATOM 0 HA ALA A 69 9.432 -14.087 2.491 1.00 63.44 H new ATOM 0 HB1 ALA A 69 10.445 -14.661 4.674 1.00 74.35 H new ATOM 0 HB2 ALA A 69 10.263 -16.093 3.634 1.00 74.35 H new ATOM 0 HB3 ALA A 69 11.861 -15.334 3.831 1.00 74.35 H new ATOM 999 N PHE A 70 12.470 -12.822 2.482 1.00 11.11 N ATOM 1000 CA PHE A 70 13.222 -11.581 2.628 1.00 64.32 C ATOM 1001 C PHE A 70 12.775 -10.550 1.596 1.00 5.31 C ATOM 1002 O PHE A 70 12.764 -9.350 1.868 1.00 53.15 O ATOM 1003 CB PHE A 70 14.722 -11.849 2.481 1.00 33.32 C ATOM 1004 CG PHE A 70 15.577 -10.654 2.789 1.00 3.22 C ATOM 1005 CD1 PHE A 70 15.818 -9.690 1.823 1.00 32.11 C ATOM 1006 CD2 PHE A 70 16.140 -10.493 4.045 1.00 64.41 C ATOM 1007 CE1 PHE A 70 16.605 -8.590 2.104 1.00 44.32 C ATOM 1008 CE2 PHE A 70 16.929 -9.395 4.332 1.00 55.44 C ATOM 1009 CZ PHE A 70 17.160 -8.441 3.360 1.00 64.01 C ATOM 0 H PHE A 70 13.022 -13.614 2.153 1.00 11.11 H new ATOM 0 HA PHE A 70 13.027 -11.182 3.623 1.00 64.32 H new ATOM 0 HB2 PHE A 70 15.003 -12.668 3.143 1.00 33.32 H new ATOM 0 HB3 PHE A 70 14.926 -12.179 1.462 1.00 33.32 H new ATOM 0 HD1 PHE A 70 15.386 -9.800 0.839 1.00 32.11 H new ATOM 0 HD2 PHE A 70 15.960 -11.235 4.809 1.00 64.41 H new ATOM 0 HE1 PHE A 70 16.786 -7.847 1.342 1.00 44.32 H new ATOM 0 HE2 PHE A 70 17.364 -9.283 5.314 1.00 55.44 H new ATOM 0 HZ PHE A 70 17.773 -7.580 3.582 1.00 64.01 H new ATOM 1019 N ASN A 71 12.409 -11.027 0.411 1.00 31.11 N ATOM 1020 CA ASN A 71 11.962 -10.147 -0.663 1.00 21.05 C ATOM 1021 C ASN A 71 10.569 -9.598 -0.372 1.00 33.14 C ATOM 1022 O ASN A 71 10.244 -8.469 -0.740 1.00 50.24 O ATOM 1023 CB ASN A 71 11.959 -10.896 -1.996 1.00 70.44 C ATOM 1024 CG ASN A 71 11.722 -9.974 -3.177 1.00 23.40 C ATOM 1025 OD1 ASN A 71 11.993 -8.776 -3.107 1.00 2.44 O ATOM 1026 ND2 ASN A 71 11.214 -10.532 -4.270 1.00 11.40 N ATOM 0 H ASN A 71 12.413 -12.018 0.170 1.00 31.11 H new ATOM 0 HA ASN A 71 12.657 -9.310 -0.726 1.00 21.05 H new ATOM 0 HB2 ASN A 71 12.913 -11.408 -2.124 1.00 70.44 H new ATOM 0 HB3 ASN A 71 11.185 -11.663 -1.977 1.00 70.44 H new ATOM 0 HD21 ASN A 71 11.033 -9.962 -5.097 1.00 11.40 H new ATOM 0 HD22 ASN A 71 11.005 -11.530 -4.283 1.00 11.40 H new ATOM 1033 N THR A 72 9.748 -10.405 0.293 1.00 15.04 N ATOM 1034 CA THR A 72 8.389 -10.001 0.634 1.00 61.42 C ATOM 1035 C THR A 72 8.387 -8.972 1.758 1.00 51.42 C ATOM 1036 O THR A 72 7.673 -7.970 1.695 1.00 63.52 O ATOM 1037 CB THR A 72 7.534 -11.210 1.058 1.00 13.15 C ATOM 1038 OG1 THR A 72 7.509 -12.185 0.010 1.00 21.23 O ATOM 1039 CG2 THR A 72 6.113 -10.778 1.389 1.00 2.15 C ATOM 0 H THR A 72 10.000 -11.342 0.606 1.00 15.04 H new ATOM 0 HA THR A 72 7.957 -9.556 -0.262 1.00 61.42 H new ATOM 0 HB THR A 72 7.982 -11.648 1.950 1.00 13.15 H new ATOM 0 HG1 THR A 72 8.374 -12.645 -0.030 1.00 21.23 H new ATOM 0 HG21 THR A 72 5.528 -11.648 1.686 1.00 2.15 H new ATOM 0 HG22 THR A 72 6.133 -10.058 2.207 1.00 2.15 H new ATOM 0 HG23 THR A 72 5.659 -10.318 0.512 1.00 2.15 H new ATOM 1047 N VAL A 73 9.190 -9.223 2.786 1.00 25.34 N ATOM 1048 CA VAL A 73 9.282 -8.317 3.924 1.00 4.54 C ATOM 1049 C VAL A 73 9.886 -6.978 3.513 1.00 32.23 C ATOM 1050 O VAL A 73 9.402 -5.918 3.911 1.00 74.34 O ATOM 1051 CB VAL A 73 10.130 -8.923 5.058 1.00 5.02 C ATOM 1052 CG1 VAL A 73 9.429 -10.130 5.663 1.00 42.32 C ATOM 1053 CG2 VAL A 73 11.512 -9.300 4.546 1.00 63.20 C ATOM 0 H VAL A 73 9.787 -10.047 2.854 1.00 25.34 H new ATOM 0 HA VAL A 73 8.266 -8.159 4.285 1.00 4.54 H new ATOM 0 HB VAL A 73 10.249 -8.173 5.840 1.00 5.02 H new ATOM 0 HG11 VAL A 73 10.043 -10.545 6.462 1.00 42.32 H new ATOM 0 HG12 VAL A 73 8.464 -9.825 6.068 1.00 42.32 H new ATOM 0 HG13 VAL A 73 9.277 -10.886 4.893 1.00 42.32 H new ATOM 0 HG21 VAL A 73 12.098 -9.727 5.360 1.00 63.20 H new ATOM 0 HG22 VAL A 73 11.416 -10.033 3.745 1.00 63.20 H new ATOM 0 HG23 VAL A 73 12.014 -8.411 4.165 1.00 63.20 H new ATOM 1063 N VAL A 74 10.947 -7.034 2.714 1.00 14.11 N ATOM 1064 CA VAL A 74 11.616 -5.826 2.247 1.00 42.00 C ATOM 1065 C VAL A 74 10.735 -5.051 1.274 1.00 43.33 C ATOM 1066 O VAL A 74 10.720 -3.820 1.280 1.00 71.34 O ATOM 1067 CB VAL A 74 12.954 -6.156 1.560 1.00 65.22 C ATOM 1068 CG1 VAL A 74 12.717 -6.937 0.276 1.00 44.52 C ATOM 1069 CG2 VAL A 74 13.739 -4.883 1.282 1.00 12.42 C ATOM 0 H VAL A 74 11.361 -7.903 2.377 1.00 14.11 H new ATOM 0 HA VAL A 74 11.809 -5.211 3.126 1.00 42.00 H new ATOM 0 HB VAL A 74 13.543 -6.779 2.233 1.00 65.22 H new ATOM 0 HG11 VAL A 74 13.674 -7.161 -0.195 1.00 44.52 H new ATOM 0 HG12 VAL A 74 12.199 -7.868 0.507 1.00 44.52 H new ATOM 0 HG13 VAL A 74 12.108 -6.342 -0.405 1.00 44.52 H new ATOM 0 HG21 VAL A 74 14.682 -5.136 0.796 1.00 12.42 H new ATOM 0 HG22 VAL A 74 13.157 -4.232 0.629 1.00 12.42 H new ATOM 0 HG23 VAL A 74 13.941 -4.368 2.221 1.00 12.42 H new ATOM 1079 N ALA A 75 10.002 -5.780 0.438 1.00 2.55 N ATOM 1080 CA ALA A 75 9.116 -5.160 -0.539 1.00 62.55 C ATOM 1081 C ALA A 75 7.878 -4.578 0.133 1.00 34.20 C ATOM 1082 O ALA A 75 7.436 -3.479 -0.203 1.00 60.21 O ATOM 1083 CB ALA A 75 8.715 -6.172 -1.603 1.00 43.11 C ATOM 0 H ALA A 75 10.005 -6.800 0.418 1.00 2.55 H new ATOM 0 HA ALA A 75 9.656 -4.342 -1.015 1.00 62.55 H new ATOM 0 HB1 ALA A 75 8.053 -5.696 -2.327 1.00 43.11 H new ATOM 0 HB2 ALA A 75 9.607 -6.537 -2.112 1.00 43.11 H new ATOM 0 HB3 ALA A 75 8.197 -7.008 -1.133 1.00 43.11 H new ATOM 1089 N ARG A 76 7.321 -5.322 1.084 1.00 42.24 N ATOM 1090 CA ARG A 76 6.132 -4.880 1.802 1.00 41.53 C ATOM 1091 C ARG A 76 6.328 -3.475 2.364 1.00 12.33 C ATOM 1092 O ARG A 76 5.383 -2.688 2.441 1.00 24.12 O ATOM 1093 CB ARG A 76 5.803 -5.853 2.935 1.00 61.00 C ATOM 1094 CG ARG A 76 4.860 -6.972 2.522 1.00 4.35 C ATOM 1095 CD ARG A 76 3.457 -6.449 2.257 1.00 4.44 C ATOM 1096 NE ARG A 76 2.435 -7.287 2.877 1.00 15.44 N ATOM 1097 CZ ARG A 76 2.139 -8.513 2.463 1.00 71.43 C ATOM 1098 NH1 ARG A 76 2.785 -9.042 1.433 1.00 63.40 N ATOM 1099 NH2 ARG A 76 1.195 -9.214 3.079 1.00 42.14 N ATOM 0 H ARG A 76 7.675 -6.234 1.375 1.00 42.24 H new ATOM 0 HA ARG A 76 5.300 -4.859 1.098 1.00 41.53 H new ATOM 0 HB2 ARG A 76 6.729 -6.289 3.308 1.00 61.00 H new ATOM 0 HB3 ARG A 76 5.356 -5.299 3.760 1.00 61.00 H new ATOM 0 HG2 ARG A 76 5.243 -7.460 1.626 1.00 4.35 H new ATOM 0 HG3 ARG A 76 4.825 -7.728 3.306 1.00 4.35 H new ATOM 0 HD2 ARG A 76 3.371 -5.431 2.638 1.00 4.44 H new ATOM 0 HD3 ARG A 76 3.284 -6.402 1.182 1.00 4.44 H new ATOM 0 HE ARG A 76 1.920 -6.910 3.672 1.00 15.44 H new ATOM 0 HH11 ARG A 76 3.511 -8.507 0.957 1.00 63.40 H new ATOM 0 HH12 ARG A 76 2.556 -9.984 1.117 1.00 63.40 H new ATOM 0 HH21 ARG A 76 0.696 -8.811 3.872 1.00 42.14 H new ATOM 0 HH22 ARG A 76 0.969 -10.156 2.760 1.00 42.14 H new ATOM 1113 N HIS A 77 7.560 -3.166 2.757 1.00 32.40 N ATOM 1114 CA HIS A 77 7.880 -1.856 3.313 1.00 74.23 C ATOM 1115 C HIS A 77 8.685 -1.026 2.318 1.00 61.02 C ATOM 1116 O HIS A 77 9.865 -1.290 2.085 1.00 73.23 O ATOM 1117 CB HIS A 77 8.661 -2.009 4.618 1.00 64.43 C ATOM 1118 CG HIS A 77 8.094 -3.046 5.538 1.00 14.30 C ATOM 1119 ND1 HIS A 77 8.841 -4.083 6.056 1.00 15.52 N ATOM 1120 CD2 HIS A 77 6.844 -3.200 6.034 1.00 54.01 C ATOM 1121 CE1 HIS A 77 8.074 -4.831 6.830 1.00 42.34 C ATOM 1122 NE2 HIS A 77 6.858 -4.316 6.833 1.00 34.35 N ATOM 0 H HIS A 77 8.353 -3.805 2.701 1.00 32.40 H new ATOM 0 HA HIS A 77 6.944 -1.337 3.518 1.00 74.23 H new ATOM 0 HB2 HIS A 77 9.694 -2.268 4.385 1.00 64.43 H new ATOM 0 HB3 HIS A 77 8.681 -1.049 5.134 1.00 64.43 H new ATOM 0 HD2 HIS A 77 5.994 -2.563 5.838 1.00 54.01 H new ATOM 0 HE1 HIS A 77 8.388 -5.713 7.368 1.00 42.34 H new ATOM 0 HE2 HIS A 77 6.059 -4.687 7.346 1.00 34.35 H new ATOM 1130 N VAL A 78 8.040 -0.022 1.733 1.00 13.32 N ATOM 1131 CA VAL A 78 8.696 0.847 0.764 1.00 51.43 C ATOM 1132 C VAL A 78 8.567 2.313 1.164 1.00 71.14 C ATOM 1133 O VAL A 78 8.345 3.180 0.319 1.00 52.24 O ATOM 1134 CB VAL A 78 8.108 0.658 -0.648 1.00 5.15 C ATOM 1135 CG1 VAL A 78 8.287 -0.779 -1.112 1.00 32.31 C ATOM 1136 CG2 VAL A 78 6.641 1.056 -0.671 1.00 15.50 C ATOM 0 H VAL A 78 7.063 0.210 1.914 1.00 13.32 H new ATOM 0 HA VAL A 78 9.750 0.568 0.751 1.00 51.43 H new ATOM 0 HB VAL A 78 8.647 1.307 -1.338 1.00 5.15 H new ATOM 0 HG11 VAL A 78 7.866 -0.894 -2.111 1.00 32.31 H new ATOM 0 HG12 VAL A 78 9.349 -1.024 -1.135 1.00 32.31 H new ATOM 0 HG13 VAL A 78 7.775 -1.450 -0.423 1.00 32.31 H new ATOM 0 HG21 VAL A 78 6.242 0.916 -1.676 1.00 15.50 H new ATOM 0 HG22 VAL A 78 6.084 0.434 0.030 1.00 15.50 H new ATOM 0 HG23 VAL A 78 6.544 2.103 -0.384 1.00 15.50 H new ATOM 1146 N ARG A 79 8.708 2.582 2.457 1.00 2.13 N ATOM 1147 CA ARG A 79 8.607 3.943 2.970 1.00 52.20 C ATOM 1148 C ARG A 79 9.895 4.719 2.712 1.00 63.31 C ATOM 1149 O ARG A 79 10.957 4.144 2.472 1.00 62.05 O ATOM 1150 CB ARG A 79 8.301 3.925 4.469 1.00 64.12 C ATOM 1151 CG ARG A 79 6.873 4.321 4.804 1.00 32.12 C ATOM 1152 CD ARG A 79 6.025 3.107 5.152 1.00 43.03 C ATOM 1153 NE ARG A 79 4.609 3.444 5.269 1.00 21.15 N ATOM 1154 CZ ARG A 79 3.631 2.549 5.182 1.00 41.34 C ATOM 1155 NH1 ARG A 79 3.915 1.270 4.977 1.00 55.44 N ATOM 1156 NH2 ARG A 79 2.366 2.933 5.299 1.00 4.33 N ATOM 0 H ARG A 79 8.893 1.875 3.169 1.00 2.13 H new ATOM 0 HA ARG A 79 7.792 4.442 2.446 1.00 52.20 H new ATOM 0 HB2 ARG A 79 8.493 2.925 4.858 1.00 64.12 H new ATOM 0 HB3 ARG A 79 8.986 4.602 4.979 1.00 64.12 H new ATOM 0 HG2 ARG A 79 6.875 5.017 5.642 1.00 32.12 H new ATOM 0 HG3 ARG A 79 6.431 4.844 3.956 1.00 32.12 H new ATOM 0 HD2 ARG A 79 6.154 2.343 4.385 1.00 43.03 H new ATOM 0 HD3 ARG A 79 6.374 2.678 6.091 1.00 43.03 H new ATOM 0 HE ARG A 79 4.357 4.420 5.426 1.00 21.15 H new ATOM 0 HH11 ARG A 79 4.886 0.971 4.886 1.00 55.44 H new ATOM 0 HH12 ARG A 79 3.162 0.585 4.911 1.00 55.44 H new ATOM 0 HH21 ARG A 79 2.144 3.916 5.456 1.00 4.33 H new ATOM 0 HH22 ARG A 79 1.616 2.245 5.232 1.00 4.33 H new ATOM 1170 N PRO A 80 9.802 6.056 2.762 1.00 74.21 N ATOM 1171 CA PRO A 80 10.950 6.939 2.536 1.00 32.22 C ATOM 1172 C PRO A 80 11.966 6.870 3.671 1.00 60.30 C ATOM 1173 O PRO A 80 13.036 7.474 3.596 1.00 21.42 O ATOM 1174 CB PRO A 80 10.318 8.331 2.468 1.00 2.51 C ATOM 1175 CG PRO A 80 9.058 8.215 3.253 1.00 34.44 C ATOM 1176 CD PRO A 80 8.568 6.809 3.043 1.00 34.41 C ATOM 0 HA PRO A 80 11.506 6.664 1.640 1.00 32.22 H new ATOM 0 HB2 PRO A 80 10.980 9.087 2.891 1.00 2.51 H new ATOM 0 HB3 PRO A 80 10.117 8.624 1.438 1.00 2.51 H new ATOM 0 HG2 PRO A 80 9.237 8.412 4.310 1.00 34.44 H new ATOM 0 HG3 PRO A 80 8.319 8.941 2.914 1.00 34.44 H new ATOM 0 HD2 PRO A 80 8.056 6.426 3.926 1.00 34.41 H new ATOM 0 HD3 PRO A 80 7.863 6.749 2.214 1.00 34.41 H new ATOM 1184 N SER A 81 11.625 6.130 4.721 1.00 75.52 N ATOM 1185 CA SER A 81 12.506 5.984 5.873 1.00 4.41 C ATOM 1186 C SER A 81 11.885 5.065 6.920 1.00 10.34 C ATOM 1187 O SER A 81 11.754 5.435 8.087 1.00 70.31 O ATOM 1188 CB SER A 81 12.803 7.352 6.490 1.00 2.44 C ATOM 1189 OG SER A 81 14.126 7.408 6.995 1.00 44.03 O ATOM 0 H SER A 81 10.744 5.622 4.797 1.00 75.52 H new ATOM 0 HA SER A 81 13.439 5.537 5.531 1.00 4.41 H new ATOM 0 HB2 SER A 81 12.664 8.131 5.740 1.00 2.44 H new ATOM 0 HB3 SER A 81 12.095 7.553 7.294 1.00 2.44 H new ATOM 0 HG SER A 81 14.291 8.293 7.382 1.00 44.03 H new ATOM 1195 N ALA A 82 11.504 3.866 6.494 1.00 31.42 N ATOM 1196 CA ALA A 82 10.898 2.892 7.394 1.00 1.01 C ATOM 1197 C ALA A 82 11.961 2.161 8.208 1.00 54.12 C ATOM 1198 O ALA A 82 12.948 1.671 7.660 1.00 73.14 O ATOM 1199 CB ALA A 82 10.057 1.898 6.607 1.00 14.13 C ATOM 0 H ALA A 82 11.604 3.545 5.531 1.00 31.42 H new ATOM 0 HA ALA A 82 10.251 3.429 8.088 1.00 1.01 H new ATOM 0 HB1 ALA A 82 9.611 1.177 7.292 1.00 14.13 H new ATOM 0 HB2 ALA A 82 9.268 2.430 6.075 1.00 14.13 H new ATOM 0 HB3 ALA A 82 10.689 1.374 5.890 1.00 14.13 H new ATOM 1205 N SER A 83 11.752 2.093 9.519 1.00 62.52 N ATOM 1206 CA SER A 83 12.695 1.425 10.409 1.00 40.12 C ATOM 1207 C SER A 83 12.136 0.089 10.889 1.00 0.44 C ATOM 1208 O SER A 83 11.237 0.047 11.730 1.00 24.22 O ATOM 1209 CB SER A 83 13.016 2.318 11.609 1.00 54.21 C ATOM 1210 OG SER A 83 12.025 3.317 11.780 1.00 3.13 O ATOM 0 H SER A 83 10.939 2.492 9.988 1.00 62.52 H new ATOM 0 HA SER A 83 13.612 1.235 9.851 1.00 40.12 H new ATOM 0 HB2 SER A 83 13.084 1.710 12.511 1.00 54.21 H new ATOM 0 HB3 SER A 83 13.990 2.787 11.467 1.00 54.21 H new ATOM 0 HG SER A 83 12.252 3.874 12.554 1.00 3.13 H new ATOM 1216 N ILE A 84 12.674 -0.999 10.349 1.00 4.33 N ATOM 1217 CA ILE A 84 12.231 -2.336 10.723 1.00 11.11 C ATOM 1218 C ILE A 84 13.347 -3.113 11.413 1.00 42.40 C ATOM 1219 O ILE A 84 14.485 -3.160 10.945 1.00 21.02 O ATOM 1220 CB ILE A 84 11.749 -3.133 9.496 1.00 13.54 C ATOM 1221 CG1 ILE A 84 11.187 -4.488 9.930 1.00 53.00 C ATOM 1222 CG2 ILE A 84 12.887 -3.318 8.504 1.00 2.14 C ATOM 1223 CD1 ILE A 84 10.732 -5.351 8.774 1.00 24.50 C ATOM 0 H ILE A 84 13.417 -0.981 9.651 1.00 4.33 H new ATOM 0 HA ILE A 84 11.398 -2.210 11.415 1.00 11.11 H new ATOM 0 HB ILE A 84 10.954 -2.571 9.005 1.00 13.54 H new ATOM 0 HG12 ILE A 84 11.949 -5.024 10.495 1.00 53.00 H new ATOM 0 HG13 ILE A 84 10.346 -4.325 10.604 1.00 53.00 H new ATOM 0 HG21 ILE A 84 12.531 -3.883 7.643 1.00 2.14 H new ATOM 0 HG22 ILE A 84 13.245 -2.342 8.175 1.00 2.14 H new ATOM 0 HG23 ILE A 84 13.702 -3.861 8.982 1.00 2.14 H new ATOM 0 HD11 ILE A 84 10.345 -6.296 9.156 1.00 24.50 H new ATOM 0 HD12 ILE A 84 9.947 -4.835 8.221 1.00 24.50 H new ATOM 0 HD13 ILE A 84 11.575 -5.545 8.111 1.00 24.50 H new ATOM 1235 N PRO A 85 13.016 -3.739 12.552 1.00 0.51 N ATOM 1236 CA PRO A 85 13.976 -4.527 13.330 1.00 62.20 C ATOM 1237 C PRO A 85 14.375 -5.817 12.622 1.00 30.50 C ATOM 1238 O PRO A 85 13.543 -6.696 12.396 1.00 52.04 O ATOM 1239 CB PRO A 85 13.216 -4.839 14.621 1.00 15.23 C ATOM 1240 CG PRO A 85 11.777 -4.777 14.238 1.00 23.00 C ATOM 1241 CD PRO A 85 11.679 -3.725 13.168 1.00 34.01 C ATOM 0 HA PRO A 85 14.911 -3.989 13.489 1.00 62.20 H new ATOM 0 HB2 PRO A 85 13.481 -5.823 15.008 1.00 15.23 H new ATOM 0 HB3 PRO A 85 13.449 -4.116 15.402 1.00 15.23 H new ATOM 0 HG2 PRO A 85 11.429 -5.742 13.870 1.00 23.00 H new ATOM 0 HG3 PRO A 85 11.155 -4.520 15.096 1.00 23.00 H new ATOM 0 HD2 PRO A 85 10.900 -3.961 12.443 1.00 34.01 H new ATOM 0 HD3 PRO A 85 11.440 -2.747 13.586 1.00 34.01 H new ATOM 1249 N VAL A 86 15.654 -5.926 12.275 1.00 55.23 N ATOM 1250 CA VAL A 86 16.163 -7.110 11.594 1.00 41.03 C ATOM 1251 C VAL A 86 17.340 -7.715 12.350 1.00 21.33 C ATOM 1252 O VAL A 86 18.246 -7.003 12.784 1.00 34.12 O ATOM 1253 CB VAL A 86 16.605 -6.783 10.155 1.00 62.31 C ATOM 1254 CG1 VAL A 86 17.182 -8.018 9.480 1.00 62.31 C ATOM 1255 CG2 VAL A 86 15.439 -6.223 9.354 1.00 64.41 C ATOM 0 H VAL A 86 16.356 -5.208 12.455 1.00 55.23 H new ATOM 0 HA VAL A 86 15.347 -7.832 11.561 1.00 41.03 H new ATOM 0 HB VAL A 86 17.385 -6.023 10.197 1.00 62.31 H new ATOM 0 HG11 VAL A 86 17.489 -7.768 8.464 1.00 62.31 H new ATOM 0 HG12 VAL A 86 18.046 -8.371 10.044 1.00 62.31 H new ATOM 0 HG13 VAL A 86 16.425 -8.802 9.448 1.00 62.31 H new ATOM 0 HG21 VAL A 86 15.769 -5.998 8.340 1.00 64.41 H new ATOM 0 HG22 VAL A 86 14.635 -6.958 9.319 1.00 64.41 H new ATOM 0 HG23 VAL A 86 15.076 -5.311 9.829 1.00 64.41 H new ATOM 1265 N VAL A 87 17.321 -9.035 12.505 1.00 62.41 N ATOM 1266 CA VAL A 87 18.388 -9.738 13.208 1.00 71.10 C ATOM 1267 C VAL A 87 19.502 -10.146 12.250 1.00 35.22 C ATOM 1268 O VAL A 87 19.251 -10.774 11.221 1.00 21.33 O ATOM 1269 CB VAL A 87 17.856 -10.994 13.924 1.00 11.31 C ATOM 1270 CG1 VAL A 87 18.941 -11.614 14.792 1.00 54.24 C ATOM 1271 CG2 VAL A 87 16.628 -10.653 14.754 1.00 14.13 C ATOM 0 H VAL A 87 16.578 -9.639 12.153 1.00 62.41 H new ATOM 0 HA VAL A 87 18.787 -9.047 13.951 1.00 71.10 H new ATOM 0 HB VAL A 87 17.565 -11.726 13.170 1.00 11.31 H new ATOM 0 HG11 VAL A 87 18.547 -12.500 15.290 1.00 54.24 H new ATOM 0 HG12 VAL A 87 19.789 -11.896 14.168 1.00 54.24 H new ATOM 0 HG13 VAL A 87 19.265 -10.891 15.541 1.00 54.24 H new ATOM 0 HG21 VAL A 87 16.265 -11.552 15.253 1.00 14.13 H new ATOM 0 HG22 VAL A 87 16.890 -9.904 15.501 1.00 14.13 H new ATOM 0 HG23 VAL A 87 15.847 -10.259 14.104 1.00 14.13 H new ATOM 1281 N PHE A 88 20.733 -9.785 12.595 1.00 21.54 N ATOM 1282 CA PHE A 88 21.887 -10.114 11.766 1.00 53.41 C ATOM 1283 C PHE A 88 22.928 -10.891 12.565 1.00 32.44 C ATOM 1284 O PHE A 88 23.031 -10.741 13.783 1.00 51.12 O ATOM 1285 CB PHE A 88 22.512 -8.838 11.198 1.00 61.15 C ATOM 1286 CG PHE A 88 23.988 -8.729 11.452 1.00 23.34 C ATOM 1287 CD1 PHE A 88 24.901 -9.254 10.552 1.00 71.24 C ATOM 1288 CD2 PHE A 88 24.463 -8.103 12.593 1.00 4.42 C ATOM 1289 CE1 PHE A 88 26.260 -9.156 10.783 1.00 40.40 C ATOM 1290 CE2 PHE A 88 25.821 -8.001 12.830 1.00 43.54 C ATOM 1291 CZ PHE A 88 26.721 -8.529 11.924 1.00 13.31 C ATOM 0 H PHE A 88 20.958 -9.264 13.443 1.00 21.54 H new ATOM 0 HA PHE A 88 21.545 -10.742 10.943 1.00 53.41 H new ATOM 0 HB2 PHE A 88 22.333 -8.802 10.123 1.00 61.15 H new ATOM 0 HB3 PHE A 88 22.012 -7.973 11.633 1.00 61.15 H new ATOM 0 HD1 PHE A 88 24.546 -9.746 9.659 1.00 71.24 H new ATOM 0 HD2 PHE A 88 23.764 -7.690 13.305 1.00 4.42 H new ATOM 0 HE1 PHE A 88 26.961 -9.569 10.072 1.00 40.40 H new ATOM 0 HE2 PHE A 88 26.178 -7.509 13.723 1.00 43.54 H new ATOM 0 HZ PHE A 88 27.782 -8.452 12.108 1.00 13.31 H new ATOM 1301 N SER A 89 23.697 -11.724 11.871 1.00 22.05 N ATOM 1302 CA SER A 89 24.728 -12.529 12.516 1.00 33.52 C ATOM 1303 C SER A 89 26.030 -12.481 11.723 1.00 23.14 C ATOM 1304 O SER A 89 26.020 -12.372 10.497 1.00 13.42 O ATOM 1305 CB SER A 89 24.258 -13.978 12.659 1.00 73.43 C ATOM 1306 OG SER A 89 23.805 -14.240 13.976 1.00 73.44 O ATOM 0 H SER A 89 23.626 -11.859 10.863 1.00 22.05 H new ATOM 0 HA SER A 89 24.911 -12.114 13.507 1.00 33.52 H new ATOM 0 HB2 SER A 89 23.455 -14.175 11.949 1.00 73.43 H new ATOM 0 HB3 SER A 89 25.076 -14.655 12.411 1.00 73.43 H new ATOM 0 HG SER A 89 24.574 -14.303 14.580 1.00 73.44 H new ATOM 1312 N ARG A 90 27.151 -12.564 12.433 1.00 50.50 N ATOM 1313 CA ARG A 90 28.462 -12.528 11.797 1.00 44.00 C ATOM 1314 C ARG A 90 29.231 -13.819 12.064 1.00 43.40 C ATOM 1315 O ARG A 90 30.180 -13.837 12.849 1.00 54.12 O ATOM 1316 CB ARG A 90 29.266 -11.329 12.303 1.00 1.14 C ATOM 1317 CG ARG A 90 30.447 -10.969 11.417 1.00 22.10 C ATOM 1318 CD ARG A 90 30.979 -9.580 11.734 1.00 30.22 C ATOM 1319 NE ARG A 90 31.153 -8.773 10.530 1.00 40.41 N ATOM 1320 CZ ARG A 90 31.661 -7.545 10.535 1.00 31.12 C ATOM 1321 NH1 ARG A 90 32.043 -6.987 11.676 1.00 61.24 N ATOM 1322 NH2 ARG A 90 31.788 -6.873 9.398 1.00 73.41 N ATOM 0 H ARG A 90 27.177 -12.657 13.448 1.00 50.50 H new ATOM 0 HA ARG A 90 28.314 -12.429 10.722 1.00 44.00 H new ATOM 0 HB2 ARG A 90 28.605 -10.466 12.381 1.00 1.14 H new ATOM 0 HB3 ARG A 90 29.629 -11.544 13.308 1.00 1.14 H new ATOM 0 HG2 ARG A 90 31.241 -11.703 11.552 1.00 22.10 H new ATOM 0 HG3 ARG A 90 30.145 -11.014 10.371 1.00 22.10 H new ATOM 0 HD2 ARG A 90 30.292 -9.075 12.413 1.00 30.22 H new ATOM 0 HD3 ARG A 90 31.933 -9.667 12.253 1.00 30.22 H new ATOM 0 HE ARG A 90 30.869 -9.174 9.636 1.00 40.41 H new ATOM 0 HH11 ARG A 90 31.947 -7.501 12.552 1.00 61.24 H new ATOM 0 HH12 ARG A 90 32.433 -6.044 11.677 1.00 61.24 H new ATOM 0 HH21 ARG A 90 31.496 -7.299 8.519 1.00 73.41 H new ATOM 0 HH22 ARG A 90 32.178 -5.931 9.403 1.00 73.41 H new ATOM 1336 N ASP A 91 28.815 -14.896 11.407 1.00 44.54 N ATOM 1337 CA ASP A 91 29.465 -16.191 11.572 1.00 10.43 C ATOM 1338 C ASP A 91 29.313 -16.696 13.004 1.00 52.24 C ATOM 1339 O ASP A 91 30.293 -17.058 13.652 1.00 22.33 O ATOM 1340 CB ASP A 91 30.947 -16.092 11.208 1.00 61.11 C ATOM 1341 CG ASP A 91 31.205 -15.092 10.098 1.00 23.01 C ATOM 1342 OD1 ASP A 91 30.672 -15.289 8.987 1.00 74.14 O ATOM 1343 OD2 ASP A 91 31.942 -14.113 10.341 1.00 54.22 O ATOM 0 H ASP A 91 28.031 -14.898 10.755 1.00 44.54 H new ATOM 0 HA ASP A 91 28.981 -16.901 10.901 1.00 10.43 H new ATOM 0 HB2 ASP A 91 31.517 -15.805 12.092 1.00 61.11 H new ATOM 0 HB3 ASP A 91 31.309 -17.073 10.901 1.00 61.11 H new ATOM 1348 N GLY A 92 28.076 -16.716 13.491 1.00 54.53 N ATOM 1349 CA GLY A 92 27.818 -17.177 14.842 1.00 12.54 C ATOM 1350 C GLY A 92 27.619 -16.033 15.817 1.00 2.20 C ATOM 1351 O GLY A 92 27.047 -16.215 16.892 1.00 65.51 O ATOM 0 H GLY A 92 27.248 -16.421 12.974 1.00 54.53 H new ATOM 0 HA2 GLY A 92 26.931 -17.810 14.843 1.00 12.54 H new ATOM 0 HA3 GLY A 92 28.651 -17.795 15.177 1.00 12.54 H new ATOM 1355 N VAL A 93 28.094 -14.849 15.443 1.00 40.14 N ATOM 1356 CA VAL A 93 27.966 -13.671 16.292 1.00 44.32 C ATOM 1357 C VAL A 93 26.513 -13.221 16.393 1.00 42.23 C ATOM 1358 O VAL A 93 25.748 -13.338 15.436 1.00 73.43 O ATOM 1359 CB VAL A 93 28.818 -12.502 15.762 1.00 25.11 C ATOM 1360 CG1 VAL A 93 28.687 -11.290 16.672 1.00 64.11 C ATOM 1361 CG2 VAL A 93 30.274 -12.923 15.627 1.00 1.13 C ATOM 0 H VAL A 93 28.571 -14.681 14.557 1.00 40.14 H new ATOM 0 HA VAL A 93 28.325 -13.954 17.281 1.00 44.32 H new ATOM 0 HB VAL A 93 28.450 -12.226 14.774 1.00 25.11 H new ATOM 0 HG11 VAL A 93 29.296 -10.474 16.282 1.00 64.11 H new ATOM 0 HG12 VAL A 93 27.644 -10.977 16.713 1.00 64.11 H new ATOM 0 HG13 VAL A 93 29.027 -11.549 17.674 1.00 64.11 H new ATOM 0 HG21 VAL A 93 30.862 -12.085 15.251 1.00 1.13 H new ATOM 0 HG22 VAL A 93 30.657 -13.227 16.601 1.00 1.13 H new ATOM 0 HG23 VAL A 93 30.348 -13.759 14.931 1.00 1.13 H new ATOM 1371 N VAL A 94 26.139 -12.704 17.559 1.00 70.21 N ATOM 1372 CA VAL A 94 24.777 -12.234 17.785 1.00 24.52 C ATOM 1373 C VAL A 94 24.741 -10.721 17.969 1.00 63.43 C ATOM 1374 O VAL A 94 25.263 -10.193 18.950 1.00 13.40 O ATOM 1375 CB VAL A 94 24.150 -12.906 19.022 1.00 44.43 C ATOM 1376 CG1 VAL A 94 22.795 -12.290 19.334 1.00 1.32 C ATOM 1377 CG2 VAL A 94 24.027 -14.407 18.807 1.00 15.54 C ATOM 0 H VAL A 94 26.760 -12.600 18.362 1.00 70.21 H new ATOM 0 HA VAL A 94 24.198 -12.503 16.901 1.00 24.52 H new ATOM 0 HB VAL A 94 24.804 -12.737 19.877 1.00 44.43 H new ATOM 0 HG11 VAL A 94 22.367 -12.777 20.210 1.00 1.32 H new ATOM 0 HG12 VAL A 94 22.917 -11.225 19.533 1.00 1.32 H new ATOM 0 HG13 VAL A 94 22.129 -12.426 18.482 1.00 1.32 H new ATOM 0 HG21 VAL A 94 23.582 -14.866 19.690 1.00 15.54 H new ATOM 0 HG22 VAL A 94 23.394 -14.600 17.940 1.00 15.54 H new ATOM 0 HG23 VAL A 94 25.016 -14.832 18.636 1.00 15.54 H new ATOM 1387 N MET A 95 24.122 -10.030 17.018 1.00 71.24 N ATOM 1388 CA MET A 95 24.016 -8.577 17.075 1.00 2.25 C ATOM 1389 C MET A 95 22.725 -8.099 16.419 1.00 33.13 C ATOM 1390 O MET A 95 22.196 -8.753 15.520 1.00 13.52 O ATOM 1391 CB MET A 95 25.220 -7.929 16.390 1.00 45.24 C ATOM 1392 CG MET A 95 25.221 -6.411 16.470 1.00 42.14 C ATOM 1393 SD MET A 95 25.294 -5.805 18.166 1.00 4.32 S ATOM 1394 CE MET A 95 25.071 -4.046 17.907 1.00 25.54 C ATOM 0 H MET A 95 23.686 -10.453 16.198 1.00 71.24 H new ATOM 0 HA MET A 95 24.001 -8.280 18.124 1.00 2.25 H new ATOM 0 HB2 MET A 95 26.135 -8.309 16.845 1.00 45.24 H new ATOM 0 HB3 MET A 95 25.237 -8.229 15.342 1.00 45.24 H new ATOM 0 HG2 MET A 95 26.073 -6.022 15.912 1.00 42.14 H new ATOM 0 HG3 MET A 95 24.322 -6.025 15.989 1.00 42.14 H new ATOM 0 HE1 MET A 95 25.093 -3.531 18.868 1.00 25.54 H new ATOM 0 HE2 MET A 95 25.873 -3.667 17.274 1.00 25.54 H new ATOM 0 HE3 MET A 95 24.111 -3.868 17.422 1.00 25.54 H new ATOM 1404 N SER A 96 22.222 -6.956 16.875 1.00 22.00 N ATOM 1405 CA SER A 96 20.990 -6.393 16.335 1.00 62.33 C ATOM 1406 C SER A 96 21.279 -5.140 15.515 1.00 44.42 C ATOM 1407 O SER A 96 22.076 -4.292 15.916 1.00 24.34 O ATOM 1408 CB SER A 96 20.016 -6.062 17.467 1.00 21.51 C ATOM 1409 OG SER A 96 20.710 -5.780 18.670 1.00 14.21 O ATOM 0 H SER A 96 22.649 -6.402 17.617 1.00 22.00 H new ATOM 0 HA SER A 96 20.536 -7.137 15.681 1.00 62.33 H new ATOM 0 HB2 SER A 96 19.405 -5.204 17.186 1.00 21.51 H new ATOM 0 HB3 SER A 96 19.337 -6.900 17.623 1.00 21.51 H new ATOM 0 HG SER A 96 20.066 -5.570 19.378 1.00 14.21 H new ATOM 1415 N ALA A 97 20.625 -5.030 14.363 1.00 3.52 N ATOM 1416 CA ALA A 97 20.810 -3.879 13.487 1.00 72.42 C ATOM 1417 C ALA A 97 19.486 -3.442 12.869 1.00 11.25 C ATOM 1418 O ALA A 97 18.669 -4.273 12.471 1.00 21.01 O ATOM 1419 CB ALA A 97 21.821 -4.203 12.397 1.00 21.01 C ATOM 0 H ALA A 97 19.963 -5.723 14.015 1.00 3.52 H new ATOM 0 HA ALA A 97 21.191 -3.053 14.088 1.00 72.42 H new ATOM 0 HB1 ALA A 97 21.949 -3.335 11.750 1.00 21.01 H new ATOM 0 HB2 ALA A 97 22.777 -4.461 12.853 1.00 21.01 H new ATOM 0 HB3 ALA A 97 21.462 -5.046 11.806 1.00 21.01 H new ATOM 1425 N THR A 98 19.278 -2.131 12.793 1.00 3.22 N ATOM 1426 CA THR A 98 18.053 -1.583 12.226 1.00 13.21 C ATOM 1427 C THR A 98 18.259 -1.161 10.776 1.00 53.41 C ATOM 1428 O THR A 98 19.145 -0.361 10.472 1.00 31.34 O ATOM 1429 CB THR A 98 17.552 -0.372 13.035 1.00 11.54 C ATOM 1430 OG1 THR A 98 17.409 -0.729 14.415 1.00 73.25 O ATOM 1431 CG2 THR A 98 16.220 0.127 12.495 1.00 44.44 C ATOM 0 H THR A 98 19.943 -1.429 13.117 1.00 3.22 H new ATOM 0 HA THR A 98 17.304 -2.374 12.268 1.00 13.21 H new ATOM 0 HB THR A 98 18.287 0.428 12.941 1.00 11.54 H new ATOM 0 HG1 THR A 98 17.092 0.047 14.922 1.00 73.25 H new ATOM 0 HG21 THR A 98 15.887 0.982 13.083 1.00 44.44 H new ATOM 0 HG22 THR A 98 16.339 0.426 11.454 1.00 44.44 H new ATOM 0 HG23 THR A 98 15.479 -0.670 12.561 1.00 44.44 H new ATOM 1439 N ILE A 99 17.435 -1.701 9.885 1.00 61.45 N ATOM 1440 CA ILE A 99 17.527 -1.378 8.466 1.00 33.41 C ATOM 1441 C ILE A 99 16.629 -0.197 8.112 1.00 24.41 C ATOM 1442 O ILE A 99 15.425 -0.220 8.368 1.00 43.12 O ATOM 1443 CB ILE A 99 17.140 -2.583 7.588 1.00 22.53 C ATOM 1444 CG1 ILE A 99 17.864 -3.844 8.067 1.00 50.32 C ATOM 1445 CG2 ILE A 99 17.465 -2.301 6.129 1.00 71.40 C ATOM 1446 CD1 ILE A 99 17.546 -5.072 7.244 1.00 62.44 C ATOM 0 H ILE A 99 16.696 -2.364 10.120 1.00 61.45 H new ATOM 0 HA ILE A 99 18.566 -1.114 8.269 1.00 33.41 H new ATOM 0 HB ILE A 99 16.066 -2.748 7.675 1.00 22.53 H new ATOM 0 HG12 ILE A 99 18.939 -3.668 8.041 1.00 50.32 H new ATOM 0 HG13 ILE A 99 17.597 -4.034 9.107 1.00 50.32 H new ATOM 0 HG21 ILE A 99 17.186 -3.162 5.521 1.00 71.40 H new ATOM 0 HG22 ILE A 99 16.909 -1.425 5.795 1.00 71.40 H new ATOM 0 HG23 ILE A 99 18.534 -2.114 6.024 1.00 71.40 H new ATOM 0 HD11 ILE A 99 18.094 -5.927 7.640 1.00 62.44 H new ATOM 0 HD12 ILE A 99 16.476 -5.274 7.290 1.00 62.44 H new ATOM 0 HD13 ILE A 99 17.839 -4.902 6.208 1.00 62.44 H new ATOM 1458 N VAL A 100 17.224 0.834 7.520 1.00 33.13 N ATOM 1459 CA VAL A 100 16.478 2.024 7.128 1.00 61.33 C ATOM 1460 C VAL A 100 16.360 2.123 5.611 1.00 31.30 C ATOM 1461 O VAL A 100 17.272 2.600 4.936 1.00 22.31 O ATOM 1462 CB VAL A 100 17.143 3.305 7.664 1.00 1.25 C ATOM 1463 CG1 VAL A 100 16.875 3.463 9.153 1.00 22.55 C ATOM 1464 CG2 VAL A 100 18.638 3.288 7.382 1.00 32.32 C ATOM 0 H VAL A 100 18.220 0.869 7.302 1.00 33.13 H new ATOM 0 HA VAL A 100 15.483 1.931 7.562 1.00 61.33 H new ATOM 0 HB VAL A 100 16.709 4.162 7.148 1.00 1.25 H new ATOM 0 HG11 VAL A 100 17.353 4.374 9.514 1.00 22.55 H new ATOM 0 HG12 VAL A 100 15.800 3.524 9.325 1.00 22.55 H new ATOM 0 HG13 VAL A 100 17.280 2.604 9.689 1.00 22.55 H new ATOM 0 HG21 VAL A 100 19.091 4.201 7.768 1.00 32.32 H new ATOM 0 HG22 VAL A 100 19.090 2.424 7.869 1.00 32.32 H new ATOM 0 HG23 VAL A 100 18.805 3.226 6.307 1.00 32.32 H new ATOM 1474 N VAL A 101 15.229 1.669 5.080 1.00 32.22 N ATOM 1475 CA VAL A 101 14.989 1.707 3.643 1.00 45.45 C ATOM 1476 C VAL A 101 14.266 2.987 3.240 1.00 14.31 C ATOM 1477 O VAL A 101 13.097 3.182 3.571 1.00 11.31 O ATOM 1478 CB VAL A 101 14.161 0.495 3.179 1.00 61.44 C ATOM 1479 CG1 VAL A 101 13.764 0.646 1.718 1.00 23.11 C ATOM 1480 CG2 VAL A 101 14.937 -0.795 3.398 1.00 60.30 C ATOM 0 H VAL A 101 14.464 1.270 5.624 1.00 32.22 H new ATOM 0 HA VAL A 101 15.965 1.677 3.159 1.00 45.45 H new ATOM 0 HB VAL A 101 13.250 0.450 3.775 1.00 61.44 H new ATOM 0 HG11 VAL A 101 13.179 -0.220 1.408 1.00 23.11 H new ATOM 0 HG12 VAL A 101 13.167 1.550 1.595 1.00 23.11 H new ATOM 0 HG13 VAL A 101 14.661 0.717 1.103 1.00 23.11 H new ATOM 0 HG21 VAL A 101 14.337 -1.642 3.065 1.00 60.30 H new ATOM 0 HG22 VAL A 101 15.866 -0.762 2.829 1.00 60.30 H new ATOM 0 HG23 VAL A 101 15.165 -0.907 4.458 1.00 60.30 H new ATOM 1490 N GLY A 102 14.969 3.858 2.522 1.00 10.14 N ATOM 1491 CA GLY A 102 14.377 5.109 2.086 1.00 40.13 C ATOM 1492 C GLY A 102 14.170 5.160 0.585 1.00 62.11 C ATOM 1493 O GLY A 102 15.118 5.367 -0.171 1.00 64.25 O ATOM 0 H GLY A 102 15.938 3.719 2.235 1.00 10.14 H new ATOM 0 HA2 GLY A 102 13.419 5.248 2.587 1.00 40.13 H new ATOM 0 HA3 GLY A 102 15.018 5.936 2.390 1.00 40.13 H new