USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 78:sc= 0.0764 USER MOD Single : A 19 TYR OH : rot -164:sc= 1.18 USER MOD Single : A 35 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0.0086) USER MOD Single : A 40 SER OG : rot 180:sc=-9.18e-05 USER MOD Single : A 41 SER OG : rot -93:sc= 0.0747 USER MOD Single : A 45 MET CE :methyl 177:sc= 0 (180deg=-0.00837) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 66 SER OG : rot 75:sc= 1.05 USER MOD Single : A 67 SER OG : rot 3:sc= 0.328 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 14.887 2.169 -7.911 1.00 70.53 N ATOM 118 CA ALA A 10 15.677 2.956 -8.863 1.00 23.12 C ATOM 119 C ALA A 10 16.349 2.130 -9.962 1.00 72.42 C ATOM 120 O ALA A 10 16.544 2.607 -11.070 1.00 4.30 O ATOM 121 CB ALA A 10 16.715 3.772 -8.115 1.00 1.23 C ATOM 0 HA ALA A 10 14.970 3.608 -9.376 1.00 23.12 H new ATOM 0 HB1 ALA A 10 17.300 4.356 -8.826 1.00 1.23 H new ATOM 0 HB2 ALA A 10 16.216 4.444 -7.417 1.00 1.23 H new ATOM 0 HB3 ALA A 10 17.376 3.103 -7.564 1.00 1.23 H new ATOM 127 N THR A 11 16.688 0.886 -9.658 1.00 62.32 N ATOM 128 CA THR A 11 17.336 0.006 -10.626 1.00 43.22 C ATOM 129 C THR A 11 16.406 -0.320 -11.808 1.00 60.25 C ATOM 130 O THR A 11 16.875 -0.638 -12.874 1.00 71.31 O ATOM 131 CB THR A 11 17.746 -1.309 -9.980 1.00 40.54 C ATOM 132 OG1 THR A 11 17.795 -1.123 -8.559 1.00 12.50 O ATOM 133 CG2 THR A 11 19.097 -1.770 -10.485 1.00 55.13 C ATOM 0 H THR A 11 16.525 0.460 -8.746 1.00 62.32 H new ATOM 0 HA THR A 11 18.215 0.540 -10.987 1.00 43.22 H new ATOM 0 HB THR A 11 17.016 -2.076 -10.239 1.00 40.54 H new ATOM 0 HG1 THR A 11 18.056 -1.963 -8.128 1.00 12.50 H new ATOM 0 HG21 THR A 11 19.363 -2.712 -10.005 1.00 55.13 H new ATOM 0 HG22 THR A 11 19.053 -1.913 -11.565 1.00 55.13 H new ATOM 0 HG23 THR A 11 19.850 -1.018 -10.249 1.00 55.13 H new ATOM 141 N GLU A 12 15.096 -0.269 -11.601 1.00 15.32 N ATOM 142 CA GLU A 12 14.142 -0.624 -12.633 1.00 5.13 C ATOM 143 C GLU A 12 14.319 0.182 -13.868 1.00 42.34 C ATOM 144 O GLU A 12 14.161 -0.303 -15.010 1.00 31.45 O ATOM 145 CB GLU A 12 12.749 -0.430 -12.099 1.00 2.45 C ATOM 146 CG GLU A 12 12.433 -1.385 -10.933 1.00 25.40 C ATOM 147 CD GLU A 12 11.176 -1.073 -10.184 1.00 34.22 C ATOM 148 OE1 GLU A 12 10.455 -0.118 -10.498 1.00 4.04 O ATOM 149 OE2 GLU A 12 10.962 -1.771 -9.166 1.00 42.53 O ATOM 0 H GLU A 12 14.672 0.018 -10.719 1.00 15.32 H new ATOM 0 HA GLU A 12 14.311 -1.667 -12.901 1.00 5.13 H new ATOM 0 HB2 GLU A 12 12.631 0.601 -11.764 1.00 2.45 H new ATOM 0 HB3 GLU A 12 12.029 -0.589 -12.902 1.00 2.45 H new ATOM 0 HG2 GLU A 12 12.363 -2.400 -11.323 1.00 25.40 H new ATOM 0 HG3 GLU A 12 13.269 -1.369 -10.233 1.00 25.40 H new ATOM 156 N LYS A 13 14.758 1.453 -13.717 1.00 73.23 N ATOM 157 CA LYS A 13 14.985 2.334 -14.865 1.00 44.33 C ATOM 158 C LYS A 13 16.084 1.810 -15.772 1.00 4.12 C ATOM 159 O LYS A 13 16.028 2.035 -16.955 1.00 43.11 O ATOM 160 CB LYS A 13 15.279 3.757 -14.374 1.00 53.42 C ATOM 161 CG LYS A 13 16.763 4.004 -14.029 1.00 52.44 C ATOM 162 CD LYS A 13 16.949 5.250 -13.202 1.00 71.20 C ATOM 163 CE LYS A 13 18.430 5.423 -12.871 1.00 51.42 C ATOM 164 NZ LYS A 13 18.664 6.643 -12.030 1.00 63.14 N ATOM 0 H LYS A 13 14.958 1.881 -12.813 1.00 73.23 H new ATOM 0 HA LYS A 13 14.078 2.356 -15.469 1.00 44.33 H new ATOM 0 HB2 LYS A 13 14.971 4.467 -15.142 1.00 53.42 H new ATOM 0 HB3 LYS A 13 14.672 3.959 -13.491 1.00 53.42 H new ATOM 0 HG2 LYS A 13 17.157 3.145 -13.485 1.00 52.44 H new ATOM 0 HG3 LYS A 13 17.340 4.090 -14.950 1.00 52.44 H new ATOM 0 HD2 LYS A 13 16.583 6.120 -13.748 1.00 71.20 H new ATOM 0 HD3 LYS A 13 16.366 5.181 -12.284 1.00 71.20 H new ATOM 0 HE2 LYS A 13 18.792 4.541 -12.343 1.00 51.42 H new ATOM 0 HE3 LYS A 13 19.004 5.500 -13.794 1.00 51.42 H new ATOM 0 HZ1 LYS A 13 19.679 6.732 -11.823 1.00 63.14 H new ATOM 0 HZ2 LYS A 13 18.340 7.487 -12.545 1.00 63.14 H new ATOM 0 HZ3 LYS A 13 18.135 6.557 -11.139 1.00 63.14 H new ATOM 178 N VAL A 14 17.089 1.172 -15.174 1.00 5.24 N ATOM 179 CA VAL A 14 18.203 0.674 -15.990 1.00 50.55 C ATOM 180 C VAL A 14 17.738 -0.617 -16.652 1.00 14.12 C ATOM 181 O VAL A 14 18.037 -0.887 -17.797 1.00 1.23 O ATOM 182 CB VAL A 14 19.542 0.487 -15.172 1.00 52.44 C ATOM 183 CG1 VAL A 14 19.646 1.511 -14.027 1.00 33.42 C ATOM 184 CG2 VAL A 14 19.696 -0.908 -14.570 1.00 21.25 C ATOM 0 H VAL A 14 17.160 0.991 -14.173 1.00 5.24 H new ATOM 0 HA VAL A 14 18.460 1.416 -16.746 1.00 50.55 H new ATOM 0 HB VAL A 14 20.339 0.640 -15.900 1.00 52.44 H new ATOM 0 HG11 VAL A 14 20.578 1.356 -13.484 1.00 33.42 H new ATOM 0 HG12 VAL A 14 19.630 2.520 -14.439 1.00 33.42 H new ATOM 0 HG13 VAL A 14 18.804 1.383 -13.347 1.00 33.42 H new ATOM 0 HG21 VAL A 14 20.637 -0.966 -14.022 1.00 21.25 H new ATOM 0 HG22 VAL A 14 18.867 -1.104 -13.890 1.00 21.25 H new ATOM 0 HG23 VAL A 14 19.694 -1.651 -15.368 1.00 21.25 H new ATOM 194 N LEU A 15 16.987 -1.412 -15.907 1.00 23.44 N ATOM 195 CA LEU A 15 16.602 -2.736 -16.353 1.00 3.35 C ATOM 196 C LEU A 15 15.612 -2.676 -17.500 1.00 54.25 C ATOM 197 O LEU A 15 15.815 -3.373 -18.490 1.00 4.32 O ATOM 198 CB LEU A 15 16.001 -3.508 -15.199 1.00 61.15 C ATOM 199 CG LEU A 15 16.947 -3.794 -14.057 1.00 3.33 C ATOM 200 CD1 LEU A 15 16.153 -4.082 -12.835 1.00 64.34 C ATOM 201 CD2 LEU A 15 17.846 -4.954 -14.378 1.00 63.23 C ATOM 0 H LEU A 15 16.631 -1.159 -14.985 1.00 23.44 H new ATOM 0 HA LEU A 15 17.498 -3.242 -16.712 1.00 3.35 H new ATOM 0 HB2 LEU A 15 15.149 -2.949 -14.813 1.00 61.15 H new ATOM 0 HB3 LEU A 15 15.616 -4.455 -15.577 1.00 61.15 H new ATOM 0 HG LEU A 15 17.579 -2.921 -13.892 1.00 3.33 H new ATOM 0 HD11 LEU A 15 16.827 -4.290 -12.004 1.00 64.34 H new ATOM 0 HD12 LEU A 15 15.533 -3.219 -12.592 1.00 64.34 H new ATOM 0 HD13 LEU A 15 15.516 -4.949 -13.011 1.00 64.34 H new ATOM 0 HD21 LEU A 15 18.517 -5.138 -13.539 1.00 63.23 H new ATOM 0 HD22 LEU A 15 17.242 -5.843 -14.561 1.00 63.23 H new ATOM 0 HD23 LEU A 15 18.433 -4.724 -15.267 1.00 63.23 H new ATOM 213 N CYS A 16 14.587 -1.833 -17.422 1.00 73.34 N ATOM 214 CA CYS A 16 13.673 -1.674 -18.513 1.00 50.01 C ATOM 215 C CYS A 16 14.379 -1.169 -19.758 1.00 1.25 C ATOM 216 O CYS A 16 13.958 -1.531 -20.892 1.00 23.12 O ATOM 217 CB CYS A 16 12.530 -0.638 -18.104 1.00 4.44 C ATOM 218 SG CYS A 16 11.486 -1.149 -16.765 1.00 43.54 S ATOM 0 H CYS A 16 14.381 -1.255 -16.607 1.00 73.34 H new ATOM 0 HA CYS A 16 13.239 -2.649 -18.734 1.00 50.01 H new ATOM 0 HB2 CYS A 16 13.000 0.308 -17.836 1.00 4.44 H new ATOM 0 HB3 CYS A 16 11.906 -0.448 -18.977 1.00 4.44 H new ATOM 0 HG CYS A 16 12.109 -0.973 -15.638 1.00 43.54 H new ATOM 224 N ALA A 17 15.347 -0.269 -19.632 1.00 1.40 N ATOM 225 CA ALA A 17 16.132 0.169 -20.763 1.00 23.44 C ATOM 226 C ALA A 17 16.965 -0.931 -21.423 1.00 72.22 C ATOM 227 O ALA A 17 16.945 -1.087 -22.592 1.00 73.24 O ATOM 228 CB ALA A 17 17.092 1.321 -20.291 1.00 13.40 C ATOM 0 H ALA A 17 15.603 0.170 -18.748 1.00 1.40 H new ATOM 0 HA ALA A 17 15.422 0.505 -21.519 1.00 23.44 H new ATOM 0 HB1 ALA A 17 17.692 1.663 -21.134 1.00 13.40 H new ATOM 0 HB2 ALA A 17 16.501 2.152 -19.905 1.00 13.40 H new ATOM 0 HB3 ALA A 17 17.749 0.948 -19.506 1.00 13.40 H new ATOM 234 N LEU A 18 17.598 -1.693 -20.567 1.00 22.11 N ATOM 235 CA LEU A 18 18.474 -2.777 -20.995 1.00 71.23 C ATOM 236 C LEU A 18 17.692 -3.892 -21.693 1.00 74.14 C ATOM 237 O LEU A 18 18.162 -4.492 -22.677 1.00 1.32 O ATOM 238 CB LEU A 18 19.170 -3.497 -19.800 1.00 4.20 C ATOM 239 CG LEU A 18 20.693 -3.132 -19.468 1.00 73.34 C ATOM 240 CD1 LEU A 18 21.472 -3.316 -20.707 1.00 31.35 C ATOM 241 CD2 LEU A 18 20.940 -1.694 -18.912 1.00 62.50 C ATOM 0 H LEU A 18 17.527 -1.588 -19.555 1.00 22.11 H new ATOM 0 HA LEU A 18 19.197 -2.292 -21.651 1.00 71.23 H new ATOM 0 HB2 LEU A 18 18.580 -3.300 -18.905 1.00 4.20 H new ATOM 0 HB3 LEU A 18 19.119 -4.570 -19.985 1.00 4.20 H new ATOM 0 HG LEU A 18 21.003 -3.796 -18.661 1.00 73.34 H new ATOM 0 HD11 LEU A 18 22.518 -3.076 -20.518 1.00 31.35 H new ATOM 0 HD12 LEU A 18 21.392 -4.352 -21.037 1.00 31.35 H new ATOM 0 HD13 LEU A 18 21.083 -2.657 -21.483 1.00 31.35 H new ATOM 0 HD21 LEU A 18 22.004 -1.555 -18.722 1.00 62.50 H new ATOM 0 HD22 LEU A 18 20.603 -0.959 -19.642 1.00 62.50 H new ATOM 0 HD23 LEU A 18 20.386 -1.563 -17.983 1.00 62.50 H new ATOM 253 N TYR A 19 16.452 -4.104 -21.285 1.00 23.14 N ATOM 254 CA TYR A 19 15.572 -5.071 -21.949 1.00 0.33 C ATOM 255 C TYR A 19 15.263 -4.548 -23.352 1.00 75.44 C ATOM 256 O TYR A 19 15.307 -5.306 -24.328 1.00 5.12 O ATOM 257 CB TYR A 19 14.246 -5.224 -21.193 1.00 13.22 C ATOM 258 CG TYR A 19 14.222 -6.164 -19.997 1.00 23.41 C ATOM 259 CD1 TYR A 19 15.293 -6.243 -19.083 1.00 51.45 C ATOM 260 CD2 TYR A 19 13.083 -6.968 -19.757 1.00 40.14 C ATOM 261 CE1 TYR A 19 15.227 -7.091 -17.952 1.00 61.33 C ATOM 262 CE2 TYR A 19 13.024 -7.831 -18.632 1.00 22.45 C ATOM 263 CZ TYR A 19 14.100 -7.883 -17.742 1.00 12.30 C ATOM 264 OH TYR A 19 14.048 -8.721 -16.653 1.00 3.20 O ATOM 0 H TYR A 19 16.024 -3.621 -20.495 1.00 23.14 H new ATOM 0 HA TYR A 19 16.073 -6.039 -21.979 1.00 0.33 H new ATOM 0 HB2 TYR A 19 13.939 -4.236 -20.850 1.00 13.22 H new ATOM 0 HB3 TYR A 19 13.492 -5.564 -21.903 1.00 13.22 H new ATOM 0 HD1 TYR A 19 16.178 -5.647 -19.249 1.00 51.45 H new ATOM 0 HD2 TYR A 19 12.247 -6.924 -20.439 1.00 40.14 H new ATOM 0 HE1 TYR A 19 16.049 -7.124 -17.252 1.00 61.33 H new ATOM 0 HE2 TYR A 19 12.151 -8.445 -18.464 1.00 22.45 H new ATOM 0 HH TYR A 19 13.329 -9.375 -16.777 1.00 3.20 H new ATOM 274 N ALA A 20 14.925 -3.264 -23.450 1.00 43.55 N ATOM 275 CA ALA A 20 14.536 -2.663 -24.725 1.00 45.33 C ATOM 276 C ALA A 20 15.676 -2.677 -25.750 1.00 34.13 C ATOM 277 O ALA A 20 15.424 -2.850 -26.930 1.00 34.45 O ATOM 278 CB ALA A 20 14.074 -1.205 -24.480 1.00 1.51 C ATOM 0 H ALA A 20 14.913 -2.618 -22.661 1.00 43.55 H new ATOM 0 HA ALA A 20 13.722 -3.259 -25.138 1.00 45.33 H new ATOM 0 HB1 ALA A 20 13.783 -0.752 -25.427 1.00 1.51 H new ATOM 0 HB2 ALA A 20 13.223 -1.203 -23.800 1.00 1.51 H new ATOM 0 HB3 ALA A 20 14.891 -0.633 -24.040 1.00 1.51 H new ATOM 284 N GLU A 21 16.910 -2.525 -25.299 1.00 13.21 N ATOM 285 CA GLU A 21 18.064 -2.535 -26.211 1.00 5.34 C ATOM 286 C GLU A 21 18.173 -3.855 -26.953 1.00 35.22 C ATOM 287 O GLU A 21 18.497 -3.904 -28.132 1.00 53.24 O ATOM 288 CB GLU A 21 19.378 -2.374 -25.431 1.00 11.13 C ATOM 289 CG GLU A 21 19.652 -0.999 -24.863 1.00 14.30 C ATOM 290 CD GLU A 21 21.003 -0.957 -24.144 1.00 0.34 C ATOM 291 OE1 GLU A 21 21.607 -2.036 -23.918 1.00 40.13 O ATOM 292 OE2 GLU A 21 21.491 0.152 -23.846 1.00 61.42 O ATOM 0 H GLU A 21 17.148 -2.393 -24.316 1.00 13.21 H new ATOM 0 HA GLU A 21 17.909 -1.710 -26.906 1.00 5.34 H new ATOM 0 HB2 GLU A 21 19.379 -3.091 -24.610 1.00 11.13 H new ATOM 0 HB3 GLU A 21 20.203 -2.643 -26.090 1.00 11.13 H new ATOM 0 HG2 GLU A 21 19.641 -0.262 -25.666 1.00 14.30 H new ATOM 0 HG3 GLU A 21 18.858 -0.725 -24.168 1.00 14.30 H new ATOM 299 N ILE A 22 17.962 -4.935 -26.227 1.00 22.45 N ATOM 300 CA ILE A 22 18.155 -6.280 -26.763 1.00 11.51 C ATOM 301 C ILE A 22 16.936 -6.712 -27.574 1.00 14.14 C ATOM 302 O ILE A 22 17.057 -7.398 -28.588 1.00 62.30 O ATOM 303 CB ILE A 22 18.404 -7.268 -25.587 1.00 11.04 C ATOM 304 CG1 ILE A 22 19.715 -6.872 -24.873 1.00 31.33 C ATOM 305 CG2 ILE A 22 18.503 -8.739 -26.086 1.00 33.13 C ATOM 306 CD1 ILE A 22 19.919 -7.547 -23.552 1.00 52.13 C ATOM 0 H ILE A 22 17.654 -4.913 -25.255 1.00 22.45 H new ATOM 0 HA ILE A 22 19.020 -6.283 -27.427 1.00 11.51 H new ATOM 0 HB ILE A 22 17.561 -7.208 -24.899 1.00 11.04 H new ATOM 0 HG12 ILE A 22 20.557 -7.109 -25.524 1.00 31.33 H new ATOM 0 HG13 ILE A 22 19.723 -5.792 -24.722 1.00 31.33 H new ATOM 0 HG21 ILE A 22 18.677 -9.400 -25.237 1.00 33.13 H new ATOM 0 HG22 ILE A 22 17.572 -9.019 -26.579 1.00 33.13 H new ATOM 0 HG23 ILE A 22 19.329 -8.829 -26.791 1.00 33.13 H new ATOM 0 HD11 ILE A 22 20.861 -7.216 -23.116 1.00 52.13 H new ATOM 0 HD12 ILE A 22 19.099 -7.290 -22.882 1.00 52.13 H new ATOM 0 HD13 ILE A 22 19.946 -8.627 -23.696 1.00 52.13 H new ATOM 318 N LEU A 23 15.755 -6.316 -27.117 1.00 42.32 N ATOM 319 CA LEU A 23 14.510 -6.712 -27.778 1.00 54.21 C ATOM 320 C LEU A 23 14.155 -5.803 -28.965 1.00 23.43 C ATOM 321 O LEU A 23 13.354 -6.181 -29.803 1.00 24.23 O ATOM 322 CB LEU A 23 13.359 -6.708 -26.761 1.00 74.14 C ATOM 323 CG LEU A 23 13.104 -7.993 -25.949 1.00 42.54 C ATOM 324 CD1 LEU A 23 12.564 -9.075 -26.872 1.00 60.01 C ATOM 325 CD2 LEU A 23 14.321 -8.536 -25.198 1.00 15.51 C ATOM 0 H LEU A 23 15.629 -5.724 -26.296 1.00 42.32 H new ATOM 0 HA LEU A 23 14.661 -7.716 -28.174 1.00 54.21 H new ATOM 0 HB2 LEU A 23 13.541 -5.898 -26.055 1.00 74.14 H new ATOM 0 HB3 LEU A 23 12.441 -6.464 -27.297 1.00 74.14 H new ATOM 0 HG LEU A 23 12.381 -7.716 -25.182 1.00 42.54 H new ATOM 0 HD11 LEU A 23 12.383 -9.985 -26.299 1.00 60.01 H new ATOM 0 HD12 LEU A 23 11.630 -8.737 -27.321 1.00 60.01 H new ATOM 0 HD13 LEU A 23 13.291 -9.279 -27.658 1.00 60.01 H new ATOM 0 HD21 LEU A 23 14.041 -9.440 -24.657 1.00 15.51 H new ATOM 0 HD22 LEU A 23 15.113 -8.769 -25.909 1.00 15.51 H new ATOM 0 HD23 LEU A 23 14.677 -7.786 -24.491 1.00 15.51 H new ATOM 337 N GLY A 24 14.768 -4.626 -29.034 1.00 71.33 N ATOM 338 CA GLY A 24 14.512 -3.714 -30.144 1.00 3.43 C ATOM 339 C GLY A 24 13.137 -3.066 -30.046 1.00 3.12 C ATOM 340 O GLY A 24 12.507 -2.783 -31.053 1.00 21.50 O ATOM 0 H GLY A 24 15.437 -4.284 -28.344 1.00 71.33 H new ATOM 0 HA2 GLY A 24 15.278 -2.938 -30.160 1.00 3.43 H new ATOM 0 HA3 GLY A 24 14.590 -4.258 -31.085 1.00 3.43 H new ATOM 344 N VAL A 25 12.660 -2.846 -28.828 1.00 41.21 N ATOM 345 CA VAL A 25 11.321 -2.274 -28.628 1.00 25.51 C ATOM 346 C VAL A 25 11.319 -0.817 -28.219 1.00 64.35 C ATOM 347 O VAL A 25 12.275 -0.290 -27.669 1.00 61.14 O ATOM 348 CB VAL A 25 10.514 -3.050 -27.554 1.00 54.43 C ATOM 349 CG1 VAL A 25 10.265 -4.449 -27.989 1.00 73.10 C ATOM 350 CG2 VAL A 25 11.240 -3.076 -26.220 1.00 32.22 C ATOM 0 H VAL A 25 13.168 -3.050 -27.968 1.00 41.21 H new ATOM 0 HA VAL A 25 10.858 -2.361 -29.611 1.00 25.51 H new ATOM 0 HB VAL A 25 9.566 -2.527 -27.432 1.00 54.43 H new ATOM 0 HG11 VAL A 25 9.698 -4.974 -27.220 1.00 73.10 H new ATOM 0 HG12 VAL A 25 9.697 -4.445 -28.920 1.00 73.10 H new ATOM 0 HG13 VAL A 25 11.217 -4.956 -28.147 1.00 73.10 H new ATOM 0 HG21 VAL A 25 10.645 -3.628 -25.493 1.00 32.22 H new ATOM 0 HG22 VAL A 25 12.207 -3.563 -26.342 1.00 32.22 H new ATOM 0 HG23 VAL A 25 11.389 -2.056 -25.867 1.00 32.22 H new ATOM 360 N GLU A 26 10.173 -0.193 -28.443 1.00 31.40 N ATOM 361 CA GLU A 26 9.942 1.187 -28.072 1.00 3.45 C ATOM 362 C GLU A 26 9.736 1.347 -26.559 1.00 1.34 C ATOM 363 O GLU A 26 9.938 2.430 -26.003 1.00 1.15 O ATOM 364 CB GLU A 26 8.676 1.673 -28.768 1.00 10.54 C ATOM 365 CG GLU A 26 8.787 1.778 -30.286 1.00 62.40 C ATOM 366 CD GLU A 26 7.516 2.320 -30.932 1.00 33.20 C ATOM 367 OE1 GLU A 26 6.588 2.703 -30.190 1.00 52.31 O ATOM 368 OE2 GLU A 26 7.448 2.363 -32.179 1.00 3.21 O ATOM 0 H GLU A 26 9.372 -0.638 -28.892 1.00 31.40 H new ATOM 0 HA GLU A 26 10.818 1.764 -28.369 1.00 3.45 H new ATOM 0 HB2 GLU A 26 7.859 0.995 -28.523 1.00 10.54 H new ATOM 0 HB3 GLU A 26 8.410 2.651 -28.368 1.00 10.54 H new ATOM 0 HG2 GLU A 26 9.625 2.427 -30.541 1.00 62.40 H new ATOM 0 HG3 GLU A 26 9.009 0.794 -30.699 1.00 62.40 H new ATOM 375 N ARG A 27 9.270 0.289 -25.905 1.00 71.53 N ATOM 376 CA ARG A 27 8.913 0.369 -24.485 1.00 72.12 C ATOM 377 C ARG A 27 8.986 -0.964 -23.771 1.00 41.32 C ATOM 378 O ARG A 27 8.658 -1.989 -24.349 1.00 1.11 O ATOM 379 CB ARG A 27 7.466 0.858 -24.367 1.00 30.04 C ATOM 380 CG ARG A 27 7.334 2.255 -23.807 1.00 71.13 C ATOM 381 CD ARG A 27 5.875 2.572 -23.569 1.00 3.23 C ATOM 382 NE ARG A 27 5.696 3.930 -23.031 1.00 54.23 N ATOM 383 CZ ARG A 27 4.540 4.439 -22.620 1.00 3.12 C ATOM 384 NH1 ARG A 27 3.422 3.752 -22.653 1.00 50.45 N ATOM 385 NH2 ARG A 27 4.511 5.662 -22.167 1.00 43.53 N ATOM 0 H ARG A 27 9.130 -0.629 -26.327 1.00 71.53 H new ATOM 0 HA ARG A 27 9.631 1.046 -24.023 1.00 72.12 H new ATOM 0 HB2 ARG A 27 7.001 0.827 -25.352 1.00 30.04 H new ATOM 0 HB3 ARG A 27 6.911 0.169 -23.731 1.00 30.04 H new ATOM 0 HG2 ARG A 27 7.891 2.337 -22.874 1.00 71.13 H new ATOM 0 HG3 ARG A 27 7.765 2.977 -24.500 1.00 71.13 H new ATOM 0 HD2 ARG A 27 5.324 2.475 -24.504 1.00 3.23 H new ATOM 0 HD3 ARG A 27 5.453 1.846 -22.874 1.00 3.23 H new ATOM 0 HE ARG A 27 6.522 4.525 -22.969 1.00 54.23 H new ATOM 0 HH11 ARG A 27 3.422 2.794 -23.003 1.00 50.45 H new ATOM 0 HH12 ARG A 27 2.553 4.176 -22.329 1.00 50.45 H new ATOM 0 HH21 ARG A 27 5.368 6.213 -22.132 1.00 43.53 H new ATOM 0 HH22 ARG A 27 3.631 6.067 -21.848 1.00 43.53 H new ATOM 399 N VAL A 28 9.339 -0.906 -22.494 1.00 5.13 N ATOM 400 CA VAL A 28 9.303 -2.063 -21.593 1.00 4.00 C ATOM 401 C VAL A 28 8.763 -1.564 -20.256 1.00 54.12 C ATOM 402 O VAL A 28 9.230 -0.546 -19.738 1.00 24.24 O ATOM 403 CB VAL A 28 10.720 -2.664 -21.370 1.00 62.44 C ATOM 404 CG1 VAL A 28 10.696 -3.808 -20.348 1.00 34.33 C ATOM 405 CG2 VAL A 28 11.272 -3.194 -22.677 1.00 51.31 C ATOM 0 H VAL A 28 9.662 -0.049 -22.045 1.00 5.13 H new ATOM 0 HA VAL A 28 8.680 -2.845 -22.027 1.00 4.00 H new ATOM 0 HB VAL A 28 11.354 -1.865 -20.986 1.00 62.44 H new ATOM 0 HG11 VAL A 28 11.704 -4.202 -20.219 1.00 34.33 H new ATOM 0 HG12 VAL A 28 10.327 -3.435 -19.393 1.00 34.33 H new ATOM 0 HG13 VAL A 28 10.039 -4.601 -20.705 1.00 34.33 H new ATOM 0 HG21 VAL A 28 12.264 -3.613 -22.510 1.00 51.31 H new ATOM 0 HG22 VAL A 28 10.611 -3.970 -23.063 1.00 51.31 H new ATOM 0 HG23 VAL A 28 11.338 -2.381 -23.400 1.00 51.31 H new ATOM 415 N GLY A 29 7.769 -2.246 -19.725 1.00 45.41 N ATOM 416 CA GLY A 29 7.208 -1.900 -18.429 1.00 12.00 C ATOM 417 C GLY A 29 7.968 -2.601 -17.321 1.00 61.51 C ATOM 418 O GLY A 29 8.818 -3.435 -17.572 1.00 62.23 O ATOM 0 H GLY A 29 7.328 -3.050 -20.173 1.00 45.41 H new ATOM 0 HA2 GLY A 29 7.252 -0.821 -18.283 1.00 12.00 H new ATOM 0 HA3 GLY A 29 6.156 -2.184 -18.393 1.00 12.00 H new ATOM 422 N VAL A 30 7.670 -2.271 -16.078 1.00 21.33 N ATOM 423 CA VAL A 30 8.329 -2.920 -14.935 1.00 14.52 C ATOM 424 C VAL A 30 7.801 -4.338 -14.736 1.00 35.41 C ATOM 425 O VAL A 30 8.355 -5.128 -13.974 1.00 65.21 O ATOM 426 CB VAL A 30 8.077 -2.139 -13.626 1.00 52.12 C ATOM 427 CG1 VAL A 30 9.207 -1.172 -13.358 1.00 60.20 C ATOM 428 CG2 VAL A 30 6.729 -1.369 -13.670 1.00 12.31 C ATOM 0 H VAL A 30 6.981 -1.563 -15.824 1.00 21.33 H new ATOM 0 HA VAL A 30 9.396 -2.940 -15.158 1.00 14.52 H new ATOM 0 HB VAL A 30 8.027 -2.869 -12.818 1.00 52.12 H new ATOM 0 HG11 VAL A 30 9.011 -0.631 -12.432 1.00 60.20 H new ATOM 0 HG12 VAL A 30 10.143 -1.723 -13.266 1.00 60.20 H new ATOM 0 HG13 VAL A 30 9.283 -0.463 -14.183 1.00 60.20 H new ATOM 0 HG21 VAL A 30 6.586 -0.832 -12.732 1.00 12.31 H new ATOM 0 HG22 VAL A 30 6.742 -0.659 -14.497 1.00 12.31 H new ATOM 0 HG23 VAL A 30 5.911 -2.075 -13.812 1.00 12.31 H new ATOM 438 N ASP A 31 6.702 -4.620 -15.415 1.00 4.41 N ATOM 439 CA ASP A 31 5.949 -5.860 -15.305 1.00 1.50 C ATOM 440 C ASP A 31 6.057 -6.734 -16.553 1.00 44.24 C ATOM 441 O ASP A 31 5.553 -7.849 -16.573 1.00 50.02 O ATOM 442 CB ASP A 31 4.479 -5.530 -15.017 1.00 61.01 C ATOM 443 CG ASP A 31 3.826 -4.650 -16.100 1.00 23.03 C ATOM 444 OD1 ASP A 31 4.420 -3.607 -16.486 1.00 24.55 O ATOM 445 OD2 ASP A 31 2.668 -4.933 -16.465 1.00 73.22 O ATOM 0 H ASP A 31 6.293 -3.967 -16.084 1.00 4.41 H new ATOM 0 HA ASP A 31 6.379 -6.436 -14.486 1.00 1.50 H new ATOM 0 HB2 ASP A 31 3.917 -6.459 -14.927 1.00 61.01 H new ATOM 0 HB3 ASP A 31 4.410 -5.021 -14.056 1.00 61.01 H new ATOM 450 N ASP A 32 6.757 -6.249 -17.562 1.00 3.15 N ATOM 451 CA ASP A 32 6.982 -7.040 -18.793 1.00 72.42 C ATOM 452 C ASP A 32 8.040 -8.081 -18.494 1.00 20.14 C ATOM 453 O ASP A 32 9.161 -7.747 -18.114 1.00 75.33 O ATOM 454 CB ASP A 32 7.523 -6.160 -19.936 1.00 4.02 C ATOM 455 CG ASP A 32 6.426 -5.553 -20.770 1.00 61.33 C ATOM 456 OD1 ASP A 32 5.537 -6.293 -21.241 1.00 34.34 O ATOM 457 OD2 ASP A 32 6.509 -4.338 -21.041 1.00 33.24 O ATOM 0 H ASP A 32 7.182 -5.322 -17.570 1.00 3.15 H new ATOM 0 HA ASP A 32 6.033 -7.482 -19.096 1.00 72.42 H new ATOM 0 HB2 ASP A 32 8.138 -5.364 -19.516 1.00 4.02 H new ATOM 0 HB3 ASP A 32 8.171 -6.760 -20.576 1.00 4.02 H new ATOM 462 N ALA A 33 7.717 -9.361 -18.671 1.00 22.34 N ATOM 463 CA ALA A 33 8.727 -10.376 -18.502 1.00 14.44 C ATOM 464 C ALA A 33 9.592 -10.352 -19.754 1.00 74.41 C ATOM 465 O ALA A 33 9.113 -10.035 -20.834 1.00 50.14 O ATOM 466 CB ALA A 33 8.080 -11.720 -18.269 1.00 71.04 C ATOM 0 H ALA A 33 6.790 -9.702 -18.924 1.00 22.34 H new ATOM 0 HA ALA A 33 9.351 -10.186 -17.628 1.00 14.44 H new ATOM 0 HB1 ALA A 33 8.852 -12.479 -18.143 1.00 71.04 H new ATOM 0 HB2 ALA A 33 7.464 -11.676 -17.371 1.00 71.04 H new ATOM 0 HB3 ALA A 33 7.456 -11.977 -19.125 1.00 71.04 H new ATOM 472 N PHE A 34 10.839 -10.782 -19.627 1.00 44.01 N ATOM 473 CA PHE A 34 11.738 -10.819 -20.773 1.00 31.22 C ATOM 474 C PHE A 34 11.155 -11.678 -21.913 1.00 52.33 C ATOM 475 O PHE A 34 11.328 -11.379 -23.087 1.00 21.41 O ATOM 476 CB PHE A 34 13.090 -11.373 -20.329 1.00 44.11 C ATOM 477 CG PHE A 34 14.195 -11.142 -21.325 1.00 23.01 C ATOM 478 CD1 PHE A 34 14.893 -9.925 -21.340 1.00 54.53 C ATOM 479 CD2 PHE A 34 14.562 -12.146 -22.240 1.00 51.02 C ATOM 480 CE1 PHE A 34 15.945 -9.702 -22.262 1.00 23.21 C ATOM 481 CE2 PHE A 34 15.607 -11.936 -23.164 1.00 5.45 C ATOM 482 CZ PHE A 34 16.305 -10.711 -23.168 1.00 5.54 C ATOM 0 H PHE A 34 11.249 -11.107 -18.752 1.00 44.01 H new ATOM 0 HA PHE A 34 11.862 -9.806 -21.156 1.00 31.22 H new ATOM 0 HB2 PHE A 34 13.367 -10.914 -19.380 1.00 44.11 H new ATOM 0 HB3 PHE A 34 12.993 -12.444 -20.149 1.00 44.11 H new ATOM 0 HD1 PHE A 34 14.625 -9.148 -20.639 1.00 54.53 H new ATOM 0 HD2 PHE A 34 14.037 -13.090 -22.235 1.00 51.02 H new ATOM 0 HE1 PHE A 34 16.469 -8.758 -22.268 1.00 23.21 H new ATOM 0 HE2 PHE A 34 15.872 -12.712 -23.867 1.00 5.45 H new ATOM 0 HZ PHE A 34 17.114 -10.550 -23.866 1.00 5.54 H new ATOM 492 N HIS A 35 10.445 -12.740 -21.553 1.00 2.42 N ATOM 493 CA HIS A 35 9.807 -13.612 -22.536 1.00 43.14 C ATOM 494 C HIS A 35 8.463 -13.083 -23.065 1.00 2.11 C ATOM 495 O HIS A 35 8.027 -13.509 -24.123 1.00 73.21 O ATOM 496 CB HIS A 35 9.604 -15.006 -21.946 1.00 72.03 C ATOM 497 CG HIS A 35 10.890 -15.707 -21.624 1.00 51.35 C ATOM 498 ND1 HIS A 35 11.296 -16.037 -20.360 1.00 11.04 N ATOM 499 CD2 HIS A 35 11.888 -16.146 -22.438 1.00 14.15 C ATOM 500 CE1 HIS A 35 12.484 -16.632 -20.439 1.00 73.21 C ATOM 501 NE2 HIS A 35 12.896 -16.723 -21.686 1.00 14.33 N ATOM 0 H HIS A 35 10.295 -13.020 -20.584 1.00 2.42 H new ATOM 0 HA HIS A 35 10.486 -13.646 -23.388 1.00 43.14 H new ATOM 0 HB2 HIS A 35 9.005 -14.925 -21.039 1.00 72.03 H new ATOM 0 HB3 HIS A 35 9.035 -15.612 -22.651 1.00 72.03 H new ATOM 0 HD2 HIS A 35 11.893 -16.057 -23.514 1.00 14.15 H new ATOM 0 HE1 HIS A 35 13.040 -16.995 -19.587 1.00 73.21 H new ATOM 0 HE2 HIS A 35 13.768 -17.130 -22.024 1.00 14.33 H new ATOM 509 N ASP A 36 7.823 -12.154 -22.357 1.00 61.31 N ATOM 510 CA ASP A 36 6.527 -11.610 -22.795 1.00 65.15 C ATOM 511 C ASP A 36 6.782 -10.741 -24.009 1.00 70.23 C ATOM 512 O ASP A 36 5.980 -10.663 -24.934 1.00 32.24 O ATOM 513 CB ASP A 36 5.863 -10.757 -21.699 1.00 3.32 C ATOM 514 CG ASP A 36 5.449 -11.571 -20.482 1.00 10.23 C ATOM 515 OD1 ASP A 36 5.452 -12.822 -20.547 1.00 22.24 O ATOM 516 OD2 ASP A 36 5.220 -10.954 -19.421 1.00 44.41 O ATOM 0 H ASP A 36 8.173 -11.761 -21.483 1.00 61.31 H new ATOM 0 HA ASP A 36 5.854 -12.437 -23.022 1.00 65.15 H new ATOM 0 HB2 ASP A 36 6.554 -9.974 -21.387 1.00 3.32 H new ATOM 0 HB3 ASP A 36 4.985 -10.261 -22.114 1.00 3.32 H new ATOM 521 N LEU A 37 7.964 -10.149 -24.018 1.00 71.35 N ATOM 522 CA LEU A 37 8.429 -9.315 -25.126 1.00 42.22 C ATOM 523 C LEU A 37 8.863 -10.173 -26.323 1.00 42.01 C ATOM 524 O LEU A 37 9.331 -9.651 -27.329 1.00 2.22 O ATOM 525 CB LEU A 37 9.624 -8.478 -24.645 1.00 1.02 C ATOM 526 CG LEU A 37 9.365 -7.483 -23.501 1.00 53.43 C ATOM 527 CD1 LEU A 37 10.693 -7.062 -22.873 1.00 5.30 C ATOM 528 CD2 LEU A 37 8.626 -6.245 -24.010 1.00 22.41 C ATOM 0 H LEU A 37 8.636 -10.231 -23.255 1.00 71.35 H new ATOM 0 HA LEU A 37 7.610 -8.671 -25.447 1.00 42.22 H new ATOM 0 HB2 LEU A 37 10.411 -9.162 -24.327 1.00 1.02 H new ATOM 0 HB3 LEU A 37 10.012 -7.920 -25.497 1.00 1.02 H new ATOM 0 HG LEU A 37 8.743 -7.975 -22.753 1.00 53.43 H new ATOM 0 HD11 LEU A 37 10.505 -6.357 -22.063 1.00 5.30 H new ATOM 0 HD12 LEU A 37 11.204 -7.940 -22.478 1.00 5.30 H new ATOM 0 HD13 LEU A 37 11.319 -6.588 -23.629 1.00 5.30 H new ATOM 0 HD21 LEU A 37 8.455 -5.557 -23.182 1.00 22.41 H new ATOM 0 HD22 LEU A 37 9.227 -5.751 -24.774 1.00 22.41 H new ATOM 0 HD23 LEU A 37 7.669 -6.543 -24.438 1.00 22.41 H new ATOM 540 N GLY A 38 8.739 -11.490 -26.198 1.00 62.22 N ATOM 541 CA GLY A 38 9.165 -12.400 -27.253 1.00 54.12 C ATOM 542 C GLY A 38 10.626 -12.794 -27.120 1.00 54.13 C ATOM 543 O GLY A 38 11.224 -13.332 -28.052 1.00 60.24 O ATOM 0 H GLY A 38 8.347 -11.950 -25.377 1.00 62.22 H new ATOM 0 HA2 GLY A 38 8.546 -13.297 -27.228 1.00 54.12 H new ATOM 0 HA3 GLY A 38 9.005 -11.929 -28.223 1.00 54.12 H new ATOM 547 N GLY A 39 11.189 -12.504 -25.953 1.00 11.15 N ATOM 548 CA GLY A 39 12.576 -12.800 -25.669 1.00 20.31 C ATOM 549 C GLY A 39 12.840 -14.273 -25.494 1.00 53.23 C ATOM 550 O GLY A 39 11.963 -15.121 -25.606 1.00 73.01 O ATOM 0 H GLY A 39 10.692 -12.058 -25.182 1.00 11.15 H new ATOM 0 HA2 GLY A 39 13.196 -12.419 -26.480 1.00 20.31 H new ATOM 0 HA3 GLY A 39 12.876 -12.273 -24.764 1.00 20.31 H new ATOM 554 N SER A 40 14.095 -14.612 -25.284 1.00 54.44 N ATOM 555 CA SER A 40 14.498 -16.023 -25.192 1.00 42.33 C ATOM 556 C SER A 40 15.577 -16.220 -24.162 1.00 45.41 C ATOM 557 O SER A 40 16.238 -15.264 -23.794 1.00 65.14 O ATOM 558 CB SER A 40 15.021 -16.484 -26.533 1.00 63.42 C ATOM 559 OG SER A 40 15.131 -17.854 -26.601 1.00 31.55 O ATOM 0 H SER A 40 14.858 -13.944 -25.173 1.00 54.44 H new ATOM 0 HA SER A 40 13.623 -16.603 -24.898 1.00 42.33 H new ATOM 0 HB2 SER A 40 14.355 -16.134 -27.322 1.00 63.42 H new ATOM 0 HB3 SER A 40 15.996 -16.033 -26.716 1.00 63.42 H new ATOM 0 HG SER A 40 15.470 -18.112 -27.484 1.00 31.55 H new ATOM 565 N SER A 41 15.872 -17.449 -23.780 1.00 34.31 N ATOM 566 CA SER A 41 16.931 -17.685 -22.802 1.00 22.01 C ATOM 567 C SER A 41 18.261 -17.311 -23.409 1.00 14.41 C ATOM 568 O SER A 41 19.160 -16.848 -22.735 1.00 1.12 O ATOM 569 CB SER A 41 16.961 -19.145 -22.353 1.00 35.05 C ATOM 570 OG SER A 41 15.713 -19.530 -21.805 1.00 11.44 O ATOM 0 H SER A 41 15.406 -18.289 -24.122 1.00 34.31 H new ATOM 0 HA SER A 41 16.733 -17.069 -21.925 1.00 22.01 H new ATOM 0 HB2 SER A 41 17.204 -19.786 -23.201 1.00 35.05 H new ATOM 0 HB3 SER A 41 17.747 -19.286 -21.612 1.00 35.05 H new ATOM 0 HG SER A 41 15.727 -19.396 -20.834 1.00 11.44 H new ATOM 576 N ALA A 42 18.350 -17.499 -24.712 1.00 63.11 N ATOM 577 CA ALA A 42 19.546 -17.179 -25.475 1.00 50.24 C ATOM 578 C ALA A 42 19.773 -15.656 -25.464 1.00 64.30 C ATOM 579 O ALA A 42 20.889 -15.178 -25.368 1.00 23.25 O ATOM 580 CB ALA A 42 19.345 -17.669 -26.915 1.00 74.44 C ATOM 0 H ALA A 42 17.591 -17.880 -25.276 1.00 63.11 H new ATOM 0 HA ALA A 42 20.417 -17.665 -25.035 1.00 50.24 H new ATOM 0 HB1 ALA A 42 20.232 -17.438 -27.505 1.00 74.44 H new ATOM 0 HB2 ALA A 42 19.181 -18.747 -26.913 1.00 74.44 H new ATOM 0 HB3 ALA A 42 18.479 -17.171 -27.351 1.00 74.44 H new ATOM 586 N LEU A 43 18.706 -14.882 -25.576 1.00 74.11 N ATOM 587 CA LEU A 43 18.832 -13.416 -25.564 1.00 74.20 C ATOM 588 C LEU A 43 19.052 -12.947 -24.124 1.00 52.43 C ATOM 589 O LEU A 43 19.711 -11.927 -23.862 1.00 44.02 O ATOM 590 CB LEU A 43 17.587 -12.729 -26.127 1.00 74.34 C ATOM 591 CG LEU A 43 17.483 -12.507 -27.643 1.00 5.03 C ATOM 592 CD1 LEU A 43 17.432 -13.827 -28.453 1.00 15.11 C ATOM 593 CD2 LEU A 43 16.247 -11.676 -27.975 1.00 33.10 C ATOM 0 H LEU A 43 17.752 -15.228 -25.675 1.00 74.11 H new ATOM 0 HA LEU A 43 19.678 -13.147 -26.196 1.00 74.20 H new ATOM 0 HB2 LEU A 43 16.720 -13.314 -25.819 1.00 74.34 H new ATOM 0 HB3 LEU A 43 17.502 -11.755 -25.645 1.00 74.34 H new ATOM 0 HG LEU A 43 18.391 -11.978 -27.932 1.00 5.03 H new ATOM 0 HD11 LEU A 43 17.359 -13.599 -29.516 1.00 15.11 H new ATOM 0 HD12 LEU A 43 18.338 -14.403 -28.267 1.00 15.11 H new ATOM 0 HD13 LEU A 43 16.563 -14.409 -28.146 1.00 15.11 H new ATOM 0 HD21 LEU A 43 16.187 -11.527 -29.053 1.00 33.10 H new ATOM 0 HD22 LEU A 43 15.354 -12.198 -27.631 1.00 33.10 H new ATOM 0 HD23 LEU A 43 16.315 -10.708 -27.479 1.00 33.10 H new ATOM 605 N ALA A 44 18.523 -13.670 -23.188 1.00 55.14 N ATOM 606 CA ALA A 44 18.722 -13.349 -21.726 1.00 61.30 C ATOM 607 C ALA A 44 20.207 -13.468 -21.334 1.00 62.44 C ATOM 608 O ALA A 44 20.674 -12.766 -20.446 1.00 33.42 O ATOM 609 CB ALA A 44 17.843 -14.281 -20.852 1.00 30.21 C ATOM 0 H ALA A 44 17.945 -14.492 -23.363 1.00 55.14 H new ATOM 0 HA ALA A 44 18.415 -12.318 -21.552 1.00 61.30 H new ATOM 0 HB1 ALA A 44 17.994 -14.042 -19.799 1.00 30.21 H new ATOM 0 HB2 ALA A 44 16.794 -14.139 -21.110 1.00 30.21 H new ATOM 0 HB3 ALA A 44 18.123 -15.319 -21.032 1.00 30.21 H new ATOM 615 N MET A 45 20.948 -14.351 -21.975 1.00 74.23 N ATOM 616 CA MET A 45 22.379 -14.446 -21.761 1.00 2.05 C ATOM 617 C MET A 45 23.076 -13.136 -22.118 1.00 3.03 C ATOM 618 O MET A 45 24.065 -12.768 -21.497 1.00 12.23 O ATOM 619 CB MET A 45 22.992 -15.585 -22.568 1.00 13.35 C ATOM 620 CG MET A 45 22.545 -16.967 -22.128 1.00 14.55 C ATOM 621 SD MET A 45 23.148 -18.261 -23.244 1.00 63.23 S ATOM 622 CE MET A 45 24.906 -18.354 -22.744 1.00 75.12 C ATOM 0 H MET A 45 20.579 -15.018 -22.653 1.00 74.23 H new ATOM 0 HA MET A 45 22.528 -14.652 -20.701 1.00 2.05 H new ATOM 0 HB2 MET A 45 22.737 -15.450 -23.619 1.00 13.35 H new ATOM 0 HB3 MET A 45 24.078 -15.525 -22.494 1.00 13.35 H new ATOM 0 HG2 MET A 45 22.907 -17.161 -21.118 1.00 14.55 H new ATOM 0 HG3 MET A 45 21.456 -17.001 -22.088 1.00 14.55 H new ATOM 0 HE1 MET A 45 25.402 -19.146 -23.305 1.00 75.12 H new ATOM 0 HE2 MET A 45 25.394 -17.402 -22.951 1.00 75.12 H new ATOM 0 HE3 MET A 45 24.970 -18.570 -21.678 1.00 75.12 H new ATOM 632 N ARG A 46 22.557 -12.421 -23.106 1.00 13.44 N ATOM 633 CA ARG A 46 23.134 -11.136 -23.507 1.00 71.15 C ATOM 634 C ARG A 46 22.822 -10.109 -22.434 1.00 52.34 C ATOM 635 O ARG A 46 23.643 -9.262 -22.132 1.00 41.42 O ATOM 636 CB ARG A 46 22.535 -10.633 -24.828 1.00 33.45 C ATOM 637 CG ARG A 46 22.567 -11.630 -25.998 1.00 32.40 C ATOM 638 CD ARG A 46 23.971 -11.941 -26.471 1.00 64.23 C ATOM 639 NE ARG A 46 23.939 -12.784 -27.688 1.00 10.13 N ATOM 640 CZ ARG A 46 25.007 -13.198 -28.360 1.00 53.05 C ATOM 641 NH1 ARG A 46 26.222 -12.895 -27.990 1.00 23.35 N ATOM 642 NH2 ARG A 46 24.843 -13.933 -29.426 1.00 44.34 N ATOM 0 H ARG A 46 21.739 -12.704 -23.646 1.00 13.44 H new ATOM 0 HA ARG A 46 24.207 -11.274 -23.637 1.00 71.15 H new ATOM 0 HB2 ARG A 46 21.499 -10.344 -24.649 1.00 33.45 H new ATOM 0 HB3 ARG A 46 23.070 -9.732 -25.128 1.00 33.45 H new ATOM 0 HG2 ARG A 46 22.079 -12.556 -25.693 1.00 32.40 H new ATOM 0 HG3 ARG A 46 21.991 -11.225 -26.830 1.00 32.40 H new ATOM 0 HD2 ARG A 46 24.504 -11.013 -26.679 1.00 64.23 H new ATOM 0 HD3 ARG A 46 24.521 -12.454 -25.682 1.00 64.23 H new ATOM 0 HE ARG A 46 23.024 -13.069 -28.038 1.00 10.13 H new ATOM 0 HH11 ARG A 46 26.374 -12.322 -27.160 1.00 23.35 H new ATOM 0 HH12 ARG A 46 27.019 -13.231 -28.531 1.00 23.35 H new ATOM 0 HH21 ARG A 46 23.903 -14.183 -29.734 1.00 44.34 H new ATOM 0 HH22 ARG A 46 25.655 -14.258 -29.951 1.00 44.34 H new ATOM 656 N LEU A 47 21.631 -10.204 -21.859 1.00 64.44 N ATOM 657 CA LEU A 47 21.193 -9.295 -20.806 1.00 10.52 C ATOM 658 C LEU A 47 22.110 -9.401 -19.599 1.00 35.42 C ATOM 659 O LEU A 47 22.457 -8.398 -18.997 1.00 73.24 O ATOM 660 CB LEU A 47 19.747 -9.624 -20.419 1.00 4.42 C ATOM 661 CG LEU A 47 19.104 -8.722 -19.365 1.00 11.43 C ATOM 662 CD1 LEU A 47 18.882 -7.306 -19.870 1.00 33.33 C ATOM 663 CD2 LEU A 47 17.797 -9.335 -18.981 1.00 5.44 C ATOM 0 H LEU A 47 20.941 -10.912 -22.108 1.00 64.44 H new ATOM 0 HA LEU A 47 21.238 -8.270 -21.173 1.00 10.52 H new ATOM 0 HB2 LEU A 47 19.135 -9.587 -21.320 1.00 4.42 H new ATOM 0 HB3 LEU A 47 19.716 -10.651 -20.055 1.00 4.42 H new ATOM 0 HG LEU A 47 19.776 -8.645 -18.510 1.00 11.43 H new ATOM 0 HD11 LEU A 47 18.423 -6.707 -19.083 1.00 33.33 H new ATOM 0 HD12 LEU A 47 19.839 -6.866 -20.150 1.00 33.33 H new ATOM 0 HD13 LEU A 47 18.224 -7.329 -20.739 1.00 33.33 H new ATOM 0 HD21 LEU A 47 17.311 -8.714 -18.228 1.00 5.44 H new ATOM 0 HD22 LEU A 47 17.157 -9.407 -19.860 1.00 5.44 H new ATOM 0 HD23 LEU A 47 17.968 -10.332 -18.574 1.00 5.44 H new ATOM 675 N ILE A 48 22.529 -10.616 -19.265 1.00 43.12 N ATOM 676 CA ILE A 48 23.400 -10.815 -18.107 1.00 54.43 C ATOM 677 C ILE A 48 24.698 -10.038 -18.318 1.00 70.20 C ATOM 678 O ILE A 48 25.155 -9.317 -17.436 1.00 12.10 O ATOM 679 CB ILE A 48 23.741 -12.326 -17.869 1.00 21.12 C ATOM 680 CG1 ILE A 48 22.452 -13.140 -17.620 1.00 64.02 C ATOM 681 CG2 ILE A 48 24.759 -12.467 -16.679 1.00 50.11 C ATOM 682 CD1 ILE A 48 22.669 -14.650 -17.503 1.00 24.14 C ATOM 0 H ILE A 48 22.286 -11.468 -19.769 1.00 43.12 H new ATOM 0 HA ILE A 48 22.867 -10.454 -17.228 1.00 54.43 H new ATOM 0 HB ILE A 48 24.213 -12.732 -18.764 1.00 21.12 H new ATOM 0 HG12 ILE A 48 21.982 -12.781 -16.705 1.00 64.02 H new ATOM 0 HG13 ILE A 48 21.753 -12.948 -18.434 1.00 64.02 H new ATOM 0 HG21 ILE A 48 24.990 -13.520 -16.521 1.00 50.11 H new ATOM 0 HG22 ILE A 48 25.675 -11.926 -16.918 1.00 50.11 H new ATOM 0 HG23 ILE A 48 24.319 -12.052 -15.772 1.00 50.11 H new ATOM 0 HD11 ILE A 48 21.712 -15.143 -17.329 1.00 24.14 H new ATOM 0 HD12 ILE A 48 23.109 -15.027 -18.426 1.00 24.14 H new ATOM 0 HD13 ILE A 48 23.341 -14.858 -16.670 1.00 24.14 H new ATOM 694 N ALA A 49 25.285 -10.191 -19.499 1.00 35.33 N ATOM 695 CA ALA A 49 26.550 -9.543 -19.804 1.00 32.24 C ATOM 696 C ALA A 49 26.429 -8.037 -19.781 1.00 74.23 C ATOM 697 O ALA A 49 27.249 -7.353 -19.163 1.00 42.30 O ATOM 698 CB ALA A 49 27.049 -10.041 -21.165 1.00 23.04 C ATOM 0 H ALA A 49 24.905 -10.757 -20.258 1.00 35.33 H new ATOM 0 HA ALA A 49 27.276 -9.805 -19.034 1.00 32.24 H new ATOM 0 HB1 ALA A 49 27.998 -9.560 -21.403 1.00 23.04 H new ATOM 0 HB2 ALA A 49 27.189 -11.121 -21.128 1.00 23.04 H new ATOM 0 HB3 ALA A 49 26.316 -9.796 -21.933 1.00 23.04 H new ATOM 704 N ARG A 50 25.393 -7.491 -20.411 1.00 53.00 N ATOM 705 CA ARG A 50 25.231 -6.020 -20.473 1.00 32.55 C ATOM 706 C ARG A 50 24.972 -5.443 -19.097 1.00 55.41 C ATOM 707 O ARG A 50 25.535 -4.414 -18.758 1.00 72.34 O ATOM 708 CB ARG A 50 24.050 -5.671 -21.395 1.00 23.14 C ATOM 709 CG ARG A 50 24.281 -5.940 -22.885 1.00 21.10 C ATOM 710 CD ARG A 50 25.153 -4.839 -23.534 1.00 54.24 C ATOM 711 NE ARG A 50 24.463 -3.541 -23.633 1.00 3.14 N ATOM 712 CZ ARG A 50 25.057 -2.361 -23.805 1.00 10.33 C ATOM 713 NH1 ARG A 50 26.365 -2.235 -23.887 1.00 50.14 N ATOM 714 NH2 ARG A 50 24.328 -1.284 -23.883 1.00 5.53 N ATOM 0 H ARG A 50 24.660 -8.022 -20.881 1.00 53.00 H new ATOM 0 HA ARG A 50 26.154 -5.591 -20.864 1.00 32.55 H new ATOM 0 HB2 ARG A 50 23.178 -6.239 -21.071 1.00 23.14 H new ATOM 0 HB3 ARG A 50 23.809 -4.616 -21.266 1.00 23.14 H new ATOM 0 HG2 ARG A 50 24.765 -6.909 -23.010 1.00 21.10 H new ATOM 0 HG3 ARG A 50 23.321 -5.995 -23.399 1.00 21.10 H new ATOM 0 HD2 ARG A 50 26.066 -4.715 -22.951 1.00 54.24 H new ATOM 0 HD3 ARG A 50 25.453 -5.162 -24.531 1.00 54.24 H new ATOM 0 HE ARG A 50 23.445 -3.546 -23.564 1.00 3.14 H new ATOM 0 HH11 ARG A 50 26.962 -3.059 -23.819 1.00 50.14 H new ATOM 0 HH12 ARG A 50 26.781 -1.313 -24.019 1.00 50.14 H new ATOM 0 HH21 ARG A 50 23.313 -1.349 -23.812 1.00 5.53 H new ATOM 0 HH22 ARG A 50 24.773 -0.376 -24.015 1.00 5.53 H new ATOM 728 N ILE A 51 24.158 -6.094 -18.290 1.00 64.11 N ATOM 729 CA ILE A 51 23.915 -5.605 -16.930 1.00 10.34 C ATOM 730 C ILE A 51 25.226 -5.665 -16.159 1.00 41.45 C ATOM 731 O ILE A 51 25.550 -4.725 -15.423 1.00 52.30 O ATOM 732 CB ILE A 51 22.810 -6.429 -16.189 1.00 75.03 C ATOM 733 CG1 ILE A 51 21.429 -6.137 -16.813 1.00 74.34 C ATOM 734 CG2 ILE A 51 22.776 -6.054 -14.687 1.00 2.42 C ATOM 735 CD1 ILE A 51 20.289 -7.019 -16.280 1.00 31.34 C ATOM 0 H ILE A 51 23.658 -6.948 -18.537 1.00 64.11 H new ATOM 0 HA ILE A 51 23.549 -4.580 -16.989 1.00 10.34 H new ATOM 0 HB ILE A 51 23.043 -7.489 -16.291 1.00 75.03 H new ATOM 0 HG12 ILE A 51 21.177 -5.092 -16.633 1.00 74.34 H new ATOM 0 HG13 ILE A 51 21.498 -6.267 -17.893 1.00 74.34 H new ATOM 0 HG21 ILE A 51 22.003 -6.635 -14.184 1.00 2.42 H new ATOM 0 HG22 ILE A 51 23.744 -6.271 -14.236 1.00 2.42 H new ATOM 0 HG23 ILE A 51 22.557 -4.991 -14.582 1.00 2.42 H new ATOM 0 HD11 ILE A 51 19.356 -6.745 -16.773 1.00 31.34 H new ATOM 0 HD12 ILE A 51 20.513 -8.066 -16.484 1.00 31.34 H new ATOM 0 HD13 ILE A 51 20.188 -6.872 -15.205 1.00 31.34 H new ATOM 747 N ARG A 52 26.003 -6.727 -16.316 1.00 12.23 N ATOM 748 CA ARG A 52 27.255 -6.834 -15.568 1.00 42.52 C ATOM 749 C ARG A 52 28.228 -5.760 -16.024 1.00 72.44 C ATOM 750 O ARG A 52 28.894 -5.158 -15.199 1.00 34.22 O ATOM 751 CB ARG A 52 27.856 -8.241 -15.748 1.00 61.13 C ATOM 752 CG ARG A 52 28.901 -8.641 -14.680 1.00 72.41 C ATOM 753 CD ARG A 52 30.307 -8.081 -14.925 1.00 73.51 C ATOM 754 NE ARG A 52 30.803 -8.417 -16.268 1.00 12.12 N ATOM 755 CZ ARG A 52 31.413 -9.540 -16.613 1.00 14.32 C ATOM 756 NH1 ARG A 52 31.642 -10.514 -15.766 1.00 35.11 N ATOM 757 NH2 ARG A 52 31.797 -9.674 -17.845 1.00 13.31 N ATOM 0 H ARG A 52 25.800 -7.510 -16.937 1.00 12.23 H new ATOM 0 HA ARG A 52 27.056 -6.682 -14.507 1.00 42.52 H new ATOM 0 HB2 ARG A 52 27.047 -8.971 -15.735 1.00 61.13 H new ATOM 0 HB3 ARG A 52 28.322 -8.299 -16.732 1.00 61.13 H new ATOM 0 HG2 ARG A 52 28.553 -8.301 -13.704 1.00 72.41 H new ATOM 0 HG3 ARG A 52 28.959 -9.729 -14.636 1.00 72.41 H new ATOM 0 HD2 ARG A 52 30.293 -6.998 -14.803 1.00 73.51 H new ATOM 0 HD3 ARG A 52 30.992 -8.477 -14.175 1.00 73.51 H new ATOM 0 HE ARG A 52 30.664 -7.721 -17.001 1.00 12.12 H new ATOM 0 HH11 ARG A 52 31.346 -10.425 -14.794 1.00 35.11 H new ATOM 0 HH12 ARG A 52 32.116 -11.361 -16.079 1.00 35.11 H new ATOM 0 HH21 ARG A 52 31.626 -8.926 -18.517 1.00 13.31 H new ATOM 0 HH22 ARG A 52 32.270 -10.528 -18.142 1.00 13.31 H new ATOM 771 N GLU A 53 28.288 -5.519 -17.316 1.00 2.23 N ATOM 772 CA GLU A 53 29.186 -4.498 -17.870 1.00 64.44 C ATOM 773 C GLU A 53 28.856 -3.095 -17.356 1.00 14.41 C ATOM 774 O GLU A 53 29.749 -2.349 -16.971 1.00 73.33 O ATOM 775 CB GLU A 53 29.088 -4.504 -19.402 1.00 41.35 C ATOM 776 CG GLU A 53 30.246 -5.221 -20.120 1.00 42.24 C ATOM 777 CD GLU A 53 30.289 -6.737 -19.840 1.00 62.20 C ATOM 778 OE1 GLU A 53 30.819 -7.121 -18.766 1.00 14.23 O ATOM 779 OE2 GLU A 53 29.894 -7.548 -20.708 1.00 23.53 O ATOM 0 H GLU A 53 27.729 -6.011 -18.013 1.00 2.23 H new ATOM 0 HA GLU A 53 30.197 -4.745 -17.547 1.00 64.44 H new ATOM 0 HB2 GLU A 53 28.150 -4.979 -19.690 1.00 41.35 H new ATOM 0 HB3 GLU A 53 29.044 -3.473 -19.753 1.00 41.35 H new ATOM 0 HG2 GLU A 53 30.155 -5.059 -21.194 1.00 42.24 H new ATOM 0 HG3 GLU A 53 31.190 -4.774 -19.809 1.00 42.24 H new ATOM 786 N GLU A 54 27.581 -2.741 -17.358 1.00 15.14 N ATOM 787 CA GLU A 54 27.163 -1.386 -17.022 1.00 13.42 C ATOM 788 C GLU A 54 26.957 -1.120 -15.524 1.00 34.02 C ATOM 789 O GLU A 54 27.218 -0.029 -15.036 1.00 12.13 O ATOM 790 CB GLU A 54 25.856 -1.087 -17.771 1.00 74.35 C ATOM 791 CG GLU A 54 25.946 -1.177 -19.303 1.00 51.31 C ATOM 792 CD GLU A 54 26.814 -0.073 -19.897 1.00 52.45 C ATOM 793 OE1 GLU A 54 26.661 1.090 -19.488 1.00 54.22 O ATOM 794 OE2 GLU A 54 27.595 -0.369 -20.844 1.00 24.24 O ATOM 0 H GLU A 54 26.815 -3.373 -17.589 1.00 15.14 H new ATOM 0 HA GLU A 54 27.979 -0.729 -17.323 1.00 13.42 H new ATOM 0 HB2 GLU A 54 25.091 -1.782 -17.426 1.00 74.35 H new ATOM 0 HB3 GLU A 54 25.522 -0.085 -17.501 1.00 74.35 H new ATOM 0 HG2 GLU A 54 26.354 -2.148 -19.584 1.00 51.31 H new ATOM 0 HG3 GLU A 54 24.944 -1.117 -19.728 1.00 51.31 H new ATOM 801 N LEU A 55 26.455 -2.114 -14.799 1.00 32.41 N ATOM 802 CA LEU A 55 26.110 -1.945 -13.382 1.00 4.10 C ATOM 803 C LEU A 55 27.094 -2.656 -12.447 1.00 11.11 C ATOM 804 O LEU A 55 27.028 -2.490 -11.231 1.00 34.20 O ATOM 805 CB LEU A 55 24.694 -2.467 -13.101 1.00 34.22 C ATOM 806 CG LEU A 55 23.478 -1.572 -13.406 1.00 24.41 C ATOM 807 CD1 LEU A 55 23.430 -0.381 -12.448 1.00 0.24 C ATOM 808 CD2 LEU A 55 23.441 -1.068 -14.850 1.00 62.11 C ATOM 0 H LEU A 55 26.276 -3.049 -15.165 1.00 32.41 H new ATOM 0 HA LEU A 55 26.163 -0.875 -13.182 1.00 4.10 H new ATOM 0 HB2 LEU A 55 24.569 -3.391 -13.666 1.00 34.22 H new ATOM 0 HB3 LEU A 55 24.648 -2.731 -12.044 1.00 34.22 H new ATOM 0 HG LEU A 55 22.600 -2.203 -13.263 1.00 24.41 H new ATOM 0 HD11 LEU A 55 22.564 0.238 -12.681 1.00 0.24 H new ATOM 0 HD12 LEU A 55 23.353 -0.742 -11.422 1.00 0.24 H new ATOM 0 HD13 LEU A 55 24.339 0.211 -12.557 1.00 0.24 H new ATOM 0 HD21 LEU A 55 22.559 -0.444 -14.995 1.00 62.11 H new ATOM 0 HD22 LEU A 55 24.337 -0.482 -15.054 1.00 62.11 H new ATOM 0 HD23 LEU A 55 23.400 -1.918 -15.531 1.00 62.11 H new ATOM 820 N GLY A 56 27.977 -3.474 -13.001 1.00 2.11 N ATOM 821 CA GLY A 56 28.966 -4.179 -12.190 1.00 24.14 C ATOM 822 C GLY A 56 28.428 -5.345 -11.388 1.00 20.45 C ATOM 823 O GLY A 56 29.067 -5.778 -10.432 1.00 13.00 O ATOM 0 H GLY A 56 28.031 -3.667 -14.001 1.00 2.11 H new ATOM 0 HA2 GLY A 56 29.757 -4.544 -12.846 1.00 24.14 H new ATOM 0 HA3 GLY A 56 29.424 -3.467 -11.504 1.00 24.14 H new ATOM 827 N VAL A 57 27.257 -5.854 -11.743 1.00 74.02 N ATOM 828 CA VAL A 57 26.639 -6.947 -10.974 1.00 14.54 C ATOM 829 C VAL A 57 26.436 -8.229 -11.790 1.00 30.31 C ATOM 830 O VAL A 57 25.845 -8.232 -12.864 1.00 51.31 O ATOM 831 CB VAL A 57 25.289 -6.497 -10.309 1.00 22.50 C ATOM 832 CG1 VAL A 57 25.541 -5.395 -9.250 1.00 3.30 C ATOM 833 CG2 VAL A 57 24.278 -5.983 -11.357 1.00 33.03 C ATOM 0 H VAL A 57 26.714 -5.539 -12.547 1.00 74.02 H new ATOM 0 HA VAL A 57 27.353 -7.187 -10.186 1.00 14.54 H new ATOM 0 HB VAL A 57 24.863 -7.375 -9.824 1.00 22.50 H new ATOM 0 HG11 VAL A 57 24.593 -5.098 -8.802 1.00 3.30 H new ATOM 0 HG12 VAL A 57 26.204 -5.780 -8.475 1.00 3.30 H new ATOM 0 HG13 VAL A 57 26.004 -4.531 -9.727 1.00 3.30 H new ATOM 0 HG21 VAL A 57 23.357 -5.681 -10.857 1.00 33.03 H new ATOM 0 HG22 VAL A 57 24.702 -5.128 -11.883 1.00 33.03 H new ATOM 0 HG23 VAL A 57 24.060 -6.777 -12.072 1.00 33.03 H new ATOM 843 N ASP A 58 26.945 -9.330 -11.259 1.00 13.01 N ATOM 844 CA ASP A 58 26.776 -10.643 -11.896 1.00 65.01 C ATOM 845 C ASP A 58 25.386 -11.182 -11.558 1.00 11.33 C ATOM 846 O ASP A 58 25.093 -11.481 -10.391 1.00 32.02 O ATOM 847 CB ASP A 58 27.845 -11.621 -11.390 1.00 40.14 C ATOM 848 CG ASP A 58 27.772 -12.983 -12.085 1.00 23.23 C ATOM 849 OD1 ASP A 58 26.959 -13.149 -13.022 1.00 12.21 O ATOM 850 OD2 ASP A 58 28.543 -13.881 -11.696 1.00 53.31 O ATOM 0 H ASP A 58 27.479 -9.349 -10.390 1.00 13.01 H new ATOM 0 HA ASP A 58 26.883 -10.538 -12.976 1.00 65.01 H new ATOM 0 HB2 ASP A 58 28.833 -11.188 -11.549 1.00 40.14 H new ATOM 0 HB3 ASP A 58 27.727 -11.759 -10.315 1.00 40.14 H new ATOM 855 N LEU A 59 24.521 -11.291 -12.557 1.00 73.53 N ATOM 856 CA LEU A 59 23.164 -11.798 -12.365 1.00 12.42 C ATOM 857 C LEU A 59 23.040 -13.216 -12.944 1.00 21.23 C ATOM 858 O LEU A 59 22.977 -13.407 -14.153 1.00 10.54 O ATOM 859 CB LEU A 59 22.163 -10.854 -13.038 1.00 0.40 C ATOM 860 CG LEU A 59 20.677 -11.217 -12.869 1.00 13.12 C ATOM 861 CD1 LEU A 59 20.262 -11.119 -11.382 1.00 13.23 C ATOM 862 CD2 LEU A 59 19.861 -10.274 -13.730 1.00 13.44 C ATOM 0 H LEU A 59 24.736 -11.033 -13.520 1.00 73.53 H new ATOM 0 HA LEU A 59 22.945 -11.844 -11.298 1.00 12.42 H new ATOM 0 HB2 LEU A 59 22.319 -9.850 -12.644 1.00 0.40 H new ATOM 0 HB3 LEU A 59 22.389 -10.816 -14.104 1.00 0.40 H new ATOM 0 HG LEU A 59 20.500 -12.245 -13.185 1.00 13.12 H new ATOM 0 HD11 LEU A 59 19.208 -11.379 -11.280 1.00 13.23 H new ATOM 0 HD12 LEU A 59 20.864 -11.808 -10.790 1.00 13.23 H new ATOM 0 HD13 LEU A 59 20.420 -10.101 -11.026 1.00 13.23 H new ATOM 0 HD21 LEU A 59 18.802 -10.512 -13.627 1.00 13.44 H new ATOM 0 HD22 LEU A 59 20.035 -9.247 -13.410 1.00 13.44 H new ATOM 0 HD23 LEU A 59 20.158 -10.385 -14.773 1.00 13.44 H new ATOM 874 N PRO A 60 22.988 -14.241 -12.080 1.00 41.43 N ATOM 875 CA PRO A 60 22.914 -15.578 -12.679 1.00 14.24 C ATOM 876 C PRO A 60 21.563 -15.868 -13.334 1.00 34.45 C ATOM 877 O PRO A 60 20.516 -15.394 -12.892 1.00 62.30 O ATOM 878 CB PRO A 60 23.174 -16.500 -11.491 1.00 52.43 C ATOM 879 CG PRO A 60 22.648 -15.755 -10.328 1.00 11.34 C ATOM 880 CD PRO A 60 23.030 -14.314 -10.606 1.00 45.11 C ATOM 0 HA PRO A 60 23.626 -15.704 -13.494 1.00 14.24 H new ATOM 0 HB2 PRO A 60 22.667 -17.457 -11.612 1.00 52.43 H new ATOM 0 HB3 PRO A 60 24.237 -16.714 -11.379 1.00 52.43 H new ATOM 0 HG2 PRO A 60 21.568 -15.870 -10.237 1.00 11.34 H new ATOM 0 HG3 PRO A 60 23.087 -16.111 -9.396 1.00 11.34 H new ATOM 0 HD2 PRO A 60 22.331 -13.615 -10.147 1.00 45.11 H new ATOM 0 HD3 PRO A 60 24.020 -14.076 -10.218 1.00 45.11 H new ATOM 888 N ILE A 61 21.581 -16.690 -14.379 1.00 62.13 N ATOM 889 CA ILE A 61 20.371 -17.020 -15.143 1.00 21.43 C ATOM 890 C ILE A 61 19.258 -17.628 -14.271 1.00 3.40 C ATOM 891 O ILE A 61 18.077 -17.394 -14.510 1.00 35.22 O ATOM 892 CB ILE A 61 20.728 -17.978 -16.353 1.00 11.42 C ATOM 893 CG1 ILE A 61 19.548 -18.118 -17.339 1.00 72.22 C ATOM 894 CG2 ILE A 61 21.181 -19.378 -15.865 1.00 53.53 C ATOM 895 CD1 ILE A 61 19.237 -16.847 -18.143 1.00 14.22 C ATOM 0 H ILE A 61 22.426 -17.146 -14.722 1.00 62.13 H new ATOM 0 HA ILE A 61 19.976 -16.082 -15.534 1.00 21.43 H new ATOM 0 HB ILE A 61 21.562 -17.513 -16.879 1.00 11.42 H new ATOM 0 HG12 ILE A 61 19.766 -18.929 -18.034 1.00 72.22 H new ATOM 0 HG13 ILE A 61 18.657 -18.407 -16.781 1.00 72.22 H new ATOM 0 HG21 ILE A 61 21.417 -20.005 -16.725 1.00 53.53 H new ATOM 0 HG22 ILE A 61 22.066 -19.276 -15.237 1.00 53.53 H new ATOM 0 HG23 ILE A 61 20.379 -19.840 -15.289 1.00 53.53 H new ATOM 0 HD11 ILE A 61 18.395 -17.035 -18.810 1.00 14.22 H new ATOM 0 HD12 ILE A 61 18.984 -16.037 -17.459 1.00 14.22 H new ATOM 0 HD13 ILE A 61 20.110 -16.566 -18.732 1.00 14.22 H new ATOM 907 N ARG A 62 19.625 -18.346 -13.214 1.00 12.23 N ATOM 908 CA ARG A 62 18.625 -18.932 -12.319 1.00 4.33 C ATOM 909 C ARG A 62 17.815 -17.858 -11.616 1.00 55.33 C ATOM 910 O ARG A 62 16.629 -18.020 -11.364 1.00 43.11 O ATOM 911 CB ARG A 62 19.298 -19.839 -11.277 1.00 22.24 C ATOM 912 CG ARG A 62 18.324 -20.792 -10.596 1.00 73.14 C ATOM 913 CD ARG A 62 18.997 -21.574 -9.474 1.00 40.33 C ATOM 914 NE ARG A 62 18.092 -22.602 -8.918 1.00 72.11 N ATOM 915 CZ ARG A 62 17.156 -22.388 -7.996 1.00 2.31 C ATOM 916 NH1 ARG A 62 16.921 -21.204 -7.479 1.00 51.31 N ATOM 917 NH2 ARG A 62 16.436 -23.389 -7.586 1.00 74.43 N ATOM 0 H ARG A 62 20.593 -18.536 -12.956 1.00 12.23 H new ATOM 0 HA ARG A 62 17.948 -19.529 -12.930 1.00 4.33 H new ATOM 0 HB2 ARG A 62 20.084 -20.418 -11.762 1.00 22.24 H new ATOM 0 HB3 ARG A 62 19.779 -19.219 -10.521 1.00 22.24 H new ATOM 0 HG2 ARG A 62 17.483 -20.227 -10.193 1.00 73.14 H new ATOM 0 HG3 ARG A 62 17.919 -21.486 -11.332 1.00 73.14 H new ATOM 0 HD2 ARG A 62 19.902 -22.049 -9.851 1.00 40.33 H new ATOM 0 HD3 ARG A 62 19.302 -20.889 -8.683 1.00 40.33 H new ATOM 0 HE ARG A 62 18.193 -23.554 -9.270 1.00 72.11 H new ATOM 0 HH11 ARG A 62 17.467 -20.398 -7.782 1.00 51.31 H new ATOM 0 HH12 ARG A 62 16.192 -21.091 -6.775 1.00 51.31 H new ATOM 0 HH21 ARG A 62 16.592 -24.321 -7.970 1.00 74.43 H new ATOM 0 HH22 ARG A 62 15.714 -23.243 -6.880 1.00 74.43 H new ATOM 931 N GLN A 63 18.463 -16.746 -11.297 1.00 20.21 N ATOM 932 CA GLN A 63 17.797 -15.659 -10.610 1.00 33.43 C ATOM 933 C GLN A 63 16.919 -14.889 -11.583 1.00 72.53 C ATOM 934 O GLN A 63 15.832 -14.465 -11.234 1.00 52.41 O ATOM 935 CB GLN A 63 18.836 -14.746 -9.940 1.00 35.02 C ATOM 936 CG GLN A 63 18.239 -13.730 -8.980 1.00 34.50 C ATOM 937 CD GLN A 63 19.286 -13.108 -8.074 1.00 3.31 C ATOM 938 OE1 GLN A 63 20.419 -12.877 -8.480 1.00 74.12 O ATOM 939 NE2 GLN A 63 18.923 -12.858 -6.845 1.00 1.34 N ATOM 0 H GLN A 63 19.447 -16.577 -11.504 1.00 20.21 H new ATOM 0 HA GLN A 63 17.154 -16.062 -9.828 1.00 33.43 H new ATOM 0 HB2 GLN A 63 19.553 -15.364 -9.399 1.00 35.02 H new ATOM 0 HB3 GLN A 63 19.392 -14.216 -10.714 1.00 35.02 H new ATOM 0 HG2 GLN A 63 17.742 -12.945 -9.549 1.00 34.50 H new ATOM 0 HG3 GLN A 63 17.476 -14.214 -8.371 1.00 34.50 H new ATOM 0 HE21 GLN A 63 17.971 -13.064 -6.543 1.00 1.34 H new ATOM 0 HE22 GLN A 63 19.592 -12.457 -6.187 1.00 1.34 H new ATOM 948 N LEU A 64 17.355 -14.801 -12.832 1.00 40.12 N ATOM 949 CA LEU A 64 16.554 -14.182 -13.889 1.00 74.25 C ATOM 950 C LEU A 64 15.260 -14.954 -14.123 1.00 74.10 C ATOM 951 O LEU A 64 14.211 -14.373 -14.326 1.00 43.42 O ATOM 952 CB LEU A 64 17.358 -14.128 -15.190 1.00 3.24 C ATOM 953 CG LEU A 64 17.644 -12.705 -15.696 1.00 75.40 C ATOM 954 CD1 LEU A 64 18.710 -12.751 -16.778 1.00 21.10 C ATOM 955 CD2 LEU A 64 16.379 -12.025 -16.232 1.00 73.43 C ATOM 0 H LEU A 64 18.261 -15.151 -13.143 1.00 40.12 H new ATOM 0 HA LEU A 64 16.301 -13.171 -13.571 1.00 74.25 H new ATOM 0 HB2 LEU A 64 18.306 -14.645 -15.040 1.00 3.24 H new ATOM 0 HB3 LEU A 64 16.816 -14.674 -15.962 1.00 3.24 H new ATOM 0 HG LEU A 64 18.001 -12.115 -14.852 1.00 75.40 H new ATOM 0 HD11 LEU A 64 18.910 -11.741 -17.135 1.00 21.10 H new ATOM 0 HD12 LEU A 64 19.625 -13.180 -16.369 1.00 21.10 H new ATOM 0 HD13 LEU A 64 18.360 -13.366 -17.607 1.00 21.10 H new ATOM 0 HD21 LEU A 64 16.625 -11.022 -16.580 1.00 73.43 H new ATOM 0 HD22 LEU A 64 15.976 -12.607 -17.061 1.00 73.43 H new ATOM 0 HD23 LEU A 64 15.635 -11.962 -15.438 1.00 73.43 H new ATOM 967 N PHE A 65 15.322 -16.271 -14.034 1.00 72.05 N ATOM 968 CA PHE A 65 14.117 -17.084 -14.209 1.00 12.21 C ATOM 969 C PHE A 65 13.214 -17.004 -12.986 1.00 43.55 C ATOM 970 O PHE A 65 12.020 -17.275 -13.064 1.00 42.22 O ATOM 971 CB PHE A 65 14.475 -18.538 -14.513 1.00 71.13 C ATOM 972 CG PHE A 65 14.388 -18.874 -15.970 1.00 1.42 C ATOM 973 CD1 PHE A 65 15.453 -18.573 -16.838 1.00 33.40 C ATOM 974 CD2 PHE A 65 13.228 -19.475 -16.494 1.00 1.21 C ATOM 975 CE1 PHE A 65 15.367 -18.861 -18.219 1.00 40.15 C ATOM 976 CE2 PHE A 65 13.131 -19.772 -17.878 1.00 64.12 C ATOM 977 CZ PHE A 65 14.203 -19.462 -18.736 1.00 33.32 C ATOM 0 H PHE A 65 16.174 -16.799 -13.845 1.00 72.05 H new ATOM 0 HA PHE A 65 13.571 -16.679 -15.061 1.00 12.21 H new ATOM 0 HB2 PHE A 65 15.487 -18.738 -14.160 1.00 71.13 H new ATOM 0 HB3 PHE A 65 13.807 -19.194 -13.955 1.00 71.13 H new ATOM 0 HD1 PHE A 65 16.349 -18.116 -16.444 1.00 33.40 H new ATOM 0 HD2 PHE A 65 12.405 -19.712 -15.837 1.00 1.21 H new ATOM 0 HE1 PHE A 65 16.191 -18.621 -18.875 1.00 40.15 H new ATOM 0 HE2 PHE A 65 12.238 -20.234 -18.272 1.00 64.12 H new ATOM 0 HZ PHE A 65 14.133 -19.685 -19.790 1.00 33.32 H new ATOM 987 N SER A 66 13.787 -16.600 -11.860 1.00 53.20 N ATOM 988 CA SER A 66 13.013 -16.414 -10.620 1.00 5.14 C ATOM 989 C SER A 66 12.451 -14.997 -10.550 1.00 60.21 C ATOM 990 O SER A 66 11.678 -14.660 -9.656 1.00 43.41 O ATOM 991 CB SER A 66 13.920 -16.638 -9.415 1.00 43.45 C ATOM 992 OG SER A 66 14.536 -17.916 -9.495 1.00 21.10 O ATOM 0 H SER A 66 14.782 -16.393 -11.770 1.00 53.20 H new ATOM 0 HA SER A 66 12.191 -17.130 -10.614 1.00 5.14 H new ATOM 0 HB2 SER A 66 14.683 -15.860 -9.375 1.00 43.45 H new ATOM 0 HB3 SER A 66 13.340 -16.563 -8.495 1.00 43.45 H new ATOM 0 HG SER A 66 15.244 -17.896 -10.173 1.00 21.10 H new ATOM 998 N SER A 67 12.864 -14.155 -11.491 1.00 23.01 N ATOM 999 CA SER A 67 12.447 -12.751 -11.551 1.00 33.13 C ATOM 1000 C SER A 67 12.579 -12.234 -12.982 1.00 62.32 C ATOM 1001 O SER A 67 13.525 -11.524 -13.288 1.00 73.23 O ATOM 1002 CB SER A 67 13.343 -11.909 -10.646 1.00 31.24 C ATOM 1003 OG SER A 67 13.154 -12.271 -9.279 1.00 23.12 O ATOM 0 H SER A 67 13.501 -14.425 -12.240 1.00 23.01 H new ATOM 0 HA SER A 67 11.410 -12.678 -11.223 1.00 33.13 H new ATOM 0 HB2 SER A 67 14.387 -12.051 -10.925 1.00 31.24 H new ATOM 0 HB3 SER A 67 13.117 -10.851 -10.783 1.00 31.24 H new ATOM 0 HG SER A 67 12.524 -13.020 -9.223 1.00 23.12 H new ATOM 1009 N PRO A 68 11.683 -12.640 -13.901 1.00 64.32 N ATOM 1010 CA PRO A 68 11.917 -12.277 -15.310 1.00 22.03 C ATOM 1011 C PRO A 68 11.546 -10.842 -15.682 1.00 62.12 C ATOM 1012 O PRO A 68 11.850 -10.400 -16.780 1.00 63.41 O ATOM 1013 CB PRO A 68 11.042 -13.272 -16.055 1.00 22.41 C ATOM 1014 CG PRO A 68 9.879 -13.475 -15.163 1.00 15.11 C ATOM 1015 CD PRO A 68 10.483 -13.494 -13.766 1.00 31.33 C ATOM 0 HA PRO A 68 12.979 -12.318 -15.552 1.00 22.03 H new ATOM 0 HB2 PRO A 68 10.736 -12.883 -17.026 1.00 22.41 H new ATOM 0 HB3 PRO A 68 11.571 -14.207 -16.239 1.00 22.41 H new ATOM 0 HG2 PRO A 68 9.149 -12.673 -15.271 1.00 15.11 H new ATOM 0 HG3 PRO A 68 9.363 -14.408 -15.387 1.00 15.11 H new ATOM 0 HD2 PRO A 68 9.790 -13.099 -13.023 1.00 31.33 H new ATOM 0 HD3 PRO A 68 10.743 -14.506 -13.454 1.00 31.33 H new ATOM 1023 N THR A 69 10.873 -10.135 -14.780 1.00 32.12 N ATOM 1024 CA THR A 69 10.457 -8.745 -15.014 1.00 64.43 C ATOM 1025 C THR A 69 11.473 -7.790 -14.380 1.00 35.44 C ATOM 1026 O THR A 69 12.139 -8.149 -13.400 1.00 60.13 O ATOM 1027 CB THR A 69 9.084 -8.459 -14.370 1.00 24.52 C ATOM 1028 OG1 THR A 69 9.165 -8.680 -12.961 1.00 73.53 O ATOM 1029 CG2 THR A 69 8.005 -9.342 -14.920 1.00 22.34 C ATOM 0 H THR A 69 10.599 -10.502 -13.869 1.00 32.12 H new ATOM 0 HA THR A 69 10.395 -8.596 -16.092 1.00 64.43 H new ATOM 0 HB THR A 69 8.831 -7.423 -14.595 1.00 24.52 H new ATOM 0 HG1 THR A 69 8.294 -8.497 -12.551 1.00 73.53 H new ATOM 0 HG21 THR A 69 7.058 -9.103 -14.436 1.00 22.34 H new ATOM 0 HG22 THR A 69 7.915 -9.180 -15.994 1.00 22.34 H new ATOM 0 HG23 THR A 69 8.257 -10.385 -14.730 1.00 22.34 H new ATOM 1037 N PRO A 70 11.602 -6.552 -14.905 1.00 11.41 N ATOM 1038 CA PRO A 70 12.521 -5.601 -14.290 1.00 74.33 C ATOM 1039 C PRO A 70 12.305 -5.319 -12.810 1.00 2.01 C ATOM 1040 O PRO A 70 13.273 -5.270 -12.048 1.00 21.51 O ATOM 1041 CB PRO A 70 12.305 -4.336 -15.143 1.00 51.53 C ATOM 1042 CG PRO A 70 11.847 -4.850 -16.445 1.00 20.21 C ATOM 1043 CD PRO A 70 10.943 -5.958 -16.092 1.00 43.40 C ATOM 0 HA PRO A 70 13.537 -5.996 -14.287 1.00 74.33 H new ATOM 0 HB2 PRO A 70 11.564 -3.675 -14.693 1.00 51.53 H new ATOM 0 HB3 PRO A 70 13.226 -3.762 -15.244 1.00 51.53 H new ATOM 0 HG2 PRO A 70 11.330 -4.081 -17.019 1.00 20.21 H new ATOM 0 HG3 PRO A 70 12.682 -5.195 -17.054 1.00 20.21 H new ATOM 0 HD2 PRO A 70 9.938 -5.603 -15.862 1.00 43.40 H new ATOM 0 HD3 PRO A 70 10.848 -6.678 -16.905 1.00 43.40 H new ATOM 1051 N ALA A 71 11.059 -5.218 -12.379 1.00 44.40 N ATOM 1052 CA ALA A 71 10.805 -4.972 -10.968 1.00 73.34 C ATOM 1053 C ALA A 71 11.213 -6.165 -10.113 1.00 30.33 C ATOM 1054 O ALA A 71 11.579 -6.016 -8.936 1.00 70.54 O ATOM 1055 CB ALA A 71 9.298 -4.697 -10.747 1.00 23.11 C ATOM 0 H ALA A 71 10.228 -5.300 -12.965 1.00 44.40 H new ATOM 0 HA ALA A 71 11.398 -4.107 -10.671 1.00 73.34 H new ATOM 0 HB1 ALA A 71 9.113 -4.513 -9.689 1.00 23.11 H new ATOM 0 HB2 ALA A 71 8.999 -3.822 -11.325 1.00 23.11 H new ATOM 0 HB3 ALA A 71 8.719 -5.561 -11.072 1.00 23.11 H new ATOM 1061 N GLY A 72 11.228 -7.331 -10.706 1.00 14.05 N ATOM 1062 CA GLY A 72 11.678 -8.532 -10.027 1.00 61.21 C ATOM 1063 C GLY A 72 13.169 -8.507 -9.840 1.00 24.22 C ATOM 1064 O GLY A 72 13.666 -8.702 -8.739 1.00 63.51 O ATOM 0 H GLY A 72 10.931 -7.481 -11.670 1.00 14.05 H new ATOM 0 HA2 GLY A 72 11.186 -8.614 -9.058 1.00 61.21 H new ATOM 0 HA3 GLY A 72 11.393 -9.411 -10.605 1.00 61.21 H new ATOM 1068 N VAL A 73 13.907 -8.239 -10.923 1.00 41.34 N ATOM 1069 CA VAL A 73 15.369 -8.226 -10.872 1.00 23.23 C ATOM 1070 C VAL A 73 15.867 -7.145 -9.916 1.00 45.22 C ATOM 1071 O VAL A 73 16.829 -7.362 -9.176 1.00 2.42 O ATOM 1072 CB VAL A 73 15.980 -7.986 -12.295 1.00 11.44 C ATOM 1073 CG1 VAL A 73 17.509 -7.940 -12.228 1.00 31.14 C ATOM 1074 CG2 VAL A 73 15.551 -9.091 -13.258 1.00 32.20 C ATOM 0 H VAL A 73 13.516 -8.029 -11.841 1.00 41.34 H new ATOM 0 HA VAL A 73 15.693 -9.202 -10.510 1.00 23.23 H new ATOM 0 HB VAL A 73 15.609 -7.028 -12.659 1.00 11.44 H new ATOM 0 HG11 VAL A 73 17.912 -7.773 -13.227 1.00 31.14 H new ATOM 0 HG12 VAL A 73 17.820 -7.128 -11.570 1.00 31.14 H new ATOM 0 HG13 VAL A 73 17.885 -8.886 -11.839 1.00 31.14 H new ATOM 0 HG21 VAL A 73 15.985 -8.906 -14.240 1.00 32.20 H new ATOM 0 HG22 VAL A 73 15.897 -10.054 -12.884 1.00 32.20 H new ATOM 0 HG23 VAL A 73 14.464 -9.102 -13.338 1.00 32.20 H new ATOM 1084 N ALA A 74 15.223 -5.984 -9.912 1.00 61.33 N ATOM 1085 CA ALA A 74 15.681 -4.884 -9.069 1.00 72.25 C ATOM 1086 C ALA A 74 15.702 -5.237 -7.577 1.00 33.22 C ATOM 1087 O ALA A 74 16.685 -4.982 -6.881 1.00 61.03 O ATOM 1088 CB ALA A 74 14.814 -3.665 -9.305 1.00 50.12 C ATOM 0 H ALA A 74 14.396 -5.780 -10.473 1.00 61.33 H new ATOM 0 HA ALA A 74 16.712 -4.673 -9.352 1.00 72.25 H new ATOM 0 HB1 ALA A 74 15.159 -2.846 -8.674 1.00 50.12 H new ATOM 0 HB2 ALA A 74 14.880 -3.369 -10.352 1.00 50.12 H new ATOM 0 HB3 ALA A 74 13.779 -3.902 -9.059 1.00 50.12 H new ATOM 1094 N ARG A 75 14.634 -5.860 -7.082 1.00 0.12 N ATOM 1095 CA ARG A 75 14.589 -6.239 -5.668 1.00 40.52 C ATOM 1096 C ARG A 75 15.471 -7.451 -5.411 1.00 3.34 C ATOM 1097 O ARG A 75 16.037 -7.595 -4.332 1.00 22.51 O ATOM 1098 CB ARG A 75 13.144 -6.475 -5.214 1.00 21.25 C ATOM 1099 CG ARG A 75 12.396 -7.602 -5.907 1.00 74.50 C ATOM 1100 CD ARG A 75 10.989 -7.728 -5.336 1.00 10.13 C ATOM 1101 NE ARG A 75 10.220 -8.815 -5.962 1.00 52.32 N ATOM 1102 CZ ARG A 75 9.423 -8.687 -7.018 1.00 31.55 C ATOM 1103 NH1 ARG A 75 9.239 -7.543 -7.631 1.00 61.41 N ATOM 1104 NH2 ARG A 75 8.787 -9.736 -7.459 1.00 65.33 N ATOM 0 H ARG A 75 13.806 -6.109 -7.623 1.00 0.12 H new ATOM 0 HA ARG A 75 14.984 -5.416 -5.073 1.00 40.52 H new ATOM 0 HB2 ARG A 75 13.151 -6.677 -4.143 1.00 21.25 H new ATOM 0 HB3 ARG A 75 12.584 -5.551 -5.361 1.00 21.25 H new ATOM 0 HG2 ARG A 75 12.346 -7.410 -6.979 1.00 74.50 H new ATOM 0 HG3 ARG A 75 12.935 -8.540 -5.776 1.00 74.50 H new ATOM 0 HD2 ARG A 75 11.051 -7.904 -4.262 1.00 10.13 H new ATOM 0 HD3 ARG A 75 10.459 -6.786 -5.475 1.00 10.13 H new ATOM 0 HE ARG A 75 10.306 -9.745 -5.551 1.00 52.32 H new ATOM 0 HH11 ARG A 75 9.717 -6.705 -7.301 1.00 61.41 H new ATOM 0 HH12 ARG A 75 8.618 -7.491 -8.438 1.00 61.41 H new ATOM 0 HH21 ARG A 75 8.905 -10.637 -6.995 1.00 65.33 H new ATOM 0 HH22 ARG A 75 8.171 -9.656 -8.268 1.00 65.33 H new