USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.5,f=0) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.344 K(o=1.4,f=-8.4!) USER MOD Set 2.2: A 19 SER OG : rot -61:sc= 1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.315 F(o=-1.5,f=-0.32) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.821 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 43 SER OG : rot 72:sc= 0.235 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 13:sc= 1.01 USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.156 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.154) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.522 3.069 -1.422 1.00 0.00 N ATOM 152 CA GLY A 8 101.398 4.051 -1.505 1.00 0.00 C ATOM 153 C GLY A 8 101.524 4.911 -2.775 1.00 0.00 C ATOM 154 O GLY A 8 100.682 5.750 -3.037 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.445 3.522 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.402 4.692 -0.623 1.00 0.00 H new ATOM 158 N SER A 9 102.562 4.718 -3.561 1.00 0.00 N ATOM 159 CA SER A 9 102.734 5.539 -4.801 1.00 0.00 C ATOM 160 C SER A 9 101.986 4.891 -5.968 1.00 0.00 C ATOM 161 O SER A 9 101.957 3.681 -6.098 1.00 0.00 O ATOM 162 CB SER A 9 104.238 5.554 -5.070 1.00 0.00 C ATOM 163 OG SER A 9 104.509 6.411 -6.173 1.00 0.00 O ATOM 0 H SER A 9 103.295 4.028 -3.395 1.00 0.00 H new ATOM 0 HA SER A 9 102.335 6.547 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.774 5.899 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.591 4.545 -5.283 1.00 0.00 H new ATOM 0 HG SER A 9 105.473 6.425 -6.348 1.00 0.00 H new ATOM 169 N ASN A 10 101.384 5.688 -6.817 1.00 0.00 N ATOM 170 CA ASN A 10 100.662 5.125 -7.998 1.00 0.00 C ATOM 171 C ASN A 10 101.592 5.093 -9.212 1.00 0.00 C ATOM 172 O ASN A 10 102.013 6.121 -9.712 1.00 0.00 O ATOM 173 CB ASN A 10 99.491 6.078 -8.243 1.00 0.00 C ATOM 174 CG ASN A 10 98.431 5.379 -9.097 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.754 4.613 -9.983 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.167 5.613 -8.866 1.00 0.00 N ATOM 0 H ASN A 10 101.362 6.705 -6.742 1.00 0.00 H new ATOM 0 HA ASN A 10 100.322 4.103 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.059 6.391 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.841 6.979 -8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.452 5.153 -9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.895 6.256 -8.122 1.00 0.00 H new ATOM 183 N VAL A 11 101.909 3.915 -9.685 1.00 0.00 N ATOM 184 CA VAL A 11 102.801 3.785 -10.878 1.00 0.00 C ATOM 185 C VAL A 11 102.148 2.863 -11.910 1.00 0.00 C ATOM 186 O VAL A 11 101.253 2.103 -11.584 1.00 0.00 O ATOM 187 CB VAL A 11 104.115 3.179 -10.353 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.768 4.147 -9.364 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.847 1.842 -9.645 1.00 0.00 C ATOM 0 H VAL A 11 101.586 3.030 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 11 102.980 4.743 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 11 104.780 3.007 -11.200 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.698 3.716 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.980 5.091 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.092 4.324 -8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.787 1.428 -9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.172 2.004 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.391 1.144 -10.347 1.00 0.00 H new ATOM 199 N GLU A 12 102.582 2.920 -13.146 1.00 0.00 N ATOM 200 CA GLU A 12 102.087 1.944 -14.159 1.00 0.00 C ATOM 201 C GLU A 12 103.262 1.121 -14.691 1.00 0.00 C ATOM 202 O GLU A 12 104.367 1.612 -14.806 1.00 0.00 O ATOM 203 CB GLU A 12 101.465 2.800 -15.268 1.00 0.00 C ATOM 204 CG GLU A 12 100.845 1.893 -16.339 1.00 0.00 C ATOM 205 CD GLU A 12 100.055 2.742 -17.339 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.552 3.789 -17.724 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.967 2.331 -17.703 1.00 0.00 O ATOM 0 H GLU A 12 103.257 3.601 -13.494 1.00 0.00 H new ATOM 0 HA GLU A 12 101.363 1.240 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.703 3.457 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.225 3.440 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.627 1.338 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.189 1.159 -15.872 1.00 0.00 H new ATOM 214 N VAL A 13 103.029 -0.126 -15.008 1.00 0.00 N ATOM 215 CA VAL A 13 104.125 -0.986 -15.544 1.00 0.00 C ATOM 216 C VAL A 13 103.624 -1.775 -16.755 1.00 0.00 C ATOM 217 O VAL A 13 102.487 -2.211 -16.786 1.00 0.00 O ATOM 218 CB VAL A 13 104.504 -1.925 -14.384 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.346 -2.876 -14.054 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.728 -2.755 -14.777 1.00 0.00 C ATOM 0 H VAL A 13 102.124 -0.587 -14.918 1.00 0.00 H new ATOM 0 HA VAL A 13 104.984 -0.407 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 13 104.726 -1.316 -13.508 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.636 -3.530 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.470 -2.296 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.109 -3.478 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.996 -3.420 -13.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.497 -3.347 -15.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.564 -2.090 -14.993 1.00 0.00 H new ATOM 230 N LEU A 14 104.456 -1.961 -17.747 1.00 0.00 N ATOM 231 CA LEU A 14 104.098 -2.927 -18.828 1.00 0.00 C ATOM 232 C LEU A 14 104.676 -4.293 -18.496 1.00 0.00 C ATOM 233 O LEU A 14 105.814 -4.403 -18.077 1.00 0.00 O ATOM 234 CB LEU A 14 104.724 -2.418 -20.133 1.00 0.00 C ATOM 235 CG LEU A 14 104.299 -0.974 -20.479 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.297 -0.823 -21.999 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.891 -0.660 -19.963 1.00 0.00 C ATOM 0 H LEU A 14 105.356 -1.493 -17.855 1.00 0.00 H new ATOM 0 HA LEU A 14 103.016 -3.011 -18.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.810 -2.462 -20.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.439 -3.081 -20.950 1.00 0.00 H new ATOM 0 HG LEU A 14 105.001 -0.287 -20.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.999 0.192 -22.263 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.297 -1.020 -22.386 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.594 -1.533 -22.434 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.627 0.365 -20.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.176 -1.346 -20.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.867 -0.775 -18.879 1.00 0.00 H new ATOM 249 N LEU A 15 103.906 -5.328 -18.676 1.00 0.00 N ATOM 250 CA LEU A 15 104.455 -6.702 -18.488 1.00 0.00 C ATOM 251 C LEU A 15 105.085 -7.195 -19.792 1.00 0.00 C ATOM 252 O LEU A 15 104.995 -6.548 -20.819 1.00 0.00 O ATOM 253 CB LEU A 15 103.257 -7.571 -18.095 1.00 0.00 C ATOM 254 CG LEU A 15 102.733 -7.137 -16.723 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.384 -7.807 -16.458 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.730 -7.557 -15.640 1.00 0.00 C ATOM 0 H LEU A 15 102.923 -5.284 -18.944 1.00 0.00 H new ATOM 0 HA LEU A 15 105.234 -6.735 -17.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.468 -7.479 -18.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.550 -8.621 -18.068 1.00 0.00 H new ATOM 0 HG LEU A 15 102.612 -6.054 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.010 -7.499 -15.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.673 -7.511 -17.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.506 -8.890 -16.474 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.358 -7.248 -14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.850 -8.640 -15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.693 -7.082 -15.828 1.00 0.00 H new ATOM 268 N ASN A 16 105.723 -8.338 -19.749 1.00 0.00 N ATOM 269 CA ASN A 16 106.453 -8.861 -20.961 1.00 0.00 C ATOM 270 C ASN A 16 105.510 -9.048 -22.163 1.00 0.00 C ATOM 271 O ASN A 16 105.961 -9.199 -23.283 1.00 0.00 O ATOM 272 CB ASN A 16 107.120 -10.207 -20.572 1.00 0.00 C ATOM 273 CG ASN A 16 106.271 -11.040 -19.591 1.00 0.00 C ATOM 274 OD1 ASN A 16 104.995 -11.205 -19.803 1.00 0.00 O flip ATOM 275 ND2 ASN A 16 106.787 -11.546 -18.614 1.00 0.00 N flip ATOM 0 H ASN A 16 105.774 -8.939 -18.926 1.00 0.00 H new ATOM 0 HA ASN A 16 107.206 -8.136 -21.270 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.300 -10.791 -21.475 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.093 -10.007 -20.123 1.00 0.00 H new ATOM 0 HD21 ASN A 16 107.785 -11.421 -18.442 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.223 -12.096 -17.966 1.00 0.00 H new ATOM 282 N ASN A 17 104.216 -9.040 -21.945 1.00 0.00 N ATOM 283 CA ASN A 17 103.258 -9.195 -23.087 1.00 0.00 C ATOM 284 C ASN A 17 102.770 -7.823 -23.589 1.00 0.00 C ATOM 285 O ASN A 17 101.719 -7.726 -24.195 1.00 0.00 O ATOM 286 CB ASN A 17 102.092 -10.029 -22.527 1.00 0.00 C ATOM 287 CG ASN A 17 101.384 -9.287 -21.383 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.900 -8.325 -20.851 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.213 -9.703 -20.983 1.00 0.00 N ATOM 0 H ASN A 17 103.782 -8.933 -21.028 1.00 0.00 H new ATOM 0 HA ASN A 17 103.725 -9.680 -23.945 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.379 -10.243 -23.323 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.466 -10.988 -22.167 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.732 -9.220 -20.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.779 -10.511 -21.429 1.00 0.00 H new ATOM 296 N ASP A 18 103.521 -6.763 -23.341 1.00 0.00 N ATOM 297 CA ASP A 18 103.165 -5.406 -23.888 1.00 0.00 C ATOM 298 C ASP A 18 101.764 -4.983 -23.424 1.00 0.00 C ATOM 299 O ASP A 18 101.099 -4.202 -24.079 1.00 0.00 O ATOM 300 CB ASP A 18 103.212 -5.537 -25.419 1.00 0.00 C ATOM 301 CG ASP A 18 104.639 -5.865 -25.866 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.561 -5.278 -25.324 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.785 -6.700 -26.745 1.00 0.00 O ATOM 0 H ASP A 18 104.371 -6.783 -22.778 1.00 0.00 H new ATOM 0 HA ASP A 18 103.858 -4.643 -23.533 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.529 -6.320 -25.748 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.880 -4.609 -25.883 1.00 0.00 H new ATOM 308 N SER A 19 101.314 -5.495 -22.300 1.00 0.00 N ATOM 309 CA SER A 19 100.050 -4.985 -21.692 1.00 0.00 C ATOM 310 C SER A 19 100.388 -4.079 -20.510 1.00 0.00 C ATOM 311 O SER A 19 101.357 -4.306 -19.807 1.00 0.00 O ATOM 312 CB SER A 19 99.296 -6.231 -21.224 1.00 0.00 C ATOM 313 OG SER A 19 99.986 -6.816 -20.127 1.00 0.00 O ATOM 0 H SER A 19 101.771 -6.244 -21.781 1.00 0.00 H new ATOM 0 HA SER A 19 99.452 -4.400 -22.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.281 -5.966 -20.930 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.214 -6.948 -22.041 1.00 0.00 H new ATOM 0 HG SER A 19 100.885 -7.084 -20.411 1.00 0.00 H new ATOM 319 N LYS A 20 99.603 -3.056 -20.283 1.00 0.00 N ATOM 320 CA LYS A 20 99.956 -2.061 -19.224 1.00 0.00 C ATOM 321 C LYS A 20 98.996 -2.170 -18.031 1.00 0.00 C ATOM 322 O LYS A 20 97.810 -2.395 -18.195 1.00 0.00 O ATOM 323 CB LYS A 20 99.840 -0.684 -19.905 1.00 0.00 C ATOM 324 CG LYS A 20 98.390 -0.391 -20.314 1.00 0.00 C ATOM 325 CD LYS A 20 98.324 0.969 -21.007 1.00 0.00 C ATOM 326 CE LYS A 20 96.886 1.488 -20.983 1.00 0.00 C ATOM 327 NZ LYS A 20 96.761 2.341 -22.198 1.00 0.00 N ATOM 0 H LYS A 20 98.735 -2.867 -20.784 1.00 0.00 H new ATOM 0 HA LYS A 20 100.956 -2.229 -18.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 100.194 0.092 -19.226 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.483 -0.655 -20.785 1.00 0.00 H new ATOM 0 HG2 LYS A 20 98.024 -1.170 -20.983 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.745 -0.396 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.985 1.676 -20.506 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.672 0.881 -22.036 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.170 0.666 -21.003 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.689 2.061 -20.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.799 2.733 -22.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.450 3.119 -22.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 96.947 1.767 -23.045 1.00 0.00 H new ATOM 341 N ALA A 21 99.509 -2.010 -16.836 1.00 0.00 N ATOM 342 CA ALA A 21 98.630 -1.989 -15.626 1.00 0.00 C ATOM 343 C ALA A 21 99.096 -0.892 -14.664 1.00 0.00 C ATOM 344 O ALA A 21 100.281 -0.657 -14.511 1.00 0.00 O ATOM 345 CB ALA A 21 98.800 -3.369 -14.989 1.00 0.00 C ATOM 0 H ALA A 21 100.504 -1.892 -16.646 1.00 0.00 H new ATOM 0 HA ALA A 21 97.588 -1.781 -15.871 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.185 -3.434 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.491 -4.137 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.846 -3.521 -14.723 1.00 0.00 H new ATOM 351 N ARG A 22 98.173 -0.219 -14.016 1.00 0.00 N ATOM 352 CA ARG A 22 98.557 0.911 -13.113 1.00 0.00 C ATOM 353 C ARG A 22 97.760 0.856 -11.809 1.00 0.00 C ATOM 354 O ARG A 22 96.603 0.480 -11.797 1.00 0.00 O ATOM 355 CB ARG A 22 98.235 2.194 -13.900 1.00 0.00 C ATOM 356 CG ARG A 22 96.742 2.250 -14.252 1.00 0.00 C ATOM 357 CD ARG A 22 96.485 3.418 -15.209 1.00 0.00 C ATOM 358 NE ARG A 22 95.000 3.453 -15.389 1.00 0.00 N ATOM 359 CZ ARG A 22 94.201 3.938 -14.457 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.669 4.397 -13.318 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.913 3.958 -14.669 1.00 0.00 N ATOM 0 H ARG A 22 97.172 -0.404 -14.074 1.00 0.00 H new ATOM 0 HA ARG A 22 99.610 0.866 -12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.508 3.068 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.831 2.227 -14.812 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.431 1.313 -14.714 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.148 2.371 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.854 4.356 -14.795 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.994 3.268 -16.161 1.00 0.00 H new ATOM 0 HE ARG A 22 94.595 3.093 -16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.673 4.384 -13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.029 4.766 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.535 3.601 -15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.285 4.330 -13.957 1.00 0.00 H new ATOM 375 N GLY A 23 98.378 1.230 -10.716 1.00 0.00 N ATOM 376 CA GLY A 23 97.666 1.224 -9.401 1.00 0.00 C ATOM 377 C GLY A 23 98.631 1.676 -8.303 1.00 0.00 C ATOM 378 O GLY A 23 99.750 2.067 -8.579 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.540 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.803 1.888 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.290 0.225 -9.182 1.00 0.00 H new ATOM 382 N VAL A 24 98.207 1.623 -7.063 1.00 0.00 N ATOM 383 CA VAL A 24 99.084 2.094 -5.943 1.00 0.00 C ATOM 384 C VAL A 24 99.940 0.929 -5.432 1.00 0.00 C ATOM 385 O VAL A 24 99.490 -0.197 -5.364 1.00 0.00 O ATOM 386 CB VAL A 24 98.126 2.593 -4.847 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.932 3.153 -3.670 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.228 3.703 -5.406 1.00 0.00 C ATOM 0 H VAL A 24 97.292 1.274 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 24 99.768 2.883 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 24 97.512 1.758 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.250 3.505 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.571 2.370 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.550 3.983 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.552 4.052 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.846 4.533 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.647 3.314 -6.242 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 1.200 -5.075 1.00 0.00 N ATOM 399 CA ILE A 25 102.078 0.108 -4.593 1.00 0.00 C ATOM 400 C ILE A 25 101.828 -0.162 -3.103 1.00 0.00 C ATOM 401 O ILE A 25 101.629 0.752 -2.325 1.00 0.00 O ATOM 402 CB ILE A 25 103.504 0.641 -4.830 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.736 0.813 -6.337 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.545 -0.336 -4.262 1.00 0.00 C ATOM 405 CD1 ILE A 25 104.971 1.687 -6.568 1.00 0.00 C ATOM 0 H ILE A 25 101.587 2.130 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 25 101.913 -0.835 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 25 103.611 1.601 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.873 -0.160 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.862 1.271 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.547 0.056 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.385 -0.455 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.443 -1.303 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.135 1.809 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.816 2.664 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.843 1.211 -6.119 1.00 0.00 H new ATOM 417 N THR A 26 101.836 -1.415 -2.707 1.00 0.00 N ATOM 418 CA THR A 26 101.597 -1.754 -1.270 1.00 0.00 C ATOM 419 C THR A 26 102.736 -2.605 -0.696 1.00 0.00 C ATOM 420 O THR A 26 103.097 -2.452 0.457 1.00 0.00 O ATOM 421 CB THR A 26 100.285 -2.542 -1.259 1.00 0.00 C ATOM 422 OG1 THR A 26 100.373 -3.623 -2.175 1.00 0.00 O ATOM 423 CG2 THR A 26 99.128 -1.623 -1.658 1.00 0.00 C ATOM 0 H THR A 26 101.998 -2.215 -3.318 1.00 0.00 H new ATOM 0 HA THR A 26 101.549 -0.856 -0.653 1.00 0.00 H new ATOM 0 HB THR A 26 100.106 -2.931 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.460 -3.273 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.195 -2.187 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.059 -0.797 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.304 -1.230 -2.659 1.00 0.00 H new ATOM 431 N ASN A 27 103.310 -3.498 -1.477 1.00 0.00 N ATOM 432 CA ASN A 27 104.320 -4.445 -0.905 1.00 0.00 C ATOM 433 C ASN A 27 105.528 -4.586 -1.833 1.00 0.00 C ATOM 434 O ASN A 27 105.405 -4.532 -3.041 1.00 0.00 O ATOM 435 CB ASN A 27 103.584 -5.779 -0.782 1.00 0.00 C ATOM 436 CG ASN A 27 104.398 -6.731 0.097 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.528 -6.518 1.285 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.955 -7.781 -0.443 1.00 0.00 N ATOM 0 H ASN A 27 103.123 -3.609 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 27 104.706 -4.094 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.596 -5.623 -0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.434 -6.216 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.500 -8.423 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.846 -7.960 -1.441 1.00 0.00 H new ATOM 445 N PHE A 28 106.696 -4.764 -1.265 1.00 0.00 N ATOM 446 CA PHE A 28 107.909 -5.065 -2.081 1.00 0.00 C ATOM 447 C PHE A 28 108.869 -5.940 -1.271 1.00 0.00 C ATOM 448 O PHE A 28 109.212 -5.619 -0.147 1.00 0.00 O ATOM 449 CB PHE A 28 108.539 -3.705 -2.383 1.00 0.00 C ATOM 450 CG PHE A 28 109.629 -3.768 -3.425 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.310 -4.111 -4.762 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.969 -3.483 -3.068 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.332 -4.168 -5.741 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.991 -3.541 -4.046 1.00 0.00 C ATOM 455 CZ PHE A 28 111.672 -3.884 -5.383 1.00 0.00 C ATOM 0 H PHE A 28 106.860 -4.713 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 28 107.673 -5.607 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.762 -3.020 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.950 -3.291 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.288 -4.329 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.212 -3.221 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.089 -4.428 -6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.013 -3.324 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.451 -3.929 -6.129 1.00 0.00 H new ATOM 465 N ASP A 29 109.305 -7.038 -1.835 1.00 0.00 N ATOM 466 CA ASP A 29 110.182 -7.985 -1.080 1.00 0.00 C ATOM 467 C ASP A 29 111.503 -8.177 -1.826 1.00 0.00 C ATOM 468 O ASP A 29 111.521 -8.622 -2.957 1.00 0.00 O ATOM 469 CB ASP A 29 109.395 -9.295 -1.029 1.00 0.00 C ATOM 470 CG ASP A 29 110.095 -10.276 -0.087 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.936 -11.022 -0.560 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.778 -10.264 1.092 1.00 0.00 O ATOM 0 H ASP A 29 109.090 -7.321 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 29 110.429 -7.622 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.378 -9.107 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.319 -9.725 -2.028 1.00 0.00 H new ATOM 477 N SER A 30 112.604 -7.844 -1.196 1.00 0.00 N ATOM 478 CA SER A 30 113.933 -7.954 -1.879 1.00 0.00 C ATOM 479 C SER A 30 114.297 -9.423 -2.130 1.00 0.00 C ATOM 480 O SER A 30 114.972 -9.743 -3.090 1.00 0.00 O ATOM 481 CB SER A 30 114.939 -7.315 -0.918 1.00 0.00 C ATOM 482 OG SER A 30 116.210 -7.239 -1.550 1.00 0.00 O ATOM 0 H SER A 30 112.640 -7.500 -0.236 1.00 0.00 H new ATOM 0 HA SER A 30 113.925 -7.461 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.603 -6.319 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.010 -7.903 -0.003 1.00 0.00 H new ATOM 0 HG SER A 30 116.856 -6.829 -0.938 1.00 0.00 H new ATOM 488 N SER A 31 113.855 -10.317 -1.273 1.00 0.00 N ATOM 489 CA SER A 31 114.257 -11.758 -1.400 1.00 0.00 C ATOM 490 C SER A 31 113.788 -12.340 -2.741 1.00 0.00 C ATOM 491 O SER A 31 114.572 -12.893 -3.489 1.00 0.00 O ATOM 492 CB SER A 31 113.568 -12.479 -0.239 1.00 0.00 C ATOM 493 OG SER A 31 114.235 -13.708 0.012 1.00 0.00 O ATOM 0 H SER A 31 113.233 -10.111 -0.491 1.00 0.00 H new ATOM 0 HA SER A 31 115.340 -11.874 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.585 -11.854 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.521 -12.663 -0.480 1.00 0.00 H new ATOM 0 HG SER A 31 113.797 -14.172 0.756 1.00 0.00 H new ATOM 499 N ASN A 32 112.518 -12.217 -3.043 1.00 0.00 N ATOM 500 CA ASN A 32 111.989 -12.759 -4.336 1.00 0.00 C ATOM 501 C ASN A 32 111.501 -11.630 -5.260 1.00 0.00 C ATOM 502 O ASN A 32 110.936 -11.888 -6.306 1.00 0.00 O ATOM 503 CB ASN A 32 110.820 -13.661 -3.936 1.00 0.00 C ATOM 504 CG ASN A 32 111.343 -14.872 -3.160 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.403 -15.388 -3.455 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.638 -15.352 -2.171 1.00 0.00 N ATOM 0 H ASN A 32 111.823 -11.764 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 32 112.760 -13.294 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.111 -13.103 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.283 -13.991 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.977 -16.159 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.748 -14.920 -1.922 1.00 0.00 H new ATOM 513 N SER A 33 111.713 -10.381 -4.886 1.00 0.00 N ATOM 514 CA SER A 33 111.240 -9.222 -5.724 1.00 0.00 C ATOM 515 C SER A 33 109.750 -9.370 -6.074 1.00 0.00 C ATOM 516 O SER A 33 109.384 -9.562 -7.221 1.00 0.00 O ATOM 517 CB SER A 33 112.110 -9.248 -6.988 1.00 0.00 C ATOM 518 OG SER A 33 113.464 -9.490 -6.628 1.00 0.00 O ATOM 0 H SER A 33 112.198 -10.115 -4.029 1.00 0.00 H new ATOM 0 HA SER A 33 111.335 -8.275 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.759 -10.025 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.028 -8.299 -7.518 1.00 0.00 H new ATOM 0 HG SER A 33 114.019 -9.508 -7.436 1.00 0.00 H new ATOM 524 N ILE A 34 108.892 -9.281 -5.086 1.00 0.00 N ATOM 525 CA ILE A 34 107.423 -9.435 -5.338 1.00 0.00 C ATOM 526 C ILE A 34 106.706 -8.113 -5.039 1.00 0.00 C ATOM 527 O ILE A 34 106.959 -7.478 -4.032 1.00 0.00 O ATOM 528 CB ILE A 34 106.950 -10.543 -4.377 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.784 -11.830 -4.579 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.467 -10.847 -4.626 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.628 -12.384 -6.008 1.00 0.00 C ATOM 0 H ILE A 34 109.146 -9.108 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 34 107.207 -9.693 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 34 107.085 -10.195 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.835 -11.619 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.470 -12.585 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.137 -11.631 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.877 -9.946 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.332 -11.180 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.227 -13.288 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.580 -12.619 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.966 -11.637 -6.727 1.00 0.00 H new ATOM 543 N LEU A 35 105.815 -7.701 -5.908 1.00 0.00 N ATOM 544 CA LEU A 35 105.162 -6.363 -5.752 1.00 0.00 C ATOM 545 C LEU A 35 103.639 -6.508 -5.773 1.00 0.00 C ATOM 546 O LEU A 35 103.073 -7.056 -6.701 1.00 0.00 O ATOM 547 CB LEU A 35 105.643 -5.559 -6.962 1.00 0.00 C ATOM 548 CG LEU A 35 105.164 -4.108 -6.850 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.135 -3.315 -5.973 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.111 -3.484 -8.246 1.00 0.00 C ATOM 0 H LEU A 35 105.511 -8.236 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 35 105.416 -5.882 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.731 -5.588 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.263 -6.006 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 35 104.171 -4.085 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.794 -2.283 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.175 -3.761 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.129 -3.335 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.770 -2.451 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.105 -3.506 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.420 -4.049 -8.871 1.00 0.00 H new ATOM 562 N GLN A 36 102.978 -6.019 -4.754 1.00 0.00 N ATOM 563 CA GLN A 36 101.487 -6.002 -4.757 1.00 0.00 C ATOM 564 C GLN A 36 100.986 -4.594 -5.084 1.00 0.00 C ATOM 565 O GLN A 36 101.413 -3.624 -4.483 1.00 0.00 O ATOM 566 CB GLN A 36 101.078 -6.404 -3.341 1.00 0.00 C ATOM 567 CG GLN A 36 101.353 -7.894 -3.132 1.00 0.00 C ATOM 568 CD GLN A 36 100.851 -8.318 -1.751 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.706 -8.467 -0.776 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.668 -8.518 -1.558 1.00 0.00 N flip ATOM 0 H GLN A 36 103.411 -5.629 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 36 101.065 -6.676 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.633 -5.815 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.020 -6.193 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.856 -8.478 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.421 -8.093 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.000 -8.401 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.343 -8.802 -0.634 1.00 0.00 H new ATOM 579 N LEU A 37 100.087 -4.480 -6.032 1.00 0.00 N ATOM 580 CA LEU A 37 99.526 -3.141 -6.387 1.00 0.00 C ATOM 581 C LEU A 37 98.058 -3.060 -5.965 1.00 0.00 C ATOM 582 O LEU A 37 97.239 -3.853 -6.391 1.00 0.00 O ATOM 583 CB LEU A 37 99.644 -3.040 -7.913 1.00 0.00 C ATOM 584 CG LEU A 37 101.117 -3.063 -8.335 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.205 -3.139 -9.861 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.815 -1.785 -7.852 1.00 0.00 C ATOM 0 H LEU A 37 99.717 -5.260 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 37 100.055 -2.331 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.111 -3.868 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.173 -2.121 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 37 101.605 -3.931 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.252 -3.156 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.712 -4.047 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.714 -2.269 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.862 -1.806 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.327 -0.915 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.752 -1.725 -6.765 1.00 0.00 H new ATOM 598 N ARG A 38 97.725 -2.108 -5.131 1.00 0.00 N ATOM 599 CA ARG A 38 96.295 -1.911 -4.741 1.00 0.00 C ATOM 600 C ARG A 38 95.674 -0.799 -5.592 1.00 0.00 C ATOM 601 O ARG A 38 96.166 0.313 -5.627 1.00 0.00 O ATOM 602 CB ARG A 38 96.332 -1.512 -3.265 1.00 0.00 C ATOM 603 CG ARG A 38 94.905 -1.445 -2.712 1.00 0.00 C ATOM 604 CD ARG A 38 94.937 -0.925 -1.271 1.00 0.00 C ATOM 605 NE ARG A 38 95.565 -2.021 -0.464 1.00 0.00 N ATOM 606 CZ ARG A 38 95.471 -2.046 0.852 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.827 -1.112 1.515 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.034 -3.022 1.512 1.00 0.00 N ATOM 0 H ARG A 38 98.383 -1.457 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 38 95.693 -2.806 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.919 -2.235 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.822 -0.545 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.294 -0.789 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.445 -2.433 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.515 -0.004 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.933 -0.700 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 38 96.076 -2.763 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.384 -0.343 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.770 -1.156 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.539 -3.753 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.969 -3.054 2.529 1.00 0.00 H new ATOM 622 N LEU A 39 94.596 -1.096 -6.275 1.00 0.00 N ATOM 623 CA LEU A 39 94.009 -0.108 -7.230 1.00 0.00 C ATOM 624 C LEU A 39 92.782 0.577 -6.618 1.00 0.00 C ATOM 625 O LEU A 39 92.070 -0.002 -5.815 1.00 0.00 O ATOM 626 CB LEU A 39 93.623 -0.937 -8.459 1.00 0.00 C ATOM 627 CG LEU A 39 93.268 -0.022 -9.640 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.467 0.857 -10.012 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.907 -0.887 -10.845 1.00 0.00 C ATOM 0 H LEU A 39 94.096 -1.983 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 39 94.707 0.691 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.449 -1.593 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.774 -1.577 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 39 92.429 0.614 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.200 1.500 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.746 1.473 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.309 0.224 -10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.653 -0.247 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.757 -1.516 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.053 -1.517 -10.598 1.00 0.00 H new ATOM 641 N ALA A 40 92.534 1.808 -7.006 1.00 0.00 N ATOM 642 CA ALA A 40 91.438 2.615 -6.369 1.00 0.00 C ATOM 643 C ALA A 40 90.053 1.992 -6.615 1.00 0.00 C ATOM 644 O ALA A 40 89.072 2.417 -6.028 1.00 0.00 O ATOM 645 CB ALA A 40 91.518 3.995 -7.028 1.00 0.00 C ATOM 0 H ALA A 40 93.047 2.293 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 40 91.565 2.659 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.746 4.642 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.498 4.432 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.367 3.894 -8.103 1.00 0.00 H new ATOM 651 N ASN A 41 89.954 0.997 -7.468 1.00 0.00 N ATOM 652 CA ASN A 41 88.645 0.293 -7.669 1.00 0.00 C ATOM 653 C ASN A 41 88.454 -0.827 -6.626 1.00 0.00 C ATOM 654 O ASN A 41 87.823 -1.829 -6.908 1.00 0.00 O ATOM 655 CB ASN A 41 88.728 -0.306 -9.078 1.00 0.00 C ATOM 656 CG ASN A 41 88.768 0.819 -10.114 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.122 1.836 -9.953 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.505 0.679 -11.182 1.00 0.00 N ATOM 0 H ASN A 41 90.725 0.642 -8.034 1.00 0.00 H new ATOM 0 HA ASN A 41 87.801 0.973 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.619 -0.928 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.869 -0.951 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.538 1.422 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.048 -0.174 -11.319 1.00 0.00 H new ATOM 665 N ASP A 42 88.995 -0.675 -5.423 1.00 0.00 N ATOM 666 CA ASP A 42 88.798 -1.701 -4.340 1.00 0.00 C ATOM 667 C ASP A 42 89.303 -3.074 -4.806 1.00 0.00 C ATOM 668 O ASP A 42 88.804 -4.099 -4.378 1.00 0.00 O ATOM 669 CB ASP A 42 87.287 -1.748 -4.060 1.00 0.00 C ATOM 670 CG ASP A 42 86.817 -0.390 -3.528 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.523 0.184 -2.714 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.759 0.051 -3.944 1.00 0.00 O ATOM 0 H ASP A 42 89.567 0.124 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 42 89.357 -1.441 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.746 -1.999 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.066 -2.530 -3.333 1.00 0.00 H new ATOM 677 N SER A 43 90.288 -3.100 -5.680 1.00 0.00 N ATOM 678 CA SER A 43 90.858 -4.406 -6.134 1.00 0.00 C ATOM 679 C SER A 43 92.356 -4.461 -5.827 1.00 0.00 C ATOM 680 O SER A 43 93.058 -3.477 -5.957 1.00 0.00 O ATOM 681 CB SER A 43 90.615 -4.441 -7.643 1.00 0.00 C ATOM 682 OG SER A 43 89.218 -4.388 -7.895 1.00 0.00 O ATOM 0 H SER A 43 90.718 -2.273 -6.095 1.00 0.00 H new ATOM 0 HA SER A 43 90.400 -5.257 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.115 -3.600 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.039 -5.350 -8.070 1.00 0.00 H new ATOM 0 HG SER A 43 88.884 -3.488 -7.697 1.00 0.00 H new ATOM 688 N THR A 44 92.846 -5.608 -5.422 1.00 0.00 N ATOM 689 CA THR A 44 94.302 -5.744 -5.106 1.00 0.00 C ATOM 690 C THR A 44 94.899 -6.940 -5.857 1.00 0.00 C ATOM 691 O THR A 44 94.250 -7.955 -6.034 1.00 0.00 O ATOM 692 CB THR A 44 94.374 -5.954 -3.584 1.00 0.00 C ATOM 693 OG1 THR A 44 95.732 -6.093 -3.193 1.00 0.00 O ATOM 694 CG2 THR A 44 93.594 -7.211 -3.175 1.00 0.00 C ATOM 0 H THR A 44 92.297 -6.459 -5.296 1.00 0.00 H new ATOM 0 HA THR A 44 94.872 -4.867 -5.412 1.00 0.00 H new ATOM 0 HB THR A 44 93.930 -5.091 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.781 -6.225 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.657 -7.343 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.550 -7.102 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.021 -8.082 -3.672 1.00 0.00 H new ATOM 702 N LYS A 45 96.128 -6.824 -6.297 1.00 0.00 N ATOM 703 CA LYS A 45 96.764 -7.936 -7.064 1.00 0.00 C ATOM 704 C LYS A 45 98.238 -8.082 -6.679 1.00 0.00 C ATOM 705 O LYS A 45 98.929 -7.105 -6.455 1.00 0.00 O ATOM 706 CB LYS A 45 96.630 -7.535 -8.532 1.00 0.00 C ATOM 707 CG LYS A 45 95.186 -7.744 -8.983 1.00 0.00 C ATOM 708 CD LYS A 45 95.069 -7.452 -10.480 1.00 0.00 C ATOM 709 CE LYS A 45 93.602 -7.541 -10.907 1.00 0.00 C ATOM 710 NZ LYS A 45 93.487 -6.632 -12.082 1.00 0.00 N ATOM 0 H LYS A 45 96.718 -6.004 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 45 96.291 -8.896 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.917 -6.492 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.305 -8.131 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.874 -8.768 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.520 -7.089 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.462 -6.459 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.667 -8.165 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.329 -8.563 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.937 -7.231 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.508 -6.639 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.747 -5.665 -11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.126 -6.956 -12.836 1.00 0.00 H new ATOM 724 N SER A 46 98.717 -9.299 -6.602 1.00 0.00 N ATOM 725 CA SER A 46 100.159 -9.530 -6.286 1.00 0.00 C ATOM 726 C SER A 46 100.892 -10.037 -7.531 1.00 0.00 C ATOM 727 O SER A 46 100.567 -11.081 -8.067 1.00 0.00 O ATOM 728 CB SER A 46 100.160 -10.596 -5.191 1.00 0.00 C ATOM 729 OG SER A 46 99.675 -11.820 -5.727 1.00 0.00 O ATOM 0 H SER A 46 98.167 -10.146 -6.745 1.00 0.00 H new ATOM 0 HA SER A 46 100.665 -8.619 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.168 -10.731 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.535 -10.278 -4.357 1.00 0.00 H new ATOM 0 HG SER A 46 99.650 -11.762 -6.705 1.00 0.00 H new ATOM 735 N ILE A 47 101.877 -9.305 -7.993 1.00 0.00 N ATOM 736 CA ILE A 47 102.616 -9.717 -9.225 1.00 0.00 C ATOM 737 C ILE A 47 104.122 -9.675 -8.955 1.00 0.00 C ATOM 738 O ILE A 47 104.636 -8.704 -8.432 1.00 0.00 O ATOM 739 CB ILE A 47 102.223 -8.690 -10.303 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.704 -8.719 -10.524 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.925 -9.030 -11.624 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.286 -7.520 -11.378 1.00 0.00 C ATOM 0 H ILE A 47 102.201 -8.437 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 47 102.371 -10.731 -9.539 1.00 0.00 H new ATOM 0 HB ILE A 47 102.526 -7.697 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.416 -9.647 -11.017 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.186 -8.693 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.644 -8.301 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.005 -9.005 -11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.626 -10.026 -11.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.207 -7.543 -11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.560 -6.597 -10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.793 -7.566 -12.342 1.00 0.00 H new ATOM 754 N VAL A 48 104.829 -10.721 -9.308 1.00 0.00 N ATOM 755 CA VAL A 48 106.310 -10.732 -9.094 1.00 0.00 C ATOM 756 C VAL A 48 106.972 -9.781 -10.098 1.00 0.00 C ATOM 757 O VAL A 48 106.614 -9.747 -11.258 1.00 0.00 O ATOM 758 CB VAL A 48 106.770 -12.182 -9.324 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.265 -12.308 -8.999 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.961 -13.145 -8.433 1.00 0.00 C ATOM 0 H VAL A 48 104.446 -11.565 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 48 106.584 -10.399 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 48 106.603 -12.444 -10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.588 -13.336 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.835 -11.641 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.435 -12.036 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.296 -14.168 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.112 -12.885 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.902 -13.064 -8.678 1.00 0.00 H new ATOM 770 N THR A 49 107.936 -9.014 -9.655 1.00 0.00 N ATOM 771 CA THR A 49 108.527 -7.947 -10.529 1.00 0.00 C ATOM 772 C THR A 49 109.189 -8.547 -11.774 1.00 0.00 C ATOM 773 O THR A 49 109.328 -7.883 -12.783 1.00 0.00 O ATOM 774 CB THR A 49 109.569 -7.229 -9.664 1.00 0.00 C ATOM 775 OG1 THR A 49 110.521 -8.171 -9.196 1.00 0.00 O ATOM 776 CG2 THR A 49 108.881 -6.556 -8.472 1.00 0.00 C ATOM 0 H THR A 49 108.343 -9.079 -8.722 1.00 0.00 H new ATOM 0 HA THR A 49 107.756 -7.266 -10.888 1.00 0.00 H new ATOM 0 HB THR A 49 110.072 -6.468 -10.261 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.166 -8.630 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.627 -6.047 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.153 -5.830 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.373 -7.311 -7.871 1.00 0.00 H new ATOM 784 N LYS A 50 109.602 -9.790 -11.714 1.00 0.00 N ATOM 785 CA LYS A 50 110.341 -10.404 -12.870 1.00 0.00 C ATOM 786 C LYS A 50 109.505 -10.328 -14.155 1.00 0.00 C ATOM 787 O LYS A 50 110.043 -10.338 -15.247 1.00 0.00 O ATOM 788 CB LYS A 50 110.588 -11.865 -12.468 1.00 0.00 C ATOM 789 CG LYS A 50 111.494 -12.547 -13.500 1.00 0.00 C ATOM 790 CD LYS A 50 111.441 -14.063 -13.300 1.00 0.00 C ATOM 791 CE LYS A 50 112.457 -14.737 -14.224 1.00 0.00 C ATOM 792 NZ LYS A 50 112.657 -16.096 -13.650 1.00 0.00 N ATOM 0 H LYS A 50 109.461 -10.409 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 50 111.273 -9.878 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.051 -11.906 -11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.639 -12.397 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.171 -12.291 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.518 -12.191 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.658 -14.311 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.438 -14.434 -13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.085 -14.791 -15.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.393 -14.180 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.342 -16.621 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.018 -16.013 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.750 -16.605 -13.640 1.00 0.00 H new ATOM 806 N ASP A 51 108.202 -10.254 -14.034 1.00 0.00 N ATOM 807 CA ASP A 51 107.347 -10.088 -15.253 1.00 0.00 C ATOM 808 C ASP A 51 107.169 -8.601 -15.616 1.00 0.00 C ATOM 809 O ASP A 51 106.365 -8.265 -16.466 1.00 0.00 O ATOM 810 CB ASP A 51 105.996 -10.749 -14.922 1.00 0.00 C ATOM 811 CG ASP A 51 105.338 -10.087 -13.703 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.253 -8.870 -13.676 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.923 -10.815 -12.816 1.00 0.00 O ATOM 0 H ASP A 51 107.695 -10.301 -13.150 1.00 0.00 H new ATOM 0 HA ASP A 51 107.810 -10.554 -16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.331 -10.675 -15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.146 -11.811 -14.726 1.00 0.00 H new ATOM 818 N ILE A 52 107.907 -7.710 -14.984 1.00 0.00 N ATOM 819 CA ILE A 52 107.858 -6.267 -15.395 1.00 0.00 C ATOM 820 C ILE A 52 108.709 -6.055 -16.652 1.00 0.00 C ATOM 821 O ILE A 52 109.920 -6.182 -16.620 1.00 0.00 O ATOM 822 CB ILE A 52 108.434 -5.471 -14.208 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.518 -5.643 -12.984 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.537 -3.978 -14.577 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.152 -4.970 -11.759 1.00 0.00 C ATOM 0 H ILE A 52 108.535 -7.919 -14.208 1.00 0.00 H new ATOM 0 HA ILE A 52 106.844 -5.944 -15.631 1.00 0.00 H new ATOM 0 HB ILE A 52 109.430 -5.846 -13.972 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.541 -5.204 -13.186 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.357 -6.703 -12.785 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.945 -3.422 -13.733 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.193 -3.861 -15.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.546 -3.594 -14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.498 -5.096 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.119 -5.429 -11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.290 -3.907 -11.958 1.00 0.00 H new ATOM 837 N LYS A 53 108.077 -5.734 -17.752 1.00 0.00 N ATOM 838 CA LYS A 53 108.846 -5.327 -18.971 1.00 0.00 C ATOM 839 C LYS A 53 109.283 -3.865 -18.850 1.00 0.00 C ATOM 840 O LYS A 53 110.388 -3.510 -19.219 1.00 0.00 O ATOM 841 CB LYS A 53 107.880 -5.507 -20.145 1.00 0.00 C ATOM 842 CG LYS A 53 108.615 -5.251 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 109.569 -6.413 -21.754 1.00 0.00 C ATOM 844 CE LYS A 53 110.231 -6.203 -23.117 1.00 0.00 C ATOM 845 NZ LYS A 53 111.300 -5.195 -22.873 1.00 0.00 N ATOM 0 H LYS A 53 107.063 -5.736 -17.861 1.00 0.00 H new ATOM 0 HA LYS A 53 109.750 -5.922 -19.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.468 -6.516 -20.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.040 -4.819 -20.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.897 -5.145 -22.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.172 -4.316 -21.408 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.329 -6.476 -20.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.023 -7.356 -21.744 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.647 -7.134 -23.502 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.512 -5.846 -23.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.184 -4.399 -23.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.233 -4.847 -21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.231 -5.634 -23.021 1.00 0.00 H new ATOM 859 N ASP A 54 108.424 -3.016 -18.334 1.00 0.00 N ATOM 860 CA ASP A 54 108.752 -1.549 -18.283 1.00 0.00 C ATOM 861 C ASP A 54 108.004 -0.861 -17.139 1.00 0.00 C ATOM 862 O ASP A 54 106.908 -1.249 -16.786 1.00 0.00 O ATOM 863 CB ASP A 54 108.293 -0.976 -19.628 1.00 0.00 C ATOM 864 CG ASP A 54 109.220 -1.464 -20.743 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.423 -1.355 -20.578 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.709 -1.938 -21.745 1.00 0.00 O ATOM 0 H ASP A 54 107.515 -3.271 -17.948 1.00 0.00 H new ATOM 0 HA ASP A 54 109.816 -1.389 -18.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.268 -1.284 -19.834 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.297 0.113 -19.590 1.00 0.00 H new ATOM 871 N LEU A 55 108.592 0.164 -16.564 1.00 0.00 N ATOM 872 CA LEU A 55 107.960 0.845 -15.391 1.00 0.00 C ATOM 873 C LEU A 55 107.845 2.354 -15.628 1.00 0.00 C ATOM 874 O LEU A 55 108.706 2.962 -16.238 1.00 0.00 O ATOM 875 CB LEU A 55 108.906 0.579 -14.217 1.00 0.00 C ATOM 876 CG LEU A 55 108.735 -0.859 -13.729 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.025 -1.330 -13.056 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.584 -0.922 -12.720 1.00 0.00 C ATOM 0 H LEU A 55 109.485 0.558 -16.859 1.00 0.00 H new ATOM 0 HA LEU A 55 106.951 0.473 -15.211 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.938 0.748 -14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.697 1.275 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 55 108.512 -1.504 -14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.901 -2.356 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.846 -1.286 -13.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.249 -0.684 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.461 -1.947 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.808 -0.275 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.663 -0.589 -13.198 1.00 0.00 H new ATOM 890 N ARG A 56 106.783 2.958 -15.150 1.00 0.00 N ATOM 891 CA ARG A 56 106.685 4.449 -15.161 1.00 0.00 C ATOM 892 C ARG A 56 105.895 4.931 -13.936 1.00 0.00 C ATOM 893 O ARG A 56 105.142 4.180 -13.343 1.00 0.00 O ATOM 894 CB ARG A 56 105.955 4.805 -16.466 1.00 0.00 C ATOM 895 CG ARG A 56 104.525 4.246 -16.451 1.00 0.00 C ATOM 896 CD ARG A 56 103.809 4.635 -17.747 1.00 0.00 C ATOM 897 NE ARG A 56 104.464 3.827 -18.826 1.00 0.00 N ATOM 898 CZ ARG A 56 103.900 3.674 -20.009 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.742 4.224 -20.296 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.508 2.960 -20.916 1.00 0.00 N ATOM 0 H ARG A 56 105.976 2.478 -14.751 1.00 0.00 H new ATOM 0 HA ARG A 56 107.663 4.928 -15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.927 5.887 -16.591 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.501 4.400 -17.318 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.549 3.161 -16.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.980 4.636 -15.591 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.743 4.417 -17.687 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.906 5.703 -17.943 1.00 0.00 H new ATOM 0 HE ARG A 56 105.365 3.386 -18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.257 4.785 -19.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.328 4.090 -21.219 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.408 2.528 -20.706 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.083 2.834 -21.835 1.00 0.00 H new ATOM 914 N ILE A 57 106.063 6.174 -13.557 1.00 0.00 N ATOM 915 CA ILE A 57 105.248 6.741 -12.437 1.00 0.00 C ATOM 916 C ILE A 57 104.328 7.836 -12.987 1.00 0.00 C ATOM 917 O ILE A 57 104.767 8.728 -13.689 1.00 0.00 O ATOM 918 CB ILE A 57 106.263 7.323 -11.436 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.213 6.216 -10.953 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.518 7.904 -10.229 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.410 6.835 -10.222 1.00 0.00 C ATOM 0 H ILE A 57 106.730 6.822 -13.975 1.00 0.00 H new ATOM 0 HA ILE A 57 104.616 5.993 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 57 106.838 8.107 -11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.683 5.535 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.560 5.627 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.237 8.316 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.845 8.694 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.941 7.116 -9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.078 6.043 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.947 7.498 -10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 57 108.057 7.404 -9.362 1.00 0.00 H new ATOM 933 N LEU A 58 103.057 7.774 -12.669 1.00 0.00 N ATOM 934 CA LEU A 58 102.084 8.745 -13.263 1.00 0.00 C ATOM 935 C LEU A 58 102.083 10.054 -12.453 1.00 0.00 C ATOM 936 O LEU A 58 102.301 10.027 -11.256 1.00 0.00 O ATOM 937 CB LEU A 58 100.713 8.062 -13.180 1.00 0.00 C ATOM 938 CG LEU A 58 100.722 6.765 -13.996 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.456 5.962 -13.694 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.770 7.092 -15.490 1.00 0.00 C ATOM 0 H LEU A 58 102.652 7.094 -12.025 1.00 0.00 H new ATOM 0 HA LEU A 58 102.341 9.001 -14.291 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.468 7.845 -12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.940 8.732 -13.556 1.00 0.00 H new ATOM 0 HG LEU A 58 101.601 6.179 -13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.463 5.040 -14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.422 5.722 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.579 6.552 -13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.776 6.166 -16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.895 7.682 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.673 7.661 -15.709 1.00 0.00 H new