USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 891 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 928 ASN : amide:sc= -15.5! C(o=-14!,f=-19!) USER MOD Set 1.2: A 968 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 924 LYS NZ :NH3+ 161:sc= -0.0942 (180deg=-0.448) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 50:sc= 0.611 USER MOD Single : A 934 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.161) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -47:sc= 1.13 USER MOD Single : A 951 TYR OH : rot 30:sc= 0 USER MOD Single : A 954 MET CE :methyl 157:sc= -1.33 (180deg=-2.42) USER MOD Single : A 956 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.13) USER MOD Single : A 964 THR OG1 : rot 54:sc= 1.13 USER MOD Single : A 972 SER OG : rot 58:sc= 1.27 USER MOD Single : A 980 THR OG1 : rot 35:sc= -0.0766 USER MOD Single : A 981 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.33) USER MOD Single : A 986 MET CE :methyl 140:sc= -0.0985 (180deg=-0.573) USER MOD Single : A 988 GLN :FLIP amide:sc= -1.86 F(o=-7.5!,f=-1.9) USER MOD Single : A 989 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.103) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 993 SER OG : rot 180:sc= 0.0332 USER MOD Single : A1000 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A1001 LYS NZ :NH3+ 175:sc= 0.339 (180deg=0.311) USER MOD Single : A1002 MET CE :methyl -149:sc= -0.453 (180deg=-1.54) USER MOD Single : A1003 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0742) USER MOD Single : A1006 GLN : amide:sc= 0.154 K(o=0.15,f=-1.7!) USER MOD Single : A1007 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.5!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -0.405 F(o=-3.1!,f=-0.41) USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -172:sc= 1.14 (180deg=1.07) USER MOD Single : A1019 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : A1020 GLN :FLIP amide:sc= -1.2 F(o=-1.9,f=-1.2) USER MOD Single : A1021 MET CE :methyl 164:sc= 0 (180deg=-0.439) USER MOD Single : A1023 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A1026 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A1033 LYS NZ :NH3+ -157:sc= -0.191 (180deg=-0.783) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1041 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.887 -8.770 -3.406 1.00 0.00 N ATOM 180 CA LYS A 924 -9.197 -7.592 -2.600 1.00 0.00 C ATOM 181 C LYS A 924 -7.958 -6.747 -2.292 1.00 0.00 C ATOM 182 O LYS A 924 -8.082 -5.562 -1.992 1.00 0.00 O ATOM 183 CB LYS A 924 -9.847 -8.019 -1.291 1.00 0.00 C ATOM 184 CG LYS A 924 -11.311 -8.391 -1.406 1.00 0.00 C ATOM 185 CD LYS A 924 -12.175 -7.161 -1.613 1.00 0.00 C ATOM 186 CE LYS A 924 -13.659 -7.499 -1.540 1.00 0.00 C ATOM 187 NZ LYS A 924 -14.037 -8.092 -0.227 1.00 0.00 N ATOM 0 HA LYS A 924 -9.881 -6.977 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.299 -8.872 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.747 -7.208 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.449 -9.080 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.628 -8.914 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -11.934 -6.415 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.950 -6.716 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.244 -6.596 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.911 -8.197 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -15.065 -8.010 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -13.764 -9.095 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.546 -7.585 0.537 1.00 0.00 H new ATOM 201 N VAL A 925 -6.770 -7.342 -2.378 1.00 0.00 N ATOM 202 CA VAL A 925 -5.528 -6.605 -2.139 1.00 0.00 C ATOM 203 C VAL A 925 -5.318 -5.538 -3.220 1.00 0.00 C ATOM 204 O VAL A 925 -4.722 -4.501 -2.972 1.00 0.00 O ATOM 205 CB VAL A 925 -4.302 -7.542 -2.044 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.534 -8.611 -0.995 1.00 0.00 C ATOM 207 CG2 VAL A 925 -3.996 -8.185 -3.388 1.00 0.00 C ATOM 0 H VAL A 925 -6.640 -8.327 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.626 -6.110 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.442 -6.939 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.662 -9.263 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.697 -8.140 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.411 -9.200 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.129 -8.838 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.856 -8.770 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -3.784 -7.409 -4.123 1.00 0.00 H new ATOM 217 N TYR A 926 -5.838 -5.795 -4.400 1.00 0.00 N ATOM 218 CA TYR A 926 -5.864 -4.804 -5.485 1.00 0.00 C ATOM 219 C TYR A 926 -6.975 -3.808 -5.274 1.00 0.00 C ATOM 220 O TYR A 926 -6.845 -2.652 -5.669 1.00 0.00 O ATOM 221 CB TYR A 926 -6.015 -5.468 -6.866 1.00 0.00 C ATOM 222 CG TYR A 926 -7.370 -5.237 -7.518 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.448 -6.061 -7.233 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.573 -4.186 -8.405 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.684 -5.857 -7.799 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.811 -3.972 -8.983 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.864 -4.812 -8.676 1.00 0.00 C ATOM 228 OH TYR A 926 -11.102 -4.604 -9.246 1.00 0.00 O ATOM 0 H TYR A 926 -6.257 -6.691 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.907 -4.283 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.236 -5.089 -7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.851 -6.541 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.313 -6.885 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.752 -3.527 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.508 -6.512 -7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.954 -3.152 -9.671 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.062 -3.826 -9.840 1.00 0.00 H new ATOM 238 N GLU A 927 -8.059 -4.218 -4.678 1.00 0.00 N ATOM 239 CA GLU A 927 -9.154 -3.296 -4.516 1.00 0.00 C ATOM 240 C GLU A 927 -8.941 -2.292 -3.395 1.00 0.00 C ATOM 241 O GLU A 927 -9.516 -1.203 -3.442 1.00 0.00 O ATOM 242 CB GLU A 927 -10.497 -3.969 -4.447 1.00 0.00 C ATOM 243 CG GLU A 927 -11.415 -3.347 -5.448 1.00 0.00 C ATOM 244 CD GLU A 927 -12.880 -3.564 -5.129 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.227 -4.652 -4.615 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.698 -2.661 -5.404 1.00 0.00 O ATOM 0 H GLU A 927 -8.210 -5.155 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.164 -2.711 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.392 -5.035 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.914 -3.871 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.215 -2.277 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.200 -3.758 -6.434 1.00 0.00 H new ATOM 253 N ASN A 928 -8.125 -2.590 -2.412 1.00 0.00 N ATOM 254 CA ASN A 928 -7.709 -1.526 -1.512 1.00 0.00 C ATOM 255 C ASN A 928 -6.756 -0.579 -2.259 1.00 0.00 C ATOM 256 O ASN A 928 -6.886 0.634 -2.175 1.00 0.00 O ATOM 257 CB ASN A 928 -7.049 -2.077 -0.249 1.00 0.00 C ATOM 258 CG ASN A 928 -5.925 -3.002 -0.563 1.00 0.00 C ATOM 259 OD1 ASN A 928 -4.823 -2.576 -0.877 1.00 0.00 O ATOM 260 ND2 ASN A 928 -6.202 -4.285 -0.465 1.00 0.00 N ATOM 0 H ASN A 928 -7.746 -3.516 -2.214 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.594 -0.976 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.679 -1.250 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.794 -2.602 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -5.479 -4.979 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -7.140 -4.585 -0.199 1.00 0.00 H new ATOM 267 N VAL A 929 -5.798 -1.165 -2.978 1.00 0.00 N ATOM 268 CA VAL A 929 -4.914 -0.441 -3.908 1.00 0.00 C ATOM 269 C VAL A 929 -5.663 0.409 -4.937 1.00 0.00 C ATOM 270 O VAL A 929 -5.173 1.483 -5.290 1.00 0.00 O ATOM 271 CB VAL A 929 -3.961 -1.408 -4.642 1.00 0.00 C ATOM 272 CG1 VAL A 929 -3.107 -0.672 -5.662 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.082 -2.144 -3.645 1.00 0.00 C ATOM 0 H VAL A 929 -5.608 -2.166 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.341 0.242 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.569 -2.137 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.446 -1.380 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.752 -0.194 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.510 0.087 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.416 -2.822 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.490 -1.423 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.708 -2.715 -2.960 1.00 0.00 H new ATOM 283 N THR A 930 -6.820 0.003 -5.402 1.00 0.00 N ATOM 284 CA THR A 930 -7.579 0.870 -6.283 1.00 0.00 C ATOM 285 C THR A 930 -7.938 2.150 -5.527 1.00 0.00 C ATOM 286 O THR A 930 -7.806 3.260 -6.041 1.00 0.00 O ATOM 287 CB THR A 930 -8.854 0.172 -6.799 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.506 -1.087 -7.392 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.573 1.036 -7.824 1.00 0.00 C ATOM 0 H THR A 930 -7.252 -0.898 -5.195 1.00 0.00 H new ATOM 0 HA THR A 930 -6.969 1.112 -7.153 1.00 0.00 H new ATOM 0 HB THR A 930 -9.524 0.012 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.937 -1.593 -6.775 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.468 0.520 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.855 1.984 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.912 1.224 -8.670 1.00 0.00 H new ATOM 297 N GLY A 931 -8.357 1.959 -4.285 1.00 0.00 N ATOM 298 CA GLY A 931 -8.654 3.071 -3.406 1.00 0.00 C ATOM 299 C GLY A 931 -7.419 3.881 -3.005 1.00 0.00 C ATOM 300 O GLY A 931 -7.399 5.104 -3.162 1.00 0.00 O ATOM 0 H GLY A 931 -8.498 1.040 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.368 3.732 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -9.138 2.693 -2.506 1.00 0.00 H new ATOM 304 N LEU A 932 -6.383 3.202 -2.508 1.00 0.00 N ATOM 305 CA LEU A 932 -5.195 3.881 -1.975 1.00 0.00 C ATOM 306 C LEU A 932 -4.419 4.639 -3.054 1.00 0.00 C ATOM 307 O LEU A 932 -4.089 5.810 -2.879 1.00 0.00 O ATOM 308 CB LEU A 932 -4.274 2.888 -1.223 1.00 0.00 C ATOM 309 CG LEU A 932 -3.350 1.979 -2.037 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.987 2.634 -2.244 1.00 0.00 C ATOM 311 CD2 LEU A 932 -3.189 0.642 -1.327 1.00 0.00 C ATOM 0 H LEU A 932 -6.340 2.184 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.553 4.624 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.651 3.467 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.909 2.249 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.799 1.815 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.348 1.969 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.113 3.575 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.525 2.826 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.531 -0.002 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.757 0.804 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -4.164 0.166 -1.223 1.00 0.00 H new ATOM 323 N VAL A 933 -4.140 3.970 -4.174 1.00 0.00 N ATOM 324 CA VAL A 933 -3.331 4.557 -5.241 1.00 0.00 C ATOM 325 C VAL A 933 -4.053 5.731 -5.868 1.00 0.00 C ATOM 326 O VAL A 933 -3.441 6.748 -6.209 1.00 0.00 O ATOM 327 CB VAL A 933 -2.982 3.520 -6.335 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.344 4.193 -7.544 1.00 0.00 C ATOM 329 CG2 VAL A 933 -2.046 2.462 -5.783 1.00 0.00 C ATOM 0 H VAL A 933 -4.463 3.021 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.401 4.900 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.910 3.045 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -2.109 3.441 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -3.038 4.922 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.428 4.698 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.811 1.740 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -1.127 2.934 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.527 1.950 -4.950 1.00 0.00 H new ATOM 339 N LYS A 934 -5.358 5.589 -6.002 1.00 0.00 N ATOM 340 CA LYS A 934 -6.176 6.653 -6.551 1.00 0.00 C ATOM 341 C LYS A 934 -6.024 7.922 -5.703 1.00 0.00 C ATOM 342 O LYS A 934 -5.898 9.019 -6.244 1.00 0.00 O ATOM 343 CB LYS A 934 -7.638 6.182 -6.653 1.00 0.00 C ATOM 344 CG LYS A 934 -8.631 7.229 -7.165 1.00 0.00 C ATOM 345 CD LYS A 934 -9.016 8.252 -6.099 1.00 0.00 C ATOM 346 CE LYS A 934 -9.875 7.648 -4.998 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.212 7.238 -5.499 1.00 0.00 N ATOM 0 H LYS A 934 -5.873 4.749 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.842 6.900 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.678 5.315 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.964 5.848 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.196 7.748 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -9.530 6.726 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -8.111 8.673 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.556 9.075 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.366 6.783 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.996 8.373 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.834 7.023 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.625 8.011 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.115 6.392 -6.096 1.00 0.00 H new ATOM 361 N ALA A 935 -5.990 7.766 -4.384 1.00 0.00 N ATOM 362 CA ALA A 935 -5.867 8.907 -3.481 1.00 0.00 C ATOM 363 C ALA A 935 -4.499 9.578 -3.609 1.00 0.00 C ATOM 364 O ALA A 935 -4.373 10.790 -3.437 1.00 0.00 O ATOM 365 CB ALA A 935 -6.111 8.469 -2.045 1.00 0.00 C ATOM 0 H ALA A 935 -6.046 6.862 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.623 9.640 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -6.016 9.329 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.114 8.051 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.378 7.713 -1.766 1.00 0.00 H new ATOM 371 N VAL A 936 -3.484 8.780 -3.920 1.00 0.00 N ATOM 372 CA VAL A 936 -2.121 9.279 -4.109 1.00 0.00 C ATOM 373 C VAL A 936 -2.086 10.402 -5.147 1.00 0.00 C ATOM 374 O VAL A 936 -1.802 11.555 -4.821 1.00 0.00 O ATOM 375 CB VAL A 936 -1.178 8.144 -4.563 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.234 8.659 -4.782 1.00 0.00 C ATOM 377 CG2 VAL A 936 -1.186 7.002 -3.558 1.00 0.00 C ATOM 0 H VAL A 936 -3.579 7.773 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.782 9.668 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.547 7.764 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 936 0.875 7.838 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.224 9.432 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.617 9.078 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.515 6.213 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.852 7.369 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.197 6.604 -3.467 1.00 0.00 H new ATOM 387 N ILE A 937 -2.393 10.056 -6.383 1.00 0.00 N ATOM 388 CA ILE A 937 -2.370 11.009 -7.488 1.00 0.00 C ATOM 389 C ILE A 937 -3.501 12.037 -7.396 1.00 0.00 C ATOM 390 O ILE A 937 -3.284 13.228 -7.655 1.00 0.00 O ATOM 391 CB ILE A 937 -2.453 10.284 -8.850 1.00 0.00 C ATOM 392 CG1 ILE A 937 -3.669 9.351 -8.890 1.00 0.00 C ATOM 393 CG2 ILE A 937 -1.171 9.508 -9.112 1.00 0.00 C ATOM 394 CD1 ILE A 937 -3.855 8.647 -10.219 1.00 0.00 C ATOM 0 H ILE A 937 -2.665 9.111 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.420 11.539 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 937 -2.572 11.031 -9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -3.567 8.603 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -4.566 9.928 -8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -1.242 9.002 -10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -0.326 10.196 -9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -1.025 8.769 -8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -4.734 8.005 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.989 9.388 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -2.975 8.041 -10.436 1.00 0.00 H new ATOM 406 N GLU A 938 -4.687 11.611 -6.990 1.00 0.00 N ATOM 407 CA GLU A 938 -5.839 12.510 -7.015 1.00 0.00 C ATOM 408 C GLU A 938 -5.642 13.653 -6.033 1.00 0.00 C ATOM 409 O GLU A 938 -5.722 14.836 -6.397 1.00 0.00 O ATOM 410 CB GLU A 938 -7.149 11.777 -6.700 1.00 0.00 C ATOM 411 CG GLU A 938 -8.369 12.685 -6.792 1.00 0.00 C ATOM 412 CD GLU A 938 -9.672 11.993 -6.448 1.00 0.00 C ATOM 413 OE1 GLU A 938 -10.049 11.981 -5.260 1.00 0.00 O ATOM 414 OE2 GLU A 938 -10.346 11.488 -7.370 1.00 0.00 O ATOM 0 H GLU A 938 -4.880 10.670 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.913 12.907 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.269 10.943 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.091 11.354 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.231 13.533 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.437 13.086 -7.803 1.00 0.00 H new ATOM 421 N MET A 939 -5.330 13.315 -4.793 1.00 0.00 N ATOM 422 CA MET A 939 -5.206 14.338 -3.785 1.00 0.00 C ATOM 423 C MET A 939 -3.955 15.163 -4.051 1.00 0.00 C ATOM 424 O MET A 939 -3.867 16.322 -3.648 1.00 0.00 O ATOM 425 CB MET A 939 -5.180 13.752 -2.369 1.00 0.00 C ATOM 426 CG MET A 939 -6.530 13.300 -1.830 1.00 0.00 C ATOM 427 SD MET A 939 -7.256 11.939 -2.764 1.00 0.00 S ATOM 428 CE MET A 939 -8.525 11.391 -1.626 1.00 0.00 C ATOM 0 H MET A 939 -5.163 12.362 -4.471 1.00 0.00 H new ATOM 0 HA MET A 939 -6.085 14.980 -3.843 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.499 12.901 -2.358 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.768 14.499 -1.691 1.00 0.00 H new ATOM 0 HG2 MET A 939 -6.414 12.996 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.218 14.145 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.065 10.550 -2.061 1.00 0.00 H new ATOM 0 HE2 MET A 939 -8.064 11.080 -0.689 1.00 0.00 H new ATOM 0 HE3 MET A 939 -9.220 12.209 -1.435 1.00 0.00 H new ATOM 438 N SER A 940 -2.985 14.547 -4.742 1.00 0.00 N ATOM 439 CA SER A 940 -1.675 15.153 -4.917 1.00 0.00 C ATOM 440 C SER A 940 -1.794 16.503 -5.608 1.00 0.00 C ATOM 441 O SER A 940 -1.076 17.446 -5.295 1.00 0.00 O ATOM 442 CB SER A 940 -0.749 14.248 -5.736 1.00 0.00 C ATOM 443 OG SER A 940 -1.037 14.303 -7.122 1.00 0.00 O ATOM 0 H SER A 940 -3.091 13.634 -5.184 1.00 0.00 H new ATOM 0 HA SER A 940 -1.247 15.290 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.287 14.545 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.846 13.220 -5.387 1.00 0.00 H new ATOM 0 HG SER A 940 -2.004 14.218 -7.259 1.00 0.00 H new ATOM 600 N TYR A 951 -3.775 16.948 5.266 1.00 0.00 N ATOM 601 CA TYR A 951 -3.064 15.697 4.974 1.00 0.00 C ATOM 602 C TYR A 951 -3.385 14.545 5.930 1.00 0.00 C ATOM 603 O TYR A 951 -3.555 13.426 5.482 1.00 0.00 O ATOM 604 CB TYR A 951 -1.568 15.966 4.865 1.00 0.00 C ATOM 605 CG TYR A 951 -1.272 16.946 3.750 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.759 16.727 2.477 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.543 18.099 3.972 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.530 17.630 1.461 1.00 0.00 C ATOM 609 CE2 TYR A 951 -0.304 19.005 2.956 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.800 18.766 1.706 1.00 0.00 C ATOM 611 OH TYR A 951 -0.570 19.665 0.697 1.00 0.00 O ATOM 0 HA TYR A 951 -3.433 15.343 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.196 16.362 5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -1.039 15.031 4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.329 15.833 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 951 -0.152 18.296 4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.925 17.444 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.272 19.898 3.150 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.316 19.642 0.062 1.00 0.00 H new ATOM 621 N VAL A 952 -3.456 14.811 7.220 1.00 0.00 N ATOM 622 CA VAL A 952 -3.943 13.851 8.201 1.00 0.00 C ATOM 623 C VAL A 952 -5.325 13.308 7.810 1.00 0.00 C ATOM 624 O VAL A 952 -5.563 12.109 7.912 1.00 0.00 O ATOM 625 CB VAL A 952 -4.010 14.471 9.618 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.444 13.437 10.648 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.668 15.077 10.001 1.00 0.00 C ATOM 0 H VAL A 952 -3.176 15.705 7.623 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.231 13.026 8.216 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.756 15.265 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.482 13.900 11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.431 13.056 10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.729 12.614 10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.735 15.508 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.902 14.301 9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.404 15.857 9.287 1.00 0.00 H new ATOM 637 N PRO A 953 -6.277 14.172 7.389 1.00 0.00 N ATOM 638 CA PRO A 953 -7.562 13.713 6.849 1.00 0.00 C ATOM 639 C PRO A 953 -7.381 12.674 5.733 1.00 0.00 C ATOM 640 O PRO A 953 -8.139 11.711 5.616 1.00 0.00 O ATOM 641 CB PRO A 953 -8.172 15.011 6.317 1.00 0.00 C ATOM 642 CG PRO A 953 -7.677 16.029 7.265 1.00 0.00 C ATOM 643 CD PRO A 953 -6.251 15.641 7.522 1.00 0.00 C ATOM 0 HA PRO A 953 -8.184 13.207 7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.849 15.219 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.261 14.969 6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.746 17.031 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.260 16.031 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.572 16.099 6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.921 15.951 8.514 1.00 0.00 H new ATOM 651 N MET A 954 -6.359 12.900 4.913 1.00 0.00 N ATOM 652 CA MET A 954 -5.976 11.971 3.851 1.00 0.00 C ATOM 653 C MET A 954 -5.211 10.780 4.427 1.00 0.00 C ATOM 654 O MET A 954 -5.308 9.668 3.919 1.00 0.00 O ATOM 655 CB MET A 954 -5.157 12.718 2.801 1.00 0.00 C ATOM 656 CG MET A 954 -4.231 11.850 1.959 1.00 0.00 C ATOM 657 SD MET A 954 -5.103 10.712 0.870 1.00 0.00 S ATOM 658 CE MET A 954 -3.716 9.941 0.040 1.00 0.00 C ATOM 0 H MET A 954 -5.772 13.732 4.965 1.00 0.00 H new ATOM 0 HA MET A 954 -6.870 11.573 3.372 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.842 13.242 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.558 13.478 3.304 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.589 12.494 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.580 11.279 2.621 1.00 0.00 H new ATOM 0 HE1 MET A 954 -4.018 8.968 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 954 -3.389 10.573 -0.785 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.895 9.812 0.746 1.00 0.00 H new ATOM 668 N VAL A 955 -4.457 11.024 5.494 1.00 0.00 N ATOM 669 CA VAL A 955 -3.883 9.939 6.300 1.00 0.00 C ATOM 670 C VAL A 955 -4.999 8.985 6.710 1.00 0.00 C ATOM 671 O VAL A 955 -4.824 7.771 6.722 1.00 0.00 O ATOM 672 CB VAL A 955 -3.188 10.450 7.591 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.713 9.286 8.449 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.020 11.362 7.268 1.00 0.00 C ATOM 0 H VAL A 955 -4.226 11.961 5.825 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.130 9.446 5.685 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.927 11.023 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.230 9.670 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.567 8.670 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.002 8.684 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.556 11.701 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.287 10.817 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.376 12.224 6.704 1.00 0.00 H new ATOM 684 N LYS A 956 -6.146 9.552 7.028 1.00 0.00 N ATOM 685 CA LYS A 956 -7.331 8.778 7.343 1.00 0.00 C ATOM 686 C LYS A 956 -7.848 8.015 6.112 1.00 0.00 C ATOM 687 O LYS A 956 -8.331 6.889 6.230 1.00 0.00 O ATOM 688 CB LYS A 956 -8.395 9.725 7.909 1.00 0.00 C ATOM 689 CG LYS A 956 -9.775 9.115 8.068 1.00 0.00 C ATOM 690 CD LYS A 956 -10.706 9.556 6.949 1.00 0.00 C ATOM 691 CE LYS A 956 -12.095 8.959 7.124 1.00 0.00 C ATOM 692 NZ LYS A 956 -13.048 9.445 6.096 1.00 0.00 N ATOM 0 H LYS A 956 -6.283 10.562 7.075 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.086 8.023 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.059 10.086 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.471 10.594 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.696 8.028 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.195 9.407 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.774 10.644 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -10.294 9.250 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -12.031 7.872 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.474 9.209 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.966 8.974 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -13.170 10.473 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.677 9.229 5.149 1.00 0.00 H new ATOM 706 N GLU A 957 -7.726 8.620 4.930 1.00 0.00 N ATOM 707 CA GLU A 957 -8.244 8.010 3.703 1.00 0.00 C ATOM 708 C GLU A 957 -7.317 6.916 3.169 1.00 0.00 C ATOM 709 O GLU A 957 -7.766 5.820 2.832 1.00 0.00 O ATOM 710 CB GLU A 957 -8.445 9.068 2.617 1.00 0.00 C ATOM 711 CG GLU A 957 -9.614 9.999 2.877 1.00 0.00 C ATOM 712 CD GLU A 957 -10.941 9.269 2.918 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.194 8.424 2.034 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.746 9.545 3.829 1.00 0.00 O ATOM 0 H GLU A 957 -7.276 9.526 4.795 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.201 7.556 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.534 9.660 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.596 8.569 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.458 10.516 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.647 10.762 2.099 1.00 0.00 H new ATOM 721 N VAL A 958 -6.022 7.211 3.110 1.00 0.00 N ATOM 722 CA VAL A 958 -5.042 6.264 2.585 1.00 0.00 C ATOM 723 C VAL A 958 -4.625 5.286 3.665 1.00 0.00 C ATOM 724 O VAL A 958 -4.336 4.130 3.376 1.00 0.00 O ATOM 725 CB VAL A 958 -3.801 6.976 1.987 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.992 7.687 3.064 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.929 5.995 1.217 1.00 0.00 C ATOM 0 H VAL A 958 -5.626 8.099 3.419 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.521 5.717 1.773 1.00 0.00 H new ATOM 0 HB VAL A 958 -4.162 7.733 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.130 8.175 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.616 8.435 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.650 6.961 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -2.066 6.519 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.590 5.206 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.506 5.556 0.403 1.00 0.00 H new ATOM 737 N GLY A 959 -4.646 5.734 4.911 1.00 0.00 N ATOM 738 CA GLY A 959 -4.383 4.838 6.013 1.00 0.00 C ATOM 739 C GLY A 959 -5.406 3.731 6.053 1.00 0.00 C ATOM 740 O GLY A 959 -5.073 2.577 6.300 1.00 0.00 O ATOM 0 H GLY A 959 -4.840 6.700 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.384 4.414 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.402 5.392 6.952 1.00 0.00 H new ATOM 744 N LEU A 960 -6.653 4.089 5.763 1.00 0.00 N ATOM 745 CA LEU A 960 -7.735 3.120 5.705 1.00 0.00 C ATOM 746 C LEU A 960 -7.566 2.215 4.486 1.00 0.00 C ATOM 747 O LEU A 960 -7.830 1.022 4.547 1.00 0.00 O ATOM 748 CB LEU A 960 -9.090 3.845 5.670 1.00 0.00 C ATOM 749 CG LEU A 960 -10.333 2.962 5.839 1.00 0.00 C ATOM 750 CD1 LEU A 960 -11.480 3.772 6.419 1.00 0.00 C ATOM 751 CD2 LEU A 960 -10.761 2.353 4.511 1.00 0.00 C ATOM 0 H LEU A 960 -6.937 5.048 5.564 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.705 2.496 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.096 4.599 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.172 4.374 4.720 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.076 2.154 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -12.355 3.133 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -11.190 4.168 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.719 4.597 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -11.644 1.733 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -10.994 3.149 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -9.951 1.741 4.114 1.00 0.00 H new ATOM 763 N ALA A 961 -7.087 2.781 3.390 1.00 0.00 N ATOM 764 CA ALA A 961 -6.951 2.041 2.142 1.00 0.00 C ATOM 765 C ALA A 961 -5.796 1.037 2.207 1.00 0.00 C ATOM 766 O ALA A 961 -5.929 -0.111 1.795 1.00 0.00 O ATOM 767 CB ALA A 961 -6.753 3.013 0.996 1.00 0.00 C ATOM 0 H ALA A 961 -6.784 3.754 3.338 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.865 1.471 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.651 2.459 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.613 3.679 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.852 3.601 1.169 1.00 0.00 H new ATOM 773 N LEU A 962 -4.683 1.470 2.774 1.00 0.00 N ATOM 774 CA LEU A 962 -3.483 0.645 2.900 1.00 0.00 C ATOM 775 C LEU A 962 -3.600 -0.288 4.105 1.00 0.00 C ATOM 776 O LEU A 962 -2.973 -1.347 4.119 1.00 0.00 O ATOM 777 CB LEU A 962 -2.219 1.539 2.962 1.00 0.00 C ATOM 778 CG LEU A 962 -2.093 2.467 4.178 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.664 1.704 5.422 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.112 3.585 3.879 1.00 0.00 C ATOM 0 H LEU A 962 -4.581 2.407 3.163 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.386 0.013 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.342 0.892 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.191 2.152 2.061 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.075 2.896 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.585 2.393 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.403 0.936 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.696 1.235 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.029 4.238 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.135 3.160 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.466 4.161 3.024 1.00 0.00 H new ATOM 792 N ARG A 963 -4.401 0.053 5.105 1.00 0.00 N ATOM 793 CA ARG A 963 -4.709 -0.932 6.137 1.00 0.00 C ATOM 794 C ARG A 963 -5.677 -1.975 5.588 1.00 0.00 C ATOM 795 O ARG A 963 -5.634 -3.130 6.000 1.00 0.00 O ATOM 796 CB ARG A 963 -5.301 -0.298 7.390 1.00 0.00 C ATOM 797 CG ARG A 963 -6.727 0.172 7.179 1.00 0.00 C ATOM 798 CD ARG A 963 -7.404 0.539 8.477 1.00 0.00 C ATOM 799 NE ARG A 963 -6.683 1.586 9.196 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.243 2.392 10.096 1.00 0.00 C ATOM 801 NH1 ARG A 963 -8.549 2.339 10.323 1.00 0.00 N ATOM 802 NH2 ARG A 963 -6.497 3.270 10.750 1.00 0.00 N ATOM 0 H ARG A 963 -4.836 0.968 5.225 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.768 -1.404 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.276 -1.020 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.683 0.547 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.729 1.035 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.297 -0.614 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.421 0.874 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -7.481 -0.346 9.108 1.00 0.00 H new ATOM 0 HE ARG A 963 -5.690 1.707 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.130 1.678 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -8.972 2.959 11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -5.496 3.328 10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.924 3.888 11.440 1.00 0.00 H new ATOM 816 N THR A 964 -6.543 -1.577 4.657 1.00 0.00 N ATOM 817 CA THR A 964 -7.411 -2.535 3.990 1.00 0.00 C ATOM 818 C THR A 964 -6.552 -3.521 3.216 1.00 0.00 C ATOM 819 O THR A 964 -6.880 -4.702 3.102 1.00 0.00 O ATOM 820 CB THR A 964 -8.425 -1.852 3.043 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.249 -0.950 3.789 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.314 -2.878 2.350 1.00 0.00 C ATOM 0 H THR A 964 -6.659 -0.610 4.353 1.00 0.00 H new ATOM 0 HA THR A 964 -7.993 -3.054 4.752 1.00 0.00 H new ATOM 0 HB THR A 964 -7.862 -1.310 2.283 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.682 -0.323 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.016 -2.366 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 964 -8.696 -3.558 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 964 -9.867 -3.445 3.099 1.00 0.00 H new ATOM 830 N LEU A 965 -5.422 -3.031 2.721 1.00 0.00 N ATOM 831 CA LEU A 965 -4.448 -3.893 2.071 1.00 0.00 C ATOM 832 C LEU A 965 -3.881 -4.850 3.082 1.00 0.00 C ATOM 833 O LEU A 965 -3.955 -6.066 2.925 1.00 0.00 O ATOM 834 CB LEU A 965 -3.298 -3.090 1.465 1.00 0.00 C ATOM 835 CG LEU A 965 -2.206 -3.938 0.797 1.00 0.00 C ATOM 836 CD1 LEU A 965 -2.767 -4.763 -0.350 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.077 -3.056 0.306 1.00 0.00 C ATOM 0 H LEU A 965 -5.160 -2.046 2.758 1.00 0.00 H new ATOM 0 HA LEU A 965 -4.958 -4.427 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -3.705 -2.399 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -2.841 -2.486 2.249 1.00 0.00 H new ATOM 0 HG LEU A 965 -1.816 -4.627 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.967 -5.351 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.541 -5.432 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.196 -4.099 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.312 -3.673 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.464 -2.341 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -0.642 -2.519 1.149 1.00 0.00 H new ATOM 849 N LEU A 966 -3.348 -4.265 4.144 1.00 0.00 N ATOM 850 CA LEU A 966 -2.678 -5.011 5.181 1.00 0.00 C ATOM 851 C LEU A 966 -3.608 -6.084 5.731 1.00 0.00 C ATOM 852 O LEU A 966 -3.195 -7.204 5.962 1.00 0.00 O ATOM 853 CB LEU A 966 -2.223 -4.043 6.286 1.00 0.00 C ATOM 854 CG LEU A 966 -1.287 -4.622 7.354 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.408 -3.524 7.932 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.079 -5.284 8.471 1.00 0.00 C ATOM 0 H LEU A 966 -3.372 -3.258 4.305 1.00 0.00 H new ATOM 0 HA LEU A 966 -1.798 -5.510 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.723 -3.197 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.110 -3.652 6.784 1.00 0.00 H new ATOM 0 HG LEU A 966 -0.659 -5.376 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.252 -3.947 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.190 -3.080 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.035 -2.757 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.392 -5.686 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.731 -4.548 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -2.682 -6.093 8.059 1.00 0.00 H new ATOM 868 N ALA A 967 -4.875 -5.719 5.909 1.00 0.00 N ATOM 869 CA ALA A 967 -5.891 -6.633 6.415 1.00 0.00 C ATOM 870 C ALA A 967 -6.289 -7.685 5.383 1.00 0.00 C ATOM 871 O ALA A 967 -6.529 -8.828 5.757 1.00 0.00 O ATOM 872 CB ALA A 967 -7.112 -5.864 6.901 1.00 0.00 C ATOM 0 H ALA A 967 -5.224 -4.782 5.706 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.453 -7.165 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -7.858 -6.565 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -6.819 -5.185 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.534 -5.291 6.075 1.00 0.00 H new ATOM 878 N THR A 968 -6.353 -7.337 4.100 1.00 0.00 N ATOM 879 CA THR A 968 -6.651 -8.354 3.095 1.00 0.00 C ATOM 880 C THR A 968 -5.502 -9.356 3.030 1.00 0.00 C ATOM 881 O THR A 968 -5.717 -10.562 2.980 1.00 0.00 O ATOM 882 CB THR A 968 -6.919 -7.780 1.679 1.00 0.00 C ATOM 883 OG1 THR A 968 -7.885 -6.721 1.739 1.00 0.00 O ATOM 884 CG2 THR A 968 -7.444 -8.881 0.775 1.00 0.00 C ATOM 0 H THR A 968 -6.208 -6.394 3.740 1.00 0.00 H new ATOM 0 HA THR A 968 -7.576 -8.837 3.410 1.00 0.00 H new ATOM 0 HB THR A 968 -5.984 -7.385 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 968 -7.456 -5.906 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 968 -7.632 -8.476 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 968 -6.706 -9.680 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.372 -9.278 1.186 1.00 0.00 H new ATOM 892 N VAL A 969 -4.285 -8.838 3.081 1.00 0.00 N ATOM 893 CA VAL A 969 -3.083 -9.666 3.064 1.00 0.00 C ATOM 894 C VAL A 969 -2.894 -10.387 4.408 1.00 0.00 C ATOM 895 O VAL A 969 -2.465 -11.538 4.443 1.00 0.00 O ATOM 896 CB VAL A 969 -1.835 -8.822 2.719 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.624 -9.708 2.473 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.109 -7.934 1.509 1.00 0.00 C ATOM 0 H VAL A 969 -4.100 -7.836 3.135 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.208 -10.421 2.287 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.612 -8.183 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.239 -9.087 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.412 -10.292 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.829 -10.382 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.220 -7.347 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.364 -8.556 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.940 -7.264 1.730 1.00 0.00 H new ATOM 908 N ASP A 970 -3.289 -9.749 5.499 1.00 0.00 N ATOM 909 CA ASP A 970 -3.173 -10.366 6.826 1.00 0.00 C ATOM 910 C ASP A 970 -4.138 -11.527 6.910 1.00 0.00 C ATOM 911 O ASP A 970 -3.816 -12.613 7.400 1.00 0.00 O ATOM 912 CB ASP A 970 -3.484 -9.355 7.937 1.00 0.00 C ATOM 913 CG ASP A 970 -3.542 -9.983 9.317 1.00 0.00 C ATOM 914 OD1 ASP A 970 -4.622 -10.464 9.718 1.00 0.00 O ATOM 915 OD2 ASP A 970 -2.512 -9.980 10.016 1.00 0.00 O ATOM 0 H ASP A 970 -3.691 -8.811 5.500 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.149 -10.713 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -2.724 -8.574 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.438 -8.873 7.724 1.00 0.00 H new ATOM 920 N GLU A 971 -5.320 -11.280 6.393 1.00 0.00 N ATOM 921 CA GLU A 971 -6.357 -12.277 6.345 1.00 0.00 C ATOM 922 C GLU A 971 -5.986 -13.362 5.343 1.00 0.00 C ATOM 923 O GLU A 971 -6.351 -14.520 5.502 1.00 0.00 O ATOM 924 CB GLU A 971 -7.660 -11.604 5.962 1.00 0.00 C ATOM 925 CG GLU A 971 -8.881 -12.481 6.159 1.00 0.00 C ATOM 926 CD GLU A 971 -10.152 -11.822 5.677 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.534 -10.776 6.240 1.00 0.00 O ATOM 928 OE2 GLU A 971 -10.782 -12.353 4.740 1.00 0.00 O ATOM 0 H GLU A 971 -5.587 -10.380 5.994 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.473 -12.749 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -7.777 -10.696 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.608 -11.299 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -8.739 -13.421 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -8.981 -12.726 7.216 1.00 0.00 H new ATOM 935 N SER A 972 -5.235 -12.978 4.322 1.00 0.00 N ATOM 936 CA SER A 972 -4.709 -13.932 3.356 1.00 0.00 C ATOM 937 C SER A 972 -3.682 -14.847 4.009 1.00 0.00 C ATOM 938 O SER A 972 -3.376 -15.911 3.486 1.00 0.00 O ATOM 939 CB SER A 972 -4.088 -13.218 2.154 1.00 0.00 C ATOM 940 OG SER A 972 -5.075 -12.526 1.405 1.00 0.00 O ATOM 0 H SER A 972 -4.975 -12.009 4.140 1.00 0.00 H new ATOM 0 HA SER A 972 -5.543 -14.536 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.328 -12.516 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.585 -13.944 1.515 1.00 0.00 H new ATOM 0 HG SER A 972 -5.538 -11.887 1.986 1.00 0.00 H new ATOM 946 N LEU A 973 -3.164 -14.443 5.163 1.00 0.00 N ATOM 947 CA LEU A 973 -2.157 -15.234 5.851 1.00 0.00 C ATOM 948 C LEU A 973 -2.772 -16.537 6.384 1.00 0.00 C ATOM 949 O LEU A 973 -2.223 -17.612 6.142 1.00 0.00 O ATOM 950 CB LEU A 973 -1.504 -14.405 6.974 1.00 0.00 C ATOM 951 CG LEU A 973 -0.384 -15.086 7.771 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.600 -14.049 8.288 1.00 0.00 C ATOM 953 CD2 LEU A 973 -0.953 -15.878 8.940 1.00 0.00 C ATOM 0 H LEU A 973 -3.424 -13.578 5.637 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.373 -15.508 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.102 -13.493 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.285 -14.104 7.673 1.00 0.00 H new ATOM 0 HG LEU A 973 0.134 -15.774 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.390 -14.546 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 973 1.038 -13.512 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 973 0.079 -13.345 8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.139 -16.351 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.497 -15.206 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.631 -16.644 8.565 1.00 0.00 H new ATOM 965 N PRO A 974 -3.901 -16.488 7.138 1.00 0.00 N ATOM 966 CA PRO A 974 -4.592 -17.707 7.575 1.00 0.00 C ATOM 967 C PRO A 974 -5.580 -18.277 6.542 1.00 0.00 C ATOM 968 O PRO A 974 -5.832 -19.483 6.532 1.00 0.00 O ATOM 969 CB PRO A 974 -5.349 -17.269 8.840 1.00 0.00 C ATOM 970 CG PRO A 974 -5.041 -15.816 9.029 1.00 0.00 C ATOM 971 CD PRO A 974 -4.547 -15.310 7.706 1.00 0.00 C ATOM 0 HA PRO A 974 -3.875 -18.512 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.421 -17.428 8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.030 -17.850 9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -5.929 -15.269 9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.287 -15.677 9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.363 -14.952 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -3.849 -14.481 7.824 1.00 0.00 H new ATOM 979 N VAL A 975 -6.143 -17.427 5.682 1.00 0.00 N ATOM 980 CA VAL A 975 -7.143 -17.887 4.711 1.00 0.00 C ATOM 981 C VAL A 975 -6.497 -18.696 3.587 1.00 0.00 C ATOM 982 O VAL A 975 -7.035 -19.719 3.157 1.00 0.00 O ATOM 983 CB VAL A 975 -7.961 -16.713 4.119 1.00 0.00 C ATOM 984 CG1 VAL A 975 -8.796 -17.169 2.928 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.865 -16.116 5.185 1.00 0.00 C ATOM 0 H VAL A 975 -5.930 -16.431 5.635 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.830 -18.534 5.256 1.00 0.00 H new ATOM 0 HB VAL A 975 -7.259 -15.954 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -9.359 -16.323 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -8.139 -17.561 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -9.488 -17.949 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -9.436 -15.291 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.550 -16.881 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.258 -15.747 6.012 1.00 0.00 H new ATOM 1049 N THR A 980 2.081 -19.927 3.621 1.00 0.00 N ATOM 1050 CA THR A 980 2.275 -18.753 2.778 1.00 0.00 C ATOM 1051 C THR A 980 2.496 -17.522 3.670 1.00 0.00 C ATOM 1052 O THR A 980 2.963 -16.474 3.220 1.00 0.00 O ATOM 1053 CB THR A 980 1.067 -18.551 1.822 1.00 0.00 C ATOM 1054 OG1 THR A 980 0.971 -19.669 0.937 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.192 -17.284 1.002 1.00 0.00 C ATOM 0 HA THR A 980 3.156 -18.898 2.153 1.00 0.00 H new ATOM 0 HB THR A 980 0.172 -18.466 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.236 -20.485 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.325 -17.186 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 980 1.244 -16.423 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 980 2.098 -17.330 0.397 1.00 0.00 H new ATOM 1063 N HIS A 981 2.251 -17.733 4.964 1.00 0.00 N ATOM 1064 CA HIS A 981 2.276 -16.681 5.995 1.00 0.00 C ATOM 1065 C HIS A 981 3.522 -15.789 5.965 1.00 0.00 C ATOM 1066 O HIS A 981 3.408 -14.594 6.197 1.00 0.00 O ATOM 1067 CB HIS A 981 2.140 -17.296 7.403 1.00 0.00 C ATOM 1068 CG HIS A 981 3.330 -18.083 7.877 1.00 0.00 C ATOM 1069 ND1 HIS A 981 3.935 -17.883 9.097 1.00 0.00 N ATOM 1070 CD2 HIS A 981 4.004 -19.091 7.292 1.00 0.00 C ATOM 1071 CE1 HIS A 981 4.923 -18.744 9.243 1.00 0.00 C ATOM 1072 NE2 HIS A 981 4.989 -19.495 8.159 1.00 0.00 N ATOM 0 H HIS A 981 2.025 -18.655 5.337 1.00 0.00 H new ATOM 0 HA HIS A 981 1.424 -16.042 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.949 -16.493 8.115 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.266 -17.947 7.414 1.00 0.00 H new ATOM 0 HD2 HIS A 981 3.805 -19.507 6.315 1.00 0.00 H new ATOM 0 HE1 HIS A 981 5.570 -18.822 10.105 1.00 0.00 H new ATOM 0 HE2 HIS A 981 5.658 -20.247 7.994 1.00 0.00 H new ATOM 1081 N ARG A 982 4.689 -16.329 5.635 1.00 0.00 N ATOM 1082 CA ARG A 982 5.928 -15.564 5.825 1.00 0.00 C ATOM 1083 C ARG A 982 6.122 -14.550 4.706 1.00 0.00 C ATOM 1084 O ARG A 982 6.863 -13.581 4.866 1.00 0.00 O ATOM 1085 CB ARG A 982 7.161 -16.454 5.988 1.00 0.00 C ATOM 1086 CG ARG A 982 7.430 -17.346 4.785 1.00 0.00 C ATOM 1087 CD ARG A 982 8.810 -17.980 4.841 1.00 0.00 C ATOM 1088 NE ARG A 982 8.988 -18.848 6.004 1.00 0.00 N ATOM 1089 CZ ARG A 982 9.687 -19.983 5.979 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.204 -20.424 4.834 1.00 0.00 N ATOM 1091 NH2 ARG A 982 9.852 -20.681 7.097 1.00 0.00 N ATOM 0 H ARG A 982 4.810 -17.264 5.246 1.00 0.00 H new ATOM 0 HA ARG A 982 5.817 -15.022 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.033 -15.824 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.034 -17.079 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.673 -18.129 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.338 -16.759 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 982 8.976 -18.559 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.565 -17.194 4.861 1.00 0.00 H new ATOM 0 HE ARG A 982 8.553 -18.570 6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.066 -19.893 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 982 10.739 -21.293 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.445 -20.348 7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 982 10.386 -21.550 7.082 1.00 0.00 H new ATOM 1105 N GLU A 983 5.451 -14.744 3.592 1.00 0.00 N ATOM 1106 CA GLU A 983 5.448 -13.734 2.552 1.00 0.00 C ATOM 1107 C GLU A 983 4.522 -12.594 2.942 1.00 0.00 C ATOM 1108 O GLU A 983 4.832 -11.427 2.711 1.00 0.00 O ATOM 1109 CB GLU A 983 4.998 -14.318 1.228 1.00 0.00 C ATOM 1110 CG GLU A 983 6.102 -14.383 0.177 1.00 0.00 C ATOM 1111 CD GLU A 983 7.098 -15.503 0.409 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.288 -15.909 1.572 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.691 -15.980 -0.582 1.00 0.00 O ATOM 0 H GLU A 983 4.906 -15.580 3.382 1.00 0.00 H new ATOM 0 HA GLU A 983 6.466 -13.360 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.611 -15.323 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.174 -13.720 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.649 -14.509 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.635 -13.432 0.163 1.00 0.00 H new ATOM 1120 N ILE A 984 3.401 -12.936 3.567 1.00 0.00 N ATOM 1121 CA ILE A 984 2.475 -11.932 4.071 1.00 0.00 C ATOM 1122 C ILE A 984 3.152 -11.177 5.193 1.00 0.00 C ATOM 1123 O ILE A 984 3.001 -9.962 5.317 1.00 0.00 O ATOM 1124 CB ILE A 984 1.157 -12.554 4.597 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.285 -13.084 3.454 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.380 -11.551 5.433 1.00 0.00 C ATOM 1127 CD1 ILE A 984 0.609 -14.500 3.041 1.00 0.00 C ATOM 0 H ILE A 984 3.113 -13.900 3.736 1.00 0.00 H new ATOM 0 HA ILE A 984 2.214 -11.268 3.247 1.00 0.00 H new ATOM 0 HB ILE A 984 1.428 -13.399 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.761 -13.035 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.399 -12.429 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.541 -12.011 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.985 -11.241 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 984 0.138 -10.680 4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.051 -14.802 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 984 1.645 -14.553 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 984 0.467 -15.168 3.890 1.00 0.00 H new ATOM 1139 N GLU A 985 3.950 -11.898 5.959 1.00 0.00 N ATOM 1140 CA GLU A 985 4.691 -11.310 7.049 1.00 0.00 C ATOM 1141 C GLU A 985 5.570 -10.178 6.548 1.00 0.00 C ATOM 1142 O GLU A 985 5.476 -9.042 7.014 1.00 0.00 O ATOM 1143 CB GLU A 985 5.558 -12.371 7.733 1.00 0.00 C ATOM 1144 CG GLU A 985 4.753 -13.351 8.572 1.00 0.00 C ATOM 1145 CD GLU A 985 5.619 -14.359 9.297 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.252 -13.988 10.310 1.00 0.00 O ATOM 1147 OE2 GLU A 985 5.671 -15.526 8.865 1.00 0.00 O ATOM 0 H GLU A 985 4.099 -12.900 5.841 1.00 0.00 H new ATOM 0 HA GLU A 985 3.978 -10.910 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 985 6.113 -12.922 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 985 6.293 -11.876 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 985 4.162 -12.797 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 985 4.050 -13.880 7.928 1.00 0.00 H new ATOM 1154 N MET A 986 6.367 -10.494 5.539 1.00 0.00 N ATOM 1155 CA MET A 986 7.363 -9.574 5.019 1.00 0.00 C ATOM 1156 C MET A 986 6.715 -8.412 4.275 1.00 0.00 C ATOM 1157 O MET A 986 7.143 -7.263 4.380 1.00 0.00 O ATOM 1158 CB MET A 986 8.296 -10.334 4.071 1.00 0.00 C ATOM 1159 CG MET A 986 9.225 -11.311 4.776 1.00 0.00 C ATOM 1160 SD MET A 986 10.268 -12.232 3.626 1.00 0.00 S ATOM 1161 CE MET A 986 11.195 -10.903 2.860 1.00 0.00 C ATOM 0 H MET A 986 6.341 -11.394 5.059 1.00 0.00 H new ATOM 0 HA MET A 986 7.925 -9.163 5.857 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.694 -10.880 3.344 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.896 -9.615 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 986 9.857 -10.765 5.476 1.00 0.00 H new ATOM 0 HG3 MET A 986 8.631 -12.012 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 986 12.231 -11.213 2.726 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.758 -10.667 1.890 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.160 -10.020 3.498 1.00 0.00 H new ATOM 1171 N ALA A 987 5.677 -8.741 3.527 1.00 0.00 N ATOM 1172 CA ALA A 987 5.064 -7.822 2.578 1.00 0.00 C ATOM 1173 C ALA A 987 4.181 -6.780 3.252 1.00 0.00 C ATOM 1174 O ALA A 987 4.341 -5.586 3.015 1.00 0.00 O ATOM 1175 CB ALA A 987 4.268 -8.608 1.558 1.00 0.00 C ATOM 0 H ALA A 987 5.231 -9.658 3.559 1.00 0.00 H new ATOM 0 HA ALA A 987 5.867 -7.275 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.809 -7.921 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.931 -9.291 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.490 -9.179 2.065 1.00 0.00 H new ATOM 1181 N GLN A 988 3.243 -7.225 4.088 1.00 0.00 N ATOM 1182 CA GLN A 988 2.368 -6.273 4.782 1.00 0.00 C ATOM 1183 C GLN A 988 3.201 -5.408 5.722 1.00 0.00 C ATOM 1184 O GLN A 988 2.837 -4.282 6.053 1.00 0.00 O ATOM 1185 CB GLN A 988 1.235 -6.979 5.536 1.00 0.00 C ATOM 1186 CG GLN A 988 1.668 -7.719 6.791 1.00 0.00 C ATOM 1187 CD GLN A 988 0.538 -8.529 7.397 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -0.689 -8.061 7.216 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.767 -9.562 8.025 1.00 0.00 N flip ATOM 0 H GLN A 988 3.070 -8.208 4.299 1.00 0.00 H new ATOM 0 HA GLN A 988 1.894 -5.636 4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.483 -6.239 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.755 -7.687 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.500 -8.381 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 988 2.033 -7.002 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.727 -9.886 8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.003 -10.094 8.430 1.00 0.00 H new ATOM 1198 N LYS A 989 4.334 -5.961 6.126 1.00 0.00 N ATOM 1199 CA LYS A 989 5.336 -5.246 6.892 1.00 0.00 C ATOM 1200 C LYS A 989 6.100 -4.240 6.027 1.00 0.00 C ATOM 1201 O LYS A 989 6.503 -3.173 6.491 1.00 0.00 O ATOM 1202 CB LYS A 989 6.308 -6.265 7.456 1.00 0.00 C ATOM 1203 CG LYS A 989 7.641 -5.687 7.864 1.00 0.00 C ATOM 1204 CD LYS A 989 8.595 -6.761 8.348 1.00 0.00 C ATOM 1205 CE LYS A 989 9.813 -6.162 9.034 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.474 -5.116 8.208 1.00 0.00 N ATOM 0 H LYS A 989 4.584 -6.930 5.928 1.00 0.00 H new ATOM 0 HA LYS A 989 4.842 -4.687 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.852 -6.745 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.474 -7.043 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 989 8.084 -5.162 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.492 -4.951 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.076 -7.424 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.916 -7.371 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 989 9.513 -5.731 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.529 -6.954 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.401 -4.884 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 10.603 -5.469 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 9.881 -4.262 8.189 1.00 0.00 H new ATOM 1220 N LEU A 990 6.392 -4.626 4.794 1.00 0.00 N ATOM 1221 CA LEU A 990 7.081 -3.728 3.887 1.00 0.00 C ATOM 1222 C LEU A 990 6.323 -2.409 3.687 1.00 0.00 C ATOM 1223 O LEU A 990 6.870 -1.335 3.962 1.00 0.00 O ATOM 1224 CB LEU A 990 7.346 -4.403 2.557 1.00 0.00 C ATOM 1225 CG LEU A 990 8.370 -3.670 1.720 1.00 0.00 C ATOM 1226 CD1 LEU A 990 9.751 -3.775 2.348 1.00 0.00 C ATOM 1227 CD2 LEU A 990 8.379 -4.198 0.294 1.00 0.00 C ATOM 0 H LEU A 990 6.166 -5.541 4.405 1.00 0.00 H new ATOM 0 HA LEU A 990 8.037 -3.481 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.691 -5.422 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.412 -4.475 1.999 1.00 0.00 H new ATOM 0 HG LEU A 990 8.093 -2.616 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 990 10.473 -3.241 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.732 -3.336 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 990 10.040 -4.824 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 990 9.123 -3.656 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.626 -5.260 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 990 7.395 -4.057 -0.152 1.00 0.00 H new ATOM 1239 N LEU A 991 5.076 -2.483 3.217 1.00 0.00 N ATOM 1240 CA LEU A 991 4.232 -1.291 3.075 1.00 0.00 C ATOM 1241 C LEU A 991 4.139 -0.560 4.396 1.00 0.00 C ATOM 1242 O LEU A 991 4.090 0.666 4.446 1.00 0.00 O ATOM 1243 CB LEU A 991 2.821 -1.676 2.665 1.00 0.00 C ATOM 1244 CG LEU A 991 1.923 -0.503 2.268 1.00 0.00 C ATOM 1245 CD1 LEU A 991 2.221 -0.051 0.849 1.00 0.00 C ATOM 1246 CD2 LEU A 991 0.457 -0.871 2.425 1.00 0.00 C ATOM 0 H LEU A 991 4.628 -3.353 2.929 1.00 0.00 H new ATOM 0 HA LEU A 991 4.684 -0.657 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.879 -2.371 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.352 -2.211 3.491 1.00 0.00 H new ATOM 0 HG LEU A 991 2.136 0.330 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 991 1.570 0.784 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.262 0.265 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.045 -0.877 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.164 -0.023 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 991 0.225 -1.723 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 991 0.257 -1.131 3.464 1.00 0.00 H new ATOM 1258 N ASN A 992 4.143 -1.351 5.454 1.00 0.00 N ATOM 1259 CA ASN A 992 4.024 -0.875 6.821 1.00 0.00 C ATOM 1260 C ASN A 992 4.982 0.285 7.099 1.00 0.00 C ATOM 1261 O ASN A 992 4.567 1.349 7.561 1.00 0.00 O ATOM 1262 CB ASN A 992 4.347 -2.032 7.749 1.00 0.00 C ATOM 1263 CG ASN A 992 4.193 -1.697 9.217 1.00 0.00 C ATOM 1264 OD1 ASN A 992 5.088 -1.121 9.837 1.00 0.00 O ATOM 1265 ND2 ASN A 992 3.072 -2.099 9.791 1.00 0.00 N ATOM 0 H ASN A 992 4.231 -2.365 5.385 1.00 0.00 H new ATOM 0 HA ASN A 992 3.010 -0.510 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.696 -2.872 7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 992 5.371 -2.358 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.922 -1.936 10.787 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.357 -2.573 9.238 1.00 0.00 H new ATOM 1272 N SER A 993 6.256 0.089 6.816 1.00 0.00 N ATOM 1273 CA SER A 993 7.233 1.141 7.038 1.00 0.00 C ATOM 1274 C SER A 993 7.187 2.212 5.943 1.00 0.00 C ATOM 1275 O SER A 993 7.478 3.376 6.214 1.00 0.00 O ATOM 1276 CB SER A 993 8.635 0.546 7.180 1.00 0.00 C ATOM 1277 OG SER A 993 8.868 -0.441 6.187 1.00 0.00 O ATOM 0 H SER A 993 6.637 -0.778 6.436 1.00 0.00 H new ATOM 0 HA SER A 993 6.975 1.640 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 993 9.381 1.337 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.749 0.106 8.170 1.00 0.00 H new ATOM 0 HG SER A 993 9.771 -0.807 6.295 1.00 0.00 H new ATOM 1283 N ASP A 994 6.813 1.844 4.723 1.00 0.00 N ATOM 1284 CA ASP A 994 6.760 2.840 3.650 1.00 0.00 C ATOM 1285 C ASP A 994 5.609 3.828 3.882 1.00 0.00 C ATOM 1286 O ASP A 994 5.735 5.022 3.635 1.00 0.00 O ATOM 1287 CB ASP A 994 6.653 2.191 2.271 1.00 0.00 C ATOM 1288 CG ASP A 994 7.659 2.782 1.299 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.168 3.892 1.563 1.00 0.00 O ATOM 1290 OD2 ASP A 994 7.973 2.130 0.280 1.00 0.00 O ATOM 0 H ASP A 994 6.549 0.896 4.453 1.00 0.00 H new ATOM 0 HA ASP A 994 7.699 3.392 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.818 1.117 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.645 2.328 1.881 1.00 0.00 H new ATOM 1295 N LEU A 995 4.480 3.315 4.358 1.00 0.00 N ATOM 1296 CA LEU A 995 3.358 4.152 4.791 1.00 0.00 C ATOM 1297 C LEU A 995 3.719 4.926 6.052 1.00 0.00 C ATOM 1298 O LEU A 995 3.076 5.923 6.364 1.00 0.00 O ATOM 1299 CB LEU A 995 2.088 3.320 5.006 1.00 0.00 C ATOM 1300 CG LEU A 995 2.067 2.464 6.277 1.00 0.00 C ATOM 1301 CD1 LEU A 995 1.320 3.176 7.395 1.00 0.00 C ATOM 1302 CD2 LEU A 995 1.451 1.102 6.007 1.00 0.00 C ATOM 0 H LEU A 995 4.313 2.313 4.456 1.00 0.00 H new ATOM 0 HA LEU A 995 3.152 4.868 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.232 3.995 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.954 2.665 4.145 1.00 0.00 H new ATOM 0 HG LEU A 995 3.098 2.312 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.318 2.550 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.813 4.122 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 995 0.293 3.366 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.449 0.515 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.427 1.229 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.034 0.583 5.246 1.00 0.00 H new ATOM 1314 N ALA A 996 4.751 4.517 6.758 1.00 0.00 N ATOM 1315 CA ALA A 996 5.283 5.373 7.822 1.00 0.00 C ATOM 1316 C ALA A 996 6.150 6.491 7.222 1.00 0.00 C ATOM 1317 O ALA A 996 6.269 7.577 7.802 1.00 0.00 O ATOM 1318 CB ALA A 996 6.037 4.572 8.868 1.00 0.00 C ATOM 0 H ALA A 996 5.233 3.627 6.629 1.00 0.00 H new ATOM 0 HA ALA A 996 4.442 5.836 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 996 6.415 5.244 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 996 5.366 3.842 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.872 4.054 8.397 1.00 0.00 H new ATOM 1324 N GLU A 997 6.689 6.258 6.033 1.00 0.00 N ATOM 1325 CA GLU A 997 7.405 7.298 5.295 1.00 0.00 C ATOM 1326 C GLU A 997 6.419 8.314 4.767 1.00 0.00 C ATOM 1327 O GLU A 997 6.624 9.522 4.892 1.00 0.00 O ATOM 1328 CB GLU A 997 8.154 6.709 4.107 1.00 0.00 C ATOM 1329 CG GLU A 997 9.170 5.665 4.481 1.00 0.00 C ATOM 1330 CD GLU A 997 10.301 6.236 5.309 1.00 0.00 C ATOM 1331 OE1 GLU A 997 10.861 7.284 4.916 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.639 5.642 6.352 1.00 0.00 O ATOM 0 H GLU A 997 6.646 5.358 5.556 1.00 0.00 H new ATOM 0 HA GLU A 997 8.116 7.763 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.433 6.269 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.656 7.515 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.680 4.868 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.577 5.216 3.575 1.00 0.00 H new ATOM 1339 N LEU A 998 5.348 7.800 4.190 1.00 0.00 N ATOM 1340 CA LEU A 998 4.316 8.622 3.592 1.00 0.00 C ATOM 1341 C LEU A 998 3.747 9.625 4.586 1.00 0.00 C ATOM 1342 O LEU A 998 3.636 10.819 4.293 1.00 0.00 O ATOM 1343 CB LEU A 998 3.192 7.728 3.091 1.00 0.00 C ATOM 1344 CG LEU A 998 1.806 8.382 3.091 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.440 8.885 1.708 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.753 7.426 3.622 1.00 0.00 C ATOM 0 H LEU A 998 5.170 6.798 4.124 1.00 0.00 H new ATOM 0 HA LEU A 998 4.764 9.177 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.427 7.406 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.156 6.831 3.710 1.00 0.00 H new ATOM 0 HG LEU A 998 1.842 9.243 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.452 9.344 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.174 9.623 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.431 8.050 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.221 7.915 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.719 6.536 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.004 7.139 4.643 1.00 0.00 H new ATOM 1358 N ILE A 999 3.437 9.135 5.778 1.00 0.00 N ATOM 1359 CA ILE A 999 2.753 9.936 6.787 1.00 0.00 C ATOM 1360 C ILE A 999 3.636 11.073 7.288 1.00 0.00 C ATOM 1361 O ILE A 999 3.151 12.174 7.531 1.00 0.00 O ATOM 1362 CB ILE A 999 2.271 9.059 7.965 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.212 8.061 7.477 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.712 9.923 9.087 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.754 7.084 8.539 1.00 0.00 C ATOM 0 H ILE A 999 3.649 8.182 6.072 1.00 0.00 H new ATOM 0 HA ILE A 999 1.877 10.377 6.312 1.00 0.00 H new ATOM 0 HB ILE A 999 3.124 8.505 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.348 8.614 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.615 7.502 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.379 9.285 9.906 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.488 10.599 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.869 10.504 8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 999 0.006 6.412 8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.606 6.503 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.319 7.632 9.375 1.00 0.00 H new ATOM 1377 N ASN A1000 4.934 10.828 7.416 1.00 0.00 N ATOM 1378 CA ASN A1000 5.853 11.882 7.848 1.00 0.00 C ATOM 1379 C ASN A1000 5.913 13.025 6.832 1.00 0.00 C ATOM 1380 O ASN A1000 6.007 14.199 7.198 1.00 0.00 O ATOM 1381 CB ASN A1000 7.257 11.318 8.081 1.00 0.00 C ATOM 1382 CG ASN A1000 7.435 10.763 9.481 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.781 11.497 10.408 1.00 0.00 O ATOM 1384 ND2 ASN A1000 7.220 9.468 9.652 1.00 0.00 N ATOM 0 H ASN A1000 5.372 9.926 7.231 1.00 0.00 H new ATOM 0 HA ASN A1000 5.470 12.280 8.788 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.454 10.530 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.994 12.103 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A1000 7.340 9.048 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.934 8.890 8.862 1.00 0.00 H new ATOM 1391 N LYS A1001 5.813 12.678 5.560 1.00 0.00 N ATOM 1392 CA LYS A1001 5.978 13.650 4.484 1.00 0.00 C ATOM 1393 C LYS A1001 4.716 14.488 4.349 1.00 0.00 C ATOM 1394 O LYS A1001 4.757 15.719 4.291 1.00 0.00 O ATOM 1395 CB LYS A1001 6.276 12.945 3.156 1.00 0.00 C ATOM 1396 CG LYS A1001 7.369 11.885 3.238 1.00 0.00 C ATOM 1397 CD LYS A1001 8.677 12.442 3.779 1.00 0.00 C ATOM 1398 CE LYS A1001 9.780 11.390 3.749 1.00 0.00 C ATOM 1399 NZ LYS A1001 9.489 10.242 4.650 1.00 0.00 N ATOM 0 H LYS A1001 5.618 11.728 5.243 1.00 0.00 H new ATOM 0 HA LYS A1001 6.820 14.297 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.360 12.478 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.567 13.693 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A1001 7.033 11.069 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.539 11.464 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.979 13.306 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.531 12.791 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A1001 9.905 11.026 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.725 11.848 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.223 9.514 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.480 10.569 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 8.561 9.839 4.410 1.00 0.00 H new ATOM 1413 N MET A1002 3.585 13.810 4.376 1.00 0.00 N ATOM 1414 CA MET A1002 2.307 14.481 4.255 1.00 0.00 C ATOM 1415 C MET A1002 2.119 15.403 5.446 1.00 0.00 C ATOM 1416 O MET A1002 1.451 16.435 5.377 1.00 0.00 O ATOM 1417 CB MET A1002 1.168 13.457 4.184 1.00 0.00 C ATOM 1418 CG MET A1002 1.003 12.563 5.391 1.00 0.00 C ATOM 1419 SD MET A1002 0.249 10.983 4.950 1.00 0.00 S ATOM 1420 CE MET A1002 -1.137 11.527 3.954 1.00 0.00 C ATOM 0 H MET A1002 3.526 12.797 4.480 1.00 0.00 H new ATOM 0 HA MET A1002 2.290 15.067 3.336 1.00 0.00 H new ATOM 0 HB2 MET A1002 0.233 13.994 4.024 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.327 12.827 3.309 1.00 0.00 H new ATOM 0 HG2 MET A1002 1.976 12.387 5.850 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.386 13.066 6.135 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.962 10.823 4.063 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.457 12.515 4.285 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.836 11.575 2.907 1.00 0.00 H new ATOM 1430 N LYS A1003 2.791 15.032 6.531 1.00 0.00 N ATOM 1431 CA LYS A1003 2.544 15.612 7.830 1.00 0.00 C ATOM 1432 C LYS A1003 3.017 17.058 7.865 1.00 0.00 C ATOM 1433 O LYS A1003 2.268 17.968 8.220 1.00 0.00 O ATOM 1434 CB LYS A1003 3.273 14.809 8.911 1.00 0.00 C ATOM 1435 CG LYS A1003 2.507 14.682 10.219 1.00 0.00 C ATOM 1436 CD LYS A1003 1.250 13.842 10.049 1.00 0.00 C ATOM 1437 CE LYS A1003 0.526 13.638 11.375 1.00 0.00 C ATOM 1438 NZ LYS A1003 1.290 12.767 12.312 1.00 0.00 N ATOM 0 H LYS A1003 3.521 14.320 6.526 1.00 0.00 H new ATOM 0 HA LYS A1003 1.471 15.585 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.481 13.810 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.235 15.281 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A1003 3.149 14.230 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.237 15.674 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.580 14.328 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.514 12.873 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A1003 0.352 14.607 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -0.452 13.195 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 0.695 12.534 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.566 11.891 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 2.143 13.267 12.634 1.00 0.00 H new ATOM 1452 N LEU A1004 4.270 17.258 7.479 1.00 0.00 N ATOM 1453 CA LEU A1004 4.867 18.590 7.448 1.00 0.00 C ATOM 1454 C LEU A1004 4.365 19.401 6.263 1.00 0.00 C ATOM 1455 O LEU A1004 4.560 20.614 6.227 1.00 0.00 O ATOM 1456 CB LEU A1004 6.402 18.533 7.421 1.00 0.00 C ATOM 1457 CG LEU A1004 7.099 18.198 8.749 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.742 19.219 9.816 1.00 0.00 C ATOM 1459 CD2 LEU A1004 6.760 16.789 9.213 1.00 0.00 C ATOM 0 H LEU A1004 4.897 16.511 7.181 1.00 0.00 H new ATOM 0 HA LEU A1004 4.558 19.084 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.703 17.791 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.773 19.498 7.075 1.00 0.00 H new ATOM 0 HG LEU A1004 8.175 18.240 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.246 18.963 10.748 1.00 0.00 H new ATOM 0 HD12 LEU A1004 7.060 20.210 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A1004 5.664 19.218 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A1004 7.269 16.584 10.155 1.00 0.00 H new ATOM 0 HD22 LEU A1004 5.683 16.702 9.356 1.00 0.00 H new ATOM 0 HD23 LEU A1004 7.085 16.070 8.461 1.00 0.00 H new ATOM 1471 N ALA A1005 3.701 18.765 5.311 1.00 0.00 N ATOM 1472 CA ALA A1005 3.218 19.508 4.161 1.00 0.00 C ATOM 1473 C ALA A1005 2.044 20.400 4.555 1.00 0.00 C ATOM 1474 O ALA A1005 1.930 21.500 4.056 1.00 0.00 O ATOM 1475 CB ALA A1005 2.854 18.591 3.008 1.00 0.00 C ATOM 0 H ALA A1005 3.489 17.767 5.309 1.00 0.00 H new ATOM 0 HA ALA A1005 4.030 20.146 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.497 19.187 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.733 18.023 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.070 17.903 3.324 1.00 0.00 H new ATOM 1481 N GLN A1006 1.168 19.932 5.436 1.00 0.00 N ATOM 1482 CA GLN A1006 0.097 20.790 5.975 1.00 0.00 C ATOM 1483 C GLN A1006 0.641 21.748 7.015 1.00 0.00 C ATOM 1484 O GLN A1006 0.134 22.868 7.123 1.00 0.00 O ATOM 1485 CB GLN A1006 -1.069 19.975 6.537 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.671 18.968 7.602 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.678 19.548 9.002 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.457 20.448 9.311 1.00 0.00 O ATOM 1489 NE2 GLN A1006 0.201 19.045 9.849 1.00 0.00 N ATOM 0 H GLN A1006 1.169 18.977 5.794 1.00 0.00 H new ATOM 0 HA GLN A1006 -0.294 21.374 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.806 20.659 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.556 19.446 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.354 18.119 7.564 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.325 18.586 7.378 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.828 18.299 9.550 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.253 19.403 10.803 1.00 0.00 H new ATOM 1498 N GLN A1007 1.682 21.345 7.738 1.00 0.00 N ATOM 1499 CA GLN A1007 2.330 22.245 8.688 1.00 0.00 C ATOM 1500 C GLN A1007 2.608 23.586 8.027 1.00 0.00 C ATOM 1501 O GLN A1007 2.260 24.643 8.551 1.00 0.00 O ATOM 1502 CB GLN A1007 3.629 21.633 9.219 1.00 0.00 C ATOM 1503 CG GLN A1007 3.414 20.455 10.151 1.00 0.00 C ATOM 1504 CD GLN A1007 2.856 20.864 11.501 1.00 0.00 C ATOM 1505 OE1 GLN A1007 2.103 21.831 11.622 1.00 0.00 O ATOM 1506 NE2 GLN A1007 3.240 20.132 12.528 1.00 0.00 N ATOM 0 H GLN A1007 2.092 20.412 7.686 1.00 0.00 H new ATOM 0 HA GLN A1007 1.658 22.399 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.239 21.310 8.375 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.194 22.402 9.745 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.732 19.746 9.681 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.361 19.936 10.297 1.00 0.00 H new ATOM 0 HE21 GLN A1007 3.865 19.339 12.384 1.00 0.00 H new ATOM 0 HE22 GLN A1007 2.912 20.359 13.467 1.00 0.00 H new ATOM 1515 N TYR A1008 3.205 23.546 6.850 1.00 0.00 N ATOM 1516 CA TYR A1008 3.322 24.747 6.055 1.00 0.00 C ATOM 1517 C TYR A1008 2.825 24.498 4.644 1.00 0.00 C ATOM 1518 O TYR A1008 3.542 24.699 3.666 1.00 0.00 O ATOM 1519 CB TYR A1008 4.747 25.307 6.072 1.00 0.00 C ATOM 1520 CG TYR A1008 5.090 25.988 7.380 1.00 0.00 C ATOM 1521 CD1 TYR A1008 4.838 27.341 7.561 1.00 0.00 C ATOM 1522 CD2 TYR A1008 5.638 25.275 8.441 1.00 0.00 C ATOM 1523 CE1 TYR A1008 5.122 27.967 8.759 1.00 0.00 C ATOM 1524 CE2 TYR A1008 5.929 25.894 9.641 1.00 0.00 C ATOM 1525 CZ TYR A1008 5.667 27.238 9.796 1.00 0.00 C ATOM 1526 OH TYR A1008 5.941 27.858 10.995 1.00 0.00 O ATOM 0 H TYR A1008 3.609 22.708 6.431 1.00 0.00 H new ATOM 0 HA TYR A1008 2.688 25.512 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.454 24.497 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A1008 4.863 26.019 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A1008 4.412 27.914 6.751 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.839 24.220 8.325 1.00 0.00 H new ATOM 0 HE1 TYR A1008 4.919 29.020 8.883 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.360 25.328 10.454 1.00 0.00 H new ATOM 0 HH TYR A1008 6.320 27.206 11.621 1.00 0.00 H new ATOM 1536 N VAL A1009 1.583 24.019 4.560 1.00 0.00 N ATOM 1537 CA VAL A1009 0.842 23.953 3.302 1.00 0.00 C ATOM 1538 C VAL A1009 0.763 25.329 2.682 1.00 0.00 C ATOM 1539 O VAL A1009 0.651 25.490 1.469 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.584 23.404 3.528 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -1.281 24.219 4.599 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -1.396 23.421 2.241 1.00 0.00 C ATOM 0 H VAL A1009 1.063 23.666 5.363 1.00 0.00 H new ATOM 0 HA VAL A1009 1.370 23.277 2.630 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.503 22.367 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -2.287 23.829 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.717 24.155 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.341 25.260 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.394 23.028 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.474 24.444 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.902 22.803 1.491 1.00 0.00 H new ATOM 1552 N MET A1010 0.855 26.321 3.532 1.00 0.00 N ATOM 1553 CA MET A1010 0.871 27.696 3.088 1.00 0.00 C ATOM 1554 C MET A1010 2.215 28.053 2.452 1.00 0.00 C ATOM 1555 O MET A1010 2.418 29.196 2.051 1.00 0.00 O ATOM 1556 CB MET A1010 0.583 28.626 4.268 1.00 0.00 C ATOM 1557 CG MET A1010 -0.781 28.396 4.897 1.00 0.00 C ATOM 1558 SD MET A1010 -1.012 29.324 6.424 1.00 0.00 S ATOM 1559 CE MET A1010 -2.707 28.898 6.830 1.00 0.00 C ATOM 0 H MET A1010 0.920 26.202 4.543 1.00 0.00 H new ATOM 0 HA MET A1010 0.096 27.822 2.332 1.00 0.00 H new ATOM 0 HB2 MET A1010 1.353 28.488 5.027 1.00 0.00 H new ATOM 0 HB3 MET A1010 0.650 29.660 3.931 1.00 0.00 H new ATOM 0 HG2 MET A1010 -1.556 28.678 4.185 1.00 0.00 H new ATOM 0 HG3 MET A1010 -0.907 27.333 5.101 1.00 0.00 H new ATOM 0 HE1 MET A1010 -2.996 29.398 7.754 1.00 0.00 H new ATOM 0 HE2 MET A1010 -3.366 29.218 6.023 1.00 0.00 H new ATOM 0 HE3 MET A1010 -2.790 27.819 6.960 1.00 0.00 H new ATOM 1569 N THR A1011 3.145 27.089 2.367 1.00 0.00 N ATOM 1570 CA THR A1011 4.475 27.391 1.842 1.00 0.00 C ATOM 1571 C THR A1011 5.179 26.179 1.161 1.00 0.00 C ATOM 1572 O THR A1011 4.545 25.216 0.654 1.00 0.00 O ATOM 1573 CB THR A1011 5.381 27.941 2.977 1.00 0.00 C ATOM 1574 OG1 THR A1011 4.582 28.545 4.008 1.00 0.00 O ATOM 1575 CG2 THR A1011 6.353 28.985 2.443 1.00 0.00 C ATOM 0 H THR A1011 3.002 26.119 2.648 1.00 0.00 H new ATOM 0 HA THR A1011 4.326 28.141 1.065 1.00 0.00 H new ATOM 0 HB THR A1011 5.942 27.100 3.385 1.00 0.00 H new ATOM 0 HG1 THR A1011 5.166 28.886 4.717 1.00 0.00 H new ATOM 0 HG21 THR A1011 6.975 29.354 3.258 1.00 0.00 H new ATOM 0 HG22 THR A1011 6.986 28.535 1.678 1.00 0.00 H new ATOM 0 HG23 THR A1011 5.794 29.814 2.010 1.00 0.00 H new ATOM 1583 N SER A1012 6.510 26.257 1.162 1.00 0.00 N ATOM 1584 CA SER A1012 7.368 25.350 0.425 1.00 0.00 C ATOM 1585 C SER A1012 7.171 23.902 0.840 1.00 0.00 C ATOM 1586 O SER A1012 7.121 23.027 -0.030 1.00 0.00 O ATOM 1587 CB SER A1012 8.828 25.757 0.618 1.00 0.00 C ATOM 1588 OG SER A1012 9.015 27.136 0.337 1.00 0.00 O ATOM 0 H SER A1012 7.023 26.966 1.686 1.00 0.00 H new ATOM 0 HA SER A1012 7.096 25.421 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.135 25.546 1.642 1.00 0.00 H new ATOM 0 HB3 SER A1012 9.465 25.160 -0.035 1.00 0.00 H new ATOM 0 HG SER A1012 9.957 27.372 0.469 1.00 0.00 H new ATOM 1594 N LEU A1013 7.078 23.627 2.155 1.00 0.00 N ATOM 1595 CA LEU A1013 6.860 22.262 2.616 1.00 0.00 C ATOM 1596 C LEU A1013 5.737 21.620 1.868 1.00 0.00 C ATOM 1597 O LEU A1013 5.853 20.483 1.458 1.00 0.00 O ATOM 1598 CB LEU A1013 6.494 22.182 4.099 1.00 0.00 C ATOM 1599 CG LEU A1013 7.322 23.055 5.048 1.00 0.00 C ATOM 1600 CD1 LEU A1013 6.986 22.727 6.494 1.00 0.00 C ATOM 1601 CD2 LEU A1013 8.812 22.864 4.800 1.00 0.00 C ATOM 0 H LEU A1013 7.150 24.324 2.896 1.00 0.00 H new ATOM 0 HA LEU A1013 7.807 21.750 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.445 22.457 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.587 21.144 4.419 1.00 0.00 H new ATOM 0 HG LEU A1013 7.073 24.098 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A1013 7.581 23.354 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A1013 5.927 22.913 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A1013 7.208 21.678 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.379 23.494 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A1013 9.077 21.820 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A1013 9.048 23.142 3.773 1.00 0.00 H new ATOM 1613 N GLN A1014 4.662 22.361 1.672 1.00 0.00 N ATOM 1614 CA GLN A1014 3.463 21.775 1.128 1.00 0.00 C ATOM 1615 C GLN A1014 3.777 21.087 -0.174 1.00 0.00 C ATOM 1616 O GLN A1014 3.504 19.905 -0.357 1.00 0.00 O ATOM 1617 CB GLN A1014 2.411 22.829 0.873 1.00 0.00 C ATOM 1618 CG GLN A1014 1.247 22.312 0.042 1.00 0.00 C ATOM 1619 CD GLN A1014 0.763 23.316 -0.980 1.00 0.00 C ATOM 1620 OE1 GLN A1014 1.690 24.053 -1.569 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 -0.427 23.395 -1.275 1.00 0.00 N flip ATOM 0 H GLN A1014 4.599 23.358 1.880 1.00 0.00 H new ATOM 0 HA GLN A1014 3.082 21.058 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.035 23.198 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.868 23.676 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.549 21.398 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.422 22.049 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -1.111 22.809 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -0.731 24.047 -1.998 1.00 0.00 H new ATOM 1630 N GLN A1015 4.387 21.861 -1.069 1.00 0.00 N ATOM 1631 CA GLN A1015 4.653 21.375 -2.420 1.00 0.00 C ATOM 1632 C GLN A1015 5.686 20.239 -2.398 1.00 0.00 C ATOM 1633 O GLN A1015 5.496 19.207 -3.040 1.00 0.00 O ATOM 1634 CB GLN A1015 5.128 22.521 -3.321 1.00 0.00 C ATOM 1635 CG GLN A1015 4.302 23.787 -3.170 1.00 0.00 C ATOM 1636 CD GLN A1015 4.783 24.929 -4.042 1.00 0.00 C ATOM 1637 OE1 GLN A1015 5.964 25.015 -4.385 1.00 0.00 O ATOM 1638 NE2 GLN A1015 3.876 25.834 -4.378 1.00 0.00 N ATOM 0 H GLN A1015 4.702 22.814 -0.887 1.00 0.00 H new ATOM 0 HA GLN A1015 3.723 20.979 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A1015 6.170 22.746 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A1015 5.093 22.195 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A1015 3.263 23.565 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A1015 4.323 24.103 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A1015 2.909 25.724 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A1015 4.145 26.640 -4.942 1.00 0.00 H new ATOM 1647 N GLU A1016 6.755 20.427 -1.631 1.00 0.00 N ATOM 1648 CA GLU A1016 7.822 19.427 -1.503 1.00 0.00 C ATOM 1649 C GLU A1016 7.326 18.152 -0.823 1.00 0.00 C ATOM 1650 O GLU A1016 7.418 17.052 -1.377 1.00 0.00 O ATOM 1651 CB GLU A1016 8.970 20.009 -0.673 1.00 0.00 C ATOM 1652 CG GLU A1016 10.035 18.985 -0.318 1.00 0.00 C ATOM 1653 CD GLU A1016 11.031 19.507 0.689 1.00 0.00 C ATOM 1654 OE1 GLU A1016 10.753 19.434 1.903 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.106 19.988 0.273 1.00 0.00 O ATOM 0 H GLU A1016 6.911 21.272 -1.081 1.00 0.00 H new ATOM 0 HA GLU A1016 8.159 19.174 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.432 20.826 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A1016 8.566 20.435 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A1016 9.555 18.091 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.563 18.686 -1.224 1.00 0.00 H new ATOM 1662 N TYR A1017 6.786 18.329 0.364 1.00 0.00 N ATOM 1663 CA TYR A1017 6.392 17.249 1.243 1.00 0.00 C ATOM 1664 C TYR A1017 5.312 16.363 0.652 1.00 0.00 C ATOM 1665 O TYR A1017 5.274 15.171 0.899 1.00 0.00 O ATOM 1666 CB TYR A1017 5.884 17.867 2.535 1.00 0.00 C ATOM 1667 CG TYR A1017 7.007 17.988 3.549 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.459 16.870 4.241 1.00 0.00 C ATOM 1669 CD2 TYR A1017 7.636 19.199 3.790 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.497 16.961 5.145 1.00 0.00 C ATOM 1671 CE2 TYR A1017 8.678 19.298 4.690 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.104 18.177 5.365 1.00 0.00 C ATOM 1673 OH TYR A1017 10.143 18.267 6.262 1.00 0.00 O ATOM 0 H TYR A1017 6.604 19.253 0.755 1.00 0.00 H new ATOM 0 HA TYR A1017 7.260 16.611 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.463 18.852 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.081 17.255 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A1017 6.989 15.913 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.305 20.082 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A1017 8.832 16.083 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.157 20.251 4.864 1.00 0.00 H new ATOM 0 HH TYR A1017 10.462 19.193 6.301 1.00 0.00 H new ATOM 1683 N LYS A1018 4.417 16.999 -0.118 1.00 0.00 N ATOM 1684 CA LYS A1018 3.259 16.343 -0.724 1.00 0.00 C ATOM 1685 C LYS A1018 3.662 15.599 -1.990 1.00 0.00 C ATOM 1686 O LYS A1018 3.065 14.584 -2.340 1.00 0.00 O ATOM 1687 CB LYS A1018 2.168 17.373 -1.049 1.00 0.00 C ATOM 1688 CG LYS A1018 0.911 16.788 -1.687 1.00 0.00 C ATOM 1689 CD LYS A1018 0.065 16.007 -0.689 1.00 0.00 C ATOM 1690 CE LYS A1018 -1.210 15.479 -1.339 1.00 0.00 C ATOM 1691 NZ LYS A1018 -2.103 14.786 -0.368 1.00 0.00 N ATOM 0 H LYS A1018 4.481 17.993 -0.337 1.00 0.00 H new ATOM 0 HA LYS A1018 2.864 15.623 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.887 17.887 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.584 18.124 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.314 17.594 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.196 16.132 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.645 15.174 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.192 16.649 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -1.750 16.308 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.946 14.789 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.885 14.330 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.561 14.065 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.487 15.479 0.306 1.00 0.00 H new ATOM 1705 N LYS A1019 4.673 16.107 -2.679 1.00 0.00 N ATOM 1706 CA LYS A1019 5.205 15.414 -3.840 1.00 0.00 C ATOM 1707 C LYS A1019 5.986 14.208 -3.367 1.00 0.00 C ATOM 1708 O LYS A1019 5.780 13.095 -3.832 1.00 0.00 O ATOM 1709 CB LYS A1019 6.080 16.341 -4.682 1.00 0.00 C ATOM 1710 CG LYS A1019 5.371 16.870 -5.916 1.00 0.00 C ATOM 1711 CD LYS A1019 4.090 17.609 -5.559 1.00 0.00 C ATOM 1712 CE LYS A1019 3.255 17.898 -6.797 1.00 0.00 C ATOM 1713 NZ LYS A1019 4.029 18.621 -7.841 1.00 0.00 N ATOM 0 H LYS A1019 5.137 16.988 -2.457 1.00 0.00 H new ATOM 0 HA LYS A1019 4.383 15.088 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.404 17.181 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A1019 6.978 15.804 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.038 17.540 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.138 16.041 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.508 17.013 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.335 18.545 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.882 16.960 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.385 18.492 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.386 18.930 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.491 19.451 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.752 17.988 -8.238 1.00 0.00 H new ATOM 1727 N GLN A1020 6.866 14.452 -2.418 1.00 0.00 N ATOM 1728 CA GLN A1020 7.482 13.408 -1.617 1.00 0.00 C ATOM 1729 C GLN A1020 6.415 12.532 -0.952 1.00 0.00 C ATOM 1730 O GLN A1020 6.635 11.339 -0.747 1.00 0.00 O ATOM 1731 CB GLN A1020 8.376 14.075 -0.570 1.00 0.00 C ATOM 1732 CG GLN A1020 9.200 13.110 0.258 1.00 0.00 C ATOM 1733 CD GLN A1020 10.261 13.813 1.086 1.00 0.00 C ATOM 1734 OE1 GLN A1020 9.991 15.052 1.477 1.00 0.00 O flip ATOM 1735 NE2 GLN A1020 11.315 13.248 1.368 1.00 0.00 N flip ATOM 0 H GLN A1020 7.179 15.392 -2.176 1.00 0.00 H new ATOM 0 HA GLN A1020 8.082 12.756 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.049 14.768 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.751 14.667 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.540 12.549 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.679 12.387 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A1020 11.484 12.294 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A1020 12.021 13.733 1.922 1.00 0.00 H new ATOM 1744 N MET A1021 5.261 13.105 -0.643 1.00 0.00 N ATOM 1745 CA MET A1021 4.158 12.330 -0.089 1.00 0.00 C ATOM 1746 C MET A1021 3.601 11.390 -1.137 1.00 0.00 C ATOM 1747 O MET A1021 3.421 10.211 -0.871 1.00 0.00 O ATOM 1748 CB MET A1021 3.034 13.232 0.438 1.00 0.00 C ATOM 1749 CG MET A1021 1.960 12.484 1.214 1.00 0.00 C ATOM 1750 SD MET A1021 0.283 12.869 0.659 1.00 0.00 S ATOM 1751 CE MET A1021 0.213 11.978 -0.895 1.00 0.00 C ATOM 0 H MET A1021 5.063 14.098 -0.765 1.00 0.00 H new ATOM 0 HA MET A1021 4.553 11.756 0.749 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.467 13.998 1.081 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.569 13.747 -0.403 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.131 11.412 1.117 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.050 12.727 2.273 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.825 11.881 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.775 12.524 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.647 10.986 -0.766 1.00 0.00 H new ATOM 1761 N LEU A1022 3.337 11.899 -2.341 1.00 0.00 N ATOM 1762 CA LEU A1022 2.741 11.060 -3.365 1.00 0.00 C ATOM 1763 C LEU A1022 3.808 10.176 -4.000 1.00 0.00 C ATOM 1764 O LEU A1022 3.503 9.253 -4.730 1.00 0.00 O ATOM 1765 CB LEU A1022 1.989 11.892 -4.427 1.00 0.00 C ATOM 1766 CG LEU A1022 2.443 11.670 -5.878 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.285 11.851 -6.841 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.575 12.623 -6.238 1.00 0.00 C ATOM 0 H LEU A1022 3.522 12.862 -2.621 1.00 0.00 H new ATOM 0 HA LEU A1022 1.997 10.420 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.926 11.663 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.104 12.949 -4.185 1.00 0.00 H new ATOM 0 HG LEU A1022 2.806 10.646 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A1022 1.632 11.689 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.500 11.132 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A1022 0.890 12.863 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A1022 3.882 12.450 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.233 13.652 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.421 12.450 -5.573 1.00 0.00 H new ATOM 1780 N THR A1023 5.071 10.483 -3.722 1.00 0.00 N ATOM 1781 CA THR A1023 6.179 9.659 -4.179 1.00 0.00 C ATOM 1782 C THR A1023 6.412 8.508 -3.207 1.00 0.00 C ATOM 1783 O THR A1023 6.741 7.401 -3.619 1.00 0.00 O ATOM 1784 CB THR A1023 7.473 10.484 -4.348 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.267 11.512 -5.326 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.640 9.607 -4.782 1.00 0.00 C ATOM 0 H THR A1023 5.351 11.300 -3.180 1.00 0.00 H new ATOM 0 HA THR A1023 5.913 9.258 -5.157 1.00 0.00 H new ATOM 0 HB THR A1023 7.716 10.927 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A1023 6.521 12.083 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.535 10.220 -4.891 1.00 0.00 H new ATOM 0 HG22 THR A1023 8.817 8.838 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.405 9.134 -5.736 1.00 0.00 H new ATOM 1794 N ALA A1024 6.224 8.768 -1.917 1.00 0.00 N ATOM 1795 CA ALA A1024 6.245 7.708 -0.919 1.00 0.00 C ATOM 1796 C ALA A1024 4.917 6.969 -0.939 1.00 0.00 C ATOM 1797 O ALA A1024 4.818 5.838 -0.487 1.00 0.00 O ATOM 1798 CB ALA A1024 6.545 8.261 0.466 1.00 0.00 C ATOM 0 H ALA A1024 6.056 9.701 -1.540 1.00 0.00 H new ATOM 0 HA ALA A1024 7.044 7.008 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.554 7.446 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.519 8.751 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.778 8.984 0.743 1.00 0.00 H new ATOM 1804 N ALA A1025 3.896 7.633 -1.447 1.00 0.00 N ATOM 1805 CA ALA A1025 2.627 6.991 -1.749 1.00 0.00 C ATOM 1806 C ALA A1025 2.684 6.355 -3.134 1.00 0.00 C ATOM 1807 O ALA A1025 1.900 5.465 -3.431 1.00 0.00 O ATOM 1808 CB ALA A1025 1.459 7.954 -1.621 1.00 0.00 C ATOM 0 H ALA A1025 3.921 8.630 -1.662 1.00 0.00 H new ATOM 0 HA ALA A1025 2.458 6.205 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.531 7.433 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.413 8.337 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.594 8.784 -2.314 1.00 0.00 H new ATOM 1814 N HIS A1026 3.585 6.818 -3.990 1.00 0.00 N ATOM 1815 CA HIS A1026 3.916 6.071 -5.204 1.00 0.00 C ATOM 1816 C HIS A1026 4.805 4.896 -4.821 1.00 0.00 C ATOM 1817 O HIS A1026 4.799 3.874 -5.482 1.00 0.00 O ATOM 1818 CB HIS A1026 4.587 6.967 -6.261 1.00 0.00 C ATOM 1819 CG HIS A1026 4.738 6.335 -7.615 1.00 0.00 C ATOM 1820 ND1 HIS A1026 4.036 6.757 -8.724 1.00 0.00 N ATOM 1821 CD2 HIS A1026 5.540 5.332 -8.042 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.392 6.034 -9.769 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.304 5.164 -9.382 1.00 0.00 N ATOM 0 H HIS A1026 4.095 7.694 -3.873 1.00 0.00 H new ATOM 0 HA HIS A1026 2.998 5.700 -5.660 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.004 7.882 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.573 7.257 -5.898 1.00 0.00 H new ATOM 0 HD2 HIS A1026 6.237 4.769 -7.439 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.002 6.137 -10.771 1.00 0.00 H new ATOM 0 HE2 HIS A1026 5.760 4.477 -9.982 1.00 0.00 H new ATOM 1832 N ALA A1027 5.542 5.045 -3.733 1.00 0.00 N ATOM 1833 CA ALA A1027 6.181 3.931 -3.037 1.00 0.00 C ATOM 1834 C ALA A1027 5.135 3.065 -2.373 1.00 0.00 C ATOM 1835 O ALA A1027 5.252 1.849 -2.400 1.00 0.00 O ATOM 1836 CB ALA A1027 7.154 4.458 -1.998 1.00 0.00 C ATOM 0 H ALA A1027 5.718 5.952 -3.300 1.00 0.00 H new ATOM 0 HA ALA A1027 6.728 3.329 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.626 3.621 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.919 5.060 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.617 5.072 -1.275 1.00 0.00 H new ATOM 1842 N LEU A1028 4.116 3.659 -1.792 1.00 0.00 N ATOM 1843 CA LEU A1028 2.983 2.881 -1.323 1.00 0.00 C ATOM 1844 C LEU A1028 2.330 2.168 -2.500 1.00 0.00 C ATOM 1845 O LEU A1028 2.013 0.993 -2.408 1.00 0.00 O ATOM 1846 CB LEU A1028 1.970 3.757 -0.586 1.00 0.00 C ATOM 1847 CG LEU A1028 2.465 4.362 0.724 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.302 4.968 1.479 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.149 3.296 1.555 1.00 0.00 C ATOM 0 H LEU A1028 4.045 4.664 -1.633 1.00 0.00 H new ATOM 0 HA LEU A1028 3.344 2.138 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.664 4.567 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.081 3.161 -0.379 1.00 0.00 H new ATOM 0 HG LEU A1028 3.187 5.150 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.660 5.399 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.842 5.748 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.565 4.194 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.501 3.733 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.442 2.495 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.997 2.892 1.002 1.00 0.00 H new ATOM 1861 N ALA A1029 2.142 2.876 -3.604 1.00 0.00 N ATOM 1862 CA ALA A1029 1.661 2.263 -4.838 1.00 0.00 C ATOM 1863 C ALA A1029 2.600 1.157 -5.316 1.00 0.00 C ATOM 1864 O ALA A1029 2.148 0.110 -5.780 1.00 0.00 O ATOM 1865 CB ALA A1029 1.498 3.317 -5.925 1.00 0.00 C ATOM 0 H ALA A1029 2.315 3.879 -3.673 1.00 0.00 H new ATOM 0 HA ALA A1029 0.691 1.813 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.139 2.844 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.779 4.068 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.459 3.794 -6.117 1.00 0.00 H new ATOM 1871 N VAL A1030 3.906 1.392 -5.200 1.00 0.00 N ATOM 1872 CA VAL A1030 4.892 0.420 -5.647 1.00 0.00 C ATOM 1873 C VAL A1030 4.867 -0.805 -4.746 1.00 0.00 C ATOM 1874 O VAL A1030 4.844 -1.945 -5.206 1.00 0.00 O ATOM 1875 CB VAL A1030 6.323 1.025 -5.660 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.390 -0.061 -5.645 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.514 1.904 -6.884 1.00 0.00 C ATOM 0 H VAL A1030 4.301 2.244 -4.802 1.00 0.00 H new ATOM 0 HA VAL A1030 4.633 0.132 -6.666 1.00 0.00 H new ATOM 0 HB VAL A1030 6.431 1.626 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.378 0.399 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.281 -0.666 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.276 -0.695 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.521 2.321 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.372 1.308 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.786 2.715 -6.867 1.00 0.00 H new ATOM 1887 N ASP A1031 4.849 -0.529 -3.448 1.00 0.00 N ATOM 1888 CA ASP A1031 4.932 -1.552 -2.419 1.00 0.00 C ATOM 1889 C ASP A1031 3.639 -2.338 -2.358 1.00 0.00 C ATOM 1890 O ASP A1031 3.655 -3.553 -2.277 1.00 0.00 O ATOM 1891 CB ASP A1031 5.200 -0.898 -1.065 1.00 0.00 C ATOM 1892 CG ASP A1031 5.856 -1.832 -0.084 1.00 0.00 C ATOM 1893 OD1 ASP A1031 5.229 -2.827 0.319 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.021 -1.566 0.274 1.00 0.00 O ATOM 0 H ASP A1031 4.776 0.419 -3.079 1.00 0.00 H new ATOM 0 HA ASP A1031 5.748 -2.232 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.836 -0.024 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.259 -0.542 -0.646 1.00 0.00 H new ATOM 1899 N ALA A1032 2.520 -1.635 -2.442 1.00 0.00 N ATOM 1900 CA ALA A1032 1.213 -2.272 -2.519 1.00 0.00 C ATOM 1901 C ALA A1032 1.142 -3.158 -3.750 1.00 0.00 C ATOM 1902 O ALA A1032 0.568 -4.238 -3.691 1.00 0.00 O ATOM 1903 CB ALA A1032 0.093 -1.243 -2.524 1.00 0.00 C ATOM 0 H ALA A1032 2.491 -0.616 -2.459 1.00 0.00 H new ATOM 0 HA ALA A1032 1.079 -2.891 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.869 -1.752 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.136 -0.653 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.208 -0.585 -3.385 1.00 0.00 H new ATOM 1909 N LYS A1033 1.761 -2.740 -4.842 1.00 0.00 N ATOM 1910 CA LYS A1033 1.865 -3.601 -6.009 1.00 0.00 C ATOM 1911 C LYS A1033 2.744 -4.810 -5.690 1.00 0.00 C ATOM 1912 O LYS A1033 2.337 -5.961 -5.840 1.00 0.00 O ATOM 1913 CB LYS A1033 2.486 -2.849 -7.184 1.00 0.00 C ATOM 1914 CG LYS A1033 2.552 -3.697 -8.445 1.00 0.00 C ATOM 1915 CD LYS A1033 3.517 -3.120 -9.467 1.00 0.00 C ATOM 1916 CE LYS A1033 3.768 -4.101 -10.602 1.00 0.00 C ATOM 1917 NZ LYS A1033 4.234 -5.421 -10.097 1.00 0.00 N ATOM 0 H LYS A1033 2.194 -1.822 -4.945 1.00 0.00 H new ATOM 0 HA LYS A1033 0.859 -3.925 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.904 -1.949 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.491 -2.525 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.861 -4.710 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.558 -3.770 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.113 -2.191 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.461 -2.873 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A1033 2.852 -4.234 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.513 -3.688 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 4.754 -5.917 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 4.861 -5.278 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 3.414 -5.992 -9.809 1.00 0.00 H new ATOM 1931 N ASN A1034 3.954 -4.508 -5.229 1.00 0.00 N ATOM 1932 CA ASN A1034 5.000 -5.503 -5.010 1.00 0.00 C ATOM 1933 C ASN A1034 4.639 -6.497 -3.922 1.00 0.00 C ATOM 1934 O ASN A1034 4.778 -7.698 -4.114 1.00 0.00 O ATOM 1935 CB ASN A1034 6.314 -4.801 -4.657 1.00 0.00 C ATOM 1936 CG ASN A1034 7.417 -5.766 -4.265 1.00 0.00 C ATOM 1937 OD1 ASN A1034 8.094 -6.335 -5.120 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.623 -5.935 -2.966 1.00 0.00 N ATOM 0 H ASN A1034 4.239 -3.557 -4.995 1.00 0.00 H new ATOM 0 HA ASN A1034 5.112 -6.066 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.644 -4.209 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A1034 6.139 -4.106 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.366 -6.556 -2.644 1.00 0.00 H new ATOM 0 HD22 ASN A1034 7.039 -5.444 -2.289 1.00 0.00 H new ATOM 1945 N LEU A1035 4.189 -6.001 -2.780 1.00 0.00 N ATOM 1946 CA LEU A1035 3.891 -6.860 -1.654 1.00 0.00 C ATOM 1947 C LEU A1035 2.745 -7.803 -2.003 1.00 0.00 C ATOM 1948 O LEU A1035 2.798 -8.976 -1.642 1.00 0.00 O ATOM 1949 CB LEU A1035 3.603 -6.051 -0.378 1.00 0.00 C ATOM 1950 CG LEU A1035 2.203 -5.436 -0.250 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.222 -6.424 0.373 1.00 0.00 C ATOM 1952 CD2 LEU A1035 2.264 -4.171 0.579 1.00 0.00 C ATOM 0 H LEU A1035 4.024 -5.009 -2.612 1.00 0.00 H new ATOM 0 HA LEU A1035 4.773 -7.463 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.768 -6.701 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A1035 4.335 -5.246 -0.314 1.00 0.00 H new ATOM 0 HG LEU A1035 1.848 -5.192 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.239 -5.960 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.155 -7.314 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.570 -6.705 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.265 -3.743 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.644 -4.406 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A1035 2.927 -3.452 0.098 1.00 0.00 H new ATOM 1964 N LEU A1036 1.709 -7.328 -2.702 1.00 0.00 N ATOM 1965 CA LEU A1036 0.633 -8.257 -3.012 1.00 0.00 C ATOM 1966 C LEU A1036 1.115 -9.274 -4.052 1.00 0.00 C ATOM 1967 O LEU A1036 0.716 -10.433 -4.042 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.673 -7.544 -3.427 1.00 0.00 C ATOM 1969 CG LEU A1036 -0.666 -6.772 -4.760 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -0.821 -7.709 -5.948 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -1.776 -5.731 -4.778 1.00 0.00 C ATOM 0 H LEU A1036 1.598 -6.373 -3.041 1.00 0.00 H new ATOM 0 HA LEU A1036 0.374 -8.798 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.465 -8.292 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -0.942 -6.846 -2.635 1.00 0.00 H new ATOM 0 HG LEU A1036 0.299 -6.272 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -0.812 -7.130 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A1036 0.003 -8.422 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -1.766 -8.247 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.757 -5.195 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -2.740 -6.225 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.627 -5.026 -3.960 1.00 0.00 H new ATOM 1983 N ASP A1037 1.992 -8.793 -4.946 1.00 0.00 N ATOM 1984 CA ASP A1037 2.678 -9.626 -5.943 1.00 0.00 C ATOM 1985 C ASP A1037 3.468 -10.719 -5.240 1.00 0.00 C ATOM 1986 O ASP A1037 3.465 -11.884 -5.630 1.00 0.00 O ATOM 1987 CB ASP A1037 3.644 -8.747 -6.743 1.00 0.00 C ATOM 1988 CG ASP A1037 4.317 -9.475 -7.888 1.00 0.00 C ATOM 1989 OD1 ASP A1037 5.401 -10.055 -7.669 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.783 -9.435 -9.020 1.00 0.00 O ATOM 0 H ASP A1037 2.247 -7.807 -4.997 1.00 0.00 H new ATOM 0 HA ASP A1037 1.943 -10.080 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A1037 3.100 -7.889 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A1037 4.409 -8.357 -6.071 1.00 0.00 H new ATOM 1995 N VAL A1038 4.150 -10.291 -4.190 1.00 0.00 N ATOM 1996 CA VAL A1038 4.883 -11.165 -3.288 1.00 0.00 C ATOM 1997 C VAL A1038 3.983 -12.253 -2.721 1.00 0.00 C ATOM 1998 O VAL A1038 4.405 -13.399 -2.602 1.00 0.00 O ATOM 1999 CB VAL A1038 5.541 -10.342 -2.146 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.975 -11.227 -0.988 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.737 -9.571 -2.676 1.00 0.00 C ATOM 0 H VAL A1038 4.211 -9.305 -3.935 1.00 0.00 H new ATOM 0 HA VAL A1038 5.672 -11.653 -3.860 1.00 0.00 H new ATOM 0 HB VAL A1038 4.791 -9.645 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A1038 6.430 -10.613 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A1038 5.107 -11.744 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.700 -11.960 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A1038 7.189 -8.999 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A1038 7.470 -10.269 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A1038 6.412 -8.891 -3.463 1.00 0.00 H new ATOM 2011 N ILE A1039 2.749 -11.915 -2.394 1.00 0.00 N ATOM 2012 CA ILE A1039 1.807 -12.915 -1.909 1.00 0.00 C ATOM 2013 C ILE A1039 1.201 -13.704 -3.053 1.00 0.00 C ATOM 2014 O ILE A1039 0.944 -14.895 -2.905 1.00 0.00 O ATOM 2015 CB ILE A1039 0.714 -12.318 -0.993 1.00 0.00 C ATOM 2016 CG1 ILE A1039 1.271 -12.176 0.413 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.550 -13.172 -0.978 1.00 0.00 C ATOM 2018 CD1 ILE A1039 2.202 -11.005 0.591 1.00 0.00 C ATOM 0 H ILE A1039 2.376 -10.968 -2.453 1.00 0.00 H new ATOM 0 HA ILE A1039 2.382 -13.605 -1.291 1.00 0.00 H new ATOM 0 HB ILE A1039 0.433 -11.341 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.441 -12.076 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.801 -13.091 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.290 -12.715 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -0.954 -13.242 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.310 -14.171 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.555 -10.975 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A1039 3.053 -11.111 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.672 -10.081 0.362 1.00 0.00 H new ATOM 2030 N ASP A1040 1.013 -13.069 -4.188 1.00 0.00 N ATOM 2031 CA ASP A1040 0.624 -13.784 -5.394 1.00 0.00 C ATOM 2032 C ASP A1040 1.636 -14.889 -5.679 1.00 0.00 C ATOM 2033 O ASP A1040 1.277 -16.035 -5.968 1.00 0.00 O ATOM 2034 CB ASP A1040 0.546 -12.820 -6.572 1.00 0.00 C ATOM 2035 CG ASP A1040 -0.826 -12.775 -7.208 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -1.652 -13.666 -6.930 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -1.064 -11.862 -8.026 1.00 0.00 O ATOM 0 H ASP A1040 1.121 -12.062 -4.307 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.360 -14.231 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.817 -11.820 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.279 -13.113 -7.323 1.00 0.00 H new ATOM 2042 N GLN A1041 2.901 -14.542 -5.549 1.00 0.00 N ATOM 2043 CA GLN A1041 3.979 -15.497 -5.662 1.00 0.00 C ATOM 2044 C GLN A1041 3.974 -16.434 -4.463 1.00 0.00 C ATOM 2045 O GLN A1041 4.180 -17.624 -4.608 1.00 0.00 O ATOM 2046 CB GLN A1041 5.308 -14.758 -5.752 1.00 0.00 C ATOM 2047 CG GLN A1041 5.551 -14.114 -7.108 1.00 0.00 C ATOM 2048 CD GLN A1041 6.850 -13.331 -7.191 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.197 -12.618 -6.132 1.00 0.00 O flip ATOM 2050 NE2 GLN A1041 7.509 -13.320 -8.230 1.00 0.00 N flip ATOM 0 H GLN A1041 3.208 -13.588 -5.362 1.00 0.00 H new ATOM 0 HA GLN A1041 3.841 -16.091 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A1041 5.340 -13.988 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A1041 6.118 -15.455 -5.539 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.556 -14.891 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.720 -13.447 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A1041 7.213 -13.882 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A1041 8.352 -12.749 -8.293 1.00 0.00 H new ATOM 2059 N ALA A1042 3.694 -15.879 -3.291 1.00 0.00 N ATOM 2060 CA ALA A1042 3.699 -16.615 -2.033 1.00 0.00 C ATOM 2061 C ALA A1042 2.790 -17.828 -2.047 1.00 0.00 C ATOM 2062 O ALA A1042 3.205 -18.935 -1.704 1.00 0.00 O ATOM 2063 CB ALA A1042 3.239 -15.697 -0.932 1.00 0.00 C ATOM 0 H ALA A1042 3.454 -14.893 -3.186 1.00 0.00 H new ATOM 0 HA ALA A1042 4.718 -16.968 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.238 -16.237 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.914 -14.844 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A1042 2.231 -15.345 -1.149 1.00 0.00 H new ATOM 2069 N ARG A1043 1.543 -17.613 -2.420 1.00 0.00 N ATOM 2070 CA ARG A1043 0.551 -18.672 -2.403 1.00 0.00 C ATOM 2071 C ARG A1043 0.925 -19.725 -3.435 1.00 0.00 C ATOM 2072 O ARG A1043 0.844 -20.917 -3.171 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.835 -18.083 -2.677 1.00 0.00 C ATOM 2074 CG ARG A1043 -0.781 -17.004 -3.731 1.00 0.00 C ATOM 2075 CD ARG A1043 -1.942 -16.020 -3.631 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.247 -16.656 -3.801 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.370 -15.989 -4.079 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -4.343 -14.669 -4.251 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -5.517 -16.650 -4.195 1.00 0.00 N ATOM 0 H ARG A1043 1.191 -16.711 -2.740 1.00 0.00 H new ATOM 0 HA ARG A1043 0.524 -19.148 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.510 -18.875 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.245 -17.671 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A1043 0.159 -16.460 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.787 -17.466 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -1.909 -15.525 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -1.820 -15.245 -4.388 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.303 -17.670 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -3.462 -14.162 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.204 -14.165 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.537 -17.662 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -6.377 -16.145 -4.407 1.00 0.00 H new ATOM 2093 N LEU A1044 1.378 -19.266 -4.598 1.00 0.00 N ATOM 2094 CA LEU A1044 1.887 -20.162 -5.626 1.00 0.00 C ATOM 2095 C LEU A1044 3.103 -20.918 -5.100 1.00 0.00 C ATOM 2096 O LEU A1044 3.230 -22.122 -5.282 1.00 0.00 O ATOM 2097 CB LEU A1044 2.272 -19.357 -6.874 1.00 0.00 C ATOM 2098 CG LEU A1044 2.846 -20.172 -8.038 1.00 0.00 C ATOM 2099 CD1 LEU A1044 1.773 -21.046 -8.665 1.00 0.00 C ATOM 2100 CD2 LEU A1044 3.464 -19.252 -9.080 1.00 0.00 C ATOM 0 H LEU A1044 1.402 -18.278 -4.850 1.00 0.00 H new ATOM 0 HA LEU A1044 1.110 -20.879 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.389 -18.825 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.005 -18.603 -6.586 1.00 0.00 H new ATOM 0 HG LEU A1044 3.628 -20.823 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A1044 2.203 -21.615 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU A1044 1.379 -21.733 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.966 -20.418 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A1044 3.866 -19.848 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.702 -18.574 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A1044 4.267 -18.673 -8.624 1.00 0.00 H new