USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=28 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: A1011 THR OG1 : rot 180:sc= 0.0356 USER MOD Set 1.2: A1012 SER OG : rot 180:sc= 0.00299 USER MOD Set 2.1: A1001 LYS NZ :NH3+ -161:sc= 1.85 (180deg=1.12) USER MOD Set 2.2: A1020 GLN : amide:sc= -0.585 K(o=1.3,f=-0.68) USER MOD Set 3.1: A 992 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Set 3.2: A 993 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 928 ASN : amide:sc= -4.44! C(o=-2.9!,f=-5.5!) USER MOD Set 4.2: A 968 THR OG1 : rot 108:sc= 1.54 USER MOD Set 5.1: A 954 MET CE :methyl -153:sc= -1.05 (180deg=-1.74) USER MOD Set 5.2: A1018 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.578!) USER MOD Single : A 924 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.23) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 47:sc= 0.435 USER MOD Single : A 934 LYS NZ :NH3+ -147:sc= -2.57 (180deg=-4.69!) USER MOD Single : A 939 MET CE :methyl -119:sc= -0.0113 (180deg=-2.05!) USER MOD Single : A 940 SER OG : rot -48:sc= 1.14 USER MOD Single : A 951 TYR OH : rot 68:sc= -4.04! USER MOD Single : A 956 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.78) USER MOD Single : A 964 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 972 SER OG : rot 58:sc= 1.24 USER MOD Single : A 980 THR OG1 : rot 23:sc= -0.608 USER MOD Single : A 981 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.032) USER MOD Single : A 986 MET CE :methyl 162:sc= -0.172 (180deg=-0.698) USER MOD Single : A 988 GLN : amide:sc= -9.92! C(o=-9.9!,f=-5.2!) USER MOD Single : A 989 LYS NZ :NH3+ 162:sc= -1.53! (180deg=-2.38!) USER MOD Single : A1000 ASN : amide:sc= 1.28 K(o=1.3,f=-0.22) USER MOD Single : A1002 MET CE :methyl -138:sc= -3.08 (180deg=-4.59!) USER MOD Single : A1003 LYS NZ :NH3+ 139:sc= 0 (180deg=-0.573) USER MOD Single : A1006 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.7!) USER MOD Single : A1007 GLN : amide:sc= -0.194 K(o=-0.19,f=-2) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 162:sc= -0.815 (180deg=-1.02) USER MOD Single : A1014 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.24) USER MOD Single : A1015 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.002) USER MOD Single : A1017 TYR OH : rot 180:sc= -0.467 USER MOD Single : A1019 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0183) USER MOD Single : A1021 MET CE :methyl 178:sc= -3.18 (180deg=-3.31) USER MOD Single : A1023 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc=-0.00773 K(o=-0.0077,f=-0.91) USER MOD Single : A1041 GLN : amide:sc= 0.521 K(o=0.52,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -9.196 -8.413 -3.071 1.00 0.00 N ATOM 180 CA LYS A 924 -9.477 -7.196 -2.340 1.00 0.00 C ATOM 181 C LYS A 924 -8.220 -6.350 -2.095 1.00 0.00 C ATOM 182 O LYS A 924 -8.327 -5.138 -1.999 1.00 0.00 O ATOM 183 CB LYS A 924 -10.145 -7.521 -1.011 1.00 0.00 C ATOM 184 CG LYS A 924 -10.811 -6.308 -0.375 1.00 0.00 C ATOM 185 CD LYS A 924 -11.724 -5.581 -1.364 1.00 0.00 C ATOM 186 CE LYS A 924 -12.939 -6.417 -1.743 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.854 -5.687 -2.663 1.00 0.00 N ATOM 0 HA LYS A 924 -10.152 -6.605 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -10.891 -8.301 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.401 -7.923 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.392 -6.624 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -10.046 -5.621 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.055 -4.639 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.160 -5.334 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -12.609 -7.341 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.481 -6.698 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.632 -6.315 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.243 -4.854 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.327 -5.382 -3.506 1.00 0.00 H new ATOM 201 N VAL A 925 -7.036 -6.961 -2.036 1.00 0.00 N ATOM 202 CA VAL A 925 -5.823 -6.223 -1.647 1.00 0.00 C ATOM 203 C VAL A 925 -5.485 -5.129 -2.669 1.00 0.00 C ATOM 204 O VAL A 925 -5.184 -3.997 -2.302 1.00 0.00 O ATOM 205 CB VAL A 925 -4.600 -7.150 -1.462 1.00 0.00 C ATOM 206 CG1 VAL A 925 -3.505 -6.445 -0.689 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.990 -8.458 -0.786 1.00 0.00 C ATOM 0 H VAL A 925 -6.887 -7.948 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.046 -5.762 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 925 -4.215 -7.395 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.654 -7.116 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -3.192 -5.554 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.880 -6.158 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -4.106 -9.086 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.415 -8.248 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.728 -8.978 -1.397 1.00 0.00 H new ATOM 217 N TYR A 926 -5.586 -5.459 -3.945 1.00 0.00 N ATOM 218 CA TYR A 926 -5.340 -4.506 -5.033 1.00 0.00 C ATOM 219 C TYR A 926 -6.541 -3.621 -5.206 1.00 0.00 C ATOM 220 O TYR A 926 -6.445 -2.539 -5.783 1.00 0.00 O ATOM 221 CB TYR A 926 -4.970 -5.218 -6.348 1.00 0.00 C ATOM 222 CG TYR A 926 -6.129 -5.391 -7.306 1.00 0.00 C ATOM 223 CD1 TYR A 926 -7.223 -6.154 -6.958 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.131 -4.772 -8.547 1.00 0.00 C ATOM 225 CE1 TYR A 926 -8.295 -6.307 -7.802 1.00 0.00 C ATOM 226 CE2 TYR A 926 -7.197 -4.919 -9.411 1.00 0.00 C ATOM 227 CZ TYR A 926 -8.281 -5.688 -9.034 1.00 0.00 C ATOM 228 OH TYR A 926 -9.351 -5.833 -9.887 1.00 0.00 O ATOM 0 H TYR A 926 -5.841 -6.394 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.482 -3.890 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.183 -4.652 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -4.557 -6.199 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -7.237 -6.644 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.287 -4.166 -8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -9.142 -6.907 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.184 -4.435 -10.377 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.182 -5.332 -10.712 1.00 0.00 H new ATOM 238 N GLU A 927 -7.662 -4.048 -4.704 1.00 0.00 N ATOM 239 CA GLU A 927 -8.784 -3.159 -4.616 1.00 0.00 C ATOM 240 C GLU A 927 -8.622 -2.182 -3.457 1.00 0.00 C ATOM 241 O GLU A 927 -9.202 -1.096 -3.480 1.00 0.00 O ATOM 242 CB GLU A 927 -10.093 -3.894 -4.562 1.00 0.00 C ATOM 243 CG GLU A 927 -11.083 -3.214 -5.431 1.00 0.00 C ATOM 244 CD GLU A 927 -12.503 -3.391 -4.942 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.010 -4.533 -4.978 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.110 -2.400 -4.498 1.00 0.00 O ATOM 0 H GLU A 927 -7.824 -4.992 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.806 -2.573 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -9.956 -4.925 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.459 -3.930 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.849 -2.151 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.000 -3.605 -6.445 1.00 0.00 H new ATOM 253 N ASN A 928 -7.832 -2.528 -2.467 1.00 0.00 N ATOM 254 CA ASN A 928 -7.437 -1.566 -1.446 1.00 0.00 C ATOM 255 C ASN A 928 -6.395 -0.617 -2.041 1.00 0.00 C ATOM 256 O ASN A 928 -6.279 0.539 -1.641 1.00 0.00 O ATOM 257 CB ASN A 928 -6.905 -2.283 -0.211 1.00 0.00 C ATOM 258 CG ASN A 928 -7.850 -3.371 0.263 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.421 -4.407 0.760 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.147 -3.148 0.110 1.00 0.00 N ATOM 0 H ASN A 928 -7.447 -3.464 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.302 -0.984 -1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.932 -2.720 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -6.752 -1.560 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.824 -3.850 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.469 -2.275 -0.307 1.00 0.00 H new ATOM 267 N VAL A 929 -5.662 -1.133 -3.029 1.00 0.00 N ATOM 268 CA VAL A 929 -4.665 -0.371 -3.789 1.00 0.00 C ATOM 269 C VAL A 929 -5.353 0.522 -4.815 1.00 0.00 C ATOM 270 O VAL A 929 -4.853 1.608 -5.104 1.00 0.00 O ATOM 271 CB VAL A 929 -3.650 -1.277 -4.524 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.626 -0.444 -5.273 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.960 -2.218 -3.558 1.00 0.00 C ATOM 0 H VAL A 929 -5.744 -2.104 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.117 0.228 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.203 -1.876 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.923 -1.103 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.133 0.182 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.086 0.188 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.252 -2.843 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.428 -1.639 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.703 -2.850 -3.072 1.00 0.00 H new ATOM 283 N THR A 930 -6.490 0.119 -5.338 1.00 0.00 N ATOM 284 CA THR A 930 -7.262 1.028 -6.165 1.00 0.00 C ATOM 285 C THR A 930 -7.638 2.250 -5.324 1.00 0.00 C ATOM 286 O THR A 930 -7.559 3.395 -5.773 1.00 0.00 O ATOM 287 CB THR A 930 -8.531 0.346 -6.719 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.177 -0.887 -7.362 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.250 1.247 -7.714 1.00 0.00 C ATOM 0 H THR A 930 -6.896 -0.808 -5.212 1.00 0.00 H new ATOM 0 HA THR A 930 -6.659 1.331 -7.021 1.00 0.00 H new ATOM 0 HB THR A 930 -9.203 0.150 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.573 -1.396 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.140 0.740 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.541 2.174 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.585 1.473 -8.547 1.00 0.00 H new ATOM 297 N GLY A 931 -8.013 1.981 -4.082 1.00 0.00 N ATOM 298 CA GLY A 931 -8.328 3.042 -3.149 1.00 0.00 C ATOM 299 C GLY A 931 -7.115 3.868 -2.730 1.00 0.00 C ATOM 300 O GLY A 931 -7.121 5.092 -2.890 1.00 0.00 O ATOM 0 H GLY A 931 -8.105 1.039 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.069 3.703 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.786 2.609 -2.260 1.00 0.00 H new ATOM 304 N LEU A 932 -6.066 3.206 -2.234 1.00 0.00 N ATOM 305 CA LEU A 932 -4.887 3.913 -1.712 1.00 0.00 C ATOM 306 C LEU A 932 -4.153 4.726 -2.785 1.00 0.00 C ATOM 307 O LEU A 932 -3.868 5.905 -2.584 1.00 0.00 O ATOM 308 CB LEU A 932 -3.923 2.933 -0.998 1.00 0.00 C ATOM 309 CG LEU A 932 -3.033 2.032 -1.860 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.682 2.690 -2.114 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.841 0.688 -1.177 1.00 0.00 C ATOM 0 H LEU A 932 -6.006 2.189 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.256 4.632 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.273 3.520 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.521 2.290 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.524 1.878 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.067 2.032 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.830 3.637 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.181 2.872 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.207 0.053 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.368 0.837 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.810 0.209 -1.038 1.00 0.00 H new ATOM 323 N VAL A 933 -3.867 4.099 -3.929 1.00 0.00 N ATOM 324 CA VAL A 933 -3.087 4.747 -4.988 1.00 0.00 C ATOM 325 C VAL A 933 -3.842 5.923 -5.572 1.00 0.00 C ATOM 326 O VAL A 933 -3.252 6.956 -5.913 1.00 0.00 O ATOM 327 CB VAL A 933 -2.726 3.765 -6.125 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.106 4.495 -7.311 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.771 2.704 -5.619 1.00 0.00 C ATOM 0 H VAL A 933 -4.162 3.147 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.164 5.096 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.648 3.290 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.863 3.777 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.814 5.228 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.197 5.003 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.525 2.019 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.859 3.178 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.240 2.150 -4.806 1.00 0.00 H new ATOM 339 N LYS A 934 -5.149 5.767 -5.680 1.00 0.00 N ATOM 340 CA LYS A 934 -5.977 6.822 -6.230 1.00 0.00 C ATOM 341 C LYS A 934 -5.826 8.097 -5.401 1.00 0.00 C ATOM 342 O LYS A 934 -5.620 9.175 -5.953 1.00 0.00 O ATOM 343 CB LYS A 934 -7.432 6.369 -6.306 1.00 0.00 C ATOM 344 CG LYS A 934 -8.416 7.492 -6.579 1.00 0.00 C ATOM 345 CD LYS A 934 -9.856 7.048 -6.379 1.00 0.00 C ATOM 346 CE LYS A 934 -10.261 7.032 -4.908 1.00 0.00 C ATOM 347 NZ LYS A 934 -9.714 5.860 -4.173 1.00 0.00 N ATOM 0 H LYS A 934 -5.655 4.928 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.647 7.044 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.527 5.618 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.700 5.885 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.200 8.332 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.285 7.849 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.519 7.716 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.988 6.051 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.915 7.949 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -11.349 7.026 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.387 5.568 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -9.564 5.073 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -8.808 6.119 -3.732 1.00 0.00 H new ATOM 361 N ALA A 935 -5.894 7.964 -4.084 1.00 0.00 N ATOM 362 CA ALA A 935 -5.683 9.102 -3.186 1.00 0.00 C ATOM 363 C ALA A 935 -4.333 9.783 -3.447 1.00 0.00 C ATOM 364 O ALA A 935 -4.250 11.010 -3.472 1.00 0.00 O ATOM 365 CB ALA A 935 -5.772 8.661 -1.733 1.00 0.00 C ATOM 0 H ALA A 935 -6.093 7.083 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.472 9.827 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.613 9.520 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.758 8.238 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.009 7.908 -1.534 1.00 0.00 H new ATOM 371 N VAL A 936 -3.298 8.973 -3.667 1.00 0.00 N ATOM 372 CA VAL A 936 -1.927 9.459 -3.886 1.00 0.00 C ATOM 373 C VAL A 936 -1.862 10.573 -4.935 1.00 0.00 C ATOM 374 O VAL A 936 -1.710 11.746 -4.600 1.00 0.00 O ATOM 375 CB VAL A 936 -1.001 8.308 -4.335 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.425 8.796 -4.527 1.00 0.00 C ATOM 377 CG2 VAL A 936 -1.049 7.160 -3.340 1.00 0.00 C ATOM 0 H VAL A 936 -3.382 7.957 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.592 9.862 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.362 7.942 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.055 7.964 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.443 9.575 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.801 9.199 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.389 6.360 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.723 7.513 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.069 6.783 -3.268 1.00 0.00 H new ATOM 387 N ILE A 937 -1.985 10.197 -6.199 1.00 0.00 N ATOM 388 CA ILE A 937 -1.838 11.138 -7.312 1.00 0.00 C ATOM 389 C ILE A 937 -3.048 12.062 -7.454 1.00 0.00 C ATOM 390 O ILE A 937 -2.894 13.282 -7.648 1.00 0.00 O ATOM 391 CB ILE A 937 -1.602 10.398 -8.646 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.719 9.381 -8.908 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.239 9.717 -8.633 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.642 8.727 -10.269 1.00 0.00 C ATOM 0 H ILE A 937 -2.188 9.240 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.966 11.749 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.617 11.127 -9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.681 8.608 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.683 9.880 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.083 9.198 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.541 10.466 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.199 8.999 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.465 8.021 -10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.712 9.490 -11.044 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.694 8.198 -10.365 1.00 0.00 H new ATOM 406 N GLU A 938 -4.240 11.510 -7.309 1.00 0.00 N ATOM 407 CA GLU A 938 -5.456 12.282 -7.548 1.00 0.00 C ATOM 408 C GLU A 938 -5.531 13.460 -6.602 1.00 0.00 C ATOM 409 O GLU A 938 -5.706 14.597 -7.025 1.00 0.00 O ATOM 410 CB GLU A 938 -6.711 11.421 -7.404 1.00 0.00 C ATOM 411 CG GLU A 938 -7.082 10.663 -8.665 1.00 0.00 C ATOM 412 CD GLU A 938 -7.495 11.592 -9.789 1.00 0.00 C ATOM 413 OE1 GLU A 938 -8.617 12.135 -9.732 1.00 0.00 O ATOM 414 OE2 GLU A 938 -6.699 11.787 -10.732 1.00 0.00 O ATOM 0 H GLU A 938 -4.396 10.541 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.412 12.646 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.560 10.708 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.547 12.059 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -6.233 10.060 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.898 9.974 -8.446 1.00 0.00 H new ATOM 421 N MET A 939 -5.368 13.195 -5.323 1.00 0.00 N ATOM 422 CA MET A 939 -5.456 14.252 -4.339 1.00 0.00 C ATOM 423 C MET A 939 -4.213 15.134 -4.377 1.00 0.00 C ATOM 424 O MET A 939 -4.289 16.322 -4.067 1.00 0.00 O ATOM 425 CB MET A 939 -5.672 13.675 -2.946 1.00 0.00 C ATOM 426 CG MET A 939 -7.018 12.998 -2.769 1.00 0.00 C ATOM 427 SD MET A 939 -7.225 12.287 -1.129 1.00 0.00 S ATOM 428 CE MET A 939 -8.907 11.690 -1.246 1.00 0.00 C ATOM 0 H MET A 939 -5.176 12.268 -4.944 1.00 0.00 H new ATOM 0 HA MET A 939 -6.317 14.874 -4.585 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.882 12.954 -2.734 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.578 14.475 -2.212 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.812 13.723 -2.949 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.127 12.213 -3.518 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.523 12.189 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.300 11.902 -2.240 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.924 10.614 -1.071 1.00 0.00 H new ATOM 438 N SER A 940 -3.091 14.552 -4.823 1.00 0.00 N ATOM 439 CA SER A 940 -1.782 15.197 -4.721 1.00 0.00 C ATOM 440 C SER A 940 -1.802 16.602 -5.300 1.00 0.00 C ATOM 441 O SER A 940 -1.327 17.555 -4.683 1.00 0.00 O ATOM 442 CB SER A 940 -0.708 14.381 -5.459 1.00 0.00 C ATOM 443 OG SER A 940 -0.810 14.504 -6.866 1.00 0.00 O ATOM 0 H SER A 940 -3.068 13.630 -5.260 1.00 0.00 H new ATOM 0 HA SER A 940 -1.543 15.251 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.280 14.712 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.798 13.331 -5.181 1.00 0.00 H new ATOM 0 HG SER A 940 -1.740 14.360 -7.140 1.00 0.00 H new ATOM 600 N TYR A 951 -3.346 16.314 3.156 1.00 0.00 N ATOM 601 CA TYR A 951 -2.485 15.165 3.367 1.00 0.00 C ATOM 602 C TYR A 951 -2.866 14.459 4.658 1.00 0.00 C ATOM 603 O TYR A 951 -2.776 13.247 4.746 1.00 0.00 O ATOM 604 CB TYR A 951 -1.018 15.600 3.439 1.00 0.00 C ATOM 605 CG TYR A 951 -0.746 16.931 2.784 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.106 17.162 1.469 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.149 17.966 3.489 1.00 0.00 C ATOM 608 CE1 TYR A 951 -0.877 18.381 0.871 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.081 19.186 2.897 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.284 19.385 1.590 1.00 0.00 C ATOM 611 OH TYR A 951 -0.056 20.591 0.998 1.00 0.00 O ATOM 0 HA TYR A 951 -2.612 14.482 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.715 15.651 4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.399 14.839 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -1.575 16.372 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.140 17.811 4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.163 18.544 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.546 19.983 3.458 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.911 21.034 0.818 1.00 0.00 H new ATOM 621 N VAL A 952 -3.284 15.220 5.667 1.00 0.00 N ATOM 622 CA VAL A 952 -3.746 14.621 6.908 1.00 0.00 C ATOM 623 C VAL A 952 -5.209 14.179 6.805 1.00 0.00 C ATOM 624 O VAL A 952 -5.557 13.128 7.338 1.00 0.00 O ATOM 625 CB VAL A 952 -3.497 15.491 8.171 1.00 0.00 C ATOM 626 CG1 VAL A 952 -2.082 15.270 8.676 1.00 0.00 C ATOM 627 CG2 VAL A 952 -3.716 16.971 7.908 1.00 0.00 C ATOM 0 H VAL A 952 -3.311 16.239 5.647 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.127 13.735 7.048 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.221 15.181 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -1.912 15.882 9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -1.946 14.219 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -1.371 15.550 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -3.529 17.535 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -3.032 17.307 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -4.744 17.135 7.584 1.00 0.00 H new ATOM 637 N PRO A 953 -6.105 14.952 6.141 1.00 0.00 N ATOM 638 CA PRO A 953 -7.381 14.412 5.678 1.00 0.00 C ATOM 639 C PRO A 953 -7.169 13.107 4.906 1.00 0.00 C ATOM 640 O PRO A 953 -7.878 12.118 5.077 1.00 0.00 O ATOM 641 CB PRO A 953 -7.903 15.522 4.769 1.00 0.00 C ATOM 642 CG PRO A 953 -7.420 16.753 5.432 1.00 0.00 C ATOM 643 CD PRO A 953 -6.038 16.409 5.911 1.00 0.00 C ATOM 0 HA PRO A 953 -8.071 14.161 6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.513 15.430 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -8.990 15.504 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.401 17.595 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.068 17.037 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.281 16.664 5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.784 16.948 6.824 1.00 0.00 H new ATOM 651 N MET A 954 -6.142 13.137 4.082 1.00 0.00 N ATOM 652 CA MET A 954 -5.706 12.011 3.279 1.00 0.00 C ATOM 653 C MET A 954 -5.082 10.913 4.133 1.00 0.00 C ATOM 654 O MET A 954 -5.119 9.749 3.755 1.00 0.00 O ATOM 655 CB MET A 954 -4.730 12.525 2.233 1.00 0.00 C ATOM 656 CG MET A 954 -3.506 11.667 1.998 1.00 0.00 C ATOM 657 SD MET A 954 -2.404 12.403 0.782 1.00 0.00 S ATOM 658 CE MET A 954 -3.471 12.409 -0.657 1.00 0.00 C ATOM 0 H MET A 954 -5.570 13.971 3.948 1.00 0.00 H new ATOM 0 HA MET A 954 -6.568 11.558 2.790 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.262 12.632 1.288 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.401 13.521 2.528 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.972 11.530 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.814 10.678 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.863 12.366 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 954 -4.132 11.543 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 954 -4.067 13.321 -0.664 1.00 0.00 H new ATOM 668 N VAL A 955 -4.479 11.273 5.267 1.00 0.00 N ATOM 669 CA VAL A 955 -3.994 10.262 6.206 1.00 0.00 C ATOM 670 C VAL A 955 -5.139 9.316 6.536 1.00 0.00 C ATOM 671 O VAL A 955 -4.970 8.101 6.625 1.00 0.00 O ATOM 672 CB VAL A 955 -3.450 10.869 7.524 1.00 0.00 C ATOM 673 CG1 VAL A 955 -3.123 9.777 8.532 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.218 11.715 7.272 1.00 0.00 C ATOM 0 H VAL A 955 -4.317 12.238 5.554 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.166 9.741 5.726 1.00 0.00 H new ATOM 0 HB VAL A 955 -4.233 11.507 7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.743 10.229 9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -4.024 9.207 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.367 9.112 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.860 12.127 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.438 11.098 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.469 12.530 6.593 1.00 0.00 H new ATOM 684 N LYS A 956 -6.310 9.896 6.699 1.00 0.00 N ATOM 685 CA LYS A 956 -7.533 9.141 6.883 1.00 0.00 C ATOM 686 C LYS A 956 -7.932 8.383 5.605 1.00 0.00 C ATOM 687 O LYS A 956 -8.460 7.278 5.682 1.00 0.00 O ATOM 688 CB LYS A 956 -8.627 10.107 7.361 1.00 0.00 C ATOM 689 CG LYS A 956 -10.055 9.668 7.101 1.00 0.00 C ATOM 690 CD LYS A 956 -10.591 10.272 5.811 1.00 0.00 C ATOM 691 CE LYS A 956 -12.077 9.993 5.654 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.616 10.524 4.379 1.00 0.00 N ATOM 0 H LYS A 956 -6.441 10.907 6.708 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.383 8.371 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.504 10.263 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.470 11.072 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -10.099 8.580 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.688 9.968 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.417 11.348 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -10.048 9.861 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -12.250 8.918 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.619 10.438 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.654 10.558 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -12.245 11.482 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.327 9.905 3.595 1.00 0.00 H new ATOM 706 N GLU A 957 -7.638 8.955 4.439 1.00 0.00 N ATOM 707 CA GLU A 957 -8.041 8.352 3.161 1.00 0.00 C ATOM 708 C GLU A 957 -7.126 7.190 2.752 1.00 0.00 C ATOM 709 O GLU A 957 -7.596 6.106 2.408 1.00 0.00 O ATOM 710 CB GLU A 957 -8.028 9.413 2.059 1.00 0.00 C ATOM 711 CG GLU A 957 -9.082 10.492 2.230 1.00 0.00 C ATOM 712 CD GLU A 957 -10.478 9.988 1.928 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.026 9.214 2.735 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.036 10.373 0.881 1.00 0.00 O ATOM 0 H GLU A 957 -7.124 9.832 4.348 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.047 7.955 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.044 9.881 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.176 8.924 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.048 10.870 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -8.851 11.330 1.572 1.00 0.00 H new ATOM 721 N VAL A 958 -5.819 7.409 2.830 1.00 0.00 N ATOM 722 CA VAL A 958 -4.841 6.399 2.432 1.00 0.00 C ATOM 723 C VAL A 958 -4.602 5.462 3.577 1.00 0.00 C ATOM 724 O VAL A 958 -4.394 4.269 3.377 1.00 0.00 O ATOM 725 CB VAL A 958 -3.486 7.006 2.033 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.680 6.030 1.188 1.00 0.00 C ATOM 727 CG2 VAL A 958 -3.679 8.319 1.317 1.00 0.00 C ATOM 0 H VAL A 958 -5.409 8.280 3.166 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.256 5.885 1.565 1.00 0.00 H new ATOM 0 HB VAL A 958 -2.919 7.201 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.726 6.483 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -2.501 5.118 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -3.235 5.789 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -2.707 8.731 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -4.271 8.159 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -4.198 9.018 1.973 1.00 0.00 H new ATOM 737 N GLY A 959 -4.645 6.009 4.777 1.00 0.00 N ATOM 738 CA GLY A 959 -4.463 5.207 5.952 1.00 0.00 C ATOM 739 C GLY A 959 -5.517 4.132 6.030 1.00 0.00 C ATOM 740 O GLY A 959 -5.231 2.992 6.374 1.00 0.00 O ATOM 0 H GLY A 959 -4.804 7.001 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.473 4.752 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.512 5.837 6.840 1.00 0.00 H new ATOM 744 N LEU A 960 -6.737 4.504 5.660 1.00 0.00 N ATOM 745 CA LEU A 960 -7.846 3.569 5.579 1.00 0.00 C ATOM 746 C LEU A 960 -7.629 2.574 4.440 1.00 0.00 C ATOM 747 O LEU A 960 -7.949 1.401 4.575 1.00 0.00 O ATOM 748 CB LEU A 960 -9.163 4.340 5.394 1.00 0.00 C ATOM 749 CG LEU A 960 -10.457 3.523 5.523 1.00 0.00 C ATOM 750 CD1 LEU A 960 -11.607 4.426 5.936 1.00 0.00 C ATOM 751 CD2 LEU A 960 -10.801 2.827 4.213 1.00 0.00 C ATOM 0 H LEU A 960 -6.982 5.462 5.409 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.902 3.002 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.193 5.146 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.150 4.806 4.409 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.298 2.762 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -12.519 3.836 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -11.380 4.889 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.748 5.202 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -11.722 2.256 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -10.937 3.573 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -9.991 2.153 3.935 1.00 0.00 H new ATOM 763 N ALA A 961 -7.048 3.021 3.341 1.00 0.00 N ATOM 764 CA ALA A 961 -6.912 2.173 2.172 1.00 0.00 C ATOM 765 C ALA A 961 -5.792 1.157 2.363 1.00 0.00 C ATOM 766 O ALA A 961 -6.027 -0.043 2.324 1.00 0.00 O ATOM 767 CB ALA A 961 -6.654 3.033 0.955 1.00 0.00 C ATOM 0 H ALA A 961 -6.665 3.960 3.234 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.839 1.617 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.551 2.397 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.488 3.720 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.736 3.603 1.100 1.00 0.00 H new ATOM 773 N LEU A 962 -4.577 1.659 2.569 1.00 0.00 N ATOM 774 CA LEU A 962 -3.425 0.827 2.914 1.00 0.00 C ATOM 775 C LEU A 962 -3.692 -0.067 4.134 1.00 0.00 C ATOM 776 O LEU A 962 -3.176 -1.179 4.184 1.00 0.00 O ATOM 777 CB LEU A 962 -2.162 1.704 3.099 1.00 0.00 C ATOM 778 CG LEU A 962 -2.108 2.581 4.361 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.677 1.776 5.578 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.168 3.754 4.146 1.00 0.00 C ATOM 0 H LEU A 962 -4.362 2.654 2.502 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.245 0.147 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.291 1.049 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.069 2.354 2.229 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.113 2.960 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.649 2.426 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.387 0.967 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.685 1.358 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.139 4.367 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.167 3.383 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.523 4.356 3.309 1.00 0.00 H new ATOM 792 N ARG A 963 -4.469 0.371 5.121 1.00 0.00 N ATOM 793 CA ARG A 963 -4.801 -0.542 6.217 1.00 0.00 C ATOM 794 C ARG A 963 -5.780 -1.620 5.759 1.00 0.00 C ATOM 795 O ARG A 963 -5.643 -2.772 6.156 1.00 0.00 O ATOM 796 CB ARG A 963 -5.366 0.180 7.435 1.00 0.00 C ATOM 797 CG ARG A 963 -6.824 0.567 7.266 1.00 0.00 C ATOM 798 CD ARG A 963 -7.306 1.497 8.364 1.00 0.00 C ATOM 799 NE ARG A 963 -7.181 0.908 9.693 1.00 0.00 N ATOM 800 CZ ARG A 963 -8.216 0.482 10.418 1.00 0.00 C ATOM 801 NH1 ARG A 963 -9.442 0.505 9.911 1.00 0.00 N ATOM 802 NH2 ARG A 963 -8.026 0.025 11.648 1.00 0.00 N ATOM 0 H ARG A 963 -4.866 1.308 5.189 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.862 -1.009 6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.264 -0.461 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.777 1.077 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.959 1.051 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.438 -0.334 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.735 2.424 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.349 1.758 8.183 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.246 0.817 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.596 0.849 8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -10.231 0.178 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -7.086 -0.002 12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -8.820 -0.300 12.200 1.00 0.00 H new ATOM 816 N THR A 964 -6.764 -1.254 4.937 1.00 0.00 N ATOM 817 CA THR A 964 -7.660 -2.246 4.372 1.00 0.00 C ATOM 818 C THR A 964 -6.836 -3.210 3.534 1.00 0.00 C ATOM 819 O THR A 964 -7.041 -4.422 3.561 1.00 0.00 O ATOM 820 CB THR A 964 -8.777 -1.604 3.513 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.465 -0.614 4.285 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.784 -2.653 3.067 1.00 0.00 C ATOM 0 H THR A 964 -6.954 -0.292 4.655 1.00 0.00 H new ATOM 0 HA THR A 964 -8.158 -2.773 5.186 1.00 0.00 H new ATOM 0 HB THR A 964 -8.315 -1.152 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.973 0.233 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.560 -2.180 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.278 -3.414 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.237 -3.118 3.943 1.00 0.00 H new ATOM 830 N LEU A 965 -5.864 -2.638 2.840 1.00 0.00 N ATOM 831 CA LEU A 965 -4.896 -3.392 2.066 1.00 0.00 C ATOM 832 C LEU A 965 -4.186 -4.404 2.939 1.00 0.00 C ATOM 833 O LEU A 965 -4.196 -5.604 2.665 1.00 0.00 O ATOM 834 CB LEU A 965 -3.863 -2.437 1.472 1.00 0.00 C ATOM 835 CG LEU A 965 -2.539 -3.094 1.063 1.00 0.00 C ATOM 836 CD1 LEU A 965 -2.474 -3.277 -0.439 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.358 -2.271 1.553 1.00 0.00 C ATOM 0 H LEU A 965 -5.726 -1.628 2.799 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.424 -3.918 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.297 -1.953 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.654 -1.653 2.199 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.488 -4.078 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.527 -3.745 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.298 -3.913 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.551 -2.306 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.428 -2.754 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.405 -1.273 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.393 -2.196 2.640 1.00 0.00 H new ATOM 849 N LEU A 966 -3.607 -3.906 4.020 1.00 0.00 N ATOM 850 CA LEU A 966 -2.761 -4.713 4.865 1.00 0.00 C ATOM 851 C LEU A 966 -3.614 -5.738 5.591 1.00 0.00 C ATOM 852 O LEU A 966 -3.188 -6.855 5.822 1.00 0.00 O ATOM 853 CB LEU A 966 -1.993 -3.794 5.836 1.00 0.00 C ATOM 854 CG LEU A 966 -1.218 -4.472 6.970 1.00 0.00 C ATOM 855 CD1 LEU A 966 0.034 -3.673 7.303 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.092 -4.593 8.213 1.00 0.00 C ATOM 0 H LEU A 966 -3.713 -2.940 4.329 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.025 -5.257 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.290 -3.199 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -2.706 -3.100 6.281 1.00 0.00 H new ATOM 0 HG LEU A 966 -0.929 -5.470 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.576 -4.165 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.672 -3.613 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -0.248 -2.668 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.527 -5.077 9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.401 -3.600 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -2.974 -5.189 7.981 1.00 0.00 H new ATOM 868 N ALA A 967 -4.835 -5.337 5.933 1.00 0.00 N ATOM 869 CA ALA A 967 -5.780 -6.221 6.597 1.00 0.00 C ATOM 870 C ALA A 967 -6.314 -7.288 5.654 1.00 0.00 C ATOM 871 O ALA A 967 -6.646 -8.369 6.107 1.00 0.00 O ATOM 872 CB ALA A 967 -6.915 -5.437 7.230 1.00 0.00 C ATOM 0 H ALA A 967 -5.192 -4.398 5.758 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.238 -6.731 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -7.605 -6.125 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -6.511 -4.744 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.445 -4.878 6.459 1.00 0.00 H new ATOM 878 N THR A 968 -6.396 -7.014 4.360 1.00 0.00 N ATOM 879 CA THR A 968 -6.744 -8.063 3.407 1.00 0.00 C ATOM 880 C THR A 968 -5.573 -9.032 3.254 1.00 0.00 C ATOM 881 O THR A 968 -5.766 -10.230 3.071 1.00 0.00 O ATOM 882 CB THR A 968 -7.165 -7.503 2.031 1.00 0.00 C ATOM 883 OG1 THR A 968 -8.166 -6.492 2.213 1.00 0.00 O ATOM 884 CG2 THR A 968 -7.736 -8.615 1.164 1.00 0.00 C ATOM 0 H THR A 968 -6.231 -6.095 3.950 1.00 0.00 H new ATOM 0 HA THR A 968 -7.609 -8.591 3.807 1.00 0.00 H new ATOM 0 HB THR A 968 -6.289 -7.078 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 968 -7.777 -5.611 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.029 -8.208 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 968 -6.981 -9.387 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.608 -9.048 1.655 1.00 0.00 H new ATOM 892 N VAL A 969 -4.363 -8.509 3.370 1.00 0.00 N ATOM 893 CA VAL A 969 -3.164 -9.351 3.430 1.00 0.00 C ATOM 894 C VAL A 969 -3.109 -10.112 4.765 1.00 0.00 C ATOM 895 O VAL A 969 -2.814 -11.306 4.797 1.00 0.00 O ATOM 896 CB VAL A 969 -1.865 -8.534 3.255 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.660 -9.452 3.151 1.00 0.00 C ATOM 898 CG2 VAL A 969 -1.943 -7.640 2.035 1.00 0.00 C ATOM 0 H VAL A 969 -4.178 -7.507 3.425 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.233 -10.056 2.602 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.750 -7.904 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.243 -8.854 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.579 -10.050 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.778 -10.112 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.015 -7.077 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.093 -8.251 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.778 -6.948 2.144 1.00 0.00 H new ATOM 908 N ASP A 970 -3.463 -9.437 5.848 1.00 0.00 N ATOM 909 CA ASP A 970 -3.461 -10.055 7.178 1.00 0.00 C ATOM 910 C ASP A 970 -4.510 -11.143 7.213 1.00 0.00 C ATOM 911 O ASP A 970 -4.301 -12.243 7.728 1.00 0.00 O ATOM 912 CB ASP A 970 -3.767 -9.017 8.263 1.00 0.00 C ATOM 913 CG ASP A 970 -3.983 -9.641 9.626 1.00 0.00 C ATOM 914 OD1 ASP A 970 -2.989 -9.979 10.299 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.153 -9.784 10.037 1.00 0.00 O ATOM 0 H ASP A 970 -3.757 -8.460 5.839 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.473 -10.473 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -2.944 -8.305 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.657 -8.454 7.981 1.00 0.00 H new ATOM 920 N GLU A 971 -5.634 -10.806 6.627 1.00 0.00 N ATOM 921 CA GLU A 971 -6.756 -11.699 6.492 1.00 0.00 C ATOM 922 C GLU A 971 -6.359 -12.906 5.650 1.00 0.00 C ATOM 923 O GLU A 971 -6.752 -14.036 5.927 1.00 0.00 O ATOM 924 CB GLU A 971 -7.876 -10.913 5.836 1.00 0.00 C ATOM 925 CG GLU A 971 -9.200 -11.644 5.747 1.00 0.00 C ATOM 926 CD GLU A 971 -10.245 -10.844 5.001 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.555 -9.715 5.434 1.00 0.00 O ATOM 928 OE2 GLU A 971 -10.749 -11.329 3.968 1.00 0.00 O ATOM 0 H GLU A 971 -5.796 -9.884 6.223 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.084 -12.075 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.025 -9.988 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.563 -10.633 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.052 -12.601 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.561 -11.862 6.752 1.00 0.00 H new ATOM 935 N SER A 972 -5.543 -12.644 4.636 1.00 0.00 N ATOM 936 CA SER A 972 -5.008 -13.685 3.769 1.00 0.00 C ATOM 937 C SER A 972 -4.048 -14.593 4.530 1.00 0.00 C ATOM 938 O SER A 972 -3.786 -15.718 4.110 1.00 0.00 O ATOM 939 CB SER A 972 -4.284 -13.052 2.574 1.00 0.00 C ATOM 940 OG SER A 972 -5.199 -12.390 1.713 1.00 0.00 O ATOM 0 H SER A 972 -5.234 -11.703 4.392 1.00 0.00 H new ATOM 0 HA SER A 972 -5.842 -14.289 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.538 -12.342 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.750 -13.823 2.018 1.00 0.00 H new ATOM 0 HG SER A 972 -5.690 -11.709 2.219 1.00 0.00 H new ATOM 946 N LEU A 973 -3.551 -14.115 5.668 1.00 0.00 N ATOM 947 CA LEU A 973 -2.506 -14.820 6.400 1.00 0.00 C ATOM 948 C LEU A 973 -3.048 -16.121 6.995 1.00 0.00 C ATOM 949 O LEU A 973 -2.453 -17.177 6.789 1.00 0.00 O ATOM 950 CB LEU A 973 -1.898 -13.906 7.481 1.00 0.00 C ATOM 951 CG LEU A 973 -0.686 -14.458 8.245 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.133 -13.318 8.827 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.126 -15.391 9.363 1.00 0.00 C ATOM 0 H LEU A 973 -3.856 -13.243 6.102 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.709 -15.087 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.605 -12.968 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.678 -13.669 8.205 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.074 -15.021 7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 973 0.989 -13.723 9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.484 -12.673 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.486 -12.738 9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.249 -15.768 9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.762 -14.847 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.683 -16.227 8.941 1.00 0.00 H new ATOM 965 N PRO A 974 -4.176 -16.102 7.743 1.00 0.00 N ATOM 966 CA PRO A 974 -4.771 -17.343 8.226 1.00 0.00 C ATOM 967 C PRO A 974 -5.687 -18.003 7.196 1.00 0.00 C ATOM 968 O PRO A 974 -6.144 -19.130 7.404 1.00 0.00 O ATOM 969 CB PRO A 974 -5.542 -16.907 9.464 1.00 0.00 C ATOM 970 CG PRO A 974 -5.951 -15.503 9.177 1.00 0.00 C ATOM 971 CD PRO A 974 -4.921 -14.928 8.230 1.00 0.00 C ATOM 0 HA PRO A 974 -4.018 -18.104 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.409 -17.545 9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.921 -16.964 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.945 -15.474 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -5.998 -14.919 10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.393 -14.388 7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.263 -14.223 8.738 1.00 0.00 H new ATOM 979 N VAL A 975 -5.952 -17.325 6.082 1.00 0.00 N ATOM 980 CA VAL A 975 -6.639 -17.976 4.972 1.00 0.00 C ATOM 981 C VAL A 975 -5.668 -18.912 4.252 1.00 0.00 C ATOM 982 O VAL A 975 -6.016 -20.044 3.908 1.00 0.00 O ATOM 983 CB VAL A 975 -7.253 -16.965 3.971 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.790 -17.675 2.735 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.370 -16.175 4.637 1.00 0.00 C ATOM 0 H VAL A 975 -5.708 -16.347 5.926 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.470 -18.545 5.389 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.464 -16.280 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.215 -16.941 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.978 -18.207 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.562 -18.386 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.792 -15.469 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.149 -16.859 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -7.970 -15.630 5.492 1.00 0.00 H new ATOM 1049 N THR A 980 2.406 -18.672 2.045 1.00 0.00 N ATOM 1050 CA THR A 980 1.802 -17.366 1.802 1.00 0.00 C ATOM 1051 C THR A 980 1.811 -16.495 3.061 1.00 0.00 C ATOM 1052 O THR A 980 2.035 -15.290 2.976 1.00 0.00 O ATOM 1053 CB THR A 980 0.356 -17.497 1.282 1.00 0.00 C ATOM 1054 OG1 THR A 980 0.349 -18.246 0.065 1.00 0.00 O ATOM 1055 CG2 THR A 980 -0.271 -16.136 1.027 1.00 0.00 C ATOM 0 HA THR A 980 2.410 -16.883 1.037 1.00 0.00 H new ATOM 0 HB THR A 980 -0.228 -18.009 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.153 -18.804 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 980 -1.289 -16.267 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 980 -0.289 -15.564 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 980 0.316 -15.599 0.281 1.00 0.00 H new ATOM 1063 N HIS A 981 1.614 -17.104 4.232 1.00 0.00 N ATOM 1064 CA HIS A 981 1.516 -16.333 5.467 1.00 0.00 C ATOM 1065 C HIS A 981 2.820 -15.587 5.751 1.00 0.00 C ATOM 1066 O HIS A 981 2.803 -14.482 6.276 1.00 0.00 O ATOM 1067 CB HIS A 981 1.101 -17.213 6.670 1.00 0.00 C ATOM 1068 CG HIS A 981 2.221 -17.945 7.350 1.00 0.00 C ATOM 1069 ND1 HIS A 981 2.460 -17.875 8.703 1.00 0.00 N ATOM 1070 CD2 HIS A 981 3.153 -18.779 6.854 1.00 0.00 C ATOM 1071 CE1 HIS A 981 3.494 -18.635 9.005 1.00 0.00 C ATOM 1072 NE2 HIS A 981 3.934 -19.200 7.899 1.00 0.00 N ATOM 0 H HIS A 981 1.521 -18.113 4.348 1.00 0.00 H new ATOM 0 HA HIS A 981 0.726 -15.595 5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 981 0.603 -16.581 7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 981 0.367 -17.943 6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 981 3.266 -19.065 5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 981 3.910 -18.771 9.992 1.00 0.00 H new ATOM 0 HE2 HIS A 981 4.723 -19.843 7.832 1.00 0.00 H new ATOM 1081 N ARG A 982 3.951 -16.186 5.381 1.00 0.00 N ATOM 1082 CA ARG A 982 5.247 -15.571 5.640 1.00 0.00 C ATOM 1083 C ARG A 982 5.620 -14.593 4.532 1.00 0.00 C ATOM 1084 O ARG A 982 6.466 -13.717 4.729 1.00 0.00 O ATOM 1085 CB ARG A 982 6.340 -16.608 5.896 1.00 0.00 C ATOM 1086 CG ARG A 982 6.718 -17.446 4.681 1.00 0.00 C ATOM 1087 CD ARG A 982 7.572 -18.637 5.082 1.00 0.00 C ATOM 1088 NE ARG A 982 8.597 -18.277 6.061 1.00 0.00 N ATOM 1089 CZ ARG A 982 9.130 -19.137 6.931 1.00 0.00 C ATOM 1090 NH1 ARG A 982 8.801 -20.421 6.893 1.00 0.00 N ATOM 1091 NH2 ARG A 982 10.007 -18.722 7.831 1.00 0.00 N ATOM 0 H ARG A 982 3.994 -17.087 4.906 1.00 0.00 H new ATOM 0 HA ARG A 982 5.158 -14.997 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.231 -16.095 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.010 -17.275 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 982 5.815 -17.794 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.262 -16.830 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 982 6.933 -19.417 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.049 -19.055 4.196 1.00 0.00 H new ATOM 0 HE ARG A 982 8.924 -17.311 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 982 8.137 -20.757 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 982 9.212 -21.073 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.279 -17.740 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 982 10.411 -19.385 8.493 1.00 0.00 H new ATOM 1105 N GLU A 983 4.997 -14.729 3.375 1.00 0.00 N ATOM 1106 CA GLU A 983 5.063 -13.678 2.371 1.00 0.00 C ATOM 1107 C GLU A 983 4.232 -12.497 2.836 1.00 0.00 C ATOM 1108 O GLU A 983 4.589 -11.343 2.612 1.00 0.00 O ATOM 1109 CB GLU A 983 4.548 -14.169 1.020 1.00 0.00 C ATOM 1110 CG GLU A 983 5.646 -14.533 0.037 1.00 0.00 C ATOM 1111 CD GLU A 983 6.505 -15.682 0.522 1.00 0.00 C ATOM 1112 OE1 GLU A 983 6.077 -16.847 0.384 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.613 -15.422 1.044 1.00 0.00 O ATOM 0 H GLU A 983 4.446 -15.545 3.108 1.00 0.00 H new ATOM 0 HA GLU A 983 6.104 -13.381 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 983 3.913 -15.041 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.921 -13.395 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.198 -14.798 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.277 -13.661 -0.137 1.00 0.00 H new ATOM 1120 N ILE A 984 3.146 -12.805 3.524 1.00 0.00 N ATOM 1121 CA ILE A 984 2.267 -11.804 4.105 1.00 0.00 C ATOM 1122 C ILE A 984 2.971 -11.117 5.265 1.00 0.00 C ATOM 1123 O ILE A 984 2.806 -9.917 5.481 1.00 0.00 O ATOM 1124 CB ILE A 984 0.958 -12.469 4.576 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.093 -12.813 3.373 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.206 -11.595 5.565 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.959 -13.846 3.660 1.00 0.00 C ATOM 0 H ILE A 984 2.847 -13.765 3.697 1.00 0.00 H new ATOM 0 HA ILE A 984 2.021 -11.053 3.354 1.00 0.00 H new ATOM 0 HB ILE A 984 1.211 -13.390 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.391 -11.905 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.733 -13.173 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.710 -12.099 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.831 -11.414 6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.044 -10.644 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -1.536 -14.039 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.482 -14.769 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.624 -13.481 4.443 1.00 0.00 H new ATOM 1139 N GLU A 985 3.804 -11.874 5.956 1.00 0.00 N ATOM 1140 CA GLU A 985 4.622 -11.332 7.025 1.00 0.00 C ATOM 1141 C GLU A 985 5.493 -10.211 6.481 1.00 0.00 C ATOM 1142 O GLU A 985 5.536 -9.103 7.027 1.00 0.00 O ATOM 1143 CB GLU A 985 5.505 -12.429 7.622 1.00 0.00 C ATOM 1144 CG GLU A 985 4.727 -13.424 8.463 1.00 0.00 C ATOM 1145 CD GLU A 985 5.600 -14.504 9.069 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.620 -14.168 9.707 1.00 0.00 O ATOM 1147 OE2 GLU A 985 5.251 -15.693 8.931 1.00 0.00 O ATOM 0 H GLU A 985 3.932 -12.873 5.794 1.00 0.00 H new ATOM 0 HA GLU A 985 3.971 -10.940 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 985 6.010 -12.960 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 985 6.280 -11.970 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 985 4.213 -12.891 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 985 3.959 -13.890 7.845 1.00 0.00 H new ATOM 1154 N MET A 986 6.169 -10.513 5.375 1.00 0.00 N ATOM 1155 CA MET A 986 7.112 -9.585 4.781 1.00 0.00 C ATOM 1156 C MET A 986 6.378 -8.424 4.105 1.00 0.00 C ATOM 1157 O MET A 986 6.762 -7.264 4.230 1.00 0.00 O ATOM 1158 CB MET A 986 8.000 -10.327 3.773 1.00 0.00 C ATOM 1159 CG MET A 986 8.950 -9.421 3.010 1.00 0.00 C ATOM 1160 SD MET A 986 10.054 -10.335 1.914 1.00 0.00 S ATOM 1161 CE MET A 986 8.871 -11.168 0.851 1.00 0.00 C ATOM 0 H MET A 986 6.077 -11.397 4.875 1.00 0.00 H new ATOM 0 HA MET A 986 7.741 -9.168 5.567 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.580 -11.083 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.364 -10.853 3.061 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.372 -8.707 2.424 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.544 -8.845 3.719 1.00 0.00 H new ATOM 0 HE1 MET A 986 9.372 -11.506 -0.056 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.452 -12.027 1.376 1.00 0.00 H new ATOM 0 HE3 MET A 986 8.070 -10.478 0.587 1.00 0.00 H new ATOM 1171 N ALA A 987 5.304 -8.774 3.401 1.00 0.00 N ATOM 1172 CA ALA A 987 4.558 -7.841 2.562 1.00 0.00 C ATOM 1173 C ALA A 987 3.828 -6.787 3.380 1.00 0.00 C ATOM 1174 O ALA A 987 3.940 -5.592 3.097 1.00 0.00 O ATOM 1175 CB ALA A 987 3.572 -8.606 1.699 1.00 0.00 C ATOM 0 H ALA A 987 4.924 -9.721 3.397 1.00 0.00 H new ATOM 0 HA ALA A 987 5.276 -7.318 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.017 -7.907 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.112 -9.309 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.878 -9.153 2.337 1.00 0.00 H new ATOM 1181 N GLN A 988 3.078 -7.229 4.388 1.00 0.00 N ATOM 1182 CA GLN A 988 2.403 -6.293 5.284 1.00 0.00 C ATOM 1183 C GLN A 988 3.410 -5.320 5.865 1.00 0.00 C ATOM 1184 O GLN A 988 3.161 -4.119 5.911 1.00 0.00 O ATOM 1185 CB GLN A 988 1.714 -7.019 6.440 1.00 0.00 C ATOM 1186 CG GLN A 988 0.554 -7.899 6.027 1.00 0.00 C ATOM 1187 CD GLN A 988 -0.230 -8.411 7.217 1.00 0.00 C ATOM 1188 OE1 GLN A 988 0.064 -9.466 7.773 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -1.226 -7.649 7.629 1.00 0.00 N ATOM 0 H GLN A 988 2.924 -8.214 4.603 1.00 0.00 H new ATOM 0 HA GLN A 988 1.650 -5.765 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 988 2.452 -7.632 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 988 1.355 -6.279 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -0.111 -7.336 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 988 0.929 -8.745 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.439 -6.779 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -1.783 -7.930 8.436 1.00 0.00 H new ATOM 1198 N LYS A 989 4.553 -5.851 6.276 1.00 0.00 N ATOM 1199 CA LYS A 989 5.641 -5.049 6.816 1.00 0.00 C ATOM 1200 C LYS A 989 6.207 -4.076 5.779 1.00 0.00 C ATOM 1201 O LYS A 989 6.536 -2.932 6.098 1.00 0.00 O ATOM 1202 CB LYS A 989 6.740 -5.982 7.306 1.00 0.00 C ATOM 1203 CG LYS A 989 8.150 -5.528 6.972 1.00 0.00 C ATOM 1204 CD LYS A 989 9.183 -6.518 7.477 1.00 0.00 C ATOM 1205 CE LYS A 989 9.558 -6.277 8.939 1.00 0.00 C ATOM 1206 NZ LYS A 989 8.399 -6.388 9.870 1.00 0.00 N ATOM 0 H LYS A 989 4.752 -6.851 6.244 1.00 0.00 H new ATOM 0 HA LYS A 989 5.251 -4.451 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 989 6.653 -6.088 8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.579 -6.970 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 989 8.251 -5.413 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 989 8.334 -4.549 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.795 -7.531 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 989 10.079 -6.451 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.323 -6.996 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 989 9.999 -5.285 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 8.746 -6.520 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 7.829 -5.519 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 7.812 -7.203 9.598 1.00 0.00 H new ATOM 1220 N LEU A 990 6.368 -4.560 4.552 1.00 0.00 N ATOM 1221 CA LEU A 990 6.893 -3.742 3.472 1.00 0.00 C ATOM 1222 C LEU A 990 6.138 -2.416 3.326 1.00 0.00 C ATOM 1223 O LEU A 990 6.732 -1.342 3.443 1.00 0.00 O ATOM 1224 CB LEU A 990 6.828 -4.518 2.168 1.00 0.00 C ATOM 1225 CG LEU A 990 7.193 -3.690 0.958 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.691 -3.425 0.928 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.731 -4.373 -0.318 1.00 0.00 C ATOM 0 H LEU A 990 6.141 -5.517 4.283 1.00 0.00 H new ATOM 0 HA LEU A 990 7.928 -3.501 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.500 -5.374 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.820 -4.913 2.038 1.00 0.00 H new ATOM 0 HG LEU A 990 6.681 -2.730 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 990 8.937 -2.827 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.983 -2.885 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.227 -4.373 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 990 7.003 -3.761 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.209 -5.349 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.649 -4.500 -0.291 1.00 0.00 H new ATOM 1239 N LEU A 991 4.834 -2.498 3.081 1.00 0.00 N ATOM 1240 CA LEU A 991 3.997 -1.304 2.961 1.00 0.00 C ATOM 1241 C LEU A 991 3.994 -0.568 4.291 1.00 0.00 C ATOM 1242 O LEU A 991 4.001 0.660 4.350 1.00 0.00 O ATOM 1243 CB LEU A 991 2.566 -1.715 2.598 1.00 0.00 C ATOM 1244 CG LEU A 991 1.735 -0.697 1.804 1.00 0.00 C ATOM 1245 CD1 LEU A 991 1.340 0.488 2.665 1.00 0.00 C ATOM 1246 CD2 LEU A 991 2.497 -0.227 0.580 1.00 0.00 C ATOM 0 H LEU A 991 4.332 -3.378 2.961 1.00 0.00 H new ATOM 0 HA LEU A 991 4.391 -0.653 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.614 -2.639 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.033 -1.943 3.521 1.00 0.00 H new ATOM 0 HG LEU A 991 0.822 -1.196 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.753 1.189 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 991 0.746 0.141 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.237 0.986 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 991 1.892 0.494 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 991 3.430 0.244 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.717 -1.080 -0.061 1.00 0.00 H new ATOM 1258 N ASN A 992 4.028 -1.366 5.342 1.00 0.00 N ATOM 1259 CA ASN A 992 3.963 -0.910 6.723 1.00 0.00 C ATOM 1260 C ASN A 992 4.964 0.206 7.025 1.00 0.00 C ATOM 1261 O ASN A 992 4.586 1.280 7.496 1.00 0.00 O ATOM 1262 CB ASN A 992 4.246 -2.111 7.610 1.00 0.00 C ATOM 1263 CG ASN A 992 4.242 -1.810 9.092 1.00 0.00 C ATOM 1264 OD1 ASN A 992 5.255 -1.411 9.664 1.00 0.00 O ATOM 1265 ND2 ASN A 992 3.104 -2.041 9.732 1.00 0.00 N ATOM 0 H ASN A 992 4.104 -2.380 5.259 1.00 0.00 H new ATOM 0 HA ASN A 992 2.974 -0.492 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.502 -2.881 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 992 5.217 -2.526 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 992 3.045 -1.888 10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.288 -2.372 9.218 1.00 0.00 H new ATOM 1272 N SER A 993 6.235 -0.037 6.762 1.00 0.00 N ATOM 1273 CA SER A 993 7.250 0.961 7.060 1.00 0.00 C ATOM 1274 C SER A 993 7.280 2.078 6.014 1.00 0.00 C ATOM 1275 O SER A 993 7.609 3.217 6.348 1.00 0.00 O ATOM 1276 CB SER A 993 8.625 0.308 7.204 1.00 0.00 C ATOM 1277 OG SER A 993 8.555 -0.857 8.013 1.00 0.00 O ATOM 0 H SER A 993 6.587 -0.901 6.350 1.00 0.00 H new ATOM 0 HA SER A 993 6.985 1.421 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 993 9.013 0.048 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.324 1.019 7.644 1.00 0.00 H new ATOM 0 HG SER A 993 9.446 -1.257 8.088 1.00 0.00 H new ATOM 1283 N ASP A 994 6.931 1.791 4.769 1.00 0.00 N ATOM 1284 CA ASP A 994 6.954 2.856 3.765 1.00 0.00 C ATOM 1285 C ASP A 994 5.787 3.831 3.948 1.00 0.00 C ATOM 1286 O ASP A 994 5.920 5.022 3.691 1.00 0.00 O ATOM 1287 CB ASP A 994 7.012 2.315 2.344 1.00 0.00 C ATOM 1288 CG ASP A 994 8.272 2.782 1.640 1.00 0.00 C ATOM 1289 OD1 ASP A 994 9.316 2.101 1.767 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.244 3.845 0.988 1.00 0.00 O ATOM 0 H ASP A 994 6.640 0.873 4.434 1.00 0.00 H new ATOM 0 HA ASP A 994 7.877 3.413 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.984 1.226 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.135 2.647 1.788 1.00 0.00 H new ATOM 1295 N LEU A 995 4.641 3.322 4.394 1.00 0.00 N ATOM 1296 CA LEU A 995 3.528 4.172 4.820 1.00 0.00 C ATOM 1297 C LEU A 995 3.906 4.912 6.092 1.00 0.00 C ATOM 1298 O LEU A 995 3.319 5.945 6.396 1.00 0.00 O ATOM 1299 CB LEU A 995 2.235 3.368 5.022 1.00 0.00 C ATOM 1300 CG LEU A 995 2.156 2.558 6.325 1.00 0.00 C ATOM 1301 CD1 LEU A 995 1.433 3.337 7.416 1.00 0.00 C ATOM 1302 CD2 LEU A 995 1.479 1.220 6.091 1.00 0.00 C ATOM 0 H LEU A 995 4.457 2.322 4.471 1.00 0.00 H new ATOM 0 HA LEU A 995 3.332 4.894 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.391 4.057 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 995 2.118 2.684 4.182 1.00 0.00 H new ATOM 0 HG LEU A 995 3.176 2.374 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.393 2.738 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.969 4.265 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 995 0.419 3.567 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.435 0.665 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.468 1.384 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.047 0.648 5.357 1.00 0.00 H new ATOM 1314 N ALA A 996 4.907 4.441 6.810 1.00 0.00 N ATOM 1315 CA ALA A 996 5.449 5.248 7.904 1.00 0.00 C ATOM 1316 C ALA A 996 6.368 6.344 7.347 1.00 0.00 C ATOM 1317 O ALA A 996 6.526 7.399 7.963 1.00 0.00 O ATOM 1318 CB ALA A 996 6.153 4.395 8.949 1.00 0.00 C ATOM 0 H ALA A 996 5.355 3.535 6.669 1.00 0.00 H new ATOM 0 HA ALA A 996 4.615 5.728 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 996 6.539 5.036 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 996 5.446 3.681 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.978 3.857 8.483 1.00 0.00 H new ATOM 1324 N GLU A 997 6.917 6.130 6.158 1.00 0.00 N ATOM 1325 CA GLU A 997 7.659 7.176 5.453 1.00 0.00 C ATOM 1326 C GLU A 997 6.672 8.193 4.895 1.00 0.00 C ATOM 1327 O GLU A 997 6.868 9.406 5.017 1.00 0.00 O ATOM 1328 CB GLU A 997 8.481 6.572 4.308 1.00 0.00 C ATOM 1329 CG GLU A 997 9.193 7.598 3.433 1.00 0.00 C ATOM 1330 CD GLU A 997 10.439 8.173 4.073 1.00 0.00 C ATOM 1331 OE1 GLU A 997 11.489 7.495 4.055 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.388 9.314 4.575 1.00 0.00 O ATOM 0 H GLU A 997 6.864 5.242 5.659 1.00 0.00 H new ATOM 0 HA GLU A 997 8.342 7.662 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.223 5.894 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.821 5.973 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.462 7.132 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.503 8.410 3.204 1.00 0.00 H new ATOM 1339 N LEU A 998 5.592 7.682 4.310 1.00 0.00 N ATOM 1340 CA LEU A 998 4.570 8.528 3.720 1.00 0.00 C ATOM 1341 C LEU A 998 4.008 9.506 4.739 1.00 0.00 C ATOM 1342 O LEU A 998 3.930 10.710 4.486 1.00 0.00 O ATOM 1343 CB LEU A 998 3.415 7.689 3.173 1.00 0.00 C ATOM 1344 CG LEU A 998 2.092 8.452 3.044 1.00 0.00 C ATOM 1345 CD1 LEU A 998 2.136 9.383 1.854 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.910 7.508 2.944 1.00 0.00 C ATOM 0 H LEU A 998 5.406 6.682 4.234 1.00 0.00 H new ATOM 0 HA LEU A 998 5.046 9.079 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.695 7.300 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.264 6.829 3.826 1.00 0.00 H new ATOM 0 HG LEU A 998 1.960 9.046 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.190 9.918 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.948 10.099 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.302 8.804 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.010 8.085 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.026 6.871 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.863 6.888 3.839 1.00 0.00 H new ATOM 1358 N ILE A 999 3.662 8.985 5.906 1.00 0.00 N ATOM 1359 CA ILE A 999 2.942 9.764 6.899 1.00 0.00 C ATOM 1360 C ILE A 999 3.808 10.870 7.488 1.00 0.00 C ATOM 1361 O ILE A 999 3.326 11.975 7.714 1.00 0.00 O ATOM 1362 CB ILE A 999 2.367 8.867 8.020 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.289 7.935 7.442 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.790 9.715 9.146 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.680 6.994 8.462 1.00 0.00 C ATOM 0 H ILE A 999 3.868 8.027 6.188 1.00 0.00 H new ATOM 0 HA ILE A 999 2.106 10.235 6.382 1.00 0.00 H new ATOM 0 HB ILE A 999 3.174 8.262 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.497 8.541 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.726 7.347 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.391 9.064 9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.575 10.344 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.991 10.345 8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.071 6.370 7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.460 6.361 8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.212 7.573 9.258 1.00 0.00 H new ATOM 1377 N ASN A1000 5.088 10.595 7.706 1.00 0.00 N ATOM 1378 CA ASN A1000 5.986 11.609 8.260 1.00 0.00 C ATOM 1379 C ASN A1000 6.122 12.814 7.325 1.00 0.00 C ATOM 1380 O ASN A1000 6.219 13.956 7.776 1.00 0.00 O ATOM 1381 CB ASN A1000 7.374 11.020 8.545 1.00 0.00 C ATOM 1382 CG ASN A1000 7.462 10.332 9.896 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.726 10.975 10.912 1.00 0.00 O ATOM 1384 ND2 ASN A1000 7.267 9.026 9.921 1.00 0.00 N ATOM 0 H ASN A1000 5.526 9.694 7.512 1.00 0.00 H new ATOM 0 HA ASN A1000 5.543 11.947 9.197 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.626 10.305 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.117 11.817 8.500 1.00 0.00 H new ATOM 0 HD21 ASN A1000 7.333 8.517 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A1000 7.050 8.526 9.059 1.00 0.00 H new ATOM 1391 N LYS A1001 6.103 12.555 6.026 1.00 0.00 N ATOM 1392 CA LYS A1001 6.321 13.601 5.029 1.00 0.00 C ATOM 1393 C LYS A1001 5.025 14.323 4.713 1.00 0.00 C ATOM 1394 O LYS A1001 4.988 15.550 4.593 1.00 0.00 O ATOM 1395 CB LYS A1001 6.948 13.018 3.758 1.00 0.00 C ATOM 1396 CG LYS A1001 8.471 13.033 3.767 1.00 0.00 C ATOM 1397 CD LYS A1001 9.043 12.354 5.002 1.00 0.00 C ATOM 1398 CE LYS A1001 10.554 12.504 5.069 1.00 0.00 C ATOM 1399 NZ LYS A1001 11.237 11.804 3.950 1.00 0.00 N ATOM 0 H LYS A1001 5.939 11.628 5.634 1.00 0.00 H new ATOM 0 HA LYS A1001 7.018 14.328 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.604 11.992 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.593 13.582 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.843 12.532 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.823 14.064 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.593 12.785 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.781 11.296 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.814 13.562 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.915 12.108 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 12.236 11.652 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 10.778 10.886 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 11.175 12.384 3.089 1.00 0.00 H new ATOM 1413 N MET A1002 3.951 13.558 4.632 1.00 0.00 N ATOM 1414 CA MET A1002 2.636 14.122 4.389 1.00 0.00 C ATOM 1415 C MET A1002 2.281 15.048 5.547 1.00 0.00 C ATOM 1416 O MET A1002 1.546 16.035 5.403 1.00 0.00 O ATOM 1417 CB MET A1002 1.594 12.998 4.258 1.00 0.00 C ATOM 1418 CG MET A1002 1.129 12.382 5.566 1.00 0.00 C ATOM 1419 SD MET A1002 0.379 10.754 5.336 1.00 0.00 S ATOM 1420 CE MET A1002 -0.724 11.063 3.963 1.00 0.00 C ATOM 0 H MET A1002 3.964 12.543 4.731 1.00 0.00 H new ATOM 0 HA MET A1002 2.641 14.688 3.458 1.00 0.00 H new ATOM 0 HB2 MET A1002 0.724 13.392 3.733 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.013 12.209 3.634 1.00 0.00 H new ATOM 0 HG2 MET A1002 1.977 12.295 6.245 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.408 13.047 6.041 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.677 10.566 4.143 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.888 12.136 3.862 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.280 10.676 3.046 1.00 0.00 H new ATOM 1430 N LYS A1003 2.873 14.732 6.700 1.00 0.00 N ATOM 1431 CA LYS A1003 2.525 15.364 7.947 1.00 0.00 C ATOM 1432 C LYS A1003 3.076 16.783 8.000 1.00 0.00 C ATOM 1433 O LYS A1003 2.345 17.742 8.222 1.00 0.00 O ATOM 1434 CB LYS A1003 3.090 14.564 9.121 1.00 0.00 C ATOM 1435 CG LYS A1003 2.150 14.447 10.309 1.00 0.00 C ATOM 1436 CD LYS A1003 1.023 13.464 10.031 1.00 0.00 C ATOM 1437 CE LYS A1003 0.079 13.350 11.217 1.00 0.00 C ATOM 1438 NZ LYS A1003 -1.048 12.418 10.949 1.00 0.00 N ATOM 0 H LYS A1003 3.607 14.028 6.782 1.00 0.00 H new ATOM 0 HA LYS A1003 1.438 15.398 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.344 13.562 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.017 15.032 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.709 14.123 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A1003 1.732 15.426 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.466 13.786 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.442 12.484 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A1003 0.634 13.005 12.089 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -0.317 14.336 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -1.230 11.841 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -1.901 12.964 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -0.802 11.796 10.152 1.00 0.00 H new ATOM 1452 N LEU A1004 4.377 16.903 7.777 1.00 0.00 N ATOM 1453 CA LEU A1004 5.050 18.196 7.771 1.00 0.00 C ATOM 1454 C LEU A1004 4.652 19.040 6.570 1.00 0.00 C ATOM 1455 O LEU A1004 4.904 20.242 6.556 1.00 0.00 O ATOM 1456 CB LEU A1004 6.568 18.016 7.816 1.00 0.00 C ATOM 1457 CG LEU A1004 7.144 17.658 9.189 1.00 0.00 C ATOM 1458 CD1 LEU A1004 8.363 16.764 9.049 1.00 0.00 C ATOM 1459 CD2 LEU A1004 7.512 18.924 9.941 1.00 0.00 C ATOM 0 H LEU A1004 4.994 16.111 7.596 1.00 0.00 H new ATOM 0 HA LEU A1004 4.731 18.729 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.846 17.235 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.037 18.938 7.473 1.00 0.00 H new ATOM 0 HG LEU A1004 6.384 17.114 9.749 1.00 0.00 H new ATOM 0 HD11 LEU A1004 8.754 16.524 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A1004 8.082 15.844 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A1004 9.129 17.282 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A1004 7.921 18.662 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A1004 8.257 19.481 9.373 1.00 0.00 H new ATOM 0 HD23 LEU A1004 6.622 19.540 10.074 1.00 0.00 H new ATOM 1471 N ALA A1005 3.991 18.451 5.585 1.00 0.00 N ATOM 1472 CA ALA A1005 3.621 19.225 4.417 1.00 0.00 C ATOM 1473 C ALA A1005 2.447 20.106 4.775 1.00 0.00 C ATOM 1474 O ALA A1005 2.388 21.244 4.359 1.00 0.00 O ATOM 1475 CB ALA A1005 3.315 18.343 3.216 1.00 0.00 C ATOM 0 H ALA A1005 3.708 17.471 5.571 1.00 0.00 H new ATOM 0 HA ALA A1005 4.467 19.846 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.043 18.968 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.196 17.752 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.487 17.676 3.456 1.00 0.00 H new ATOM 1481 N GLN A1006 1.525 19.587 5.564 1.00 0.00 N ATOM 1482 CA GLN A1006 0.464 20.419 6.119 1.00 0.00 C ATOM 1483 C GLN A1006 0.992 21.308 7.239 1.00 0.00 C ATOM 1484 O GLN A1006 0.581 22.472 7.339 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.727 19.581 6.590 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.419 18.572 7.691 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.727 19.085 9.094 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -0.661 20.279 9.369 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -1.054 18.175 9.998 1.00 0.00 N ATOM 0 H GLN A1006 1.485 18.605 5.835 1.00 0.00 H new ATOM 0 HA GLN A1006 0.106 21.066 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.507 20.255 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.135 19.045 5.733 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.994 17.664 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.635 18.298 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.100 17.190 9.737 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.260 18.459 10.956 1.00 0.00 H new ATOM 1498 N GLN A1007 1.921 20.797 8.044 1.00 0.00 N ATOM 1499 CA GLN A1007 2.508 21.584 9.126 1.00 0.00 C ATOM 1500 C GLN A1007 2.970 22.952 8.629 1.00 0.00 C ATOM 1501 O GLN A1007 2.731 23.974 9.271 1.00 0.00 O ATOM 1502 CB GLN A1007 3.650 20.814 9.785 1.00 0.00 C ATOM 1503 CG GLN A1007 3.131 19.664 10.633 1.00 0.00 C ATOM 1504 CD GLN A1007 4.149 19.139 11.620 1.00 0.00 C ATOM 1505 OE1 GLN A1007 4.884 18.200 11.335 1.00 0.00 O ATOM 1506 NE2 GLN A1007 4.201 19.752 12.791 1.00 0.00 N ATOM 0 H GLN A1007 2.282 19.846 7.968 1.00 0.00 H new ATOM 0 HA GLN A1007 1.739 21.758 9.878 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.320 20.428 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.235 21.491 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.245 19.994 11.176 1.00 0.00 H new ATOM 0 HG3 GLN A1007 2.818 18.851 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A1007 3.571 20.530 12.988 1.00 0.00 H new ATOM 0 HE22 GLN A1007 4.871 19.447 13.497 1.00 0.00 H new ATOM 1515 N TYR A1008 3.610 22.978 7.472 1.00 0.00 N ATOM 1516 CA TYR A1008 3.879 24.241 6.808 1.00 0.00 C ATOM 1517 C TYR A1008 3.355 24.224 5.380 1.00 0.00 C ATOM 1518 O TYR A1008 4.032 24.657 4.443 1.00 0.00 O ATOM 1519 CB TYR A1008 5.363 24.603 6.865 1.00 0.00 C ATOM 1520 CG TYR A1008 5.773 25.173 8.203 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.120 24.342 9.262 1.00 0.00 C ATOM 1522 CD2 TYR A1008 5.784 26.544 8.417 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.463 24.863 10.493 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.132 27.074 9.643 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.469 26.231 10.677 1.00 0.00 C ATOM 1526 OH TYR A1008 6.795 26.757 11.908 1.00 0.00 O ATOM 0 H TYR A1008 3.949 22.152 6.979 1.00 0.00 H new ATOM 0 HA TYR A1008 3.344 25.023 7.347 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.958 23.714 6.656 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.586 25.328 6.082 1.00 0.00 H new ATOM 0 HD1 TYR A1008 6.121 23.271 9.119 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.515 27.209 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A1008 6.725 24.204 11.308 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.140 28.144 9.790 1.00 0.00 H new ATOM 0 HH TYR A1008 6.752 27.735 11.867 1.00 0.00 H new ATOM 1536 N VAL A1009 2.126 23.715 5.234 1.00 0.00 N ATOM 1537 CA VAL A1009 1.376 23.765 3.976 1.00 0.00 C ATOM 1538 C VAL A1009 1.302 25.185 3.455 1.00 0.00 C ATOM 1539 O VAL A1009 1.039 25.431 2.278 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.054 23.216 4.177 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.893 24.167 5.021 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.727 22.931 2.848 1.00 0.00 C ATOM 0 H VAL A1009 1.622 23.254 5.991 1.00 0.00 H new ATOM 0 HA VAL A1009 1.899 23.145 3.248 1.00 0.00 H new ATOM 0 HB VAL A1009 0.028 22.272 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.894 23.755 5.146 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.428 24.293 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.958 25.134 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.731 22.546 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.788 23.851 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.146 22.191 2.297 1.00 0.00 H new ATOM 1552 N MET A1010 1.520 26.108 4.371 1.00 0.00 N ATOM 1553 CA MET A1010 1.610 27.520 4.051 1.00 0.00 C ATOM 1554 C MET A1010 2.545 27.779 2.867 1.00 0.00 C ATOM 1555 O MET A1010 2.217 28.592 2.005 1.00 0.00 O ATOM 1556 CB MET A1010 2.064 28.298 5.288 1.00 0.00 C ATOM 1557 CG MET A1010 0.988 28.394 6.360 1.00 0.00 C ATOM 1558 SD MET A1010 1.598 29.068 7.917 1.00 0.00 S ATOM 1559 CE MET A1010 2.591 27.703 8.511 1.00 0.00 C ATOM 0 H MET A1010 1.640 25.899 5.362 1.00 0.00 H new ATOM 0 HA MET A1010 0.621 27.866 3.752 1.00 0.00 H new ATOM 0 HB2 MET A1010 2.946 27.816 5.709 1.00 0.00 H new ATOM 0 HB3 MET A1010 2.362 29.303 4.989 1.00 0.00 H new ATOM 0 HG2 MET A1010 0.174 29.020 5.994 1.00 0.00 H new ATOM 0 HG3 MET A1010 0.572 27.402 6.538 1.00 0.00 H new ATOM 0 HE1 MET A1010 3.278 28.060 9.278 1.00 0.00 H new ATOM 0 HE2 MET A1010 1.941 26.937 8.934 1.00 0.00 H new ATOM 0 HE3 MET A1010 3.160 27.279 7.683 1.00 0.00 H new ATOM 1569 N THR A1011 3.687 27.076 2.796 1.00 0.00 N ATOM 1570 CA THR A1011 4.635 27.289 1.690 1.00 0.00 C ATOM 1571 C THR A1011 5.629 26.131 1.477 1.00 0.00 C ATOM 1572 O THR A1011 5.338 25.132 0.788 1.00 0.00 O ATOM 1573 CB THR A1011 5.461 28.585 1.885 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.708 28.805 3.284 1.00 0.00 O ATOM 1575 CG2 THR A1011 4.775 29.801 1.276 1.00 0.00 C ATOM 0 H THR A1011 3.972 26.370 3.475 1.00 0.00 H new ATOM 0 HA THR A1011 3.998 27.360 0.809 1.00 0.00 H new ATOM 0 HB THR A1011 6.408 28.451 1.363 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.232 29.625 3.399 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.391 30.685 1.438 1.00 0.00 H new ATOM 0 HG22 THR A1011 4.639 29.644 0.206 1.00 0.00 H new ATOM 0 HG23 THR A1011 3.803 29.945 1.748 1.00 0.00 H new ATOM 1583 N SER A1012 6.798 26.284 2.099 1.00 0.00 N ATOM 1584 CA SER A1012 7.994 25.522 1.760 1.00 0.00 C ATOM 1585 C SER A1012 7.805 24.013 1.905 1.00 0.00 C ATOM 1586 O SER A1012 7.920 23.276 0.915 1.00 0.00 O ATOM 1587 CB SER A1012 9.158 25.991 2.629 1.00 0.00 C ATOM 1588 OG SER A1012 9.203 27.409 2.695 1.00 0.00 O ATOM 0 H SER A1012 6.940 26.948 2.860 1.00 0.00 H new ATOM 0 HA SER A1012 8.207 25.707 0.707 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.056 25.579 3.633 1.00 0.00 H new ATOM 0 HB3 SER A1012 10.096 25.612 2.223 1.00 0.00 H new ATOM 0 HG SER A1012 9.955 27.687 3.258 1.00 0.00 H new ATOM 1594 N LEU A1013 7.534 23.547 3.129 1.00 0.00 N ATOM 1595 CA LEU A1013 7.367 22.119 3.367 1.00 0.00 C ATOM 1596 C LEU A1013 6.342 21.543 2.439 1.00 0.00 C ATOM 1597 O LEU A1013 6.514 20.439 1.942 1.00 0.00 O ATOM 1598 CB LEU A1013 6.907 21.810 4.790 1.00 0.00 C ATOM 1599 CG LEU A1013 7.714 22.482 5.907 1.00 0.00 C ATOM 1600 CD1 LEU A1013 7.377 21.876 7.258 1.00 0.00 C ATOM 1601 CD2 LEU A1013 9.206 22.367 5.639 1.00 0.00 C ATOM 0 H LEU A1013 7.428 24.133 3.957 1.00 0.00 H new ATOM 0 HA LEU A1013 8.349 21.676 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.864 22.110 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.944 20.731 4.938 1.00 0.00 H new ATOM 0 HG LEU A1013 7.444 23.538 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A1013 7.962 22.369 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A1013 6.315 22.012 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A1013 7.612 20.812 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.759 22.851 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A1013 9.486 21.315 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A1013 9.444 22.853 4.693 1.00 0.00 H new ATOM 1613 N GLN A1014 5.301 22.314 2.178 1.00 0.00 N ATOM 1614 CA GLN A1014 4.123 21.783 1.541 1.00 0.00 C ATOM 1615 C GLN A1014 4.482 21.076 0.246 1.00 0.00 C ATOM 1616 O GLN A1014 4.175 19.907 0.056 1.00 0.00 O ATOM 1617 CB GLN A1014 3.133 22.897 1.254 1.00 0.00 C ATOM 1618 CG GLN A1014 2.045 22.475 0.287 1.00 0.00 C ATOM 1619 CD GLN A1014 1.797 23.485 -0.816 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.671 23.644 -1.285 1.00 0.00 O ATOM 1621 NE2 GLN A1014 2.853 24.151 -1.272 1.00 0.00 N ATOM 0 H GLN A1014 5.254 23.308 2.400 1.00 0.00 H new ATOM 0 HA GLN A1014 3.668 21.062 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.677 23.222 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.666 23.755 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.317 21.519 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.119 22.317 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.772 23.994 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.744 24.819 -2.035 1.00 0.00 H new ATOM 1630 N GLN A1015 5.176 21.802 -0.628 1.00 0.00 N ATOM 1631 CA GLN A1015 5.505 21.278 -1.951 1.00 0.00 C ATOM 1632 C GLN A1015 6.556 20.158 -1.877 1.00 0.00 C ATOM 1633 O GLN A1015 6.419 19.130 -2.540 1.00 0.00 O ATOM 1634 CB GLN A1015 5.965 22.403 -2.881 1.00 0.00 C ATOM 1635 CG GLN A1015 7.076 23.263 -2.304 1.00 0.00 C ATOM 1636 CD GLN A1015 7.476 24.404 -3.220 1.00 0.00 C ATOM 1637 OE1 GLN A1015 8.629 24.828 -3.229 1.00 0.00 O ATOM 1638 NE2 GLN A1015 6.530 24.910 -3.995 1.00 0.00 N ATOM 0 H GLN A1015 5.518 22.746 -0.447 1.00 0.00 H new ATOM 0 HA GLN A1015 4.597 20.841 -2.365 1.00 0.00 H new ATOM 0 HB2 GLN A1015 6.306 21.968 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A1015 5.111 23.039 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.753 23.669 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.948 22.638 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN A1015 5.584 24.531 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A1015 6.747 25.679 -4.629 1.00 0.00 H new ATOM 1647 N GLU A1016 7.577 20.346 -1.048 1.00 0.00 N ATOM 1648 CA GLU A1016 8.654 19.360 -0.900 1.00 0.00 C ATOM 1649 C GLU A1016 8.137 18.069 -0.257 1.00 0.00 C ATOM 1650 O GLU A1016 8.307 16.969 -0.790 1.00 0.00 O ATOM 1651 CB GLU A1016 9.764 19.949 -0.025 1.00 0.00 C ATOM 1652 CG GLU A1016 11.001 19.073 0.063 1.00 0.00 C ATOM 1653 CD GLU A1016 11.989 19.552 1.108 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.647 20.591 0.885 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.124 18.884 2.151 1.00 0.00 O ATOM 0 H GLU A1016 7.686 21.175 -0.463 1.00 0.00 H new ATOM 0 HA GLU A1016 9.040 19.122 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.048 20.924 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.374 20.114 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.701 18.051 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.492 19.048 -0.910 1.00 0.00 H new ATOM 1662 N TYR A1017 7.506 18.228 0.885 1.00 0.00 N ATOM 1663 CA TYR A1017 7.000 17.127 1.686 1.00 0.00 C ATOM 1664 C TYR A1017 5.930 16.300 0.988 1.00 0.00 C ATOM 1665 O TYR A1017 5.832 15.097 1.182 1.00 0.00 O ATOM 1666 CB TYR A1017 6.430 17.723 2.954 1.00 0.00 C ATOM 1667 CG TYR A1017 7.517 17.808 4.001 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.842 16.701 4.773 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.253 18.967 4.185 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.860 16.752 5.702 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.278 19.025 5.108 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.577 17.917 5.866 1.00 0.00 C ATOM 1673 OH TYR A1017 10.596 17.969 6.789 1.00 0.00 O ATOM 0 H TYR A1017 7.325 19.144 1.295 1.00 0.00 H new ATOM 0 HA TYR A1017 7.825 16.441 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.025 18.715 2.753 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.606 17.110 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.288 15.783 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.021 19.842 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.094 15.883 6.298 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.843 19.937 5.234 1.00 0.00 H new ATOM 0 HH TYR A1017 11.001 18.861 6.779 1.00 0.00 H new ATOM 1683 N LYS A1018 5.121 16.992 0.181 1.00 0.00 N ATOM 1684 CA LYS A1018 3.981 16.407 -0.518 1.00 0.00 C ATOM 1685 C LYS A1018 4.450 15.651 -1.746 1.00 0.00 C ATOM 1686 O LYS A1018 3.839 14.666 -2.157 1.00 0.00 O ATOM 1687 CB LYS A1018 2.993 17.502 -0.935 1.00 0.00 C ATOM 1688 CG LYS A1018 1.823 17.009 -1.775 1.00 0.00 C ATOM 1689 CD LYS A1018 0.824 16.205 -0.959 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.294 15.670 -1.836 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.350 14.976 -1.049 1.00 0.00 N ATOM 0 H LYS A1018 5.244 17.987 -0.005 1.00 0.00 H new ATOM 0 HA LYS A1018 3.481 15.715 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.603 17.983 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.532 18.265 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A1018 1.317 17.863 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.199 16.394 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.334 15.376 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.405 16.832 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.742 16.494 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A1018 0.122 14.979 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.884 14.338 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -0.908 14.425 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.996 15.680 -0.639 1.00 0.00 H new ATOM 1705 N LYS A1019 5.531 16.118 -2.343 1.00 0.00 N ATOM 1706 CA LYS A1019 6.115 15.399 -3.461 1.00 0.00 C ATOM 1707 C LYS A1019 6.775 14.137 -2.941 1.00 0.00 C ATOM 1708 O LYS A1019 6.627 13.067 -3.519 1.00 0.00 O ATOM 1709 CB LYS A1019 7.091 16.277 -4.247 1.00 0.00 C ATOM 1710 CG LYS A1019 6.450 16.966 -5.448 1.00 0.00 C ATOM 1711 CD LYS A1019 5.142 17.648 -5.078 1.00 0.00 C ATOM 1712 CE LYS A1019 4.572 18.444 -6.243 1.00 0.00 C ATOM 1713 NZ LYS A1019 4.178 17.577 -7.389 1.00 0.00 N ATOM 0 H LYS A1019 6.016 16.976 -2.079 1.00 0.00 H new ATOM 0 HA LYS A1019 5.329 15.122 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A1019 7.505 17.034 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.924 15.664 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A1019 7.142 17.703 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A1019 6.268 16.232 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.418 16.898 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A1019 5.305 18.312 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.703 19.008 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A1019 5.312 19.170 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.750 18.161 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.020 17.096 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.489 16.867 -7.067 1.00 0.00 H new ATOM 1727 N GLN A1020 7.471 14.271 -1.827 1.00 0.00 N ATOM 1728 CA GLN A1020 7.861 13.127 -1.014 1.00 0.00 C ATOM 1729 C GLN A1020 6.636 12.315 -0.611 1.00 0.00 C ATOM 1730 O GLN A1020 6.699 11.093 -0.558 1.00 0.00 O ATOM 1731 CB GLN A1020 8.582 13.600 0.246 1.00 0.00 C ATOM 1732 CG GLN A1020 9.962 14.175 -0.009 1.00 0.00 C ATOM 1733 CD GLN A1020 10.615 14.687 1.258 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.287 13.942 1.968 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.414 15.963 1.553 1.00 0.00 N ATOM 0 H GLN A1020 7.782 15.170 -1.459 1.00 0.00 H new ATOM 0 HA GLN A1020 8.528 12.501 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A1020 7.971 14.356 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.671 12.762 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A1020 10.595 13.409 -0.457 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.886 14.989 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.849 16.546 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.824 16.362 2.397 1.00 0.00 H new ATOM 1744 N MET A1021 5.524 12.986 -0.347 1.00 0.00 N ATOM 1745 CA MET A1021 4.320 12.311 0.107 1.00 0.00 C ATOM 1746 C MET A1021 3.755 11.421 -0.986 1.00 0.00 C ATOM 1747 O MET A1021 3.535 10.237 -0.768 1.00 0.00 O ATOM 1748 CB MET A1021 3.270 13.326 0.571 1.00 0.00 C ATOM 1749 CG MET A1021 1.925 12.718 0.945 1.00 0.00 C ATOM 1750 SD MET A1021 0.781 12.687 -0.453 1.00 0.00 S ATOM 1751 CE MET A1021 0.209 10.989 -0.411 1.00 0.00 C ATOM 0 H MET A1021 5.432 13.998 -0.440 1.00 0.00 H new ATOM 0 HA MET A1021 4.586 11.681 0.956 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.662 13.867 1.432 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.116 14.058 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.076 11.703 1.312 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.484 13.290 1.761 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.531 10.835 -1.197 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.052 10.317 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.243 10.781 0.559 1.00 0.00 H new ATOM 1761 N LEU A1022 3.558 11.967 -2.181 1.00 0.00 N ATOM 1762 CA LEU A1022 2.940 11.183 -3.234 1.00 0.00 C ATOM 1763 C LEU A1022 3.962 10.227 -3.839 1.00 0.00 C ATOM 1764 O LEU A1022 3.608 9.318 -4.569 1.00 0.00 O ATOM 1765 CB LEU A1022 2.306 12.081 -4.312 1.00 0.00 C ATOM 1766 CG LEU A1022 2.974 12.016 -5.691 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.981 12.388 -6.780 1.00 0.00 C ATOM 1768 CD2 LEU A1022 4.180 12.942 -5.751 1.00 0.00 C ATOM 0 H LEU A1022 3.810 12.922 -2.437 1.00 0.00 H new ATOM 0 HA LEU A1022 2.132 10.597 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.257 11.806 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.330 13.113 -3.963 1.00 0.00 H new ATOM 0 HG LEU A1022 3.312 10.993 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.471 12.337 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.142 11.693 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.617 13.401 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.638 12.879 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.861 13.967 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.906 12.643 -4.995 1.00 0.00 H new ATOM 1780 N THR A1023 5.239 10.453 -3.531 1.00 0.00 N ATOM 1781 CA THR A1023 6.305 9.572 -3.996 1.00 0.00 C ATOM 1782 C THR A1023 6.529 8.430 -3.009 1.00 0.00 C ATOM 1783 O THR A1023 6.866 7.328 -3.409 1.00 0.00 O ATOM 1784 CB THR A1023 7.622 10.342 -4.236 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.420 11.317 -5.269 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.756 9.406 -4.641 1.00 0.00 C ATOM 0 H THR A1023 5.558 11.238 -2.963 1.00 0.00 H new ATOM 0 HA THR A1023 5.988 9.154 -4.952 1.00 0.00 H new ATOM 0 HB THR A1023 7.903 10.829 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.343 12.208 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.666 9.985 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A1023 8.925 8.676 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.489 8.888 -5.562 1.00 0.00 H new ATOM 1794 N ALA A1024 6.327 8.690 -1.720 1.00 0.00 N ATOM 1795 CA ALA A1024 6.340 7.627 -0.725 1.00 0.00 C ATOM 1796 C ALA A1024 5.020 6.884 -0.772 1.00 0.00 C ATOM 1797 O ALA A1024 4.922 5.744 -0.354 1.00 0.00 O ATOM 1798 CB ALA A1024 6.602 8.178 0.671 1.00 0.00 C ATOM 0 H ALA A1024 6.154 9.622 -1.344 1.00 0.00 H new ATOM 0 HA ALA A1024 7.152 6.937 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.605 7.359 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.569 8.680 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.819 8.889 0.934 1.00 0.00 H new ATOM 1804 N ALA A1025 4.002 7.556 -1.271 1.00 0.00 N ATOM 1805 CA ALA A1025 2.739 6.920 -1.593 1.00 0.00 C ATOM 1806 C ALA A1025 2.785 6.337 -3.005 1.00 0.00 C ATOM 1807 O ALA A1025 1.995 5.461 -3.333 1.00 0.00 O ATOM 1808 CB ALA A1025 1.577 7.870 -1.397 1.00 0.00 C ATOM 0 H ALA A1025 4.026 8.557 -1.465 1.00 0.00 H new ATOM 0 HA ALA A1025 2.578 6.093 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.646 7.362 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.545 8.196 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.703 8.737 -2.045 1.00 0.00 H new ATOM 1814 N HIS A1026 3.681 6.832 -3.852 1.00 0.00 N ATOM 1815 CA HIS A1026 4.002 6.134 -5.099 1.00 0.00 C ATOM 1816 C HIS A1026 4.901 4.946 -4.785 1.00 0.00 C ATOM 1817 O HIS A1026 4.902 3.956 -5.498 1.00 0.00 O ATOM 1818 CB HIS A1026 4.646 7.074 -6.127 1.00 0.00 C ATOM 1819 CG HIS A1026 5.075 6.405 -7.399 1.00 0.00 C ATOM 1820 ND1 HIS A1026 4.194 6.007 -8.380 1.00 0.00 N ATOM 1821 CD2 HIS A1026 6.307 6.072 -7.848 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.866 5.459 -9.373 1.00 0.00 C ATOM 1823 NE2 HIS A1026 6.153 5.486 -9.078 1.00 0.00 N ATOM 0 H HIS A1026 4.194 7.701 -3.705 1.00 0.00 H new ATOM 0 HA HIS A1026 3.078 5.773 -5.552 1.00 0.00 H new ATOM 0 HB2 HIS A1026 3.938 7.867 -6.369 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.514 7.550 -5.671 1.00 0.00 H new ATOM 0 HD2 HIS A1026 7.241 6.238 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.436 5.055 -10.277 1.00 0.00 H new ATOM 0 HE2 HIS A1026 6.906 5.130 -9.667 1.00 0.00 H new ATOM 1832 N ALA A1027 5.645 5.062 -3.702 1.00 0.00 N ATOM 1833 CA ALA A1027 6.293 3.934 -3.036 1.00 0.00 C ATOM 1834 C ALA A1027 5.252 3.048 -2.392 1.00 0.00 C ATOM 1835 O ALA A1027 5.351 1.833 -2.479 1.00 0.00 O ATOM 1836 CB ALA A1027 7.261 4.444 -1.985 1.00 0.00 C ATOM 0 H ALA A1027 5.823 5.957 -3.247 1.00 0.00 H new ATOM 0 HA ALA A1027 6.844 3.353 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.741 3.599 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A1027 8.020 5.066 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.719 5.035 -1.247 1.00 0.00 H new ATOM 1842 N LEU A1028 4.250 3.624 -1.768 1.00 0.00 N ATOM 1843 CA LEU A1028 3.129 2.828 -1.308 1.00 0.00 C ATOM 1844 C LEU A1028 2.452 2.160 -2.498 1.00 0.00 C ATOM 1845 O LEU A1028 2.061 1.010 -2.418 1.00 0.00 O ATOM 1846 CB LEU A1028 2.138 3.665 -0.506 1.00 0.00 C ATOM 1847 CG LEU A1028 2.662 4.171 0.835 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.501 4.572 1.720 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.508 3.102 1.501 1.00 0.00 C ATOM 0 H LEU A1028 4.185 4.622 -1.569 1.00 0.00 H new ATOM 0 HA LEU A1028 3.505 2.056 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.837 4.522 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.242 3.070 -0.328 1.00 0.00 H new ATOM 0 HG LEU A1028 3.290 5.047 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.880 4.933 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.930 5.363 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.856 3.709 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.877 3.473 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.903 2.210 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A1028 4.352 2.853 0.858 1.00 0.00 H new ATOM 1861 N ALA A1029 2.328 2.884 -3.601 1.00 0.00 N ATOM 1862 CA ALA A1029 1.870 2.293 -4.852 1.00 0.00 C ATOM 1863 C ALA A1029 2.820 1.191 -5.316 1.00 0.00 C ATOM 1864 O ALA A1029 2.381 0.167 -5.835 1.00 0.00 O ATOM 1865 CB ALA A1029 1.730 3.362 -5.930 1.00 0.00 C ATOM 0 H ALA A1029 2.538 3.881 -3.656 1.00 0.00 H new ATOM 0 HA ALA A1029 0.891 1.847 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.387 2.902 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A1029 1.007 4.111 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.696 3.839 -6.097 1.00 0.00 H new ATOM 1871 N VAL A1030 4.119 1.394 -5.109 1.00 0.00 N ATOM 1872 CA VAL A1030 5.122 0.427 -5.534 1.00 0.00 C ATOM 1873 C VAL A1030 5.025 -0.833 -4.688 1.00 0.00 C ATOM 1874 O VAL A1030 4.949 -1.952 -5.198 1.00 0.00 O ATOM 1875 CB VAL A1030 6.555 1.009 -5.408 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.610 -0.093 -5.426 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.833 2.001 -6.526 1.00 0.00 C ATOM 0 H VAL A1030 4.500 2.221 -4.649 1.00 0.00 H new ATOM 0 HA VAL A1030 4.929 0.190 -6.580 1.00 0.00 H new ATOM 0 HB VAL A1030 6.612 1.524 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.601 0.351 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.440 -0.773 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.544 -0.645 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.843 2.397 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.741 1.499 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A1030 6.115 2.819 -6.473 1.00 0.00 H new ATOM 1887 N ASP A1031 5.014 -0.616 -3.379 1.00 0.00 N ATOM 1888 CA ASP A1031 5.034 -1.693 -2.409 1.00 0.00 C ATOM 1889 C ASP A1031 3.686 -2.387 -2.338 1.00 0.00 C ATOM 1890 O ASP A1031 3.619 -3.579 -2.094 1.00 0.00 O ATOM 1891 CB ASP A1031 5.439 -1.170 -1.030 1.00 0.00 C ATOM 1892 CG ASP A1031 6.881 -0.700 -0.991 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.760 -1.433 -1.495 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.144 0.390 -0.457 1.00 0.00 O ATOM 0 H ASP A1031 4.991 0.315 -2.964 1.00 0.00 H new ATOM 0 HA ASP A1031 5.775 -2.423 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.783 -0.346 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.296 -1.957 -0.289 1.00 0.00 H new ATOM 1899 N ALA A1032 2.614 -1.636 -2.547 1.00 0.00 N ATOM 1900 CA ALA A1032 1.282 -2.222 -2.634 1.00 0.00 C ATOM 1901 C ALA A1032 1.136 -3.000 -3.937 1.00 0.00 C ATOM 1902 O ALA A1032 0.448 -4.024 -3.981 1.00 0.00 O ATOM 1903 CB ALA A1032 0.189 -1.175 -2.503 1.00 0.00 C ATOM 0 H ALA A1032 2.639 -0.623 -2.659 1.00 0.00 H new ATOM 0 HA ALA A1032 1.166 -2.909 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.786 -1.656 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.278 -0.675 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.290 -0.441 -3.303 1.00 0.00 H new ATOM 1909 N LYS A1033 1.806 -2.540 -4.986 1.00 0.00 N ATOM 1910 CA LYS A1033 1.881 -3.297 -6.228 1.00 0.00 C ATOM 1911 C LYS A1033 2.618 -4.609 -5.977 1.00 0.00 C ATOM 1912 O LYS A1033 2.197 -5.680 -6.413 1.00 0.00 O ATOM 1913 CB LYS A1033 2.632 -2.494 -7.296 1.00 0.00 C ATOM 1914 CG LYS A1033 2.708 -3.189 -8.650 1.00 0.00 C ATOM 1915 CD LYS A1033 3.715 -2.517 -9.576 1.00 0.00 C ATOM 1916 CE LYS A1033 3.331 -1.082 -9.903 1.00 0.00 C ATOM 1917 NZ LYS A1033 4.337 -0.429 -10.782 1.00 0.00 N ATOM 0 H LYS A1033 2.303 -1.650 -5.001 1.00 0.00 H new ATOM 0 HA LYS A1033 0.869 -3.499 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.143 -1.528 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.644 -2.296 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.986 -4.233 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.723 -3.182 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A1033 4.700 -2.530 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.793 -3.089 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A1033 2.357 -1.069 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.231 -0.513 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 4.041 0.547 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.261 -0.419 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 4.414 -0.958 -11.674 1.00 0.00 H new ATOM 1931 N ASN A1034 3.713 -4.501 -5.233 1.00 0.00 N ATOM 1932 CA ASN A1034 4.612 -5.622 -4.999 1.00 0.00 C ATOM 1933 C ASN A1034 4.087 -6.573 -3.930 1.00 0.00 C ATOM 1934 O ASN A1034 4.057 -7.770 -4.149 1.00 0.00 O ATOM 1935 CB ASN A1034 5.999 -5.112 -4.598 1.00 0.00 C ATOM 1936 CG ASN A1034 7.000 -6.236 -4.382 1.00 0.00 C ATOM 1937 OD1 ASN A1034 6.902 -7.303 -4.988 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.984 -5.995 -3.532 1.00 0.00 N ATOM 0 H ASN A1034 4.001 -3.635 -4.777 1.00 0.00 H new ATOM 0 HA ASN A1034 4.677 -6.180 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.373 -4.442 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.915 -4.526 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.695 -6.706 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN A1034 8.032 -5.098 -3.048 1.00 0.00 H new ATOM 1945 N LEU A1035 3.674 -6.051 -2.777 1.00 0.00 N ATOM 1946 CA LEU A1035 3.272 -6.907 -1.663 1.00 0.00 C ATOM 1947 C LEU A1035 2.092 -7.795 -2.063 1.00 0.00 C ATOM 1948 O LEU A1035 2.057 -8.964 -1.684 1.00 0.00 O ATOM 1949 CB LEU A1035 2.960 -6.098 -0.385 1.00 0.00 C ATOM 1950 CG LEU A1035 1.472 -5.926 -0.025 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.310 -5.523 1.429 1.00 0.00 C ATOM 1952 CD2 LEU A1035 0.810 -4.887 -0.905 1.00 0.00 C ATOM 0 H LEU A1035 3.609 -5.050 -2.590 1.00 0.00 H new ATOM 0 HA LEU A1035 4.120 -7.550 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.460 -6.581 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.402 -5.107 -0.492 1.00 0.00 H new ATOM 0 HG LEU A1035 0.988 -6.889 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.251 -5.408 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.739 -6.293 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.824 -4.578 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -0.239 -4.789 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.311 -3.928 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.881 -5.195 -1.948 1.00 0.00 H new ATOM 1964 N LEU A1036 1.123 -7.269 -2.822 1.00 0.00 N ATOM 1965 CA LEU A1036 0.023 -8.132 -3.219 1.00 0.00 C ATOM 1966 C LEU A1036 0.546 -9.178 -4.207 1.00 0.00 C ATOM 1967 O LEU A1036 0.229 -10.361 -4.113 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.160 -7.316 -3.770 1.00 0.00 C ATOM 1969 CG LEU A1036 -2.369 -8.115 -4.282 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -2.147 -8.596 -5.709 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.665 -9.294 -3.364 1.00 0.00 C ATOM 0 H LEU A1036 1.081 -6.306 -3.154 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.370 -8.657 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.504 -6.643 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -0.793 -6.693 -4.586 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.232 -7.449 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -3.019 -9.158 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -1.996 -7.737 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -1.267 -9.238 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -3.524 -9.845 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -1.798 -9.953 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -2.885 -8.928 -2.361 1.00 0.00 H new ATOM 1983 N ASP A1037 1.376 -8.707 -5.142 1.00 0.00 N ATOM 1984 CA ASP A1037 2.073 -9.566 -6.104 1.00 0.00 C ATOM 1985 C ASP A1037 2.824 -10.681 -5.378 1.00 0.00 C ATOM 1986 O ASP A1037 2.851 -11.831 -5.806 1.00 0.00 O ATOM 1987 CB ASP A1037 3.074 -8.718 -6.889 1.00 0.00 C ATOM 1988 CG ASP A1037 3.840 -9.513 -7.924 1.00 0.00 C ATOM 1989 OD1 ASP A1037 3.286 -9.771 -9.013 1.00 0.00 O ATOM 1990 OD2 ASP A1037 5.016 -9.851 -7.664 1.00 0.00 O ATOM 0 H ASP A1037 1.584 -7.715 -5.254 1.00 0.00 H new ATOM 0 HA ASP A1037 1.342 -10.014 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.543 -7.905 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.779 -8.262 -6.194 1.00 0.00 H new ATOM 1995 N VAL A1038 3.450 -10.287 -4.277 1.00 0.00 N ATOM 1996 CA VAL A1038 4.139 -11.185 -3.364 1.00 0.00 C ATOM 1997 C VAL A1038 3.216 -12.279 -2.847 1.00 0.00 C ATOM 1998 O VAL A1038 3.626 -13.421 -2.770 1.00 0.00 O ATOM 1999 CB VAL A1038 4.767 -10.393 -2.185 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.143 -11.305 -1.029 1.00 0.00 C ATOM 2001 CG2 VAL A1038 5.993 -9.625 -2.656 1.00 0.00 C ATOM 0 H VAL A1038 3.493 -9.310 -3.988 1.00 0.00 H new ATOM 0 HA VAL A1038 4.940 -11.669 -3.922 1.00 0.00 H new ATOM 0 HB VAL A1038 4.014 -9.691 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.579 -10.712 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.252 -11.814 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.869 -12.044 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.422 -9.075 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.732 -10.324 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.705 -8.925 -3.440 1.00 0.00 H new ATOM 2011 N ILE A1039 1.982 -11.949 -2.515 1.00 0.00 N ATOM 2012 CA ILE A1039 1.035 -12.961 -2.060 1.00 0.00 C ATOM 2013 C ILE A1039 0.420 -13.704 -3.229 1.00 0.00 C ATOM 2014 O ILE A1039 0.073 -14.881 -3.112 1.00 0.00 O ATOM 2015 CB ILE A1039 -0.041 -12.371 -1.124 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.525 -12.306 0.284 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.337 -13.177 -1.142 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.512 -11.182 0.507 1.00 0.00 C ATOM 0 H ILE A1039 1.610 -11.000 -2.550 1.00 0.00 H new ATOM 0 HA ILE A1039 1.596 -13.686 -1.470 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.295 -11.372 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.299 -12.196 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.014 -13.253 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -2.060 -12.719 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.743 -13.190 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -1.135 -14.198 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.867 -11.208 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.357 -11.300 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.024 -10.226 0.315 1.00 0.00 H new ATOM 2030 N ASP A1040 0.324 -13.042 -4.351 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.021 -13.715 -5.584 1.00 0.00 C ATOM 2032 C ASP A1040 1.016 -14.796 -5.877 1.00 0.00 C ATOM 2033 O ASP A1040 0.679 -15.959 -6.123 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.105 -12.703 -6.721 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.463 -12.690 -7.383 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.383 -13.395 -6.897 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -1.615 -11.995 -8.407 1.00 0.00 O ATOM 0 H ASP A1040 0.479 -12.038 -4.441 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.997 -14.191 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.117 -11.708 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A1040 0.657 -12.934 -7.466 1.00 0.00 H new ATOM 2042 N GLN A1041 2.276 -14.430 -5.791 1.00 0.00 N ATOM 2043 CA GLN A1041 3.347 -15.385 -5.945 1.00 0.00 C ATOM 2044 C GLN A1041 3.407 -16.318 -4.744 1.00 0.00 C ATOM 2045 O GLN A1041 3.728 -17.483 -4.889 1.00 0.00 O ATOM 2046 CB GLN A1041 4.672 -14.660 -6.123 1.00 0.00 C ATOM 2047 CG GLN A1041 4.878 -14.120 -7.527 1.00 0.00 C ATOM 2048 CD GLN A1041 6.248 -13.509 -7.717 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.206 -14.202 -8.058 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.353 -12.209 -7.524 1.00 0.00 N ATOM 0 H GLN A1041 2.583 -13.473 -5.614 1.00 0.00 H new ATOM 0 HA GLN A1041 3.155 -15.985 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.725 -13.835 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.487 -15.342 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A1041 4.740 -14.927 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.116 -13.370 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.536 -11.668 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.251 -11.745 -7.657 1.00 0.00 H new ATOM 2059 N ALA A1042 3.069 -15.792 -3.572 1.00 0.00 N ATOM 2060 CA ALA A1042 3.046 -16.556 -2.322 1.00 0.00 C ATOM 2061 C ALA A1042 2.172 -17.786 -2.414 1.00 0.00 C ATOM 2062 O ALA A1042 2.596 -18.882 -2.052 1.00 0.00 O ATOM 2063 CB ALA A1042 2.526 -15.691 -1.193 1.00 0.00 C ATOM 0 H ALA A1042 2.800 -14.815 -3.458 1.00 0.00 H new ATOM 0 HA ALA A1042 4.072 -16.872 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A1042 2.513 -16.268 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.175 -14.824 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.515 -15.357 -1.426 1.00 0.00 H new ATOM 2069 N ARG A1043 0.944 -17.610 -2.885 1.00 0.00 N ATOM 2070 CA ARG A1043 0.014 -18.722 -2.967 1.00 0.00 C ATOM 2071 C ARG A1043 0.530 -19.758 -3.958 1.00 0.00 C ATOM 2072 O ARG A1043 0.364 -20.956 -3.755 1.00 0.00 O ATOM 2073 CB ARG A1043 -1.397 -18.244 -3.340 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.414 -17.180 -4.418 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.816 -16.665 -4.702 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.442 -16.100 -3.510 1.00 0.00 N ATOM 2077 CZ ARG A1043 -3.832 -14.827 -3.395 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -3.601 -13.953 -4.374 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.436 -14.432 -2.282 1.00 0.00 N ATOM 0 H ARG A1043 0.574 -16.717 -3.212 1.00 0.00 H new ATOM 0 HA ARG A1043 -0.057 -19.188 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.984 -19.099 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.886 -17.853 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.779 -16.348 -4.114 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.987 -17.588 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.772 -15.906 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.431 -17.480 -5.083 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.592 -16.718 -2.712 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -3.122 -14.253 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -3.904 -12.984 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.598 -15.097 -1.526 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.738 -13.463 -2.182 1.00 0.00 H new ATOM 2093 N LEU A1044 1.182 -19.289 -5.016 1.00 0.00 N ATOM 2094 CA LEU A1044 1.849 -20.187 -5.955 1.00 0.00 C ATOM 2095 C LEU A1044 3.109 -20.783 -5.327 1.00 0.00 C ATOM 2096 O LEU A1044 3.487 -21.913 -5.616 1.00 0.00 O ATOM 2097 CB LEU A1044 2.217 -19.438 -7.240 1.00 0.00 C ATOM 2098 CG LEU A1044 3.037 -20.241 -8.253 1.00 0.00 C ATOM 2099 CD1 LEU A1044 2.293 -21.497 -8.677 1.00 0.00 C ATOM 2100 CD2 LEU A1044 3.371 -19.384 -9.463 1.00 0.00 C ATOM 0 H LEU A1044 1.264 -18.298 -5.245 1.00 0.00 H new ATOM 0 HA LEU A1044 1.160 -20.996 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.298 -19.106 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.778 -18.543 -6.971 1.00 0.00 H new ATOM 0 HG LEU A1044 3.968 -20.544 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A1044 2.895 -22.051 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A1044 2.106 -22.121 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A1044 1.343 -21.220 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A1044 3.954 -19.970 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.449 -19.050 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A1044 3.950 -18.517 -9.146 1.00 0.00 H new