USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 951 TYR OH : rot -85:sc= 0.916 USER MOD Set 1.2: A1014 GLN : amide:sc= -11! C(o=-9.8!,f=-17!) USER MOD Set 1.3: A1018 LYS NZ :NH3+ -155:sc= 0.281 (180deg=-1!) USER MOD Set 2.1: A1001 LYS NZ :NH3+ 161:sc= 0.735 (180deg=0) USER MOD Set 2.2: A1020 GLN : amide:sc= -1.31 K(o=-0.57,f=-2.7) USER MOD Set 3.1: A 992 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Set 3.2: A 993 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 928 ASN : amide:sc= -4.07! C(o=-2.8!,f=-5.7!) USER MOD Set 4.2: A 968 THR OG1 : rot 107:sc= 1.31 USER MOD Set 5.1: A 940 SER OG : rot 104:sc= 0.897 USER MOD Set 5.2: A 954 MET CE :methyl -163:sc= -3.68! (180deg=-2.77!) USER MOD Set 5.3: A1002 MET CE :methyl 149:sc= -3.96! (180deg=-7.47!) USER MOD Set 5.4: A1021 MET CE :methyl -176:sc= -4.02! (180deg=-3.16!) USER MOD Single : A 924 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.22) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 42:sc= 0.993 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -141:sc= -0.938 (180deg=-2.87!) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 972 SER OG : rot 87:sc= 1.27 USER MOD Single : A 980 THR OG1 : rot -50:sc= -3.69! USER MOD Single : A 981 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.26) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -9.06! C(o=-9.1!,f=-12!) USER MOD Single : A 989 LYS NZ :NH3+ 151:sc= -1.57 (180deg=-3.04!) USER MOD Single : A1000 ASN : amide:sc= 1.21 K(o=1.2,f=-0.13) USER MOD Single : A1003 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A1006 GLN : amide:sc= 0.0689 K(o=0.069,f=-1.4!) USER MOD Single : A1007 GLN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 166:sc= -0.048 (180deg=-0.37) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A1012 SER OG : rot 180:sc= 0.0408 USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= -0.863 USER MOD Single : A1019 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A1023 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A1026 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.011) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A1041 GLN : amide:sc= 0.348 X(o=0.35,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.905 -8.611 -3.743 1.00 0.00 N ATOM 180 CA LYS A 924 -9.276 -7.454 -2.929 1.00 0.00 C ATOM 181 C LYS A 924 -8.069 -6.598 -2.538 1.00 0.00 C ATOM 182 O LYS A 924 -8.217 -5.401 -2.325 1.00 0.00 O ATOM 183 CB LYS A 924 -10.002 -7.915 -1.669 1.00 0.00 C ATOM 184 CG LYS A 924 -10.619 -6.781 -0.861 1.00 0.00 C ATOM 185 CD LYS A 924 -11.694 -6.033 -1.640 1.00 0.00 C ATOM 186 CE LYS A 924 -12.918 -6.898 -1.900 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.996 -6.145 -2.600 1.00 0.00 N ATOM 0 HA LYS A 924 -9.934 -6.834 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -10.787 -8.616 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.301 -8.459 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.051 -7.184 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -9.837 -6.083 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -11.991 -5.143 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.282 -5.693 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -12.631 -7.761 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.299 -7.280 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.804 -6.776 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.301 -5.345 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.636 -5.787 -3.508 1.00 0.00 H new ATOM 201 N VAL A 925 -6.880 -7.186 -2.473 1.00 0.00 N ATOM 202 CA VAL A 925 -5.676 -6.409 -2.162 1.00 0.00 C ATOM 203 C VAL A 925 -5.440 -5.341 -3.236 1.00 0.00 C ATOM 204 O VAL A 925 -4.948 -4.258 -2.952 1.00 0.00 O ATOM 205 CB VAL A 925 -4.424 -7.305 -2.019 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.629 -8.333 -0.926 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.099 -8.000 -3.334 1.00 0.00 C ATOM 0 H VAL A 925 -6.720 -8.181 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.843 -5.925 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.583 -6.666 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.738 -8.955 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.811 -7.825 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.486 -8.960 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.214 -8.624 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.942 -8.622 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -3.908 -7.252 -4.103 1.00 0.00 H new ATOM 217 N TYR A 926 -5.868 -5.638 -4.449 1.00 0.00 N ATOM 218 CA TYR A 926 -5.790 -4.697 -5.569 1.00 0.00 C ATOM 219 C TYR A 926 -6.905 -3.686 -5.450 1.00 0.00 C ATOM 220 O TYR A 926 -6.787 -2.559 -5.923 1.00 0.00 O ATOM 221 CB TYR A 926 -5.863 -5.428 -6.921 1.00 0.00 C ATOM 222 CG TYR A 926 -7.107 -5.112 -7.734 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.306 -5.774 -7.496 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.084 -4.148 -8.730 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.440 -5.486 -8.221 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.215 -3.851 -9.461 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.392 -4.523 -9.204 1.00 0.00 C ATOM 228 OH TYR A 926 -10.523 -4.228 -9.931 1.00 0.00 O ATOM 0 H TYR A 926 -6.281 -6.538 -4.694 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.829 -4.184 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.983 -5.169 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.822 -6.503 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.349 -6.530 -6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.165 -3.621 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.362 -6.012 -8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.179 -3.095 -10.232 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.319 -3.526 -10.583 1.00 0.00 H new ATOM 238 N GLU A 927 -7.970 -4.075 -4.806 1.00 0.00 N ATOM 239 CA GLU A 927 -9.047 -3.157 -4.529 1.00 0.00 C ATOM 240 C GLU A 927 -8.684 -2.217 -3.387 1.00 0.00 C ATOM 241 O GLU A 927 -9.190 -1.098 -3.327 1.00 0.00 O ATOM 242 CB GLU A 927 -10.341 -3.885 -4.249 1.00 0.00 C ATOM 243 CG GLU A 927 -11.509 -3.205 -4.891 1.00 0.00 C ATOM 244 CD GLU A 927 -12.813 -3.535 -4.204 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.162 -2.841 -3.225 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.484 -4.501 -4.621 1.00 0.00 O ATOM 0 H GLU A 927 -8.118 -5.023 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.202 -2.554 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.269 -4.909 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.500 -3.943 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.354 -2.126 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.568 -3.500 -5.939 1.00 0.00 H new ATOM 253 N ASN A 928 -7.799 -2.622 -2.505 1.00 0.00 N ATOM 254 CA ASN A 928 -7.311 -1.719 -1.471 1.00 0.00 C ATOM 255 C ASN A 928 -6.288 -0.763 -2.086 1.00 0.00 C ATOM 256 O ASN A 928 -6.140 0.379 -1.665 1.00 0.00 O ATOM 257 CB ASN A 928 -6.710 -2.520 -0.325 1.00 0.00 C ATOM 258 CG ASN A 928 -7.598 -3.685 0.074 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.112 -4.756 0.427 1.00 0.00 O ATOM 260 ND2 ASN A 928 -8.909 -3.487 0.021 1.00 0.00 N ATOM 0 H ASN A 928 -7.401 -3.561 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.134 -1.131 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.729 -2.894 -0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -6.558 -1.867 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.549 -4.238 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.277 -2.584 -0.277 1.00 0.00 H new ATOM 267 N VAL A 929 -5.607 -1.266 -3.110 1.00 0.00 N ATOM 268 CA VAL A 929 -4.661 -0.496 -3.920 1.00 0.00 C ATOM 269 C VAL A 929 -5.410 0.409 -4.892 1.00 0.00 C ATOM 270 O VAL A 929 -4.918 1.489 -5.216 1.00 0.00 O ATOM 271 CB VAL A 929 -3.684 -1.409 -4.698 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.800 -0.602 -5.629 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.834 -2.225 -3.740 1.00 0.00 C ATOM 0 H VAL A 929 -5.696 -2.237 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.071 0.113 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.280 -2.091 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.125 -1.272 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.421 -0.067 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.218 0.114 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.154 -2.860 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.257 -1.554 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.480 -2.847 -3.120 1.00 0.00 H new ATOM 283 N THR A 930 -6.589 0.026 -5.326 1.00 0.00 N ATOM 284 CA THR A 930 -7.414 0.955 -6.077 1.00 0.00 C ATOM 285 C THR A 930 -7.710 2.168 -5.193 1.00 0.00 C ATOM 286 O THR A 930 -7.668 3.309 -5.638 1.00 0.00 O ATOM 287 CB THR A 930 -8.735 0.299 -6.537 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.455 -0.912 -7.257 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.537 1.244 -7.424 1.00 0.00 C ATOM 0 H THR A 930 -6.994 -0.898 -5.179 1.00 0.00 H new ATOM 0 HA THR A 930 -6.874 1.260 -6.973 1.00 0.00 H new ATOM 0 HB THR A 930 -9.326 0.071 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.740 -1.404 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.461 0.756 -7.733 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.774 2.151 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.950 1.501 -8.306 1.00 0.00 H new ATOM 297 N GLY A 931 -7.962 1.889 -3.920 1.00 0.00 N ATOM 298 CA GLY A 931 -8.228 2.942 -2.962 1.00 0.00 C ATOM 299 C GLY A 931 -6.995 3.756 -2.588 1.00 0.00 C ATOM 300 O GLY A 931 -7.011 4.984 -2.697 1.00 0.00 O ATOM 0 H GLY A 931 -7.987 0.945 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.984 3.612 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.649 2.501 -2.058 1.00 0.00 H new ATOM 304 N LEU A 932 -5.921 3.088 -2.161 1.00 0.00 N ATOM 305 CA LEU A 932 -4.724 3.796 -1.691 1.00 0.00 C ATOM 306 C LEU A 932 -4.035 4.600 -2.799 1.00 0.00 C ATOM 307 O LEU A 932 -3.707 5.768 -2.598 1.00 0.00 O ATOM 308 CB LEU A 932 -3.734 2.828 -1.008 1.00 0.00 C ATOM 309 CG LEU A 932 -2.969 1.848 -1.900 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.600 2.407 -2.271 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.820 0.508 -1.195 1.00 0.00 C ATOM 0 H LEU A 932 -5.853 2.071 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.064 4.518 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.004 3.425 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.287 2.248 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.537 1.703 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.075 1.693 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.724 3.347 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.020 2.582 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.274 -0.183 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.272 0.646 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.807 0.099 -0.978 1.00 0.00 H new ATOM 323 N VAL A 933 -3.824 3.984 -3.964 1.00 0.00 N ATOM 324 CA VAL A 933 -3.130 4.649 -5.072 1.00 0.00 C ATOM 325 C VAL A 933 -3.920 5.853 -5.548 1.00 0.00 C ATOM 326 O VAL A 933 -3.362 6.928 -5.814 1.00 0.00 O ATOM 327 CB VAL A 933 -2.904 3.694 -6.264 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.338 4.439 -7.468 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.977 2.563 -5.865 1.00 0.00 C ATOM 0 H VAL A 933 -4.122 3.030 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.159 4.968 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.870 3.277 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -2.190 3.740 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -3.036 5.218 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.383 4.892 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.827 1.898 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -1.017 2.973 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.419 2.004 -5.041 1.00 0.00 H new ATOM 339 N LYS A 934 -5.223 5.657 -5.650 1.00 0.00 N ATOM 340 CA LYS A 934 -6.119 6.717 -6.059 1.00 0.00 C ATOM 341 C LYS A 934 -6.050 7.887 -5.082 1.00 0.00 C ATOM 342 O LYS A 934 -6.049 9.036 -5.510 1.00 0.00 O ATOM 343 CB LYS A 934 -7.542 6.176 -6.196 1.00 0.00 C ATOM 344 CG LYS A 934 -8.629 7.232 -6.088 1.00 0.00 C ATOM 345 CD LYS A 934 -9.951 6.625 -5.641 1.00 0.00 C ATOM 346 CE LYS A 934 -9.900 6.147 -4.193 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.185 5.535 -3.758 1.00 0.00 N ATOM 0 H LYS A 934 -5.683 4.768 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.807 7.091 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.635 5.673 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.707 5.423 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.322 8.001 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.760 7.722 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.745 7.364 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -10.203 5.787 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.096 5.419 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.662 6.988 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.104 5.225 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.949 6.236 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.401 4.716 -4.361 1.00 0.00 H new ATOM 361 N ALA A 935 -5.969 7.618 -3.785 1.00 0.00 N ATOM 362 CA ALA A 935 -5.795 8.694 -2.815 1.00 0.00 C ATOM 363 C ALA A 935 -4.518 9.492 -3.100 1.00 0.00 C ATOM 364 O ALA A 935 -4.561 10.716 -3.145 1.00 0.00 O ATOM 365 CB ALA A 935 -5.772 8.133 -1.400 1.00 0.00 C ATOM 0 H ALA A 935 -6.020 6.681 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.642 9.374 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.642 8.948 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.712 7.620 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.946 7.429 -1.301 1.00 0.00 H new ATOM 371 N VAL A 936 -3.412 8.779 -3.341 1.00 0.00 N ATOM 372 CA VAL A 936 -2.098 9.391 -3.613 1.00 0.00 C ATOM 373 C VAL A 936 -2.190 10.551 -4.605 1.00 0.00 C ATOM 374 O VAL A 936 -2.281 11.703 -4.206 1.00 0.00 O ATOM 375 CB VAL A 936 -1.107 8.345 -4.170 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.265 8.959 -4.411 1.00 0.00 C ATOM 377 CG2 VAL A 936 -1.005 7.145 -3.240 1.00 0.00 C ATOM 0 H VAL A 936 -3.398 7.759 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.740 9.777 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.493 8.001 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 936 0.940 8.198 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.178 9.773 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.660 9.346 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.301 6.423 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.655 7.472 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.985 6.679 -3.138 1.00 0.00 H new ATOM 387 N ILE A 937 -2.191 10.241 -5.889 1.00 0.00 N ATOM 388 CA ILE A 937 -2.132 11.268 -6.935 1.00 0.00 C ATOM 389 C ILE A 937 -3.370 12.167 -6.937 1.00 0.00 C ATOM 390 O ILE A 937 -3.261 13.409 -6.991 1.00 0.00 O ATOM 391 CB ILE A 937 -1.963 10.625 -8.332 1.00 0.00 C ATOM 392 CG1 ILE A 937 -3.020 9.533 -8.563 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.560 10.052 -8.479 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.947 8.883 -9.930 1.00 0.00 C ATOM 0 H ILE A 937 -2.232 9.285 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.264 11.887 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 937 -2.106 11.398 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.905 8.763 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -4.011 9.967 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.452 9.602 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.173 10.850 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.395 9.293 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.725 8.124 -10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.093 9.640 -10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.970 8.417 -10.060 1.00 0.00 H new ATOM 406 N GLU A 938 -4.526 11.552 -6.794 1.00 0.00 N ATOM 407 CA GLU A 938 -5.784 12.258 -7.003 1.00 0.00 C ATOM 408 C GLU A 938 -6.001 13.298 -5.931 1.00 0.00 C ATOM 409 O GLU A 938 -6.247 14.460 -6.226 1.00 0.00 O ATOM 410 CB GLU A 938 -6.977 11.301 -7.038 1.00 0.00 C ATOM 411 CG GLU A 938 -7.477 10.993 -8.437 1.00 0.00 C ATOM 412 CD GLU A 938 -8.008 12.224 -9.148 1.00 0.00 C ATOM 413 OE1 GLU A 938 -9.141 12.661 -8.835 1.00 0.00 O ATOM 414 OE2 GLU A 938 -7.300 12.761 -10.026 1.00 0.00 O ATOM 0 H GLU A 938 -4.626 10.570 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.713 12.750 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.696 10.368 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.793 11.732 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -6.666 10.561 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.265 10.242 -8.381 1.00 0.00 H new ATOM 421 N MET A 939 -5.883 12.900 -4.682 1.00 0.00 N ATOM 422 CA MET A 939 -6.167 13.815 -3.600 1.00 0.00 C ATOM 423 C MET A 939 -5.049 14.847 -3.493 1.00 0.00 C ATOM 424 O MET A 939 -5.301 15.998 -3.135 1.00 0.00 O ATOM 425 CB MET A 939 -6.357 13.048 -2.291 1.00 0.00 C ATOM 426 CG MET A 939 -6.989 13.863 -1.174 1.00 0.00 C ATOM 427 SD MET A 939 -7.519 12.844 0.216 1.00 0.00 S ATOM 428 CE MET A 939 -8.581 11.672 -0.620 1.00 0.00 C ATOM 0 H MET A 939 -5.597 11.964 -4.395 1.00 0.00 H new ATOM 0 HA MET A 939 -7.097 14.344 -3.805 1.00 0.00 H new ATOM 0 HB2 MET A 939 -6.978 12.173 -2.483 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.387 12.682 -1.954 1.00 0.00 H new ATOM 0 HG2 MET A 939 -6.273 14.606 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.847 14.408 -1.568 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.453 11.464 0.000 1.00 0.00 H new ATOM 0 HE2 MET A 939 -8.905 12.090 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.033 10.747 -0.797 1.00 0.00 H new ATOM 438 N SER A 940 -3.839 14.440 -3.920 1.00 0.00 N ATOM 439 CA SER A 940 -2.626 15.250 -3.776 1.00 0.00 C ATOM 440 C SER A 940 -2.803 16.660 -4.307 1.00 0.00 C ATOM 441 O SER A 940 -2.535 17.636 -3.616 1.00 0.00 O ATOM 442 CB SER A 940 -1.460 14.608 -4.527 1.00 0.00 C ATOM 443 OG SER A 940 -0.787 13.668 -3.712 1.00 0.00 O ATOM 0 H SER A 940 -3.680 13.540 -4.374 1.00 0.00 H new ATOM 0 HA SER A 940 -2.420 15.299 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 940 -1.829 14.116 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.762 15.380 -4.850 1.00 0.00 H new ATOM 0 HG SER A 940 -1.031 12.760 -3.990 1.00 0.00 H new ATOM 600 N TYR A 951 -3.722 17.327 4.912 1.00 0.00 N ATOM 601 CA TYR A 951 -2.969 16.116 4.518 1.00 0.00 C ATOM 602 C TYR A 951 -3.228 14.859 5.370 1.00 0.00 C ATOM 603 O TYR A 951 -3.260 13.751 4.837 1.00 0.00 O ATOM 604 CB TYR A 951 -1.487 16.464 4.406 1.00 0.00 C ATOM 605 CG TYR A 951 -1.271 17.544 3.375 1.00 0.00 C ATOM 606 CD1 TYR A 951 -2.129 17.661 2.300 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.268 18.475 3.506 1.00 0.00 C ATOM 608 CE1 TYR A 951 -2.005 18.684 1.397 1.00 0.00 C ATOM 609 CE2 TYR A 951 -0.119 19.502 2.589 1.00 0.00 C ATOM 610 CZ TYR A 951 -1.001 19.599 1.540 1.00 0.00 C ATOM 611 OH TYR A 951 -0.916 20.635 0.654 1.00 0.00 O ATOM 0 HA TYR A 951 -3.353 15.815 3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.112 16.797 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.919 15.575 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.914 16.931 2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.416 18.404 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.700 18.767 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.682 20.219 2.697 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.424 20.345 -0.142 1.00 0.00 H new ATOM 621 N VAL A 952 -3.388 15.016 6.671 1.00 0.00 N ATOM 622 CA VAL A 952 -3.868 13.945 7.527 1.00 0.00 C ATOM 623 C VAL A 952 -5.208 13.390 7.017 1.00 0.00 C ATOM 624 O VAL A 952 -5.436 12.186 7.090 1.00 0.00 O ATOM 625 CB VAL A 952 -4.024 14.413 8.991 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.441 13.262 9.895 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.730 15.038 9.488 1.00 0.00 C ATOM 0 H VAL A 952 -3.190 15.887 7.164 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.119 13.153 7.496 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.812 15.166 9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.543 13.622 10.919 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.395 12.860 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.684 12.479 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.856 15.363 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.927 14.303 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.478 15.897 8.866 1.00 0.00 H new ATOM 637 N PRO A 953 -6.143 14.254 6.548 1.00 0.00 N ATOM 638 CA PRO A 953 -7.360 13.803 5.868 1.00 0.00 C ATOM 639 C PRO A 953 -7.091 12.699 4.834 1.00 0.00 C ATOM 640 O PRO A 953 -7.733 11.647 4.850 1.00 0.00 O ATOM 641 CB PRO A 953 -7.859 15.091 5.223 1.00 0.00 C ATOM 642 CG PRO A 953 -7.540 16.106 6.246 1.00 0.00 C ATOM 643 CD PRO A 953 -6.179 15.715 6.757 1.00 0.00 C ATOM 0 HA PRO A 953 -8.082 13.341 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.354 15.294 4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -8.927 15.051 5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.530 17.109 5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.279 16.107 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.383 16.219 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -6.055 15.974 7.808 1.00 0.00 H new ATOM 651 N MET A 954 -6.131 12.951 3.945 1.00 0.00 N ATOM 652 CA MET A 954 -5.641 11.938 3.004 1.00 0.00 C ATOM 653 C MET A 954 -5.008 10.773 3.744 1.00 0.00 C ATOM 654 O MET A 954 -5.213 9.617 3.383 1.00 0.00 O ATOM 655 CB MET A 954 -4.605 12.557 2.077 1.00 0.00 C ATOM 656 CG MET A 954 -3.534 11.580 1.596 1.00 0.00 C ATOM 657 SD MET A 954 -3.749 11.059 -0.110 1.00 0.00 S ATOM 658 CE MET A 954 -3.237 12.547 -0.964 1.00 0.00 C ATOM 0 H MET A 954 -5.672 13.857 3.855 1.00 0.00 H new ATOM 0 HA MET A 954 -6.490 11.571 2.427 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.114 12.977 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.120 13.385 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.554 12.046 1.704 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.541 10.700 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 954 -3.586 12.513 -1.996 1.00 0.00 H new ATOM 0 HE2 MET A 954 -3.663 13.418 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.149 12.618 -0.951 1.00 0.00 H new ATOM 668 N VAL A 955 -4.239 11.089 4.775 1.00 0.00 N ATOM 669 CA VAL A 955 -3.631 10.060 5.624 1.00 0.00 C ATOM 670 C VAL A 955 -4.687 9.074 6.127 1.00 0.00 C ATOM 671 O VAL A 955 -4.429 7.876 6.230 1.00 0.00 O ATOM 672 CB VAL A 955 -2.881 10.681 6.827 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.467 9.617 7.831 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.660 11.452 6.350 1.00 0.00 C ATOM 0 H VAL A 955 -4.018 12.046 5.049 1.00 0.00 H new ATOM 0 HA VAL A 955 -2.907 9.525 5.009 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.564 11.369 7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -1.943 10.087 8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.353 9.104 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.808 8.897 7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.144 11.883 7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.986 10.777 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -1.974 12.250 5.677 1.00 0.00 H new ATOM 684 N LYS A 956 -5.870 9.572 6.425 1.00 0.00 N ATOM 685 CA LYS A 956 -6.996 8.713 6.772 1.00 0.00 C ATOM 686 C LYS A 956 -7.438 7.858 5.585 1.00 0.00 C ATOM 687 O LYS A 956 -7.699 6.670 5.747 1.00 0.00 O ATOM 688 CB LYS A 956 -8.171 9.551 7.238 1.00 0.00 C ATOM 689 CG LYS A 956 -7.848 10.508 8.363 1.00 0.00 C ATOM 690 CD LYS A 956 -8.778 11.697 8.303 1.00 0.00 C ATOM 691 CE LYS A 956 -8.443 12.736 9.360 1.00 0.00 C ATOM 692 NZ LYS A 956 -9.387 13.885 9.325 1.00 0.00 N ATOM 0 H LYS A 956 -6.082 10.570 6.435 1.00 0.00 H new ATOM 0 HA LYS A 956 -6.665 8.053 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.554 10.121 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.971 8.885 7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -7.950 10.003 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -6.813 10.840 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -8.720 12.153 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -9.806 11.360 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -8.471 12.273 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -7.426 13.096 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -9.125 14.572 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -9.342 14.343 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -10.355 13.545 9.498 1.00 0.00 H new ATOM 706 N GLU A 957 -7.488 8.440 4.392 1.00 0.00 N ATOM 707 CA GLU A 957 -8.062 7.747 3.238 1.00 0.00 C ATOM 708 C GLU A 957 -7.093 6.714 2.672 1.00 0.00 C ATOM 709 O GLU A 957 -7.478 5.581 2.385 1.00 0.00 O ATOM 710 CB GLU A 957 -8.458 8.752 2.156 1.00 0.00 C ATOM 711 CG GLU A 957 -9.654 9.606 2.539 1.00 0.00 C ATOM 712 CD GLU A 957 -10.925 8.792 2.692 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.604 8.549 1.668 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.257 8.398 3.829 1.00 0.00 O ATOM 0 H GLU A 957 -7.143 9.380 4.197 1.00 0.00 H new ATOM 0 HA GLU A 957 -8.955 7.220 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.609 9.402 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.684 8.214 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.442 10.122 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.807 10.373 1.779 1.00 0.00 H new ATOM 721 N VAL A 958 -5.831 7.099 2.534 1.00 0.00 N ATOM 722 CA VAL A 958 -4.809 6.176 2.067 1.00 0.00 C ATOM 723 C VAL A 958 -4.447 5.212 3.182 1.00 0.00 C ATOM 724 O VAL A 958 -4.200 4.037 2.926 1.00 0.00 O ATOM 725 CB VAL A 958 -3.548 6.912 1.541 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.842 7.684 2.648 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.591 5.936 0.873 1.00 0.00 C ATOM 0 H VAL A 958 -5.493 8.040 2.738 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.218 5.619 1.224 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.881 7.635 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.965 8.185 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.523 8.426 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.533 6.994 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.715 6.475 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.281 5.180 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.091 5.453 0.033 1.00 0.00 H new ATOM 737 N GLY A 959 -4.475 5.698 4.418 1.00 0.00 N ATOM 738 CA GLY A 959 -4.204 4.848 5.558 1.00 0.00 C ATOM 739 C GLY A 959 -5.252 3.772 5.701 1.00 0.00 C ATOM 740 O GLY A 959 -4.932 2.611 5.944 1.00 0.00 O ATOM 0 H GLY A 959 -4.682 6.670 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.222 4.389 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.173 5.452 6.465 1.00 0.00 H new ATOM 744 N LEU A 960 -6.510 4.162 5.538 1.00 0.00 N ATOM 745 CA LEU A 960 -7.617 3.217 5.546 1.00 0.00 C ATOM 746 C LEU A 960 -7.495 2.235 4.386 1.00 0.00 C ATOM 747 O LEU A 960 -7.769 1.053 4.545 1.00 0.00 O ATOM 748 CB LEU A 960 -8.958 3.947 5.456 1.00 0.00 C ATOM 749 CG LEU A 960 -10.189 3.057 5.634 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.397 2.725 7.100 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.423 3.725 5.050 1.00 0.00 C ATOM 0 H LEU A 960 -6.789 5.133 5.398 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.576 2.667 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -8.981 4.730 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.022 4.441 4.486 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.022 2.125 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.277 2.091 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.522 2.199 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.542 3.646 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.288 3.075 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.598 4.674 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.270 3.906 3.986 1.00 0.00 H new ATOM 763 N ALA A 961 -7.061 2.706 3.233 1.00 0.00 N ATOM 764 CA ALA A 961 -6.971 1.847 2.063 1.00 0.00 C ATOM 765 C ALA A 961 -5.855 0.818 2.224 1.00 0.00 C ATOM 766 O ALA A 961 -6.097 -0.384 2.191 1.00 0.00 O ATOM 767 CB ALA A 961 -6.736 2.696 0.832 1.00 0.00 C ATOM 0 H ALA A 961 -6.767 3.670 3.079 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.909 1.304 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.668 2.053 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.564 3.394 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.806 3.253 0.946 1.00 0.00 H new ATOM 773 N LEU A 962 -4.635 1.307 2.391 1.00 0.00 N ATOM 774 CA LEU A 962 -3.475 0.466 2.688 1.00 0.00 C ATOM 775 C LEU A 962 -3.655 -0.393 3.950 1.00 0.00 C ATOM 776 O LEU A 962 -3.079 -1.476 4.020 1.00 0.00 O ATOM 777 CB LEU A 962 -2.198 1.333 2.748 1.00 0.00 C ATOM 778 CG LEU A 962 -2.107 2.340 3.901 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.688 1.666 5.195 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.140 3.456 3.547 1.00 0.00 C ATOM 0 H LEU A 962 -4.417 2.301 2.325 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.372 -0.250 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.337 0.668 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.113 1.881 1.809 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.099 2.765 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.633 2.409 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.419 0.902 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.710 1.202 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.084 4.165 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.151 3.036 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.489 3.970 2.652 1.00 0.00 H new ATOM 792 N ARG A 963 -4.422 0.035 4.945 1.00 0.00 N ATOM 793 CA ARG A 963 -4.715 -0.879 6.053 1.00 0.00 C ATOM 794 C ARG A 963 -5.714 -1.945 5.620 1.00 0.00 C ATOM 795 O ARG A 963 -5.623 -3.086 6.055 1.00 0.00 O ATOM 796 CB ARG A 963 -5.245 -0.163 7.288 1.00 0.00 C ATOM 797 CG ARG A 963 -6.684 0.287 7.144 1.00 0.00 C ATOM 798 CD ARG A 963 -7.178 0.986 8.389 1.00 0.00 C ATOM 799 NE ARG A 963 -6.353 2.146 8.722 1.00 0.00 N ATOM 800 CZ ARG A 963 -6.701 3.092 9.591 1.00 0.00 C ATOM 801 NH1 ARG A 963 -7.853 3.020 10.245 1.00 0.00 N ATOM 802 NH2 ARG A 963 -5.887 4.114 9.814 1.00 0.00 N ATOM 0 H ARG A 963 -4.838 0.964 5.014 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.767 -1.344 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.163 -0.827 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.618 0.705 7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.771 0.959 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.316 -0.576 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.210 1.304 8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -7.176 0.286 9.224 1.00 0.00 H new ATOM 0 HE ARG A 963 -5.450 2.236 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -8.482 2.234 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -8.109 3.751 10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -4.997 4.174 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.151 4.841 10.479 1.00 0.00 H new ATOM 816 N THR A 964 -6.674 -1.570 4.777 1.00 0.00 N ATOM 817 CA THR A 964 -7.593 -2.544 4.212 1.00 0.00 C ATOM 818 C THR A 964 -6.795 -3.528 3.371 1.00 0.00 C ATOM 819 O THR A 964 -7.100 -4.718 3.311 1.00 0.00 O ATOM 820 CB THR A 964 -8.697 -1.886 3.348 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.362 -0.862 4.100 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.727 -2.915 2.922 1.00 0.00 C ATOM 0 H THR A 964 -6.832 -0.608 4.475 1.00 0.00 H new ATOM 0 HA THR A 964 -8.098 -3.053 5.033 1.00 0.00 H new ATOM 0 HB THR A 964 -8.223 -1.457 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.877 -0.016 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.494 -2.433 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.241 -3.696 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.187 -3.356 3.806 1.00 0.00 H new ATOM 830 N LEU A 965 -5.741 -3.006 2.756 1.00 0.00 N ATOM 831 CA LEU A 965 -4.792 -3.822 2.011 1.00 0.00 C ATOM 832 C LEU A 965 -4.138 -4.812 2.944 1.00 0.00 C ATOM 833 O LEU A 965 -4.169 -6.022 2.720 1.00 0.00 O ATOM 834 CB LEU A 965 -3.717 -2.943 1.374 1.00 0.00 C ATOM 835 CG LEU A 965 -2.540 -3.706 0.760 1.00 0.00 C ATOM 836 CD1 LEU A 965 -2.961 -4.415 -0.516 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.381 -2.761 0.496 1.00 0.00 C ATOM 0 H LEU A 965 -5.521 -2.010 2.760 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.328 -4.352 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.180 -2.333 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.333 -2.259 2.130 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.212 -4.465 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.108 -4.950 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.759 -5.123 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.318 -3.682 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.551 -3.316 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.698 -1.980 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.061 -2.307 1.434 1.00 0.00 H new ATOM 849 N LEU A 966 -3.571 -4.262 4.009 1.00 0.00 N ATOM 850 CA LEU A 966 -2.915 -5.042 5.033 1.00 0.00 C ATOM 851 C LEU A 966 -3.882 -6.094 5.565 1.00 0.00 C ATOM 852 O LEU A 966 -3.526 -7.239 5.778 1.00 0.00 O ATOM 853 CB LEU A 966 -2.450 -4.084 6.147 1.00 0.00 C ATOM 854 CG LEU A 966 -1.764 -4.716 7.362 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.672 -3.796 7.887 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.778 -4.999 8.464 1.00 0.00 C ATOM 0 H LEU A 966 -3.557 -3.257 4.182 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.046 -5.563 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.763 -3.361 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.318 -3.526 6.499 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.316 -5.659 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.192 -4.257 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.070 -3.629 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.110 -2.842 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -2.271 -5.448 9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.251 -4.066 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.538 -5.686 8.091 1.00 0.00 H new ATOM 868 N ALA A 967 -5.133 -5.689 5.745 1.00 0.00 N ATOM 869 CA ALA A 967 -6.171 -6.575 6.248 1.00 0.00 C ATOM 870 C ALA A 967 -6.533 -7.662 5.241 1.00 0.00 C ATOM 871 O ALA A 967 -6.812 -8.781 5.645 1.00 0.00 O ATOM 872 CB ALA A 967 -7.404 -5.785 6.662 1.00 0.00 C ATOM 0 H ALA A 967 -5.454 -4.741 5.547 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.770 -7.074 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.166 -6.469 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.136 -5.078 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.794 -5.242 5.801 1.00 0.00 H new ATOM 878 N THR A 968 -6.511 -7.368 3.947 1.00 0.00 N ATOM 879 CA THR A 968 -6.795 -8.401 2.952 1.00 0.00 C ATOM 880 C THR A 968 -5.622 -9.379 2.838 1.00 0.00 C ATOM 881 O THR A 968 -5.824 -10.581 2.715 1.00 0.00 O ATOM 882 CB THR A 968 -7.143 -7.811 1.568 1.00 0.00 C ATOM 883 OG1 THR A 968 -8.159 -6.810 1.716 1.00 0.00 O ATOM 884 CG2 THR A 968 -7.653 -8.905 0.640 1.00 0.00 C ATOM 0 H THR A 968 -6.305 -6.445 3.565 1.00 0.00 H new ATOM 0 HA THR A 968 -7.676 -8.940 3.300 1.00 0.00 H new ATOM 0 HB THR A 968 -6.244 -7.369 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 968 -7.763 -5.922 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 968 -7.894 -8.474 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 968 -6.883 -9.667 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.547 -9.358 1.068 1.00 0.00 H new ATOM 892 N VAL A 969 -4.403 -8.860 2.903 1.00 0.00 N ATOM 893 CA VAL A 969 -3.194 -9.703 2.953 1.00 0.00 C ATOM 894 C VAL A 969 -3.134 -10.478 4.273 1.00 0.00 C ATOM 895 O VAL A 969 -2.770 -11.657 4.296 1.00 0.00 O ATOM 896 CB VAL A 969 -1.891 -8.889 2.789 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.682 -9.812 2.688 1.00 0.00 C ATOM 898 CG2 VAL A 969 -1.974 -7.978 1.574 1.00 0.00 C ATOM 0 H VAL A 969 -4.215 -7.858 2.923 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.267 -10.393 2.112 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.769 -8.266 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.223 -9.215 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.607 -10.414 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.796 -10.468 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.046 -7.414 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.128 -8.579 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.808 -7.286 1.694 1.00 0.00 H new ATOM 908 N ASP A 970 -3.566 -9.854 5.351 1.00 0.00 N ATOM 909 CA ASP A 970 -3.562 -10.521 6.649 1.00 0.00 C ATOM 910 C ASP A 970 -4.598 -11.626 6.618 1.00 0.00 C ATOM 911 O ASP A 970 -4.362 -12.761 7.044 1.00 0.00 O ATOM 912 CB ASP A 970 -3.883 -9.541 7.775 1.00 0.00 C ATOM 913 CG ASP A 970 -3.793 -10.190 9.140 1.00 0.00 C ATOM 914 OD1 ASP A 970 -2.688 -10.211 9.719 1.00 0.00 O ATOM 915 OD2 ASP A 970 -4.823 -10.679 9.646 1.00 0.00 O ATOM 0 H ASP A 970 -3.921 -8.898 5.361 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.570 -10.930 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.193 -8.698 7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.886 -9.140 7.631 1.00 0.00 H new ATOM 920 N GLU A 971 -5.733 -11.279 6.034 1.00 0.00 N ATOM 921 CA GLU A 971 -6.855 -12.178 5.889 1.00 0.00 C ATOM 922 C GLU A 971 -6.500 -13.288 4.907 1.00 0.00 C ATOM 923 O GLU A 971 -7.052 -14.385 4.962 1.00 0.00 O ATOM 924 CB GLU A 971 -8.055 -11.367 5.398 1.00 0.00 C ATOM 925 CG GLU A 971 -9.344 -12.160 5.224 1.00 0.00 C ATOM 926 CD GLU A 971 -9.863 -12.749 6.519 1.00 0.00 C ATOM 927 OE1 GLU A 971 -9.787 -12.066 7.563 1.00 0.00 O ATOM 928 OE2 GLU A 971 -10.371 -13.890 6.491 1.00 0.00 O ATOM 0 H GLU A 971 -5.898 -10.351 5.644 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.103 -12.645 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.238 -10.556 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.797 -10.908 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -10.108 -11.510 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.174 -12.965 4.509 1.00 0.00 H new ATOM 935 N SER A 972 -5.552 -12.990 4.022 1.00 0.00 N ATOM 936 CA SER A 972 -5.063 -13.956 3.051 1.00 0.00 C ATOM 937 C SER A 972 -4.182 -15.001 3.707 1.00 0.00 C ATOM 938 O SER A 972 -3.968 -16.069 3.128 1.00 0.00 O ATOM 939 CB SER A 972 -4.317 -13.273 1.901 1.00 0.00 C ATOM 940 OG SER A 972 -5.204 -12.535 1.082 1.00 0.00 O ATOM 0 H SER A 972 -5.105 -12.075 3.960 1.00 0.00 H new ATOM 0 HA SER A 972 -5.936 -14.458 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.552 -12.609 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.803 -14.024 1.301 1.00 0.00 H new ATOM 0 HG SER A 972 -5.316 -11.634 1.450 1.00 0.00 H new ATOM 946 N LEU A 973 -3.682 -14.738 4.908 1.00 0.00 N ATOM 947 CA LEU A 973 -2.968 -15.774 5.634 1.00 0.00 C ATOM 948 C LEU A 973 -3.933 -16.895 6.049 1.00 0.00 C ATOM 949 O LEU A 973 -3.674 -18.059 5.755 1.00 0.00 O ATOM 950 CB LEU A 973 -2.239 -15.202 6.860 1.00 0.00 C ATOM 951 CG LEU A 973 -1.661 -16.252 7.811 1.00 0.00 C ATOM 952 CD1 LEU A 973 -0.676 -17.156 7.080 1.00 0.00 C ATOM 953 CD2 LEU A 973 -0.995 -15.582 9.004 1.00 0.00 C ATOM 0 H LEU A 973 -3.755 -13.841 5.388 1.00 0.00 H new ATOM 0 HA LEU A 973 -2.212 -16.191 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.429 -14.559 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.933 -14.571 7.416 1.00 0.00 H new ATOM 0 HG LEU A 973 -2.480 -16.870 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 973 -0.277 -17.895 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 973 -1.187 -17.665 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 973 0.141 -16.556 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.590 -16.344 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -0.188 -14.938 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.730 -14.984 9.542 1.00 0.00 H new ATOM 965 N PRO A 974 -5.066 -16.585 6.730 1.00 0.00 N ATOM 966 CA PRO A 974 -6.092 -17.600 7.013 1.00 0.00 C ATOM 967 C PRO A 974 -6.860 -18.058 5.766 1.00 0.00 C ATOM 968 O PRO A 974 -7.605 -19.037 5.828 1.00 0.00 O ATOM 969 CB PRO A 974 -7.041 -16.915 8.001 1.00 0.00 C ATOM 970 CG PRO A 974 -6.301 -15.721 8.490 1.00 0.00 C ATOM 971 CD PRO A 974 -5.407 -15.307 7.360 1.00 0.00 C ATOM 0 HA PRO A 974 -5.634 -18.509 7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -7.974 -16.628 7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -7.301 -17.581 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.987 -14.919 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -5.721 -15.958 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.916 -14.637 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.520 -14.783 7.717 1.00 0.00 H new ATOM 979 N VAL A 975 -6.700 -17.357 4.643 1.00 0.00 N ATOM 980 CA VAL A 975 -7.285 -17.823 3.382 1.00 0.00 C ATOM 981 C VAL A 975 -6.612 -19.119 2.949 1.00 0.00 C ATOM 982 O VAL A 975 -7.277 -20.134 2.733 1.00 0.00 O ATOM 983 CB VAL A 975 -7.177 -16.777 2.241 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.475 -17.412 0.887 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.133 -15.622 2.483 1.00 0.00 C ATOM 0 H VAL A 975 -6.181 -16.481 4.578 1.00 0.00 H new ATOM 0 HA VAL A 975 -8.346 -17.987 3.568 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.154 -16.400 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -7.392 -16.657 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.761 -18.213 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.485 -17.821 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.043 -14.899 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.155 -15.998 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -7.888 -15.139 3.429 1.00 0.00 H new ATOM 1049 N THR A 980 2.354 -19.617 4.125 1.00 0.00 N ATOM 1050 CA THR A 980 2.668 -18.450 3.314 1.00 0.00 C ATOM 1051 C THR A 980 2.792 -17.202 4.183 1.00 0.00 C ATOM 1052 O THR A 980 3.035 -16.112 3.667 1.00 0.00 O ATOM 1053 CB THR A 980 1.609 -18.179 2.227 1.00 0.00 C ATOM 1054 OG1 THR A 980 2.143 -17.279 1.260 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.354 -17.572 2.826 1.00 0.00 C ATOM 0 HA THR A 980 3.617 -18.672 2.827 1.00 0.00 H new ATOM 0 HB THR A 980 1.349 -19.129 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.536 -16.505 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.375 -17.391 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 980 -0.068 -18.259 3.560 1.00 0.00 H new ATOM 0 HG23 THR A 980 0.603 -16.629 3.313 1.00 0.00 H new ATOM 1063 N HIS A 981 2.635 -17.370 5.498 1.00 0.00 N ATOM 1064 CA HIS A 981 2.682 -16.242 6.423 1.00 0.00 C ATOM 1065 C HIS A 981 3.914 -15.384 6.174 1.00 0.00 C ATOM 1066 O HIS A 981 3.792 -14.191 6.028 1.00 0.00 O ATOM 1067 CB HIS A 981 2.615 -16.699 7.897 1.00 0.00 C ATOM 1068 CG HIS A 981 3.752 -17.552 8.372 1.00 0.00 C ATOM 1069 ND1 HIS A 981 4.462 -17.284 9.519 1.00 0.00 N ATOM 1070 CD2 HIS A 981 4.271 -18.692 7.871 1.00 0.00 C ATOM 1071 CE1 HIS A 981 5.369 -18.223 9.702 1.00 0.00 C ATOM 1072 NE2 HIS A 981 5.275 -19.095 8.716 1.00 0.00 N ATOM 0 H HIS A 981 2.475 -18.274 5.942 1.00 0.00 H new ATOM 0 HA HIS A 981 1.798 -15.634 6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 981 2.563 -15.813 8.530 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.687 -17.251 8.044 1.00 0.00 H new ATOM 0 HD2 HIS A 981 3.954 -19.196 6.970 1.00 0.00 H new ATOM 0 HE1 HIS A 981 6.071 -18.271 10.521 1.00 0.00 H new ATOM 0 HE2 HIS A 981 5.852 -19.929 8.601 1.00 0.00 H new ATOM 1081 N ARG A 982 5.078 -16.007 6.083 1.00 0.00 N ATOM 1082 CA ARG A 982 6.345 -15.309 5.833 1.00 0.00 C ATOM 1083 C ARG A 982 6.310 -14.396 4.607 1.00 0.00 C ATOM 1084 O ARG A 982 7.109 -13.468 4.521 1.00 0.00 O ATOM 1085 CB ARG A 982 7.478 -16.335 5.746 1.00 0.00 C ATOM 1086 CG ARG A 982 7.144 -17.519 4.834 1.00 0.00 C ATOM 1087 CD ARG A 982 7.589 -17.294 3.401 1.00 0.00 C ATOM 1088 NE ARG A 982 9.002 -17.602 3.212 1.00 0.00 N ATOM 1089 CZ ARG A 982 9.458 -18.427 2.270 1.00 0.00 C ATOM 1090 NH1 ARG A 982 8.616 -19.024 1.433 1.00 0.00 N ATOM 1091 NH2 ARG A 982 10.759 -18.660 2.164 1.00 0.00 N ATOM 0 H ARG A 982 5.179 -17.017 6.180 1.00 0.00 H new ATOM 0 HA ARG A 982 6.523 -14.639 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.379 -15.843 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.703 -16.706 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.622 -18.418 5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 982 6.069 -17.696 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 982 6.991 -17.915 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.404 -16.257 3.123 1.00 0.00 H new ATOM 0 HE ARG A 982 9.679 -17.162 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 982 7.613 -18.852 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 982 8.972 -19.654 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 982 11.412 -18.208 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.107 -19.292 1.443 1.00 0.00 H new ATOM 1105 N GLU A 983 5.406 -14.614 3.685 1.00 0.00 N ATOM 1106 CA GLU A 983 5.220 -13.656 2.611 1.00 0.00 C ATOM 1107 C GLU A 983 4.385 -12.481 3.058 1.00 0.00 C ATOM 1108 O GLU A 983 4.754 -11.326 2.852 1.00 0.00 O ATOM 1109 CB GLU A 983 4.560 -14.298 1.435 1.00 0.00 C ATOM 1110 CG GLU A 983 5.505 -14.491 0.273 1.00 0.00 C ATOM 1111 CD GLU A 983 6.731 -15.305 0.617 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.751 -14.713 1.022 1.00 0.00 O ATOM 1113 OE2 GLU A 983 6.686 -16.540 0.459 1.00 0.00 O ATOM 0 H GLU A 983 4.794 -15.430 3.650 1.00 0.00 H new ATOM 0 HA GLU A 983 6.210 -13.300 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.155 -15.265 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.718 -13.684 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 983 4.971 -14.981 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.819 -13.514 -0.095 1.00 0.00 H new ATOM 1120 N ILE A 984 3.257 -12.781 3.673 1.00 0.00 N ATOM 1121 CA ILE A 984 2.375 -11.759 4.191 1.00 0.00 C ATOM 1122 C ILE A 984 3.122 -11.003 5.284 1.00 0.00 C ATOM 1123 O ILE A 984 2.979 -9.801 5.419 1.00 0.00 O ATOM 1124 CB ILE A 984 1.045 -12.368 4.727 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.147 -12.876 3.581 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.289 -11.378 5.597 1.00 0.00 C ATOM 1127 CD1 ILE A 984 0.598 -14.175 2.951 1.00 0.00 C ATOM 0 H ILE A 984 2.930 -13.735 3.826 1.00 0.00 H new ATOM 0 HA ILE A 984 2.095 -11.074 3.391 1.00 0.00 H new ATOM 0 HB ILE A 984 1.317 -13.224 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.866 -13.006 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.101 -12.110 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.633 -11.837 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.907 -11.097 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 984 0.050 -10.489 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.094 -14.453 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 984 1.598 -14.050 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 984 0.616 -14.959 3.708 1.00 0.00 H new ATOM 1139 N GLU A 985 4.008 -11.703 5.967 1.00 0.00 N ATOM 1140 CA GLU A 985 4.858 -11.100 6.973 1.00 0.00 C ATOM 1141 C GLU A 985 5.693 -9.995 6.355 1.00 0.00 C ATOM 1142 O GLU A 985 5.811 -8.898 6.907 1.00 0.00 O ATOM 1143 CB GLU A 985 5.786 -12.145 7.592 1.00 0.00 C ATOM 1144 CG GLU A 985 5.077 -13.121 8.515 1.00 0.00 C ATOM 1145 CD GLU A 985 4.425 -12.432 9.696 1.00 0.00 C ATOM 1146 OE1 GLU A 985 5.139 -11.748 10.456 1.00 0.00 O ATOM 1147 OE2 GLU A 985 3.202 -12.594 9.884 1.00 0.00 O ATOM 0 H GLU A 985 4.158 -12.704 5.840 1.00 0.00 H new ATOM 0 HA GLU A 985 4.219 -10.685 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 985 6.274 -12.703 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 985 6.571 -11.635 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 985 4.319 -13.664 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 985 5.793 -13.858 8.878 1.00 0.00 H new ATOM 1154 N MET A 986 6.279 -10.297 5.201 1.00 0.00 N ATOM 1155 CA MET A 986 7.156 -9.356 4.539 1.00 0.00 C ATOM 1156 C MET A 986 6.343 -8.220 3.925 1.00 0.00 C ATOM 1157 O MET A 986 6.698 -7.049 4.024 1.00 0.00 O ATOM 1158 CB MET A 986 7.994 -10.074 3.474 1.00 0.00 C ATOM 1159 CG MET A 986 9.038 -11.013 4.054 1.00 0.00 C ATOM 1160 SD MET A 986 10.217 -10.177 5.133 1.00 0.00 S ATOM 1161 CE MET A 986 11.179 -11.574 5.708 1.00 0.00 C ATOM 0 H MET A 986 6.159 -11.184 4.712 1.00 0.00 H new ATOM 0 HA MET A 986 7.837 -8.926 5.274 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.330 -10.641 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.492 -9.330 2.852 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.537 -11.802 4.615 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.578 -11.495 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.955 -11.225 6.389 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.527 -12.275 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.641 -12.073 4.856 1.00 0.00 H new ATOM 1171 N ALA A 987 5.228 -8.605 3.304 1.00 0.00 N ATOM 1172 CA ALA A 987 4.355 -7.680 2.588 1.00 0.00 C ATOM 1173 C ALA A 987 3.698 -6.676 3.525 1.00 0.00 C ATOM 1174 O ALA A 987 3.724 -5.470 3.267 1.00 0.00 O ATOM 1175 CB ALA A 987 3.293 -8.462 1.833 1.00 0.00 C ATOM 0 H ALA A 987 4.905 -9.572 3.285 1.00 0.00 H new ATOM 0 HA ALA A 987 4.969 -7.116 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 987 2.642 -7.770 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 987 3.773 -9.132 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.701 -9.046 2.538 1.00 0.00 H new ATOM 1181 N GLN A 988 3.115 -7.183 4.609 1.00 0.00 N ATOM 1182 CA GLN A 988 2.495 -6.319 5.615 1.00 0.00 C ATOM 1183 C GLN A 988 3.505 -5.310 6.127 1.00 0.00 C ATOM 1184 O GLN A 988 3.180 -4.144 6.309 1.00 0.00 O ATOM 1185 CB GLN A 988 1.973 -7.124 6.809 1.00 0.00 C ATOM 1186 CG GLN A 988 0.986 -8.204 6.443 1.00 0.00 C ATOM 1187 CD GLN A 988 -0.365 -7.683 6.043 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -0.603 -7.354 4.887 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -1.260 -7.609 7.002 1.00 0.00 N ATOM 0 H GLN A 988 3.058 -8.181 4.814 1.00 0.00 H new ATOM 0 HA GLN A 988 1.657 -5.815 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 988 2.819 -7.580 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 988 1.501 -6.441 7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 988 1.395 -8.793 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 988 0.868 -8.878 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.016 -7.894 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -2.199 -7.266 6.798 1.00 0.00 H new ATOM 1198 N LYS A 989 4.735 -5.768 6.335 1.00 0.00 N ATOM 1199 CA LYS A 989 5.800 -4.918 6.850 1.00 0.00 C ATOM 1200 C LYS A 989 6.272 -3.923 5.797 1.00 0.00 C ATOM 1201 O LYS A 989 6.602 -2.779 6.111 1.00 0.00 O ATOM 1202 CB LYS A 989 6.976 -5.777 7.318 1.00 0.00 C ATOM 1203 CG LYS A 989 8.241 -5.635 6.477 1.00 0.00 C ATOM 1204 CD LYS A 989 9.300 -6.665 6.838 1.00 0.00 C ATOM 1205 CE LYS A 989 10.095 -6.283 8.080 1.00 0.00 C ATOM 1206 NZ LYS A 989 9.242 -6.153 9.289 1.00 0.00 N ATOM 0 H LYS A 989 5.019 -6.731 6.153 1.00 0.00 H new ATOM 0 HA LYS A 989 5.403 -4.355 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 989 7.211 -5.517 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.669 -6.823 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.985 -5.736 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 989 8.652 -4.634 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.821 -7.630 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 989 9.984 -6.787 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.862 -7.036 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.610 -5.339 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 9.802 -6.381 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 8.888 -5.178 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 8.438 -6.809 9.219 1.00 0.00 H new ATOM 1220 N LEU A 990 6.351 -4.386 4.556 1.00 0.00 N ATOM 1221 CA LEU A 990 6.779 -3.541 3.465 1.00 0.00 C ATOM 1222 C LEU A 990 5.936 -2.270 3.363 1.00 0.00 C ATOM 1223 O LEU A 990 6.463 -1.164 3.470 1.00 0.00 O ATOM 1224 CB LEU A 990 6.712 -4.311 2.163 1.00 0.00 C ATOM 1225 CG LEU A 990 6.969 -3.452 0.950 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.444 -3.078 0.865 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.504 -4.162 -0.311 1.00 0.00 C ATOM 0 H LEU A 990 6.123 -5.343 4.287 1.00 0.00 H new ATOM 0 HA LEU A 990 7.807 -3.239 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.442 -5.120 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.729 -4.772 2.072 1.00 0.00 H new ATOM 0 HG LEU A 990 6.396 -2.530 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 990 8.612 -2.458 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.731 -2.524 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.045 -3.984 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 990 6.697 -3.529 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.046 -5.101 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.436 -4.366 -0.241 1.00 0.00 H new ATOM 1239 N LEU A 991 4.630 -2.429 3.178 1.00 0.00 N ATOM 1240 CA LEU A 991 3.728 -1.282 3.088 1.00 0.00 C ATOM 1241 C LEU A 991 3.739 -0.517 4.399 1.00 0.00 C ATOM 1242 O LEU A 991 3.591 0.703 4.440 1.00 0.00 O ATOM 1243 CB LEU A 991 2.304 -1.754 2.770 1.00 0.00 C ATOM 1244 CG LEU A 991 1.588 -2.541 3.886 1.00 0.00 C ATOM 1245 CD1 LEU A 991 0.704 -1.626 4.721 1.00 0.00 C ATOM 1246 CD2 LEU A 991 0.764 -3.681 3.312 1.00 0.00 C ATOM 0 H LEU A 991 4.172 -3.336 3.088 1.00 0.00 H new ATOM 0 HA LEU A 991 4.068 -0.625 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 991 1.700 -0.881 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.340 -2.379 1.878 1.00 0.00 H new ATOM 0 HG LEU A 991 2.358 -2.963 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.212 -2.208 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 991 1.315 -0.849 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -0.049 -1.165 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 991 0.271 -4.218 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 991 0.012 -3.280 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 991 1.417 -4.364 2.769 1.00 0.00 H new ATOM 1258 N ASN A 992 3.943 -1.281 5.453 1.00 0.00 N ATOM 1259 CA ASN A 992 3.887 -0.813 6.826 1.00 0.00 C ATOM 1260 C ASN A 992 4.793 0.393 7.077 1.00 0.00 C ATOM 1261 O ASN A 992 4.332 1.448 7.512 1.00 0.00 O ATOM 1262 CB ASN A 992 4.325 -1.972 7.699 1.00 0.00 C ATOM 1263 CG ASN A 992 4.116 -1.746 9.180 1.00 0.00 C ATOM 1264 OD1 ASN A 992 4.934 -1.119 9.852 1.00 0.00 O ATOM 1265 ND2 ASN A 992 3.035 -2.309 9.708 1.00 0.00 N ATOM 0 H ASN A 992 4.159 -2.275 5.377 1.00 0.00 H new ATOM 0 HA ASN A 992 2.873 -0.484 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.778 -2.866 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 992 5.382 -2.169 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.856 -2.231 10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.383 -2.820 9.112 1.00 0.00 H new ATOM 1272 N SER A 993 6.076 0.243 6.805 1.00 0.00 N ATOM 1273 CA SER A 993 7.018 1.320 7.063 1.00 0.00 C ATOM 1274 C SER A 993 6.993 2.392 5.969 1.00 0.00 C ATOM 1275 O SER A 993 7.333 3.543 6.234 1.00 0.00 O ATOM 1276 CB SER A 993 8.428 0.764 7.268 1.00 0.00 C ATOM 1277 OG SER A 993 8.445 -0.211 8.304 1.00 0.00 O ATOM 0 H SER A 993 6.488 -0.603 6.410 1.00 0.00 H new ATOM 0 HA SER A 993 6.705 1.812 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.786 0.320 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.111 1.576 7.517 1.00 0.00 H new ATOM 0 HG SER A 993 9.356 -0.554 8.416 1.00 0.00 H new ATOM 1283 N ASP A 994 6.589 2.040 4.757 1.00 0.00 N ATOM 1284 CA ASP A 994 6.507 3.055 3.705 1.00 0.00 C ATOM 1285 C ASP A 994 5.324 4.001 3.932 1.00 0.00 C ATOM 1286 O ASP A 994 5.418 5.199 3.692 1.00 0.00 O ATOM 1287 CB ASP A 994 6.477 2.427 2.314 1.00 0.00 C ATOM 1288 CG ASP A 994 7.878 2.213 1.779 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.511 1.199 2.141 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.372 3.083 1.025 1.00 0.00 O ATOM 0 H ASP A 994 6.321 1.096 4.479 1.00 0.00 H new ATOM 0 HA ASP A 994 7.415 3.656 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.951 1.473 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.919 3.071 1.634 1.00 0.00 H new ATOM 1295 N LEU A 995 4.211 3.449 4.403 1.00 0.00 N ATOM 1296 CA LEU A 995 3.061 4.244 4.852 1.00 0.00 C ATOM 1297 C LEU A 995 3.425 5.032 6.102 1.00 0.00 C ATOM 1298 O LEU A 995 2.838 6.080 6.357 1.00 0.00 O ATOM 1299 CB LEU A 995 1.835 3.364 5.123 1.00 0.00 C ATOM 1300 CG LEU A 995 1.726 2.811 6.553 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.787 3.665 7.396 1.00 0.00 C ATOM 1302 CD2 LEU A 995 1.268 1.364 6.547 1.00 0.00 C ATOM 0 H LEU A 995 4.075 2.442 4.486 1.00 0.00 H new ATOM 0 HA LEU A 995 2.803 4.936 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 995 0.938 3.943 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.849 2.525 4.427 1.00 0.00 H new ATOM 0 HG LEU A 995 2.719 2.850 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.727 3.253 8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.167 4.685 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.205 3.668 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.200 1.000 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.290 1.294 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.985 0.758 5.993 1.00 0.00 H new ATOM 1314 N ALA A 996 4.401 4.583 6.857 1.00 0.00 N ATOM 1315 CA ALA A 996 4.884 5.399 7.967 1.00 0.00 C ATOM 1316 C ALA A 996 5.800 6.504 7.435 1.00 0.00 C ATOM 1317 O ALA A 996 5.884 7.590 8.015 1.00 0.00 O ATOM 1318 CB ALA A 996 5.565 4.557 9.033 1.00 0.00 C ATOM 0 H ALA A 996 4.870 3.685 6.736 1.00 0.00 H new ATOM 0 HA ALA A 996 4.028 5.867 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.910 5.202 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.857 3.828 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.417 4.036 8.596 1.00 0.00 H new ATOM 1324 N GLU A 997 6.420 6.255 6.295 1.00 0.00 N ATOM 1325 CA GLU A 997 7.210 7.274 5.615 1.00 0.00 C ATOM 1326 C GLU A 997 6.278 8.290 4.956 1.00 0.00 C ATOM 1327 O GLU A 997 6.501 9.498 5.046 1.00 0.00 O ATOM 1328 CB GLU A 997 8.114 6.628 4.560 1.00 0.00 C ATOM 1329 CG GLU A 997 9.126 7.586 3.957 1.00 0.00 C ATOM 1330 CD GLU A 997 10.173 8.030 4.959 1.00 0.00 C ATOM 1331 OE1 GLU A 997 9.852 8.850 5.842 1.00 0.00 O ATOM 1332 OE2 GLU A 997 11.329 7.571 4.857 1.00 0.00 O ATOM 0 H GLU A 997 6.393 5.354 5.817 1.00 0.00 H new ATOM 0 HA GLU A 997 7.838 7.784 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.644 5.790 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.493 6.219 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.618 7.105 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.606 8.461 3.568 1.00 0.00 H new ATOM 1339 N LEU A 998 5.216 7.792 4.326 1.00 0.00 N ATOM 1340 CA LEU A 998 4.254 8.642 3.632 1.00 0.00 C ATOM 1341 C LEU A 998 3.654 9.688 4.563 1.00 0.00 C ATOM 1342 O LEU A 998 3.606 10.875 4.235 1.00 0.00 O ATOM 1343 CB LEU A 998 3.128 7.798 3.028 1.00 0.00 C ATOM 1344 CG LEU A 998 1.713 8.378 3.198 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.160 8.866 1.872 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.780 7.354 3.825 1.00 0.00 C ATOM 0 H LEU A 998 5.000 6.796 4.283 1.00 0.00 H new ATOM 0 HA LEU A 998 4.794 9.156 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.324 7.667 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.154 6.807 3.482 1.00 0.00 H new ATOM 0 HG LEU A 998 1.782 9.234 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.159 9.271 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.810 9.644 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.113 8.034 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.214 7.787 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.723 6.473 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.161 7.066 4.805 1.00 0.00 H new ATOM 1358 N ILE A 999 3.229 9.244 5.741 1.00 0.00 N ATOM 1359 CA ILE A 999 2.527 10.114 6.682 1.00 0.00 C ATOM 1360 C ILE A 999 3.444 11.207 7.212 1.00 0.00 C ATOM 1361 O ILE A 999 3.019 12.345 7.351 1.00 0.00 O ATOM 1362 CB ILE A 999 1.938 9.310 7.864 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.944 8.261 7.350 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.253 10.240 8.859 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.423 7.334 8.430 1.00 0.00 C ATOM 0 H ILE A 999 3.358 8.287 6.068 1.00 0.00 H new ATOM 0 HA ILE A 999 1.707 10.578 6.134 1.00 0.00 H new ATOM 0 HB ILE A 999 2.756 8.801 8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.101 8.770 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.426 7.666 6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.845 9.654 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 999 1.978 10.956 9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.445 10.775 8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.274 6.620 7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.257 6.796 8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.089 7.918 9.195 1.00 0.00 H new ATOM 1377 N ASN A1000 4.703 10.875 7.482 1.00 0.00 N ATOM 1378 CA ASN A1000 5.651 11.868 7.994 1.00 0.00 C ATOM 1379 C ASN A1000 5.871 13.008 6.993 1.00 0.00 C ATOM 1380 O ASN A1000 5.994 14.172 7.373 1.00 0.00 O ATOM 1381 CB ASN A1000 6.990 11.213 8.341 1.00 0.00 C ATOM 1382 CG ASN A1000 7.009 10.631 9.742 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.331 11.323 10.707 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.682 9.356 9.869 1.00 0.00 N ATOM 0 H ASN A1000 5.090 9.939 7.358 1.00 0.00 H new ATOM 0 HA ASN A1000 5.217 12.291 8.900 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.201 10.423 7.620 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.786 11.951 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.692 8.916 10.789 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.420 8.812 9.047 1.00 0.00 H new ATOM 1391 N LYS A1001 5.883 12.664 5.713 1.00 0.00 N ATOM 1392 CA LYS A1001 6.137 13.634 4.651 1.00 0.00 C ATOM 1393 C LYS A1001 4.879 14.447 4.398 1.00 0.00 C ATOM 1394 O LYS A1001 4.909 15.667 4.239 1.00 0.00 O ATOM 1395 CB LYS A1001 6.553 12.919 3.362 1.00 0.00 C ATOM 1396 CG LYS A1001 7.676 11.914 3.543 1.00 0.00 C ATOM 1397 CD LYS A1001 8.962 12.570 4.011 1.00 0.00 C ATOM 1398 CE LYS A1001 10.058 11.537 4.207 1.00 0.00 C ATOM 1399 NZ LYS A1001 11.373 12.163 4.498 1.00 0.00 N ATOM 0 H LYS A1001 5.719 11.714 5.381 1.00 0.00 H new ATOM 0 HA LYS A1001 6.946 14.294 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.685 12.406 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.862 13.665 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A1001 7.372 11.158 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.855 11.398 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.283 13.312 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.785 13.100 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A1001 9.785 10.871 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.140 10.923 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 12.003 11.460 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 11.797 12.507 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 11.241 12.961 5.152 1.00 0.00 H new ATOM 1413 N MET A1002 3.767 13.745 4.424 1.00 0.00 N ATOM 1414 CA MET A1002 2.459 14.344 4.244 1.00 0.00 C ATOM 1415 C MET A1002 2.192 15.306 5.390 1.00 0.00 C ATOM 1416 O MET A1002 1.498 16.321 5.253 1.00 0.00 O ATOM 1417 CB MET A1002 1.404 13.233 4.238 1.00 0.00 C ATOM 1418 CG MET A1002 0.040 13.667 3.735 1.00 0.00 C ATOM 1419 SD MET A1002 0.121 14.545 2.158 1.00 0.00 S ATOM 1420 CE MET A1002 -1.584 14.433 1.618 1.00 0.00 C ATOM 0 H MET A1002 3.743 12.736 4.571 1.00 0.00 H new ATOM 0 HA MET A1002 2.418 14.889 3.301 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.762 12.412 3.617 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.298 12.844 5.251 1.00 0.00 H new ATOM 0 HG2 MET A1002 -0.597 12.790 3.625 1.00 0.00 H new ATOM 0 HG3 MET A1002 -0.429 14.310 4.480 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.836 15.312 1.024 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.716 13.536 1.013 1.00 0.00 H new ATOM 0 HE3 MET A1002 -2.239 14.383 2.488 1.00 0.00 H new ATOM 1430 N LYS A1003 2.829 15.000 6.511 1.00 0.00 N ATOM 1431 CA LYS A1003 2.513 15.617 7.775 1.00 0.00 C ATOM 1432 C LYS A1003 3.017 17.046 7.809 1.00 0.00 C ATOM 1433 O LYS A1003 2.264 17.980 8.079 1.00 0.00 O ATOM 1434 CB LYS A1003 3.154 14.825 8.910 1.00 0.00 C ATOM 1435 CG LYS A1003 2.338 14.808 10.184 1.00 0.00 C ATOM 1436 CD LYS A1003 1.023 14.075 9.986 1.00 0.00 C ATOM 1437 CE LYS A1003 0.324 13.823 11.315 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.189 15.063 12.129 1.00 0.00 N ATOM 0 H LYS A1003 3.581 14.313 6.561 1.00 0.00 H new ATOM 0 HA LYS A1003 1.430 15.622 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.313 13.799 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.136 15.247 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.909 14.327 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.142 15.831 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.373 14.660 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.206 13.125 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.665 13.404 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A1003 0.884 13.079 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -0.450 14.885 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.123 15.346 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -0.201 15.825 11.539 1.00 0.00 H new ATOM 1452 N LEU A1004 4.297 17.215 7.513 1.00 0.00 N ATOM 1453 CA LEU A1004 4.905 18.533 7.499 1.00 0.00 C ATOM 1454 C LEU A1004 4.537 19.292 6.238 1.00 0.00 C ATOM 1455 O LEU A1004 4.745 20.500 6.156 1.00 0.00 O ATOM 1456 CB LEU A1004 6.429 18.463 7.654 1.00 0.00 C ATOM 1457 CG LEU A1004 6.926 18.120 9.066 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.766 16.636 9.364 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.375 18.546 9.245 1.00 0.00 C ATOM 0 H LEU A1004 4.934 16.453 7.279 1.00 0.00 H new ATOM 0 HA LEU A1004 4.509 19.074 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.815 17.718 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.853 19.423 7.360 1.00 0.00 H new ATOM 0 HG LEU A1004 6.312 18.673 9.777 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.127 16.426 10.371 1.00 0.00 H new ATOM 0 HD12 LEU A1004 5.714 16.362 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.343 16.056 8.644 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.707 18.294 10.252 1.00 0.00 H new ATOM 0 HD22 LEU A1004 8.999 18.028 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.459 19.622 9.094 1.00 0.00 H new ATOM 1471 N ALA A1005 3.964 18.607 5.266 1.00 0.00 N ATOM 1472 CA ALA A1005 3.591 19.282 4.042 1.00 0.00 C ATOM 1473 C ALA A1005 2.457 20.264 4.326 1.00 0.00 C ATOM 1474 O ALA A1005 2.454 21.363 3.794 1.00 0.00 O ATOM 1475 CB ALA A1005 3.240 18.300 2.937 1.00 0.00 C ATOM 0 H ALA A1005 3.752 17.610 5.298 1.00 0.00 H new ATOM 0 HA ALA A1005 4.450 19.845 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.966 18.849 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.101 17.665 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.401 17.680 3.254 1.00 0.00 H new ATOM 1481 N GLN A1006 1.494 19.875 5.151 1.00 0.00 N ATOM 1482 CA GLN A1006 0.499 20.831 5.650 1.00 0.00 C ATOM 1483 C GLN A1006 1.083 21.744 6.722 1.00 0.00 C ATOM 1484 O GLN A1006 0.702 22.917 6.785 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.768 20.129 6.150 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.526 19.101 7.244 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.651 19.682 8.637 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.434 20.603 8.869 1.00 0.00 O ATOM 1489 NE2 GLN A1006 0.132 19.165 9.565 1.00 0.00 N ATOM 0 H GLN A1006 1.376 18.920 5.488 1.00 0.00 H new ATOM 0 HA GLN A1006 0.212 21.457 4.805 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.463 20.882 6.523 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.253 19.637 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.238 18.284 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.470 18.675 7.121 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.767 18.402 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.102 19.528 10.518 1.00 0.00 H new ATOM 1498 N GLN A1007 2.022 21.239 7.523 1.00 0.00 N ATOM 1499 CA GLN A1007 2.702 22.068 8.523 1.00 0.00 C ATOM 1500 C GLN A1007 3.141 23.392 7.912 1.00 0.00 C ATOM 1501 O GLN A1007 2.871 24.461 8.455 1.00 0.00 O ATOM 1502 CB GLN A1007 3.906 21.331 9.103 1.00 0.00 C ATOM 1503 CG GLN A1007 3.532 20.307 10.161 1.00 0.00 C ATOM 1504 CD GLN A1007 3.356 20.926 11.534 1.00 0.00 C ATOM 1505 OE1 GLN A1007 4.299 20.977 12.325 1.00 0.00 O ATOM 1506 NE2 GLN A1007 2.164 21.419 11.827 1.00 0.00 N ATOM 0 H GLN A1007 2.329 20.266 7.501 1.00 0.00 H new ATOM 0 HA GLN A1007 1.998 22.273 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.440 20.830 8.295 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.593 22.057 9.537 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.607 19.810 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.305 19.540 10.209 1.00 0.00 H new ATOM 0 HE21 GLN A1007 1.406 21.359 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A1007 2.003 21.859 12.733 1.00 0.00 H new ATOM 1515 N TYR A1008 3.802 23.329 6.769 1.00 0.00 N ATOM 1516 CA TYR A1008 4.085 24.541 6.034 1.00 0.00 C ATOM 1517 C TYR A1008 3.602 24.419 4.598 1.00 0.00 C ATOM 1518 O TYR A1008 4.342 24.711 3.654 1.00 0.00 O ATOM 1519 CB TYR A1008 5.568 24.915 6.092 1.00 0.00 C ATOM 1520 CG TYR A1008 5.973 25.567 7.397 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.277 24.805 8.516 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.049 26.950 7.505 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.637 25.401 9.708 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.411 27.553 8.694 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.707 26.774 9.791 1.00 0.00 C ATOM 1526 OH TYR A1008 7.067 27.371 10.978 1.00 0.00 O ATOM 0 H TYR A1008 4.145 22.469 6.340 1.00 0.00 H new ATOM 0 HA TYR A1008 3.537 25.352 6.513 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.168 24.017 5.941 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.797 25.593 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A1008 6.231 23.728 8.453 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.821 27.563 6.646 1.00 0.00 H new ATOM 0 HE1 TYR A1008 6.863 24.793 10.572 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.462 28.630 8.763 1.00 0.00 H new ATOM 0 HH TYR A1008 7.069 28.345 10.867 1.00 0.00 H new ATOM 1536 N VAL A1009 2.348 23.961 4.446 1.00 0.00 N ATOM 1537 CA VAL A1009 1.625 24.024 3.169 1.00 0.00 C ATOM 1538 C VAL A1009 1.691 25.441 2.614 1.00 0.00 C ATOM 1539 O VAL A1009 1.498 25.674 1.420 1.00 0.00 O ATOM 1540 CB VAL A1009 0.137 23.626 3.348 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.542 24.608 4.292 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.582 23.576 2.007 1.00 0.00 C ATOM 0 H VAL A1009 1.811 23.539 5.203 1.00 0.00 H new ATOM 0 HA VAL A1009 2.096 23.323 2.480 1.00 0.00 H new ATOM 0 HB VAL A1009 0.090 22.627 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.588 24.328 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.042 24.587 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.483 25.613 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.623 23.294 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.538 24.557 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.100 22.841 1.363 1.00 0.00 H new ATOM 1552 N MET A1010 1.946 26.370 3.526 1.00 0.00 N ATOM 1553 CA MET A1010 2.209 27.766 3.196 1.00 0.00 C ATOM 1554 C MET A1010 3.039 27.895 1.918 1.00 0.00 C ATOM 1555 O MET A1010 2.678 28.661 1.027 1.00 0.00 O ATOM 1556 CB MET A1010 2.935 28.441 4.362 1.00 0.00 C ATOM 1557 CG MET A1010 2.115 28.482 5.641 1.00 0.00 C ATOM 1558 SD MET A1010 3.055 29.086 7.057 1.00 0.00 S ATOM 1559 CE MET A1010 3.482 30.738 6.509 1.00 0.00 C ATOM 0 H MET A1010 1.977 26.174 4.527 1.00 0.00 H new ATOM 0 HA MET A1010 1.253 28.259 3.022 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.868 27.912 4.554 1.00 0.00 H new ATOM 0 HB3 MET A1010 3.199 29.459 4.076 1.00 0.00 H new ATOM 0 HG2 MET A1010 1.245 29.121 5.489 1.00 0.00 H new ATOM 0 HG3 MET A1010 1.741 27.482 5.859 1.00 0.00 H new ATOM 0 HE1 MET A1010 3.842 31.321 7.357 1.00 0.00 H new ATOM 0 HE2 MET A1010 4.263 30.679 5.751 1.00 0.00 H new ATOM 0 HE3 MET A1010 2.601 31.220 6.086 1.00 0.00 H new ATOM 1569 N THR A1011 4.146 27.145 1.832 1.00 0.00 N ATOM 1570 CA THR A1011 4.985 27.149 0.623 1.00 0.00 C ATOM 1571 C THR A1011 6.080 26.078 0.658 1.00 0.00 C ATOM 1572 O THR A1011 5.920 24.986 0.095 1.00 0.00 O ATOM 1573 CB THR A1011 5.663 28.521 0.390 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.594 29.318 1.581 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.023 29.267 -0.774 1.00 0.00 C ATOM 0 H THR A1011 4.480 26.533 2.576 1.00 0.00 H new ATOM 0 HA THR A1011 4.298 26.931 -0.195 1.00 0.00 H new ATOM 0 HB THR A1011 6.708 28.338 0.140 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.027 30.182 1.422 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.523 30.226 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.121 28.674 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A1011 3.967 29.435 -0.562 1.00 0.00 H new ATOM 1583 N SER A1012 7.177 26.406 1.345 1.00 0.00 N ATOM 1584 CA SER A1012 8.417 25.630 1.304 1.00 0.00 C ATOM 1585 C SER A1012 8.191 24.140 1.542 1.00 0.00 C ATOM 1586 O SER A1012 8.327 23.317 0.616 1.00 0.00 O ATOM 1587 CB SER A1012 9.377 26.183 2.354 1.00 0.00 C ATOM 1588 OG SER A1012 9.339 27.601 2.366 1.00 0.00 O ATOM 0 H SER A1012 7.229 27.225 1.951 1.00 0.00 H new ATOM 0 HA SER A1012 8.838 25.726 0.303 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.110 25.798 3.338 1.00 0.00 H new ATOM 0 HB3 SER A1012 10.391 25.843 2.143 1.00 0.00 H new ATOM 0 HG SER A1012 9.959 27.939 3.046 1.00 0.00 H new ATOM 1594 N LEU A1013 7.866 23.787 2.786 1.00 0.00 N ATOM 1595 CA LEU A1013 7.613 22.409 3.154 1.00 0.00 C ATOM 1596 C LEU A1013 6.710 21.707 2.187 1.00 0.00 C ATOM 1597 O LEU A1013 6.983 20.573 1.821 1.00 0.00 O ATOM 1598 CB LEU A1013 6.970 22.330 4.529 1.00 0.00 C ATOM 1599 CG LEU A1013 7.932 21.936 5.658 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.116 22.889 5.720 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.224 21.908 6.998 1.00 0.00 C ATOM 0 H LEU A1013 7.773 24.449 3.556 1.00 0.00 H new ATOM 0 HA LEU A1013 8.586 21.917 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.528 23.298 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.155 21.607 4.494 1.00 0.00 H new ATOM 0 HG LEU A1013 8.298 20.933 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A1013 9.783 22.589 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A1013 9.656 22.860 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A1013 8.758 23.902 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A1013 7.932 21.626 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A1013 6.819 22.896 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.412 21.182 6.965 1.00 0.00 H new ATOM 1613 N GLN A1014 5.657 22.379 1.755 1.00 0.00 N ATOM 1614 CA GLN A1014 4.604 21.689 1.060 1.00 0.00 C ATOM 1615 C GLN A1014 5.156 20.921 -0.128 1.00 0.00 C ATOM 1616 O GLN A1014 5.052 19.706 -0.185 1.00 0.00 O ATOM 1617 CB GLN A1014 3.496 22.638 0.606 1.00 0.00 C ATOM 1618 CG GLN A1014 2.757 22.134 -0.621 1.00 0.00 C ATOM 1619 CD GLN A1014 1.907 20.899 -0.387 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.918 20.675 -1.076 1.00 0.00 O ATOM 1621 NE2 GLN A1014 2.289 20.082 0.575 1.00 0.00 N ATOM 0 H GLN A1014 5.516 23.382 1.874 1.00 0.00 H new ATOM 0 HA GLN A1014 4.165 20.984 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.786 22.777 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.927 23.615 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.117 22.933 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A1014 3.485 21.915 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.117 20.299 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A1014 1.756 19.233 0.765 1.00 0.00 H new ATOM 1630 N GLN A1015 5.806 21.635 -1.032 1.00 0.00 N ATOM 1631 CA GLN A1015 6.179 21.061 -2.311 1.00 0.00 C ATOM 1632 C GLN A1015 7.237 19.988 -2.138 1.00 0.00 C ATOM 1633 O GLN A1015 7.229 18.984 -2.842 1.00 0.00 O ATOM 1634 CB GLN A1015 6.656 22.149 -3.267 1.00 0.00 C ATOM 1635 CG GLN A1015 5.643 23.267 -3.450 1.00 0.00 C ATOM 1636 CD GLN A1015 6.072 24.282 -4.487 1.00 0.00 C ATOM 1637 OE1 GLN A1015 5.750 24.154 -5.669 1.00 0.00 O ATOM 1638 NE2 GLN A1015 6.803 25.294 -4.055 1.00 0.00 N ATOM 0 H GLN A1015 6.084 22.608 -0.904 1.00 0.00 H new ATOM 0 HA GLN A1015 5.296 20.590 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A1015 7.589 22.570 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A1015 6.874 21.702 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A1015 4.684 22.838 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A1015 5.489 23.772 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A1015 7.047 25.362 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A1015 7.123 26.008 -4.709 1.00 0.00 H new ATOM 1647 N GLU A1016 8.129 20.176 -1.181 1.00 0.00 N ATOM 1648 CA GLU A1016 9.144 19.168 -0.915 1.00 0.00 C ATOM 1649 C GLU A1016 8.544 17.956 -0.203 1.00 0.00 C ATOM 1650 O GLU A1016 8.852 16.814 -0.528 1.00 0.00 O ATOM 1651 CB GLU A1016 10.246 19.746 -0.047 1.00 0.00 C ATOM 1652 CG GLU A1016 11.378 18.768 0.197 1.00 0.00 C ATOM 1653 CD GLU A1016 12.303 18.632 -0.994 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.699 19.671 -1.562 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.670 17.489 -1.339 1.00 0.00 O ATOM 0 H GLU A1016 8.173 21.002 -0.584 1.00 0.00 H new ATOM 0 HA GLU A1016 9.553 18.853 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.643 20.643 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.825 20.053 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A1016 11.954 19.095 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.961 17.791 0.441 1.00 0.00 H new ATOM 1662 N TYR A1017 7.671 18.218 0.748 1.00 0.00 N ATOM 1663 CA TYR A1017 7.112 17.190 1.599 1.00 0.00 C ATOM 1664 C TYR A1017 6.078 16.366 0.877 1.00 0.00 C ATOM 1665 O TYR A1017 5.925 15.181 1.106 1.00 0.00 O ATOM 1666 CB TYR A1017 6.493 17.868 2.809 1.00 0.00 C ATOM 1667 CG TYR A1017 7.514 17.899 3.925 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.693 16.794 4.747 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.353 18.989 4.106 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.675 16.772 5.716 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.329 18.983 5.085 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.489 17.870 5.883 1.00 0.00 C ATOM 1673 OH TYR A1017 10.482 17.844 6.838 1.00 0.00 O ATOM 0 H TYR A1017 7.328 19.156 0.953 1.00 0.00 H new ATOM 0 HA TYR A1017 7.905 16.506 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.180 18.881 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.601 17.329 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.051 15.934 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.242 19.856 3.472 1.00 0.00 H new ATOM 0 HE1 TYR A1017 8.804 15.900 6.339 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.963 19.846 5.224 1.00 0.00 H new ATOM 0 HH TYR A1017 10.968 18.695 6.828 1.00 0.00 H new ATOM 1683 N LYS A1018 5.366 17.064 -0.002 1.00 0.00 N ATOM 1684 CA LYS A1018 4.252 16.530 -0.768 1.00 0.00 C ATOM 1685 C LYS A1018 4.749 15.729 -1.955 1.00 0.00 C ATOM 1686 O LYS A1018 4.202 14.677 -2.281 1.00 0.00 O ATOM 1687 CB LYS A1018 3.391 17.676 -1.278 1.00 0.00 C ATOM 1688 CG LYS A1018 2.075 17.255 -1.892 1.00 0.00 C ATOM 1689 CD LYS A1018 1.032 16.983 -0.825 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.358 17.189 -1.385 1.00 0.00 C ATOM 1691 NZ LYS A1018 -0.469 18.486 -2.111 1.00 0.00 N ATOM 0 H LYS A1018 5.556 18.045 -0.205 1.00 0.00 H new ATOM 0 HA LYS A1018 3.670 15.878 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A1018 3.189 18.356 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.959 18.237 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A1018 1.717 18.036 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.223 16.360 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.136 15.962 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A1018 1.191 17.646 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.604 16.370 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -1.086 17.162 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.460 18.800 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 0.120 19.200 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -0.144 18.364 -3.091 1.00 0.00 H new ATOM 1705 N LYS A1019 5.785 16.238 -2.612 1.00 0.00 N ATOM 1706 CA LYS A1019 6.336 15.560 -3.768 1.00 0.00 C ATOM 1707 C LYS A1019 7.061 14.308 -3.292 1.00 0.00 C ATOM 1708 O LYS A1019 7.017 13.259 -3.919 1.00 0.00 O ATOM 1709 CB LYS A1019 7.205 16.538 -4.592 1.00 0.00 C ATOM 1710 CG LYS A1019 8.665 16.171 -4.762 1.00 0.00 C ATOM 1711 CD LYS A1019 9.441 16.482 -3.505 1.00 0.00 C ATOM 1712 CE LYS A1019 10.939 16.512 -3.757 1.00 0.00 C ATOM 1713 NZ LYS A1019 11.422 15.287 -4.444 1.00 0.00 N ATOM 0 H LYS A1019 6.253 17.110 -2.363 1.00 0.00 H new ATOM 0 HA LYS A1019 5.555 15.230 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.761 16.636 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.153 17.519 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A1019 8.754 15.110 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A1019 9.088 16.721 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A1019 9.120 17.446 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A1019 9.216 15.734 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A1019 11.186 17.385 -4.361 1.00 0.00 H new ATOM 0 HE3 LYS A1019 11.462 16.623 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 12.462 15.267 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 11.052 14.446 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 11.091 15.289 -5.430 1.00 0.00 H new ATOM 1727 N GLN A1020 7.663 14.445 -2.133 1.00 0.00 N ATOM 1728 CA GLN A1020 8.187 13.340 -1.355 1.00 0.00 C ATOM 1729 C GLN A1020 7.045 12.499 -0.783 1.00 0.00 C ATOM 1730 O GLN A1020 7.195 11.288 -0.625 1.00 0.00 O ATOM 1731 CB GLN A1020 9.048 13.927 -0.239 1.00 0.00 C ATOM 1732 CG GLN A1020 9.797 12.909 0.596 1.00 0.00 C ATOM 1733 CD GLN A1020 10.905 13.538 1.427 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.905 12.889 1.729 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.744 14.802 1.807 1.00 0.00 N ATOM 0 H GLN A1020 7.807 15.353 -1.691 1.00 0.00 H new ATOM 0 HA GLN A1020 8.788 12.681 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.770 14.614 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.410 14.516 0.420 1.00 0.00 H new ATOM 0 HG2 GLN A1020 9.096 12.400 1.257 1.00 0.00 H new ATOM 0 HG3 GLN A1020 10.225 12.151 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.902 15.312 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A1020 11.462 15.262 2.366 1.00 0.00 H new ATOM 1744 N MET A1021 5.904 13.116 -0.507 1.00 0.00 N ATOM 1745 CA MET A1021 4.772 12.386 0.048 1.00 0.00 C ATOM 1746 C MET A1021 4.191 11.436 -0.967 1.00 0.00 C ATOM 1747 O MET A1021 4.096 10.241 -0.713 1.00 0.00 O ATOM 1748 CB MET A1021 3.664 13.333 0.512 1.00 0.00 C ATOM 1749 CG MET A1021 2.500 12.633 1.198 1.00 0.00 C ATOM 1750 SD MET A1021 1.351 11.828 0.057 1.00 0.00 S ATOM 1751 CE MET A1021 0.790 13.220 -0.919 1.00 0.00 C ATOM 0 H MET A1021 5.738 14.111 -0.657 1.00 0.00 H new ATOM 0 HA MET A1021 5.151 11.828 0.904 1.00 0.00 H new ATOM 0 HB2 MET A1021 4.090 14.066 1.198 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.287 13.884 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.894 11.887 1.888 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.952 13.362 1.795 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.023 12.888 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.375 13.983 -0.260 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.630 13.638 -1.474 1.00 0.00 H new ATOM 1761 N LEU A1022 3.843 11.947 -2.136 1.00 0.00 N ATOM 1762 CA LEU A1022 3.132 11.126 -3.087 1.00 0.00 C ATOM 1763 C LEU A1022 4.126 10.287 -3.875 1.00 0.00 C ATOM 1764 O LEU A1022 3.742 9.490 -4.715 1.00 0.00 O ATOM 1765 CB LEU A1022 2.232 11.974 -4.002 1.00 0.00 C ATOM 1766 CG LEU A1022 2.737 12.170 -5.426 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.592 12.633 -6.310 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.880 13.180 -5.469 1.00 0.00 C ATOM 0 H LEU A1022 4.037 12.901 -2.440 1.00 0.00 H new ATOM 0 HA LEU A1022 2.466 10.452 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.248 11.508 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.100 12.954 -3.544 1.00 0.00 H new ATOM 0 HG LEU A1022 3.119 11.218 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A1022 1.953 12.773 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.802 11.882 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.198 13.576 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.221 13.300 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.532 14.140 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.705 12.822 -4.853 1.00 0.00 H new ATOM 1780 N THR A1023 5.413 10.490 -3.604 1.00 0.00 N ATOM 1781 CA THR A1023 6.439 9.596 -4.108 1.00 0.00 C ATOM 1782 C THR A1023 6.609 8.421 -3.146 1.00 0.00 C ATOM 1783 O THR A1023 6.867 7.306 -3.569 1.00 0.00 O ATOM 1784 CB THR A1023 7.791 10.313 -4.320 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.668 11.276 -5.372 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.897 9.330 -4.669 1.00 0.00 C ATOM 0 H THR A1023 5.764 11.264 -3.040 1.00 0.00 H new ATOM 0 HA THR A1023 6.114 9.234 -5.084 1.00 0.00 H new ATOM 0 HB THR A1023 8.055 10.808 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.146 12.042 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.833 9.871 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.013 8.610 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.639 8.804 -5.588 1.00 0.00 H new ATOM 1794 N ALA A1024 6.439 8.676 -1.848 1.00 0.00 N ATOM 1795 CA ALA A1024 6.428 7.609 -0.857 1.00 0.00 C ATOM 1796 C ALA A1024 5.069 6.929 -0.871 1.00 0.00 C ATOM 1797 O ALA A1024 4.916 5.802 -0.427 1.00 0.00 O ATOM 1798 CB ALA A1024 6.752 8.148 0.529 1.00 0.00 C ATOM 0 H ALA A1024 6.308 9.611 -1.463 1.00 0.00 H new ATOM 0 HA ALA A1024 7.197 6.879 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.737 7.331 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.741 8.605 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A1024 6.010 8.895 0.812 1.00 0.00 H new ATOM 1804 N ALA A1025 4.083 7.657 -1.357 1.00 0.00 N ATOM 1805 CA ALA A1025 2.775 7.105 -1.652 1.00 0.00 C ATOM 1806 C ALA A1025 2.765 6.507 -3.058 1.00 0.00 C ATOM 1807 O ALA A1025 1.982 5.608 -3.338 1.00 0.00 O ATOM 1808 CB ALA A1025 1.683 8.136 -1.453 1.00 0.00 C ATOM 0 H ALA A1025 4.167 8.653 -1.559 1.00 0.00 H new ATOM 0 HA ALA A1025 2.565 6.300 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.715 7.690 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.689 8.477 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.858 8.984 -2.115 1.00 0.00 H new ATOM 1814 N HIS A1026 3.614 7.001 -3.951 1.00 0.00 N ATOM 1815 CA HIS A1026 3.884 6.278 -5.194 1.00 0.00 C ATOM 1816 C HIS A1026 4.699 5.034 -4.866 1.00 0.00 C ATOM 1817 O HIS A1026 4.586 4.026 -5.534 1.00 0.00 O ATOM 1818 CB HIS A1026 4.607 7.157 -6.225 1.00 0.00 C ATOM 1819 CG HIS A1026 4.712 6.549 -7.593 1.00 0.00 C ATOM 1820 ND1 HIS A1026 3.935 6.957 -8.655 1.00 0.00 N ATOM 1821 CD2 HIS A1026 5.516 5.574 -8.072 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.252 6.254 -9.726 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.210 5.410 -9.398 1.00 0.00 N ATOM 0 H HIS A1026 4.120 7.881 -3.845 1.00 0.00 H new ATOM 0 HA HIS A1026 2.936 5.990 -5.648 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.083 8.110 -6.303 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.611 7.374 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A1026 6.261 5.026 -7.514 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.803 6.353 -10.703 1.00 0.00 H new ATOM 0 HE2 HIS A1026 5.652 4.742 -10.029 1.00 0.00 H new ATOM 1832 N ALA A1027 5.505 5.129 -3.826 1.00 0.00 N ATOM 1833 CA ALA A1027 6.108 3.975 -3.147 1.00 0.00 C ATOM 1834 C ALA A1027 5.042 3.119 -2.494 1.00 0.00 C ATOM 1835 O ALA A1027 5.105 1.901 -2.585 1.00 0.00 O ATOM 1836 CB ALA A1027 7.094 4.452 -2.093 1.00 0.00 C ATOM 0 H ALA A1027 5.770 6.023 -3.414 1.00 0.00 H new ATOM 0 HA ALA A1027 6.631 3.374 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.537 3.591 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.879 5.040 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.573 5.068 -1.360 1.00 0.00 H new ATOM 1842 N LEU A1028 4.067 3.724 -1.853 1.00 0.00 N ATOM 1843 CA LEU A1028 2.931 2.958 -1.373 1.00 0.00 C ATOM 1844 C LEU A1028 2.265 2.249 -2.545 1.00 0.00 C ATOM 1845 O LEU A1028 1.975 1.066 -2.464 1.00 0.00 O ATOM 1846 CB LEU A1028 1.928 3.844 -0.635 1.00 0.00 C ATOM 1847 CG LEU A1028 2.379 4.330 0.737 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.246 5.071 1.421 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.836 3.150 1.578 1.00 0.00 C ATOM 0 H LEU A1028 4.033 4.724 -1.653 1.00 0.00 H new ATOM 0 HA LEU A1028 3.290 2.216 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.708 4.712 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A1028 0.996 3.291 -0.519 1.00 0.00 H new ATOM 0 HG LEU A1028 3.218 5.016 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.576 5.415 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.954 5.928 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.393 4.403 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.157 3.504 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.011 2.448 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.668 2.650 1.082 1.00 0.00 H new ATOM 1861 N ALA A1029 2.042 2.974 -3.629 1.00 0.00 N ATOM 1862 CA ALA A1029 1.540 2.382 -4.860 1.00 0.00 C ATOM 1863 C ALA A1029 2.474 1.295 -5.391 1.00 0.00 C ATOM 1864 O ALA A1029 2.018 0.230 -5.801 1.00 0.00 O ATOM 1865 CB ALA A1029 1.344 3.461 -5.916 1.00 0.00 C ATOM 0 H ALA A1029 2.202 3.980 -3.682 1.00 0.00 H new ATOM 0 HA ALA A1029 0.582 1.914 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A1029 0.968 3.008 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.627 4.198 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.297 3.951 -6.117 1.00 0.00 H new ATOM 1871 N VAL A1030 3.780 1.563 -5.369 1.00 0.00 N ATOM 1872 CA VAL A1030 4.762 0.637 -5.916 1.00 0.00 C ATOM 1873 C VAL A1030 4.837 -0.629 -5.079 1.00 0.00 C ATOM 1874 O VAL A1030 4.756 -1.743 -5.587 1.00 0.00 O ATOM 1875 CB VAL A1030 6.170 1.284 -5.972 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.258 0.224 -6.085 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.267 2.236 -7.152 1.00 0.00 C ATOM 0 H VAL A1030 4.179 2.416 -4.977 1.00 0.00 H new ATOM 0 HA VAL A1030 4.440 0.387 -6.927 1.00 0.00 H new ATOM 0 HB VAL A1030 6.318 1.838 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.234 0.707 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.213 -0.437 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.106 -0.358 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.261 2.683 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.091 1.688 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.519 3.022 -7.048 1.00 0.00 H new ATOM 1887 N ASP A1031 5.000 -0.434 -3.784 1.00 0.00 N ATOM 1888 CA ASP A1031 5.194 -1.532 -2.865 1.00 0.00 C ATOM 1889 C ASP A1031 3.896 -2.262 -2.562 1.00 0.00 C ATOM 1890 O ASP A1031 3.923 -3.442 -2.280 1.00 0.00 O ATOM 1891 CB ASP A1031 5.903 -1.070 -1.595 1.00 0.00 C ATOM 1892 CG ASP A1031 7.395 -0.887 -1.831 1.00 0.00 C ATOM 1893 OD1 ASP A1031 8.073 -1.882 -2.182 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.896 0.245 -1.684 1.00 0.00 O ATOM 0 H ASP A1031 5.001 0.486 -3.344 1.00 0.00 H new ATOM 0 HA ASP A1031 5.845 -2.255 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.468 -0.130 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.745 -1.800 -0.801 1.00 0.00 H new ATOM 1899 N ALA A1032 2.762 -1.571 -2.610 1.00 0.00 N ATOM 1900 CA ALA A1032 1.469 -2.255 -2.513 1.00 0.00 C ATOM 1901 C ALA A1032 1.204 -3.039 -3.793 1.00 0.00 C ATOM 1902 O ALA A1032 0.529 -4.066 -3.767 1.00 0.00 O ATOM 1903 CB ALA A1032 0.329 -1.294 -2.214 1.00 0.00 C ATOM 0 H ALA A1032 2.706 -0.558 -2.713 1.00 0.00 H new ATOM 0 HA ALA A1032 1.518 -2.947 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.607 -1.848 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.517 -0.791 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.260 -0.553 -3.010 1.00 0.00 H new ATOM 1909 N LYS A1033 1.770 -2.576 -4.894 1.00 0.00 N ATOM 1910 CA LYS A1033 1.810 -3.353 -6.125 1.00 0.00 C ATOM 1911 C LYS A1033 2.679 -4.592 -5.910 1.00 0.00 C ATOM 1912 O LYS A1033 2.318 -5.713 -6.265 1.00 0.00 O ATOM 1913 CB LYS A1033 2.421 -2.493 -7.232 1.00 0.00 C ATOM 1914 CG LYS A1033 2.370 -3.115 -8.614 1.00 0.00 C ATOM 1915 CD LYS A1033 3.125 -2.256 -9.612 1.00 0.00 C ATOM 1916 CE LYS A1033 3.069 -2.832 -11.013 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.914 -2.055 -11.955 1.00 0.00 N ATOM 0 H LYS A1033 2.212 -1.659 -4.962 1.00 0.00 H new ATOM 0 HA LYS A1033 0.802 -3.659 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.901 -1.535 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.461 -2.284 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.803 -4.115 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.333 -3.225 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.704 -1.250 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A1033 4.165 -2.165 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.402 -3.870 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A1033 2.038 -2.835 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.853 -2.476 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 3.580 -1.071 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 4.902 -2.073 -11.631 1.00 0.00 H new ATOM 1931 N ASN A1034 3.833 -4.343 -5.295 1.00 0.00 N ATOM 1932 CA ASN A1034 4.865 -5.351 -5.054 1.00 0.00 C ATOM 1933 C ASN A1034 4.455 -6.368 -3.992 1.00 0.00 C ATOM 1934 O ASN A1034 4.631 -7.561 -4.181 1.00 0.00 O ATOM 1935 CB ASN A1034 6.155 -4.657 -4.613 1.00 0.00 C ATOM 1936 CG ASN A1034 7.323 -5.610 -4.448 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.420 -6.623 -5.140 1.00 0.00 O ATOM 1938 ND2 ASN A1034 8.223 -5.283 -3.532 1.00 0.00 N ATOM 0 H ASN A1034 4.082 -3.419 -4.943 1.00 0.00 H new ATOM 0 HA ASN A1034 5.014 -5.894 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.418 -3.895 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.978 -4.143 -3.668 1.00 0.00 H new ATOM 0 HD21 ASN A1034 9.035 -5.881 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A1034 8.104 -4.434 -2.980 1.00 0.00 H new ATOM 1945 N LEU A1035 3.926 -5.903 -2.872 1.00 0.00 N ATOM 1946 CA LEU A1035 3.564 -6.795 -1.782 1.00 0.00 C ATOM 1947 C LEU A1035 2.454 -7.751 -2.215 1.00 0.00 C ATOM 1948 O LEU A1035 2.462 -8.908 -1.806 1.00 0.00 O ATOM 1949 CB LEU A1035 3.192 -6.020 -0.515 1.00 0.00 C ATOM 1950 CG LEU A1035 1.942 -5.146 -0.601 1.00 0.00 C ATOM 1951 CD1 LEU A1035 0.699 -5.920 -0.186 1.00 0.00 C ATOM 1952 CD2 LEU A1035 2.116 -3.914 0.260 1.00 0.00 C ATOM 0 H LEU A1035 3.738 -4.916 -2.694 1.00 0.00 H new ATOM 0 HA LEU A1035 4.439 -7.395 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.055 -6.735 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A1035 4.035 -5.386 -0.241 1.00 0.00 H new ATOM 0 HG LEU A1035 1.807 -4.838 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -0.174 -5.272 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A1035 0.568 -6.779 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.811 -6.265 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.221 -3.295 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.275 -4.214 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A1035 2.977 -3.345 -0.089 1.00 0.00 H new ATOM 1964 N LEU A1036 1.497 -7.308 -3.039 1.00 0.00 N ATOM 1965 CA LEU A1036 0.480 -8.266 -3.459 1.00 0.00 C ATOM 1966 C LEU A1036 1.088 -9.265 -4.456 1.00 0.00 C ATOM 1967 O LEU A1036 0.740 -10.436 -4.477 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.798 -7.584 -3.984 1.00 0.00 C ATOM 1969 CG LEU A1036 -0.656 -6.686 -5.222 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -0.664 -7.508 -6.503 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -1.774 -5.655 -5.255 1.00 0.00 C ATOM 0 H LEU A1036 1.408 -6.360 -3.405 1.00 0.00 H new ATOM 0 HA LEU A1036 0.152 -8.826 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.527 -8.362 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.216 -6.983 -3.177 1.00 0.00 H new ATOM 0 HG LEU A1036 0.303 -6.171 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -0.562 -6.844 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A1036 0.167 -8.213 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -1.603 -8.056 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.662 -5.025 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -2.737 -6.164 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.725 -5.037 -4.359 1.00 0.00 H new ATOM 1983 N ASP A1037 1.996 -8.742 -5.284 1.00 0.00 N ATOM 1984 CA ASP A1037 2.883 -9.522 -6.157 1.00 0.00 C ATOM 1985 C ASP A1037 3.674 -10.548 -5.342 1.00 0.00 C ATOM 1986 O ASP A1037 4.036 -11.624 -5.797 1.00 0.00 O ATOM 1987 CB ASP A1037 3.847 -8.538 -6.829 1.00 0.00 C ATOM 1988 CG ASP A1037 4.788 -9.173 -7.830 1.00 0.00 C ATOM 1989 OD1 ASP A1037 4.419 -9.270 -9.022 1.00 0.00 O ATOM 1990 OD2 ASP A1037 5.918 -9.534 -7.444 1.00 0.00 O ATOM 0 H ASP A1037 2.140 -7.736 -5.369 1.00 0.00 H new ATOM 0 HA ASP A1037 2.298 -10.064 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A1037 3.266 -7.766 -7.333 1.00 0.00 H new ATOM 0 HB3 ASP A1037 4.436 -8.041 -6.058 1.00 0.00 H new ATOM 1995 N VAL A1038 3.937 -10.177 -4.119 1.00 0.00 N ATOM 1996 CA VAL A1038 4.630 -11.029 -3.169 1.00 0.00 C ATOM 1997 C VAL A1038 3.717 -12.142 -2.687 1.00 0.00 C ATOM 1998 O VAL A1038 4.167 -13.264 -2.494 1.00 0.00 O ATOM 1999 CB VAL A1038 5.181 -10.198 -1.989 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.503 -11.067 -0.781 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.420 -9.427 -2.416 1.00 0.00 C ATOM 0 H VAL A1038 3.677 -9.266 -3.742 1.00 0.00 H new ATOM 0 HA VAL A1038 5.480 -11.490 -3.672 1.00 0.00 H new ATOM 0 HB VAL A1038 4.400 -9.496 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.887 -10.442 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.598 -11.575 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.254 -11.808 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.796 -8.847 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A1038 7.188 -10.126 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A1038 6.166 -8.754 -3.235 1.00 0.00 H new ATOM 2011 N ILE A1039 2.444 -11.842 -2.510 1.00 0.00 N ATOM 2012 CA ILE A1039 1.464 -12.873 -2.199 1.00 0.00 C ATOM 2013 C ILE A1039 1.043 -13.640 -3.446 1.00 0.00 C ATOM 2014 O ILE A1039 0.677 -14.810 -3.351 1.00 0.00 O ATOM 2015 CB ILE A1039 0.248 -12.306 -1.427 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.632 -12.103 0.036 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.971 -13.216 -1.530 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.573 -10.949 0.278 1.00 0.00 C ATOM 0 H ILE A1039 2.063 -10.898 -2.575 1.00 0.00 H new ATOM 0 HA ILE A1039 1.950 -13.586 -1.533 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.025 -11.352 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.275 -11.945 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.094 -13.017 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.800 -12.778 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.255 -13.327 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.731 -14.194 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.794 -10.877 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.499 -11.112 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.108 -10.023 -0.060 1.00 0.00 H new ATOM 2030 N ASP A1040 1.140 -13.020 -4.609 1.00 0.00 N ATOM 2031 CA ASP A1040 0.933 -13.747 -5.854 1.00 0.00 C ATOM 2032 C ASP A1040 1.945 -14.860 -5.948 1.00 0.00 C ATOM 2033 O ASP A1040 1.609 -16.012 -6.240 1.00 0.00 O ATOM 2034 CB ASP A1040 0.939 -12.798 -7.079 1.00 0.00 C ATOM 2035 CG ASP A1040 2.268 -12.456 -7.750 1.00 0.00 C ATOM 2036 OD1 ASP A1040 3.176 -13.291 -7.835 1.00 0.00 O ATOM 2037 OD2 ASP A1040 2.365 -11.328 -8.271 1.00 0.00 O ATOM 0 H ASP A1040 1.357 -12.030 -4.720 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.059 -14.200 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.292 -13.238 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A1040 0.477 -11.861 -6.770 1.00 0.00 H new ATOM 2042 N GLN A1041 3.165 -14.531 -5.629 1.00 0.00 N ATOM 2043 CA GLN A1041 4.198 -15.522 -5.572 1.00 0.00 C ATOM 2044 C GLN A1041 4.079 -16.350 -4.304 1.00 0.00 C ATOM 2045 O GLN A1041 4.439 -17.511 -4.298 1.00 0.00 O ATOM 2046 CB GLN A1041 5.569 -14.880 -5.655 1.00 0.00 C ATOM 2047 CG GLN A1041 5.995 -14.582 -7.073 1.00 0.00 C ATOM 2048 CD GLN A1041 6.916 -13.398 -7.147 1.00 0.00 C ATOM 2049 OE1 GLN A1041 8.142 -13.531 -7.105 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.320 -12.227 -7.217 1.00 0.00 N ATOM 0 H GLN A1041 3.467 -13.583 -5.405 1.00 0.00 H new ATOM 0 HA GLN A1041 4.076 -16.183 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A1041 5.566 -13.954 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A1041 6.302 -15.540 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A1041 6.493 -15.456 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A1041 5.113 -14.394 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.302 -12.174 -7.249 1.00 0.00 H new ATOM 0 HE22 GLN A1041 6.876 -11.372 -7.239 1.00 0.00 H new ATOM 2059 N ALA A1042 3.584 -15.736 -3.230 1.00 0.00 N ATOM 2060 CA ALA A1042 3.432 -16.412 -1.947 1.00 0.00 C ATOM 2061 C ALA A1042 2.591 -17.657 -2.066 1.00 0.00 C ATOM 2062 O ALA A1042 3.031 -18.754 -1.722 1.00 0.00 O ATOM 2063 CB ALA A1042 2.770 -15.487 -0.953 1.00 0.00 C ATOM 0 H ALA A1042 3.280 -14.763 -3.226 1.00 0.00 H new ATOM 0 HA ALA A1042 4.430 -16.692 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A1042 2.660 -15.999 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.385 -14.597 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.787 -15.197 -1.325 1.00 0.00 H new ATOM 2069 N ARG A1043 1.387 -17.476 -2.582 1.00 0.00 N ATOM 2070 CA ARG A1043 0.431 -18.555 -2.684 1.00 0.00 C ATOM 2071 C ARG A1043 0.946 -19.599 -3.658 1.00 0.00 C ATOM 2072 O ARG A1043 0.752 -20.794 -3.461 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.935 -17.991 -3.100 1.00 0.00 C ATOM 2074 CG ARG A1043 -0.861 -17.086 -4.316 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.077 -16.175 -4.442 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.338 -16.900 -4.611 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.522 -16.295 -4.786 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -4.589 -14.967 -4.839 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -5.629 -17.013 -4.917 1.00 0.00 N ATOM 0 H ARG A1043 1.050 -16.582 -2.939 1.00 0.00 H new ATOM 0 HA ARG A1043 0.304 -19.044 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.614 -18.818 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.361 -17.434 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A1043 0.041 -16.476 -4.257 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.774 -17.697 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.144 -15.548 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -1.934 -15.508 -5.292 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.315 -17.920 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -3.740 -14.409 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.489 -14.507 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.583 -18.031 -4.885 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -6.526 -16.547 -5.050 1.00 0.00 H new ATOM 2093 N LEU A1044 1.642 -19.143 -4.689 1.00 0.00 N ATOM 2094 CA LEU A1044 2.333 -20.050 -5.584 1.00 0.00 C ATOM 2095 C LEU A1044 3.416 -20.796 -4.824 1.00 0.00 C ATOM 2096 O LEU A1044 3.453 -22.011 -4.829 1.00 0.00 O ATOM 2097 CB LEU A1044 2.960 -19.286 -6.755 1.00 0.00 C ATOM 2098 CG LEU A1044 3.850 -20.123 -7.684 1.00 0.00 C ATOM 2099 CD1 LEU A1044 3.026 -21.152 -8.446 1.00 0.00 C ATOM 2100 CD2 LEU A1044 4.605 -19.225 -8.650 1.00 0.00 C ATOM 0 H LEU A1044 1.741 -18.155 -4.923 1.00 0.00 H new ATOM 0 HA LEU A1044 1.608 -20.761 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.160 -18.843 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.553 -18.464 -6.355 1.00 0.00 H new ATOM 0 HG LEU A1044 4.574 -20.657 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.680 -21.732 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A1044 2.533 -21.819 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A1044 2.274 -20.642 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A1044 5.231 -19.836 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A1044 3.894 -18.662 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A1044 5.232 -18.533 -8.089 1.00 0.00 H new