USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 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: A1001 LYS NZ :NH3+ -177:sc= 0.247 (180deg=0.199) USER MOD Set 1.2: A1020 GLN : amide:sc= -2.22 X(o=-2,f=-2.4) USER MOD Set 2.1: A 940 SER OG : rot 80:sc= 1.03 USER MOD Set 2.2: A1021 MET CE :methyl -150:sc= -1.72 (180deg=-4.28!) USER MOD Single : A 924 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.21) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -3.31! C(o=-3.3!,f=-7.2!) USER MOD Single : A 930 THR OG1 : rot 180:sc= 0 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 168:sc= -1.5 (180deg=-2.38) USER MOD Single : A 951 TYR OH : rot 10:sc= -3.69! USER MOD Single : A 954 MET CE :methyl 180:sc= -0.014 (180deg=-0.014) USER MOD Single : A 956 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.03) USER MOD Single : A 964 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 968 THR OG1 : rot -87:sc= 0.343 USER MOD Single : A 972 SER OG : rot 74:sc= 0.299 USER MOD Single : A 980 THR OG1 : rot 21:sc= -0.199 USER MOD Single : A 981 HIS : no HD1:sc= -0.069 X(o=-0.069,f=-0.078) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -10.1! C(o=-10!,f=-5.2!) USER MOD Single : A 989 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 1.18 K(o=1.2,f=-0.086) USER MOD Single : A1002 MET CE :methyl 151:sc= -2.63 (180deg=-5.49!) USER MOD Single : A1003 LYS NZ :NH3+ -160:sc= -0.132 (180deg=-0.624) USER MOD Single : A1006 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1) USER MOD Single : A1007 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.39) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot -26:sc= 0.723 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -1.98 K(o=-2,f=-0.25) USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 151:sc= -1.25 (180deg=-1.52) USER MOD Single : A1019 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0195) USER MOD Single : A1023 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A1041 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.008) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -9.504 -8.199 -3.488 1.00 0.00 N ATOM 180 CA LYS A 924 -9.757 -7.017 -2.677 1.00 0.00 C ATOM 181 C LYS A 924 -8.480 -6.244 -2.372 1.00 0.00 C ATOM 182 O LYS A 924 -8.533 -5.048 -2.099 1.00 0.00 O ATOM 183 CB LYS A 924 -10.444 -7.384 -1.370 1.00 0.00 C ATOM 184 CG LYS A 924 -11.804 -8.036 -1.540 1.00 0.00 C ATOM 185 CD LYS A 924 -12.599 -7.361 -2.646 1.00 0.00 C ATOM 186 CE LYS A 924 -14.095 -7.406 -2.387 1.00 0.00 C ATOM 187 NZ LYS A 924 -14.511 -6.375 -1.401 1.00 0.00 N ATOM 0 HA LYS A 924 -10.414 -6.377 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.797 -8.060 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.559 -6.483 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.678 -9.093 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -12.358 -7.979 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.279 -6.323 -2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -12.382 -7.848 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.632 -7.252 -3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -14.372 -8.394 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -15.521 -6.161 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.350 -6.731 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.953 -5.510 -1.547 1.00 0.00 H new ATOM 201 N VAL A 925 -7.335 -6.902 -2.424 1.00 0.00 N ATOM 202 CA VAL A 925 -6.073 -6.208 -2.212 1.00 0.00 C ATOM 203 C VAL A 925 -5.877 -5.144 -3.302 1.00 0.00 C ATOM 204 O VAL A 925 -5.314 -4.085 -3.056 1.00 0.00 O ATOM 205 CB VAL A 925 -4.867 -7.179 -2.159 1.00 0.00 C ATOM 206 CG1 VAL A 925 -5.023 -8.166 -1.014 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.701 -7.925 -3.471 1.00 0.00 C ATOM 0 H VAL A 925 -7.251 -7.902 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.119 -5.721 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.971 -6.582 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -4.166 -8.839 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -5.080 -7.623 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.936 -8.745 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.846 -8.598 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.602 -8.503 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.535 -7.211 -4.277 1.00 0.00 H new ATOM 217 N TYR A 926 -6.426 -5.401 -4.475 1.00 0.00 N ATOM 218 CA TYR A 926 -6.384 -4.446 -5.582 1.00 0.00 C ATOM 219 C TYR A 926 -7.395 -3.317 -5.391 1.00 0.00 C ATOM 220 O TYR A 926 -7.118 -2.200 -5.806 1.00 0.00 O ATOM 221 CB TYR A 926 -6.611 -5.141 -6.935 1.00 0.00 C ATOM 222 CG TYR A 926 -7.897 -4.735 -7.625 1.00 0.00 C ATOM 223 CD1 TYR A 926 -9.104 -5.322 -7.278 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.905 -3.749 -8.599 1.00 0.00 C ATOM 225 CE1 TYR A 926 -10.282 -4.946 -7.872 1.00 0.00 C ATOM 226 CE2 TYR A 926 -9.081 -3.363 -9.208 1.00 0.00 C ATOM 227 CZ TYR A 926 -10.271 -3.963 -8.841 1.00 0.00 C ATOM 228 OH TYR A 926 -11.448 -3.581 -9.443 1.00 0.00 O ATOM 0 H TYR A 926 -6.912 -6.271 -4.693 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.385 -4.010 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.771 -4.918 -7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -6.617 -6.220 -6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -9.117 -6.093 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.977 -3.276 -8.885 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -11.211 -5.415 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -9.072 -2.596 -9.968 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.266 -2.878 -10.101 1.00 0.00 H new ATOM 238 N GLU A 927 -8.546 -3.559 -4.780 1.00 0.00 N ATOM 239 CA GLU A 927 -9.475 -2.444 -4.543 1.00 0.00 C ATOM 240 C GLU A 927 -9.001 -1.564 -3.389 1.00 0.00 C ATOM 241 O GLU A 927 -9.338 -0.388 -3.350 1.00 0.00 O ATOM 242 CB GLU A 927 -10.918 -2.861 -4.314 1.00 0.00 C ATOM 243 CG GLU A 927 -11.105 -3.515 -2.977 1.00 0.00 C ATOM 244 CD GLU A 927 -12.525 -3.441 -2.448 1.00 0.00 C ATOM 245 OE1 GLU A 927 -12.850 -2.457 -1.748 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.313 -4.368 -2.707 1.00 0.00 O ATOM 0 H GLU A 927 -8.858 -4.472 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.466 -1.875 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -11.564 -1.986 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -11.227 -3.549 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.810 -4.562 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.435 -3.045 -2.257 1.00 0.00 H new ATOM 253 N ASN A 928 -8.226 -2.085 -2.453 1.00 0.00 N ATOM 254 CA ASN A 928 -7.641 -1.226 -1.430 1.00 0.00 C ATOM 255 C ASN A 928 -6.480 -0.428 -2.002 1.00 0.00 C ATOM 256 O ASN A 928 -6.168 0.651 -1.525 1.00 0.00 O ATOM 257 CB ASN A 928 -7.277 -2.014 -0.185 1.00 0.00 C ATOM 258 CG ASN A 928 -8.540 -2.536 0.451 1.00 0.00 C ATOM 259 OD1 ASN A 928 -9.273 -1.775 1.065 1.00 0.00 O ATOM 260 ND2 ASN A 928 -8.824 -3.816 0.287 1.00 0.00 N ATOM 0 H ASN A 928 -7.989 -3.074 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.389 -0.501 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.615 -2.841 -0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -6.736 -1.380 0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.682 -4.202 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -8.185 -4.418 -0.233 1.00 0.00 H new ATOM 267 N VAL A 929 -5.851 -0.982 -3.029 1.00 0.00 N ATOM 268 CA VAL A 929 -4.899 -0.247 -3.873 1.00 0.00 C ATOM 269 C VAL A 929 -5.677 0.683 -4.795 1.00 0.00 C ATOM 270 O VAL A 929 -5.198 1.764 -5.136 1.00 0.00 O ATOM 271 CB VAL A 929 -4.013 -1.188 -4.722 1.00 0.00 C ATOM 272 CG1 VAL A 929 -3.101 -0.397 -5.642 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.196 -2.107 -3.834 1.00 0.00 C ATOM 0 H VAL A 929 -5.982 -1.955 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.236 0.317 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.673 -1.799 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.490 -1.084 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.703 0.214 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.454 0.248 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.581 -2.759 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.554 -1.510 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.866 -2.712 -3.223 1.00 0.00 H new ATOM 283 N THR A 930 -6.874 0.308 -5.157 1.00 0.00 N ATOM 284 CA THR A 930 -7.761 1.212 -5.845 1.00 0.00 C ATOM 285 C THR A 930 -8.088 2.400 -4.928 1.00 0.00 C ATOM 286 O THR A 930 -8.064 3.547 -5.354 1.00 0.00 O ATOM 287 CB THR A 930 -9.027 0.445 -6.305 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.868 0.022 -7.666 1.00 0.00 O ATOM 289 CG2 THR A 930 -10.308 1.251 -6.152 1.00 0.00 C ATOM 0 H THR A 930 -7.260 -0.621 -4.987 1.00 0.00 H new ATOM 0 HA THR A 930 -7.284 1.613 -6.740 1.00 0.00 H new ATOM 0 HB THR A 930 -9.128 -0.421 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 930 -9.669 -0.464 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 930 -11.155 0.656 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 930 -10.448 1.516 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 930 -10.240 2.160 -6.750 1.00 0.00 H new ATOM 297 N GLY A 931 -8.346 2.105 -3.662 1.00 0.00 N ATOM 298 CA GLY A 931 -8.594 3.157 -2.692 1.00 0.00 C ATOM 299 C GLY A 931 -7.342 3.939 -2.306 1.00 0.00 C ATOM 300 O GLY A 931 -7.318 5.165 -2.421 1.00 0.00 O ATOM 0 H GLY A 931 -8.388 1.157 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.333 3.848 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -9.029 2.717 -1.794 1.00 0.00 H new ATOM 304 N LEU A 932 -6.294 3.238 -1.868 1.00 0.00 N ATOM 305 CA LEU A 932 -5.069 3.905 -1.402 1.00 0.00 C ATOM 306 C LEU A 932 -4.383 4.723 -2.502 1.00 0.00 C ATOM 307 O LEU A 932 -4.042 5.883 -2.287 1.00 0.00 O ATOM 308 CB LEU A 932 -4.088 2.892 -0.767 1.00 0.00 C ATOM 309 CG LEU A 932 -3.225 2.035 -1.703 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.888 2.713 -1.981 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.997 0.662 -1.094 1.00 0.00 C ATOM 0 H LEU A 932 -6.265 2.219 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.376 4.614 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.418 3.445 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.668 2.217 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.755 1.922 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.294 2.087 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.062 3.680 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.351 2.857 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.384 0.063 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.487 0.769 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.956 0.168 -0.941 1.00 0.00 H new ATOM 323 N VAL A 933 -4.195 4.128 -3.681 1.00 0.00 N ATOM 324 CA VAL A 933 -3.471 4.792 -4.765 1.00 0.00 C ATOM 325 C VAL A 933 -4.248 5.985 -5.283 1.00 0.00 C ATOM 326 O VAL A 933 -3.673 7.040 -5.589 1.00 0.00 O ATOM 327 CB VAL A 933 -3.179 3.831 -5.937 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.592 4.575 -7.128 1.00 0.00 C ATOM 329 CG2 VAL A 933 -2.231 2.737 -5.495 1.00 0.00 C ATOM 0 H VAL A 933 -4.532 3.193 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.522 5.127 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 933 -4.124 3.385 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -2.397 3.871 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -3.298 5.332 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.659 5.056 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -2.034 2.067 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -1.295 3.181 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.681 2.174 -4.677 1.00 0.00 H new ATOM 339 N LYS A 934 -5.555 5.814 -5.381 1.00 0.00 N ATOM 340 CA LYS A 934 -6.417 6.886 -5.844 1.00 0.00 C ATOM 341 C LYS A 934 -6.346 8.078 -4.901 1.00 0.00 C ATOM 342 O LYS A 934 -6.374 9.215 -5.347 1.00 0.00 O ATOM 343 CB LYS A 934 -7.854 6.395 -6.008 1.00 0.00 C ATOM 344 CG LYS A 934 -8.251 6.070 -7.444 1.00 0.00 C ATOM 345 CD LYS A 934 -7.375 4.983 -8.047 1.00 0.00 C ATOM 346 CE LYS A 934 -6.207 5.561 -8.829 1.00 0.00 C ATOM 347 NZ LYS A 934 -5.434 4.500 -9.524 1.00 0.00 N ATOM 0 H LYS A 934 -6.040 4.948 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 934 -6.064 7.212 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.992 5.504 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -8.531 7.156 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.293 5.751 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.180 6.972 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -6.996 4.340 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -7.977 4.356 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -6.578 6.279 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -5.550 6.106 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -4.645 4.931 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -5.059 3.829 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -6.056 3.996 -10.188 1.00 0.00 H new ATOM 361 N ALA A 935 -6.207 7.828 -3.608 1.00 0.00 N ATOM 362 CA ALA A 935 -6.061 8.919 -2.652 1.00 0.00 C ATOM 363 C ALA A 935 -4.769 9.695 -2.906 1.00 0.00 C ATOM 364 O ALA A 935 -4.766 10.923 -2.877 1.00 0.00 O ATOM 365 CB ALA A 935 -6.088 8.385 -1.228 1.00 0.00 C ATOM 0 H ALA A 935 -6.192 6.894 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.900 9.602 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.978 9.212 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.037 7.880 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.269 7.680 -1.088 1.00 0.00 H new ATOM 371 N VAL A 936 -3.689 8.958 -3.182 1.00 0.00 N ATOM 372 CA VAL A 936 -2.360 9.534 -3.434 1.00 0.00 C ATOM 373 C VAL A 936 -2.405 10.664 -4.466 1.00 0.00 C ATOM 374 O VAL A 936 -2.526 11.835 -4.118 1.00 0.00 O ATOM 375 CB VAL A 936 -1.386 8.447 -3.945 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.009 9.014 -4.153 1.00 0.00 C ATOM 377 CG2 VAL A 936 -1.357 7.261 -2.995 1.00 0.00 C ATOM 0 H VAL A 936 -3.710 7.940 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 936 -2.014 9.941 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.748 8.098 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 936 0.672 8.227 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -0.031 9.818 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.388 9.404 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.666 6.508 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -1.029 7.592 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.356 6.831 -2.919 1.00 0.00 H new ATOM 387 N ILE A 937 -2.348 10.288 -5.733 1.00 0.00 N ATOM 388 CA ILE A 937 -2.230 11.241 -6.840 1.00 0.00 C ATOM 389 C ILE A 937 -3.417 12.200 -6.926 1.00 0.00 C ATOM 390 O ILE A 937 -3.238 13.422 -7.106 1.00 0.00 O ATOM 391 CB ILE A 937 -2.079 10.486 -8.177 1.00 0.00 C ATOM 392 CG1 ILE A 937 -3.186 9.432 -8.327 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.703 9.838 -8.259 1.00 0.00 C ATOM 394 CD1 ILE A 937 -3.111 8.636 -9.611 1.00 0.00 C ATOM 0 H ILE A 937 -2.382 9.313 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.341 11.841 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 937 -2.176 11.199 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -3.135 8.745 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -4.155 9.929 -8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.606 9.308 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.066 10.608 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.583 9.134 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.927 7.914 -9.640 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.194 9.311 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -2.158 8.109 -9.657 1.00 0.00 H new ATOM 406 N GLU A 938 -4.609 11.664 -6.745 1.00 0.00 N ATOM 407 CA GLU A 938 -5.825 12.436 -6.961 1.00 0.00 C ATOM 408 C GLU A 938 -5.872 13.621 -6.011 1.00 0.00 C ATOM 409 O GLU A 938 -5.964 14.765 -6.443 1.00 0.00 O ATOM 410 CB GLU A 938 -7.059 11.549 -6.775 1.00 0.00 C ATOM 411 CG GLU A 938 -8.392 12.261 -6.942 1.00 0.00 C ATOM 412 CD GLU A 938 -8.583 12.834 -8.327 1.00 0.00 C ATOM 413 OE1 GLU A 938 -8.337 12.114 -9.318 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.001 14.004 -8.431 1.00 0.00 O ATOM 0 H GLU A 938 -4.765 10.700 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.823 12.813 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.010 10.729 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.023 11.106 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -9.201 11.562 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.463 13.064 -6.209 1.00 0.00 H new ATOM 421 N MET A 939 -5.719 13.353 -4.726 1.00 0.00 N ATOM 422 CA MET A 939 -5.810 14.403 -3.728 1.00 0.00 C ATOM 423 C MET A 939 -4.593 15.315 -3.806 1.00 0.00 C ATOM 424 O MET A 939 -4.690 16.509 -3.508 1.00 0.00 O ATOM 425 CB MET A 939 -5.961 13.809 -2.325 1.00 0.00 C ATOM 426 CG MET A 939 -7.286 13.086 -2.117 1.00 0.00 C ATOM 427 SD MET A 939 -7.516 12.498 -0.429 1.00 0.00 S ATOM 428 CE MET A 939 -7.374 14.031 0.488 1.00 0.00 C ATOM 0 H MET A 939 -5.532 12.423 -4.351 1.00 0.00 H new ATOM 0 HA MET A 939 -6.699 15.000 -3.935 1.00 0.00 H new ATOM 0 HB2 MET A 939 -5.142 13.113 -2.143 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.871 14.607 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 939 -8.104 13.759 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.342 12.239 -2.801 1.00 0.00 H new ATOM 0 HE1 MET A 939 -7.702 13.872 1.515 1.00 0.00 H new ATOM 0 HE2 MET A 939 -6.335 14.362 0.486 1.00 0.00 H new ATOM 0 HE3 MET A 939 -7.998 14.793 0.022 1.00 0.00 H new ATOM 438 N SER A 940 -3.484 14.749 -4.294 1.00 0.00 N ATOM 439 CA SER A 940 -2.184 15.420 -4.293 1.00 0.00 C ATOM 440 C SER A 940 -2.257 16.805 -4.899 1.00 0.00 C ATOM 441 O SER A 940 -1.776 17.784 -4.334 1.00 0.00 O ATOM 442 CB SER A 940 -1.166 14.615 -5.099 1.00 0.00 C ATOM 443 OG SER A 940 -0.663 13.530 -4.347 1.00 0.00 O ATOM 0 H SER A 940 -3.465 13.813 -4.700 1.00 0.00 H new ATOM 0 HA SER A 940 -1.880 15.499 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 940 -1.632 14.243 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.344 15.263 -5.402 1.00 0.00 H new ATOM 0 HG SER A 940 -1.311 12.795 -4.360 1.00 0.00 H new ATOM 600 N TYR A 951 -4.414 16.635 4.380 1.00 0.00 N ATOM 601 CA TYR A 951 -3.755 15.352 4.197 1.00 0.00 C ATOM 602 C TYR A 951 -3.699 14.547 5.496 1.00 0.00 C ATOM 603 O TYR A 951 -3.367 13.377 5.482 1.00 0.00 O ATOM 604 CB TYR A 951 -2.365 15.527 3.587 1.00 0.00 C ATOM 605 CG TYR A 951 -1.455 16.385 4.403 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.288 16.118 5.752 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.766 17.451 3.849 1.00 0.00 C ATOM 608 CE1 TYR A 951 -0.475 16.871 6.529 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.049 18.203 4.620 1.00 0.00 C ATOM 610 CZ TYR A 951 0.189 17.909 5.969 1.00 0.00 C ATOM 611 OH TYR A 951 1.010 18.659 6.750 1.00 0.00 O ATOM 0 HA TYR A 951 -4.357 14.777 3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.908 14.546 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -2.466 15.963 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -1.820 15.289 6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 951 -0.880 17.681 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -0.358 16.647 7.579 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.591 19.031 4.188 1.00 0.00 H new ATOM 0 HH TYR A 951 1.119 18.225 7.622 1.00 0.00 H new ATOM 621 N VAL A 952 -3.947 15.195 6.624 1.00 0.00 N ATOM 622 CA VAL A 952 -4.207 14.478 7.862 1.00 0.00 C ATOM 623 C VAL A 952 -5.504 13.677 7.712 1.00 0.00 C ATOM 624 O VAL A 952 -5.534 12.485 8.002 1.00 0.00 O ATOM 625 CB VAL A 952 -4.285 15.420 9.087 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.511 14.630 10.368 1.00 0.00 C ATOM 627 CG2 VAL A 952 -3.025 16.266 9.192 1.00 0.00 C ATOM 0 H VAL A 952 -3.974 16.211 6.707 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.370 13.804 8.046 1.00 0.00 H new ATOM 0 HB VAL A 952 -5.136 16.087 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.562 15.315 11.214 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.446 14.076 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.687 13.932 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -3.098 16.922 10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.158 15.615 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.915 16.868 8.290 1.00 0.00 H new ATOM 637 N PRO A 953 -6.613 14.318 7.296 1.00 0.00 N ATOM 638 CA PRO A 953 -7.777 13.593 6.778 1.00 0.00 C ATOM 639 C PRO A 953 -7.397 12.567 5.694 1.00 0.00 C ATOM 640 O PRO A 953 -7.972 11.488 5.618 1.00 0.00 O ATOM 641 CB PRO A 953 -8.621 14.724 6.199 1.00 0.00 C ATOM 642 CG PRO A 953 -8.374 15.845 7.135 1.00 0.00 C ATOM 643 CD PRO A 953 -6.905 15.763 7.444 1.00 0.00 C ATOM 0 HA PRO A 953 -8.285 12.999 7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -8.317 14.974 5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.677 14.458 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -8.631 16.803 6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.975 15.747 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -6.314 16.367 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -6.684 16.118 8.450 1.00 0.00 H new ATOM 651 N MET A 954 -6.429 12.931 4.844 1.00 0.00 N ATOM 652 CA MET A 954 -5.872 12.018 3.833 1.00 0.00 C ATOM 653 C MET A 954 -5.145 10.849 4.498 1.00 0.00 C ATOM 654 O MET A 954 -5.155 9.732 3.986 1.00 0.00 O ATOM 655 CB MET A 954 -4.951 12.784 2.870 1.00 0.00 C ATOM 656 CG MET A 954 -3.824 11.971 2.229 1.00 0.00 C ATOM 657 SD MET A 954 -4.419 10.687 1.110 1.00 0.00 S ATOM 658 CE MET A 954 -2.877 10.205 0.337 1.00 0.00 C ATOM 0 H MET A 954 -6.010 13.861 4.836 1.00 0.00 H new ATOM 0 HA MET A 954 -6.692 11.601 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.563 13.209 2.075 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.507 13.619 3.411 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.166 12.645 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.226 11.510 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 954 -3.065 9.414 -0.388 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.440 11.065 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.186 9.843 1.098 1.00 0.00 H new ATOM 668 N VAL A 955 -4.540 11.104 5.652 1.00 0.00 N ATOM 669 CA VAL A 955 -4.014 10.028 6.490 1.00 0.00 C ATOM 670 C VAL A 955 -5.119 9.017 6.758 1.00 0.00 C ATOM 671 O VAL A 955 -4.902 7.811 6.707 1.00 0.00 O ATOM 672 CB VAL A 955 -3.469 10.533 7.850 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.996 9.371 8.712 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.343 11.531 7.654 1.00 0.00 C ATOM 0 H VAL A 955 -4.401 12.041 6.029 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.183 9.578 5.946 1.00 0.00 H new ATOM 0 HB VAL A 955 -4.288 11.037 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.618 9.752 9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.829 8.694 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.201 8.834 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.981 11.867 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.528 11.057 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.710 12.387 7.088 1.00 0.00 H new ATOM 684 N LYS A 956 -6.307 9.527 7.021 1.00 0.00 N ATOM 685 CA LYS A 956 -7.479 8.691 7.215 1.00 0.00 C ATOM 686 C LYS A 956 -7.892 7.988 5.910 1.00 0.00 C ATOM 687 O LYS A 956 -8.383 6.864 5.936 1.00 0.00 O ATOM 688 CB LYS A 956 -8.612 9.555 7.793 1.00 0.00 C ATOM 689 CG LYS A 956 -10.022 9.031 7.559 1.00 0.00 C ATOM 690 CD LYS A 956 -10.640 9.662 6.322 1.00 0.00 C ATOM 691 CE LYS A 956 -12.099 9.275 6.171 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.733 9.950 5.012 1.00 0.00 N ATOM 0 H LYS A 956 -6.488 10.527 7.106 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.247 7.895 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.455 9.658 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.539 10.554 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.997 7.947 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.642 9.245 8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.555 10.747 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -10.086 9.349 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -12.177 8.195 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.639 9.533 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.649 9.502 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -12.881 10.955 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.114 9.866 4.180 1.00 0.00 H new ATOM 706 N GLU A 957 -7.658 8.644 4.773 1.00 0.00 N ATOM 707 CA GLU A 957 -8.096 8.112 3.477 1.00 0.00 C ATOM 708 C GLU A 957 -7.168 7.006 2.981 1.00 0.00 C ATOM 709 O GLU A 957 -7.618 5.925 2.599 1.00 0.00 O ATOM 710 CB GLU A 957 -8.140 9.229 2.430 1.00 0.00 C ATOM 711 CG GLU A 957 -9.322 10.169 2.575 1.00 0.00 C ATOM 712 CD GLU A 957 -10.636 9.508 2.204 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.021 9.560 1.012 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.294 8.940 3.096 1.00 0.00 O ATOM 0 H GLU A 957 -7.171 9.539 4.720 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.093 7.695 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.219 9.808 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.166 8.780 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.375 10.525 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.167 11.043 1.943 1.00 0.00 H new ATOM 721 N VAL A 958 -5.869 7.264 3.027 1.00 0.00 N ATOM 722 CA VAL A 958 -4.890 6.301 2.551 1.00 0.00 C ATOM 723 C VAL A 958 -4.560 5.303 3.644 1.00 0.00 C ATOM 724 O VAL A 958 -4.383 4.121 3.363 1.00 0.00 O ATOM 725 CB VAL A 958 -3.600 6.988 2.030 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.847 7.695 3.151 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.702 5.981 1.323 1.00 0.00 C ATOM 0 H VAL A 958 -5.470 8.130 3.388 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.334 5.772 1.708 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.900 7.748 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.950 8.164 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.487 8.458 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.565 6.969 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.803 6.483 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.423 5.190 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.236 5.548 0.477 1.00 0.00 H new ATOM 737 N GLY A 959 -4.537 5.768 4.887 1.00 0.00 N ATOM 738 CA GLY A 959 -4.250 4.894 6.005 1.00 0.00 C ATOM 739 C GLY A 959 -5.289 3.807 6.135 1.00 0.00 C ATOM 740 O GLY A 959 -4.960 2.651 6.381 1.00 0.00 O ATOM 0 H GLY A 959 -4.713 6.740 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.266 4.445 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.214 5.477 6.925 1.00 0.00 H new ATOM 744 N LEU A 960 -6.548 4.176 5.944 1.00 0.00 N ATOM 745 CA LEU A 960 -7.636 3.215 6.000 1.00 0.00 C ATOM 746 C LEU A 960 -7.612 2.303 4.778 1.00 0.00 C ATOM 747 O LEU A 960 -7.994 1.142 4.865 1.00 0.00 O ATOM 748 CB LEU A 960 -8.985 3.925 6.094 1.00 0.00 C ATOM 749 CG LEU A 960 -10.171 3.015 6.409 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.073 2.479 7.830 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.480 3.763 6.205 1.00 0.00 C ATOM 0 H LEU A 960 -6.839 5.134 5.749 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.500 2.608 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -8.921 4.694 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.177 4.434 5.150 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.148 2.167 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -10.927 1.833 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.151 1.908 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.071 3.312 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.316 3.102 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.511 4.629 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.552 4.095 5.169 1.00 0.00 H new ATOM 763 N ALA A 961 -7.153 2.810 3.648 1.00 0.00 N ATOM 764 CA ALA A 961 -7.106 1.999 2.441 1.00 0.00 C ATOM 765 C ALA A 961 -5.977 0.969 2.517 1.00 0.00 C ATOM 766 O ALA A 961 -6.216 -0.232 2.459 1.00 0.00 O ATOM 767 CB ALA A 961 -6.921 2.897 1.236 1.00 0.00 C ATOM 0 H ALA A 961 -6.812 3.765 3.539 1.00 0.00 H new ATOM 0 HA ALA A 961 -8.047 1.457 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.886 2.290 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.755 3.596 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.989 3.453 1.336 1.00 0.00 H new ATOM 773 N LEU A 962 -4.750 1.462 2.639 1.00 0.00 N ATOM 774 CA LEU A 962 -3.570 0.629 2.895 1.00 0.00 C ATOM 775 C LEU A 962 -3.761 -0.328 4.080 1.00 0.00 C ATOM 776 O LEU A 962 -3.251 -1.444 4.028 1.00 0.00 O ATOM 777 CB LEU A 962 -2.313 1.523 3.060 1.00 0.00 C ATOM 778 CG LEU A 962 -2.273 2.429 4.302 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.892 1.659 5.559 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.312 3.582 4.076 1.00 0.00 C ATOM 0 H LEU A 962 -4.539 2.457 2.563 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.424 -0.013 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.435 0.877 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.224 2.153 2.175 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.278 2.822 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.876 2.338 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.622 0.870 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.904 1.217 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.291 4.217 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.312 3.191 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.641 4.167 3.217 1.00 0.00 H new ATOM 792 N ARG A 963 -4.473 0.050 5.135 1.00 0.00 N ATOM 793 CA ARG A 963 -4.725 -0.924 6.201 1.00 0.00 C ATOM 794 C ARG A 963 -5.708 -1.993 5.743 1.00 0.00 C ATOM 795 O ARG A 963 -5.575 -3.153 6.116 1.00 0.00 O ATOM 796 CB ARG A 963 -5.223 -0.265 7.487 1.00 0.00 C ATOM 797 CG ARG A 963 -6.659 0.226 7.415 1.00 0.00 C ATOM 798 CD ARG A 963 -7.616 -0.755 8.076 1.00 0.00 C ATOM 799 NE ARG A 963 -7.205 -1.080 9.443 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.006 -2.324 9.884 1.00 0.00 C ATOM 801 NH1 ARG A 963 -7.261 -3.365 9.101 1.00 0.00 N ATOM 802 NH2 ARG A 963 -6.572 -2.536 11.120 1.00 0.00 N ATOM 0 H ARG A 963 -4.872 0.978 5.278 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.768 -1.395 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.135 -0.979 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.574 0.577 7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.738 1.198 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -6.944 0.369 6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.620 -0.330 8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -7.665 -1.669 7.484 1.00 0.00 H new ATOM 0 HE ARG A 963 -7.062 -0.310 10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.612 -3.218 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.106 -4.312 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -6.389 -1.746 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.422 -3.489 11.451 1.00 0.00 H new ATOM 816 N THR A 964 -6.692 -1.617 4.940 1.00 0.00 N ATOM 817 CA THR A 964 -7.630 -2.595 4.426 1.00 0.00 C ATOM 818 C THR A 964 -6.934 -3.472 3.387 1.00 0.00 C ATOM 819 O THR A 964 -7.296 -4.632 3.188 1.00 0.00 O ATOM 820 CB THR A 964 -8.894 -1.931 3.843 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.406 -0.972 4.781 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.974 -2.979 3.584 1.00 0.00 C ATOM 0 H THR A 964 -6.858 -0.658 4.636 1.00 0.00 H new ATOM 0 HA THR A 964 -7.963 -3.220 5.254 1.00 0.00 H new ATOM 0 HB THR A 964 -8.628 -1.443 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.881 -0.147 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.860 -2.495 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.602 -3.718 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.233 -3.474 4.520 1.00 0.00 H new ATOM 830 N LEU A 965 -5.912 -2.913 2.744 1.00 0.00 N ATOM 831 CA LEU A 965 -5.017 -3.692 1.901 1.00 0.00 C ATOM 832 C LEU A 965 -4.245 -4.675 2.754 1.00 0.00 C ATOM 833 O LEU A 965 -4.116 -5.855 2.436 1.00 0.00 O ATOM 834 CB LEU A 965 -4.006 -2.797 1.193 1.00 0.00 C ATOM 835 CG LEU A 965 -2.890 -3.560 0.469 1.00 0.00 C ATOM 836 CD1 LEU A 965 -3.437 -4.318 -0.724 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.791 -2.613 0.038 1.00 0.00 C ATOM 0 H LEU A 965 -5.685 -1.920 2.793 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.627 -4.208 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.533 -2.174 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.556 -2.126 1.925 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.469 -4.284 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.625 -4.850 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -4.188 -5.033 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.892 -3.616 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.008 -3.173 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.202 -1.863 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.371 -2.120 0.915 1.00 0.00 H new ATOM 849 N LEU A 966 -3.744 -4.161 3.866 1.00 0.00 N ATOM 850 CA LEU A 966 -2.912 -4.937 4.751 1.00 0.00 C ATOM 851 C LEU A 966 -3.745 -6.054 5.344 1.00 0.00 C ATOM 852 O LEU A 966 -3.273 -7.161 5.519 1.00 0.00 O ATOM 853 CB LEU A 966 -2.329 -4.025 5.844 1.00 0.00 C ATOM 854 CG LEU A 966 -1.419 -4.693 6.880 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.345 -3.719 7.336 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.227 -5.169 8.081 1.00 0.00 C ATOM 0 H LEU A 966 -3.905 -3.202 4.173 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.077 -5.376 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.765 -3.228 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.158 -3.553 6.372 1.00 0.00 H new ATOM 0 HG LEU A 966 -0.947 -5.558 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.297 -4.203 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.254 -3.411 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -0.815 -2.843 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.561 -5.640 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.723 -4.317 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -2.975 -5.891 7.753 1.00 0.00 H new ATOM 868 N ALA A 967 -5.007 -5.737 5.629 1.00 0.00 N ATOM 869 CA ALA A 967 -5.947 -6.695 6.189 1.00 0.00 C ATOM 870 C ALA A 967 -6.450 -7.693 5.152 1.00 0.00 C ATOM 871 O ALA A 967 -6.778 -8.811 5.508 1.00 0.00 O ATOM 872 CB ALA A 967 -7.115 -5.981 6.841 1.00 0.00 C ATOM 0 H ALA A 967 -5.402 -4.809 5.477 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.406 -7.262 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -7.806 -6.716 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -6.748 -5.339 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.632 -5.374 6.097 1.00 0.00 H new ATOM 878 N THR A 968 -6.522 -7.307 3.885 1.00 0.00 N ATOM 879 CA THR A 968 -6.888 -8.262 2.840 1.00 0.00 C ATOM 880 C THR A 968 -5.738 -9.241 2.599 1.00 0.00 C ATOM 881 O THR A 968 -5.954 -10.429 2.363 1.00 0.00 O ATOM 882 CB THR A 968 -7.295 -7.563 1.524 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.527 -6.376 1.328 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.772 -7.211 1.538 1.00 0.00 C ATOM 0 H THR A 968 -6.336 -6.359 3.557 1.00 0.00 H new ATOM 0 HA THR A 968 -7.762 -8.813 3.189 1.00 0.00 H new ATOM 0 HB THR A 968 -7.101 -8.255 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.962 -5.626 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 968 -9.038 -6.720 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.362 -8.121 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.978 -6.540 2.372 1.00 0.00 H new ATOM 892 N VAL A 969 -4.519 -8.727 2.692 1.00 0.00 N ATOM 893 CA VAL A 969 -3.313 -9.555 2.667 1.00 0.00 C ATOM 894 C VAL A 969 -3.173 -10.333 3.984 1.00 0.00 C ATOM 895 O VAL A 969 -2.852 -11.521 3.984 1.00 0.00 O ATOM 896 CB VAL A 969 -2.047 -8.704 2.417 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.795 -9.567 2.434 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.158 -7.953 1.100 1.00 0.00 C ATOM 0 H VAL A 969 -4.335 -7.728 2.787 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.412 -10.261 1.842 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.967 -7.977 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.080 -8.942 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.702 -10.053 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.865 -10.325 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.257 -7.360 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.271 -8.666 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -3.026 -7.294 1.129 1.00 0.00 H new ATOM 908 N ASP A 970 -3.498 -9.690 5.091 1.00 0.00 N ATOM 909 CA ASP A 970 -3.401 -10.336 6.401 1.00 0.00 C ATOM 910 C ASP A 970 -4.413 -11.462 6.456 1.00 0.00 C ATOM 911 O ASP A 970 -4.162 -12.547 6.991 1.00 0.00 O ATOM 912 CB ASP A 970 -3.666 -9.327 7.523 1.00 0.00 C ATOM 913 CG ASP A 970 -3.696 -9.957 8.897 1.00 0.00 C ATOM 914 OD1 ASP A 970 -2.623 -10.306 9.422 1.00 0.00 O ATOM 915 OD2 ASP A 970 -4.799 -10.102 9.463 1.00 0.00 O ATOM 0 H ASP A 970 -3.830 -8.726 5.117 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.395 -10.731 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -2.894 -8.557 7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.618 -8.829 7.338 1.00 0.00 H new ATOM 920 N GLU A 971 -5.557 -11.185 5.864 1.00 0.00 N ATOM 921 CA GLU A 971 -6.620 -12.151 5.741 1.00 0.00 C ATOM 922 C GLU A 971 -6.150 -13.318 4.879 1.00 0.00 C ATOM 923 O GLU A 971 -6.468 -14.468 5.152 1.00 0.00 O ATOM 924 CB GLU A 971 -7.827 -11.467 5.118 1.00 0.00 C ATOM 925 CG GLU A 971 -9.149 -12.154 5.395 1.00 0.00 C ATOM 926 CD GLU A 971 -9.626 -11.928 6.812 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.212 -10.856 7.077 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.425 -12.816 7.665 1.00 0.00 O ATOM 0 H GLU A 971 -5.773 -10.277 5.453 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.897 -12.541 6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -7.879 -10.443 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.680 -11.410 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.901 -11.785 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.045 -13.224 5.215 1.00 0.00 H new ATOM 935 N SER A 972 -5.358 -13.004 3.856 1.00 0.00 N ATOM 936 CA SER A 972 -4.750 -14.014 2.996 1.00 0.00 C ATOM 937 C SER A 972 -3.789 -14.908 3.774 1.00 0.00 C ATOM 938 O SER A 972 -3.456 -16.002 3.318 1.00 0.00 O ATOM 939 CB SER A 972 -4.009 -13.361 1.823 1.00 0.00 C ATOM 940 OG SER A 972 -4.916 -12.871 0.850 1.00 0.00 O ATOM 0 H SER A 972 -5.121 -12.045 3.601 1.00 0.00 H new ATOM 0 HA SER A 972 -5.559 -14.632 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.390 -12.543 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.338 -14.087 1.365 1.00 0.00 H new ATOM 0 HG SER A 972 -5.352 -12.061 1.188 1.00 0.00 H new ATOM 946 N LEU A 973 -3.356 -14.458 4.949 1.00 0.00 N ATOM 947 CA LEU A 973 -2.389 -15.221 5.729 1.00 0.00 C ATOM 948 C LEU A 973 -3.033 -16.508 6.262 1.00 0.00 C ATOM 949 O LEU A 973 -2.484 -17.589 6.054 1.00 0.00 O ATOM 950 CB LEU A 973 -1.808 -14.360 6.868 1.00 0.00 C ATOM 951 CG LEU A 973 -0.596 -14.941 7.612 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.197 -13.825 8.277 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.029 -15.956 8.662 1.00 0.00 C ATOM 0 H LEU A 973 -3.655 -13.581 5.376 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.560 -15.507 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.524 -13.393 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.599 -14.176 7.595 1.00 0.00 H new ATOM 0 HG LEU A 973 0.033 -15.448 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.053 -14.250 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.547 -13.125 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.440 -13.300 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.150 -16.350 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.683 -15.472 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.565 -16.773 8.179 1.00 0.00 H new ATOM 965 N PRO A 974 -4.199 -16.438 6.954 1.00 0.00 N ATOM 966 CA PRO A 974 -4.914 -17.642 7.378 1.00 0.00 C ATOM 967 C PRO A 974 -5.893 -18.179 6.327 1.00 0.00 C ATOM 968 O PRO A 974 -6.373 -19.308 6.450 1.00 0.00 O ATOM 969 CB PRO A 974 -5.672 -17.199 8.637 1.00 0.00 C ATOM 970 CG PRO A 974 -5.431 -15.725 8.774 1.00 0.00 C ATOM 971 CD PRO A 974 -4.872 -15.249 7.462 1.00 0.00 C ATOM 0 HA PRO A 974 -4.219 -18.465 7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.737 -17.412 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.314 -17.735 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.358 -15.203 9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.734 -15.522 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.657 -14.908 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.181 -14.417 7.594 1.00 0.00 H new ATOM 979 N VAL A 975 -6.214 -17.381 5.306 1.00 0.00 N ATOM 980 CA VAL A 975 -7.020 -17.887 4.195 1.00 0.00 C ATOM 981 C VAL A 975 -6.270 -19.010 3.496 1.00 0.00 C ATOM 982 O VAL A 975 -6.840 -20.060 3.192 1.00 0.00 O ATOM 983 CB VAL A 975 -7.404 -16.785 3.176 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.826 -17.389 1.841 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.533 -15.927 3.725 1.00 0.00 C ATOM 0 H VAL A 975 -5.935 -16.403 5.226 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.954 -18.261 4.615 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.523 -16.165 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.089 -16.590 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -7.002 -17.971 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.689 -18.038 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.792 -15.157 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.405 -16.552 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.213 -15.455 4.654 1.00 0.00 H new ATOM 1049 N THR A 980 2.280 -19.794 3.146 1.00 0.00 N ATOM 1050 CA THR A 980 2.520 -18.483 2.563 1.00 0.00 C ATOM 1051 C THR A 980 2.674 -17.389 3.633 1.00 0.00 C ATOM 1052 O THR A 980 3.056 -16.258 3.322 1.00 0.00 O ATOM 1053 CB THR A 980 1.360 -18.148 1.606 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.128 -19.270 0.743 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.662 -16.928 0.761 1.00 0.00 C ATOM 0 HA THR A 980 3.462 -18.515 2.015 1.00 0.00 H new ATOM 0 HB THR A 980 0.477 -17.931 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.498 -20.080 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.819 -16.726 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 980 1.829 -16.068 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 980 2.556 -17.111 0.164 1.00 0.00 H new ATOM 1063 N HIS A 981 2.450 -17.763 4.892 1.00 0.00 N ATOM 1064 CA HIS A 981 2.381 -16.804 6.008 1.00 0.00 C ATOM 1065 C HIS A 981 3.562 -15.834 6.066 1.00 0.00 C ATOM 1066 O HIS A 981 3.368 -14.665 6.383 1.00 0.00 O ATOM 1067 CB HIS A 981 2.252 -17.520 7.365 1.00 0.00 C ATOM 1068 CG HIS A 981 3.530 -18.096 7.893 1.00 0.00 C ATOM 1069 ND1 HIS A 981 4.099 -17.710 9.085 1.00 0.00 N ATOM 1070 CD2 HIS A 981 4.335 -19.046 7.385 1.00 0.00 C ATOM 1071 CE1 HIS A 981 5.203 -18.399 9.284 1.00 0.00 C ATOM 1072 NE2 HIS A 981 5.374 -19.223 8.267 1.00 0.00 N ATOM 0 H HIS A 981 2.311 -18.734 5.173 1.00 0.00 H new ATOM 0 HA HIS A 981 1.484 -16.216 5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.858 -16.815 8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.520 -18.322 7.269 1.00 0.00 H new ATOM 0 HD2 HIS A 981 4.191 -19.574 6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 981 5.859 -18.306 10.137 1.00 0.00 H new ATOM 0 HE2 HIS A 981 6.146 -19.880 8.155 1.00 0.00 H new ATOM 1081 N ARG A 982 4.769 -16.275 5.729 1.00 0.00 N ATOM 1082 CA ARG A 982 5.932 -15.441 6.015 1.00 0.00 C ATOM 1083 C ARG A 982 6.162 -14.387 4.938 1.00 0.00 C ATOM 1084 O ARG A 982 6.797 -13.372 5.208 1.00 0.00 O ATOM 1085 CB ARG A 982 7.202 -16.248 6.267 1.00 0.00 C ATOM 1086 CG ARG A 982 7.764 -16.920 5.028 1.00 0.00 C ATOM 1087 CD ARG A 982 9.188 -17.390 5.259 1.00 0.00 C ATOM 1088 NE ARG A 982 9.276 -18.420 6.290 1.00 0.00 N ATOM 1089 CZ ARG A 982 9.811 -19.620 6.085 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.310 -19.929 4.896 1.00 0.00 N ATOM 1091 NH2 ARG A 982 9.848 -20.507 7.069 1.00 0.00 N ATOM 0 H ARG A 982 4.966 -17.167 5.276 1.00 0.00 H new ATOM 0 HA ARG A 982 5.697 -14.925 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.962 -15.588 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.993 -17.010 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.137 -17.769 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.739 -16.223 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.595 -17.779 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.806 -16.539 5.546 1.00 0.00 H new ATOM 0 HE ARG A 982 8.907 -18.208 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.283 -19.246 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 982 10.720 -20.849 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.466 -20.269 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 982 10.259 -21.427 6.911 1.00 0.00 H new ATOM 1105 N GLU A 983 5.658 -14.588 3.730 1.00 0.00 N ATOM 1106 CA GLU A 983 5.699 -13.511 2.750 1.00 0.00 C ATOM 1107 C GLU A 983 4.584 -12.542 3.015 1.00 0.00 C ATOM 1108 O GLU A 983 4.737 -11.333 2.865 1.00 0.00 O ATOM 1109 CB GLU A 983 5.596 -14.004 1.324 1.00 0.00 C ATOM 1110 CG GLU A 983 6.908 -13.781 0.581 1.00 0.00 C ATOM 1111 CD GLU A 983 6.969 -14.371 -0.812 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.104 -15.596 -0.931 1.00 0.00 O ATOM 1113 OE2 GLU A 983 6.934 -13.615 -1.794 1.00 0.00 O ATOM 0 H GLU A 983 5.229 -15.456 3.410 1.00 0.00 H new ATOM 0 HA GLU A 983 6.669 -13.026 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 983 5.345 -15.065 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.788 -13.482 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 983 7.090 -12.709 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 983 7.719 -14.205 1.173 1.00 0.00 H new ATOM 1120 N ILE A 984 3.471 -13.088 3.445 1.00 0.00 N ATOM 1121 CA ILE A 984 2.316 -12.292 3.768 1.00 0.00 C ATOM 1122 C ILE A 984 2.643 -11.412 4.946 1.00 0.00 C ATOM 1123 O ILE A 984 2.249 -10.248 4.959 1.00 0.00 O ATOM 1124 CB ILE A 984 1.089 -13.165 4.095 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.707 -14.030 2.898 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.082 -12.309 4.535 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.099 -15.251 3.257 1.00 0.00 C ATOM 0 H ILE A 984 3.343 -14.091 3.579 1.00 0.00 H new ATOM 0 HA ILE A 984 2.064 -11.687 2.897 1.00 0.00 H new ATOM 0 HB ILE A 984 1.354 -13.825 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 984 0.137 -13.425 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.616 -14.345 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.936 -12.948 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.194 -11.745 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.348 -11.617 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.331 -15.813 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 984 0.476 -15.879 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.026 -14.945 3.742 1.00 0.00 H new ATOM 1139 N GLU A 985 3.403 -11.909 5.898 1.00 0.00 N ATOM 1140 CA GLU A 985 3.680 -11.089 7.049 1.00 0.00 C ATOM 1141 C GLU A 985 4.685 -9.990 6.691 1.00 0.00 C ATOM 1142 O GLU A 985 4.566 -8.849 7.131 1.00 0.00 O ATOM 1143 CB GLU A 985 4.150 -11.923 8.246 1.00 0.00 C ATOM 1144 CG GLU A 985 5.454 -12.656 8.008 1.00 0.00 C ATOM 1145 CD GLU A 985 5.745 -13.690 9.072 1.00 0.00 C ATOM 1146 OE1 GLU A 985 5.110 -14.762 9.056 1.00 0.00 O ATOM 1147 OE2 GLU A 985 6.612 -13.438 9.933 1.00 0.00 O ATOM 0 H GLU A 985 3.824 -12.838 5.899 1.00 0.00 H new ATOM 0 HA GLU A 985 2.749 -10.611 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 985 4.265 -11.268 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 985 3.377 -12.649 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 985 5.420 -13.143 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 985 6.271 -11.935 7.975 1.00 0.00 H new ATOM 1154 N MET A 986 5.662 -10.361 5.859 1.00 0.00 N ATOM 1155 CA MET A 986 6.786 -9.495 5.507 1.00 0.00 C ATOM 1156 C MET A 986 6.360 -8.357 4.580 1.00 0.00 C ATOM 1157 O MET A 986 6.860 -7.240 4.657 1.00 0.00 O ATOM 1158 CB MET A 986 7.863 -10.335 4.813 1.00 0.00 C ATOM 1159 CG MET A 986 9.095 -9.551 4.384 1.00 0.00 C ATOM 1160 SD MET A 986 10.293 -10.574 3.504 1.00 0.00 S ATOM 1161 CE MET A 986 11.547 -9.359 3.108 1.00 0.00 C ATOM 0 H MET A 986 5.694 -11.276 5.409 1.00 0.00 H new ATOM 0 HA MET A 986 7.172 -9.051 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.173 -11.134 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.426 -10.810 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.790 -8.723 3.744 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.570 -9.116 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 986 12.359 -9.839 2.561 1.00 0.00 H new ATOM 0 HE2 MET A 986 11.110 -8.572 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.937 -8.925 4.029 1.00 0.00 H new ATOM 1171 N ALA A 987 5.449 -8.684 3.681 1.00 0.00 N ATOM 1172 CA ALA A 987 5.035 -7.784 2.613 1.00 0.00 C ATOM 1173 C ALA A 987 4.102 -6.691 3.121 1.00 0.00 C ATOM 1174 O ALA A 987 4.299 -5.512 2.826 1.00 0.00 O ATOM 1175 CB ALA A 987 4.382 -8.575 1.500 1.00 0.00 C ATOM 0 H ALA A 987 4.972 -9.585 3.669 1.00 0.00 H new ATOM 0 HA ALA A 987 5.925 -7.288 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.074 -7.897 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 987 5.092 -9.301 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.508 -9.098 1.889 1.00 0.00 H new ATOM 1181 N GLN A 988 3.068 -7.084 3.859 1.00 0.00 N ATOM 1182 CA GLN A 988 2.196 -6.101 4.514 1.00 0.00 C ATOM 1183 C GLN A 988 3.021 -5.242 5.476 1.00 0.00 C ATOM 1184 O GLN A 988 2.687 -4.093 5.761 1.00 0.00 O ATOM 1185 CB GLN A 988 1.034 -6.791 5.242 1.00 0.00 C ATOM 1186 CG GLN A 988 1.454 -7.724 6.368 1.00 0.00 C ATOM 1187 CD GLN A 988 0.295 -8.549 6.899 1.00 0.00 C ATOM 1188 OE1 GLN A 988 0.475 -9.678 7.359 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -0.899 -7.984 6.853 1.00 0.00 N ATOM 0 H GLN A 988 2.812 -8.058 4.020 1.00 0.00 H new ATOM 0 HA GLN A 988 1.760 -5.454 3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.373 -6.026 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.454 -7.359 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.238 -8.392 6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.882 -7.138 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.005 -7.047 6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -1.714 -8.485 7.206 1.00 0.00 H new ATOM 1198 N LYS A 989 4.110 -5.830 5.943 1.00 0.00 N ATOM 1199 CA LYS A 989 5.117 -5.158 6.751 1.00 0.00 C ATOM 1200 C LYS A 989 5.926 -4.163 5.916 1.00 0.00 C ATOM 1201 O LYS A 989 6.328 -3.107 6.396 1.00 0.00 O ATOM 1202 CB LYS A 989 6.026 -6.246 7.304 1.00 0.00 C ATOM 1203 CG LYS A 989 7.185 -5.781 8.166 1.00 0.00 C ATOM 1204 CD LYS A 989 8.413 -5.419 7.343 1.00 0.00 C ATOM 1205 CE LYS A 989 9.600 -5.065 8.228 1.00 0.00 C ATOM 1206 NZ LYS A 989 9.348 -3.857 9.053 1.00 0.00 N ATOM 0 H LYS A 989 4.324 -6.812 5.767 1.00 0.00 H new ATOM 0 HA LYS A 989 4.646 -4.587 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.418 -6.934 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.430 -6.813 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 989 6.875 -4.915 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.445 -6.567 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.678 -6.256 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.180 -4.576 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 989 9.827 -5.907 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.479 -4.899 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 10.222 -3.586 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 9.041 -3.075 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 8.604 -4.062 9.750 1.00 0.00 H new ATOM 1220 N LEU A 990 6.244 -4.555 4.687 1.00 0.00 N ATOM 1221 CA LEU A 990 6.947 -3.669 3.775 1.00 0.00 C ATOM 1222 C LEU A 990 6.197 -2.349 3.583 1.00 0.00 C ATOM 1223 O LEU A 990 6.738 -1.276 3.860 1.00 0.00 O ATOM 1224 CB LEU A 990 7.147 -4.347 2.434 1.00 0.00 C ATOM 1225 CG LEU A 990 7.848 -3.478 1.414 1.00 0.00 C ATOM 1226 CD1 LEU A 990 9.342 -3.421 1.696 1.00 0.00 C ATOM 1227 CD2 LEU A 990 7.572 -3.986 0.009 1.00 0.00 C ATOM 0 H LEU A 990 6.027 -5.475 4.304 1.00 0.00 H new ATOM 0 HA LEU A 990 7.918 -3.445 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.725 -5.259 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.176 -4.645 2.039 1.00 0.00 H new ATOM 0 HG LEU A 990 7.456 -2.464 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 990 9.829 -2.791 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.509 -3.004 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.760 -4.427 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 990 8.083 -3.351 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.936 -5.009 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 990 6.499 -3.963 -0.182 1.00 0.00 H new ATOM 1239 N LEU A 991 4.953 -2.439 3.118 1.00 0.00 N ATOM 1240 CA LEU A 991 4.101 -1.261 2.947 1.00 0.00 C ATOM 1241 C LEU A 991 4.004 -0.503 4.256 1.00 0.00 C ATOM 1242 O LEU A 991 3.985 0.725 4.288 1.00 0.00 O ATOM 1243 CB LEU A 991 2.695 -1.683 2.549 1.00 0.00 C ATOM 1244 CG LEU A 991 1.825 -0.571 1.973 1.00 0.00 C ATOM 1245 CD1 LEU A 991 2.233 -0.270 0.543 1.00 0.00 C ATOM 1246 CD2 LEU A 991 0.357 -0.950 2.057 1.00 0.00 C ATOM 0 H LEU A 991 4.510 -3.318 2.852 1.00 0.00 H new ATOM 0 HA LEU A 991 4.539 -0.633 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.767 -2.484 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.195 -2.098 3.424 1.00 0.00 H new ATOM 0 HG LEU A 991 1.973 0.333 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 991 1.603 0.526 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.276 0.047 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.113 -1.166 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.251 -0.146 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 991 0.184 -1.865 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 991 0.082 -1.112 3.099 1.00 0.00 H new ATOM 1258 N ASN A 992 3.982 -1.285 5.325 1.00 0.00 N ATOM 1259 CA ASN A 992 3.833 -0.809 6.691 1.00 0.00 C ATOM 1260 C ASN A 992 4.789 0.346 7.007 1.00 0.00 C ATOM 1261 O ASN A 992 4.365 1.398 7.486 1.00 0.00 O ATOM 1262 CB ASN A 992 4.121 -1.979 7.620 1.00 0.00 C ATOM 1263 CG ASN A 992 3.958 -1.656 9.087 1.00 0.00 C ATOM 1264 OD1 ASN A 992 4.871 -1.133 9.729 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.807 -2.005 9.639 1.00 0.00 N ATOM 0 H ASN A 992 4.070 -2.299 5.263 1.00 0.00 H new ATOM 0 HA ASN A 992 2.820 -0.430 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.456 -2.804 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 992 5.140 -2.325 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.649 -1.844 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.078 -2.435 9.070 1.00 0.00 H new ATOM 1272 N SER A 993 6.067 0.157 6.740 1.00 0.00 N ATOM 1273 CA SER A 993 7.048 1.203 6.998 1.00 0.00 C ATOM 1274 C SER A 993 6.971 2.336 5.972 1.00 0.00 C ATOM 1275 O SER A 993 7.160 3.498 6.335 1.00 0.00 O ATOM 1276 CB SER A 993 8.460 0.616 7.063 1.00 0.00 C ATOM 1277 OG SER A 993 9.448 1.627 7.202 1.00 0.00 O ATOM 0 H SER A 993 6.452 -0.702 6.348 1.00 0.00 H new ATOM 0 HA SER A 993 6.808 1.638 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.527 -0.075 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.655 0.039 6.159 1.00 0.00 H new ATOM 0 HG SER A 993 10.336 1.214 7.242 1.00 0.00 H new ATOM 1283 N ASP A 994 6.685 2.034 4.719 1.00 0.00 N ATOM 1284 CA ASP A 994 6.643 3.102 3.717 1.00 0.00 C ATOM 1285 C ASP A 994 5.450 4.038 3.932 1.00 0.00 C ATOM 1286 O ASP A 994 5.552 5.242 3.730 1.00 0.00 O ATOM 1287 CB ASP A 994 6.679 2.543 2.300 1.00 0.00 C ATOM 1288 CG ASP A 994 8.105 2.360 1.824 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.825 1.516 2.399 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.527 3.076 0.893 1.00 0.00 O ATOM 0 H ASP A 994 6.484 1.096 4.371 1.00 0.00 H new ATOM 0 HA ASP A 994 7.543 3.702 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.156 1.587 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.151 3.217 1.626 1.00 0.00 H new ATOM 1295 N LEU A 995 4.326 3.474 4.349 1.00 0.00 N ATOM 1296 CA LEU A 995 3.155 4.248 4.755 1.00 0.00 C ATOM 1297 C LEU A 995 3.420 4.959 6.071 1.00 0.00 C ATOM 1298 O LEU A 995 2.802 5.985 6.349 1.00 0.00 O ATOM 1299 CB LEU A 995 1.908 3.366 4.856 1.00 0.00 C ATOM 1300 CG LEU A 995 1.895 2.368 6.020 1.00 0.00 C ATOM 1301 CD1 LEU A 995 1.179 2.950 7.231 1.00 0.00 C ATOM 1302 CD2 LEU A 995 1.254 1.061 5.598 1.00 0.00 C ATOM 0 H LEU A 995 4.197 2.464 4.417 1.00 0.00 H new ATOM 0 HA LEU A 995 2.966 4.997 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.034 4.012 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.801 2.811 3.924 1.00 0.00 H new ATOM 0 HG LEU A 995 2.929 2.168 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.184 2.221 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.690 3.857 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 995 0.149 3.189 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 995 1.255 0.367 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.228 1.245 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.818 0.630 4.771 1.00 0.00 H new ATOM 1314 N ALA A 996 4.347 4.463 6.864 1.00 0.00 N ATOM 1315 CA ALA A 996 4.780 5.226 8.028 1.00 0.00 C ATOM 1316 C ALA A 996 5.651 6.409 7.585 1.00 0.00 C ATOM 1317 O ALA A 996 5.650 7.463 8.228 1.00 0.00 O ATOM 1318 CB ALA A 996 5.487 4.349 9.049 1.00 0.00 C ATOM 0 H ALA A 996 4.807 3.562 6.735 1.00 0.00 H new ATOM 0 HA ALA A 996 3.896 5.622 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.793 4.957 9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.809 3.566 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.366 3.895 8.592 1.00 0.00 H new ATOM 1324 N GLU A 997 6.336 6.272 6.456 1.00 0.00 N ATOM 1325 CA GLU A 997 7.052 7.401 5.871 1.00 0.00 C ATOM 1326 C GLU A 997 6.063 8.335 5.222 1.00 0.00 C ATOM 1327 O GLU A 997 6.143 9.550 5.370 1.00 0.00 O ATOM 1328 CB GLU A 997 8.052 6.954 4.815 1.00 0.00 C ATOM 1329 CG GLU A 997 9.053 5.949 5.312 1.00 0.00 C ATOM 1330 CD GLU A 997 10.300 5.928 4.460 1.00 0.00 C ATOM 1331 OE1 GLU A 997 10.803 7.021 4.111 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.796 4.825 4.145 1.00 0.00 O ATOM 0 H GLU A 997 6.411 5.401 5.931 1.00 0.00 H new ATOM 0 HA GLU A 997 7.596 7.898 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.509 6.526 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.585 7.828 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.321 6.183 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.600 4.958 5.317 1.00 0.00 H new ATOM 1339 N LEU A 998 5.104 7.739 4.545 1.00 0.00 N ATOM 1340 CA LEU A 998 4.118 8.461 3.779 1.00 0.00 C ATOM 1341 C LEU A 998 3.402 9.495 4.646 1.00 0.00 C ATOM 1342 O LEU A 998 3.285 10.664 4.271 1.00 0.00 O ATOM 1343 CB LEU A 998 3.164 7.430 3.170 1.00 0.00 C ATOM 1344 CG LEU A 998 1.801 7.902 2.627 1.00 0.00 C ATOM 1345 CD1 LEU A 998 0.776 8.078 3.738 1.00 0.00 C ATOM 1346 CD2 LEU A 998 1.950 9.179 1.829 1.00 0.00 C ATOM 0 H LEU A 998 4.989 6.726 4.513 1.00 0.00 H new ATOM 0 HA LEU A 998 4.586 9.031 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.691 6.937 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.971 6.672 3.929 1.00 0.00 H new ATOM 0 HG LEU A 998 1.431 7.121 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 998 -0.170 8.411 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 998 0.628 7.127 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.135 8.821 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.974 9.491 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 998 2.362 9.961 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 998 2.621 9.006 0.988 1.00 0.00 H new ATOM 1358 N ILE A 999 2.981 9.073 5.831 1.00 0.00 N ATOM 1359 CA ILE A 999 2.278 9.959 6.755 1.00 0.00 C ATOM 1360 C ILE A 999 3.200 11.068 7.268 1.00 0.00 C ATOM 1361 O ILE A 999 2.803 12.230 7.327 1.00 0.00 O ATOM 1362 CB ILE A 999 1.701 9.174 7.955 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.764 8.066 7.465 1.00 0.00 C ATOM 1364 CG2 ILE A 999 0.963 10.109 8.903 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.256 7.167 8.574 1.00 0.00 C ATOM 0 H ILE A 999 3.113 8.123 6.177 1.00 0.00 H new ATOM 0 HA ILE A 999 1.455 10.411 6.201 1.00 0.00 H new ATOM 0 HB ILE A 999 2.529 8.718 8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -0.087 8.520 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.288 7.458 6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.564 9.537 9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 999 1.652 10.867 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.144 10.593 8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.402 6.406 8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.100 6.685 9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.297 7.762 9.301 1.00 0.00 H new ATOM 1377 N ASN A1000 4.434 10.705 7.618 1.00 0.00 N ATOM 1378 CA ASN A1000 5.404 11.667 8.159 1.00 0.00 C ATOM 1379 C ASN A1000 5.673 12.826 7.196 1.00 0.00 C ATOM 1380 O ASN A1000 5.672 13.996 7.582 1.00 0.00 O ATOM 1381 CB ASN A1000 6.732 10.969 8.480 1.00 0.00 C ATOM 1382 CG ASN A1000 6.799 10.471 9.913 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.178 11.213 10.820 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.462 9.209 10.128 1.00 0.00 N ATOM 0 H ASN A1000 4.789 9.752 7.538 1.00 0.00 H new ATOM 0 HA ASN A1000 4.964 12.074 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A1000 6.870 10.128 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.555 11.661 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.512 8.821 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.153 8.624 9.352 1.00 0.00 H new ATOM 1391 N LYS A1001 5.860 12.485 5.930 1.00 0.00 N ATOM 1392 CA LYS A1001 6.303 13.448 4.922 1.00 0.00 C ATOM 1393 C LYS A1001 5.136 14.349 4.577 1.00 0.00 C ATOM 1394 O LYS A1001 5.260 15.571 4.455 1.00 0.00 O ATOM 1395 CB LYS A1001 6.794 12.738 3.649 1.00 0.00 C ATOM 1396 CG LYS A1001 7.651 11.498 3.893 1.00 0.00 C ATOM 1397 CD LYS A1001 8.985 11.815 4.552 1.00 0.00 C ATOM 1398 CE LYS A1001 9.744 10.538 4.914 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.010 9.665 3.729 1.00 0.00 N ATOM 0 H LYS A1001 5.712 11.542 5.570 1.00 0.00 H new ATOM 0 HA LYS A1001 7.134 14.026 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.927 12.451 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.369 13.447 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A1001 7.099 10.800 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.832 10.996 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.590 12.422 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.817 12.408 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.691 10.805 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.170 9.977 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.481 8.792 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.111 9.427 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.624 10.169 3.057 1.00 0.00 H new ATOM 1413 N MET A1002 3.985 13.719 4.487 1.00 0.00 N ATOM 1414 CA MET A1002 2.752 14.395 4.236 1.00 0.00 C ATOM 1415 C MET A1002 2.551 15.443 5.316 1.00 0.00 C ATOM 1416 O MET A1002 2.301 16.620 5.035 1.00 0.00 O ATOM 1417 CB MET A1002 1.650 13.343 4.282 1.00 0.00 C ATOM 1418 CG MET A1002 0.324 13.797 3.732 1.00 0.00 C ATOM 1419 SD MET A1002 -0.739 12.413 3.287 1.00 0.00 S ATOM 1420 CE MET A1002 -0.628 11.398 4.755 1.00 0.00 C ATOM 0 H MET A1002 3.889 12.709 4.589 1.00 0.00 H new ATOM 0 HA MET A1002 2.744 14.895 3.267 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.979 12.467 3.723 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.510 13.028 5.316 1.00 0.00 H new ATOM 0 HG2 MET A1002 -0.181 14.417 4.472 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.491 14.421 2.854 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.549 10.828 4.874 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.214 10.712 4.660 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.481 12.035 5.627 1.00 0.00 H new ATOM 1430 N LYS A1003 2.830 15.018 6.545 1.00 0.00 N ATOM 1431 CA LYS A1003 2.497 15.756 7.744 1.00 0.00 C ATOM 1432 C LYS A1003 3.238 17.094 7.828 1.00 0.00 C ATOM 1433 O LYS A1003 2.722 18.070 8.379 1.00 0.00 O ATOM 1434 CB LYS A1003 2.851 14.919 8.977 1.00 0.00 C ATOM 1435 CG LYS A1003 1.709 14.746 9.968 1.00 0.00 C ATOM 1436 CD LYS A1003 0.586 13.911 9.380 1.00 0.00 C ATOM 1437 CE LYS A1003 -0.437 13.522 10.436 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.176 12.753 11.550 1.00 0.00 N ATOM 0 H LYS A1003 3.303 14.134 6.731 1.00 0.00 H new ATOM 0 HA LYS A1003 1.427 15.963 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.184 13.934 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A1003 3.693 15.386 9.489 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.082 14.270 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A1003 1.324 15.724 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.094 14.471 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.001 13.011 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.908 14.421 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -1.225 12.926 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -0.564 12.226 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 0.876 12.086 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.646 13.408 12.207 1.00 0.00 H new ATOM 1452 N LEU A1004 4.452 17.147 7.311 1.00 0.00 N ATOM 1453 CA LEU A1004 5.186 18.403 7.305 1.00 0.00 C ATOM 1454 C LEU A1004 4.796 19.255 6.107 1.00 0.00 C ATOM 1455 O LEU A1004 5.054 20.451 6.100 1.00 0.00 O ATOM 1456 CB LEU A1004 6.702 18.190 7.324 1.00 0.00 C ATOM 1457 CG LEU A1004 7.331 17.846 8.682 1.00 0.00 C ATOM 1458 CD1 LEU A1004 7.050 18.941 9.697 1.00 0.00 C ATOM 1459 CD2 LEU A1004 6.835 16.504 9.195 1.00 0.00 C ATOM 0 H LEU A1004 4.944 16.355 6.898 1.00 0.00 H new ATOM 0 HA LEU A1004 4.914 18.928 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.942 17.389 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.178 19.095 6.948 1.00 0.00 H new ATOM 0 HG LEU A1004 8.409 17.774 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.504 18.677 10.652 1.00 0.00 H new ATOM 0 HD12 LEU A1004 7.470 19.882 9.343 1.00 0.00 H new ATOM 0 HD13 LEU A1004 5.973 19.050 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A1004 7.298 16.289 10.158 1.00 0.00 H new ATOM 0 HD22 LEU A1004 5.752 16.537 9.313 1.00 0.00 H new ATOM 0 HD23 LEU A1004 7.099 15.722 8.483 1.00 0.00 H new ATOM 1471 N ALA A1005 4.133 18.676 5.118 1.00 0.00 N ATOM 1472 CA ALA A1005 3.787 19.452 3.943 1.00 0.00 C ATOM 1473 C ALA A1005 2.832 20.588 4.312 1.00 0.00 C ATOM 1474 O ALA A1005 3.104 21.730 3.984 1.00 0.00 O ATOM 1475 CB ALA A1005 3.235 18.581 2.826 1.00 0.00 C ATOM 0 H ALA A1005 3.832 17.701 5.105 1.00 0.00 H new ATOM 0 HA ALA A1005 4.703 19.899 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.989 19.204 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.983 17.842 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.336 18.071 3.173 1.00 0.00 H new ATOM 1481 N GLN A1006 1.747 20.310 5.015 1.00 0.00 N ATOM 1482 CA GLN A1006 0.841 21.403 5.433 1.00 0.00 C ATOM 1483 C GLN A1006 1.416 22.162 6.607 1.00 0.00 C ATOM 1484 O GLN A1006 1.082 23.344 6.777 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.624 20.974 5.713 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.951 20.565 7.155 1.00 0.00 C ATOM 1487 CD GLN A1006 -1.214 21.737 8.083 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.713 22.782 7.661 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -0.875 21.571 9.350 1.00 0.00 N ATOM 0 H GLN A1006 1.465 19.374 5.308 1.00 0.00 H new ATOM 0 HA GLN A1006 0.779 22.062 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.281 21.798 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -0.866 20.138 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.827 19.916 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -0.123 19.978 7.552 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.465 20.689 9.657 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -1.024 22.325 10.021 1.00 0.00 H new ATOM 1498 N GLN A1007 2.290 21.517 7.398 1.00 0.00 N ATOM 1499 CA GLN A1007 3.051 22.249 8.410 1.00 0.00 C ATOM 1500 C GLN A1007 3.533 23.576 7.834 1.00 0.00 C ATOM 1501 O GLN A1007 3.497 24.612 8.496 1.00 0.00 O ATOM 1502 CB GLN A1007 4.241 21.434 8.911 1.00 0.00 C ATOM 1503 CG GLN A1007 3.880 20.441 10.004 1.00 0.00 C ATOM 1504 CD GLN A1007 3.327 21.116 11.242 1.00 0.00 C ATOM 1505 OE1 GLN A1007 4.075 21.504 12.137 1.00 0.00 O ATOM 1506 NE2 GLN A1007 2.012 21.247 11.311 1.00 0.00 N ATOM 0 H GLN A1007 2.481 20.516 7.355 1.00 0.00 H new ATOM 0 HA GLN A1007 2.393 22.437 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.681 20.895 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A1007 5.005 22.115 9.287 1.00 0.00 H new ATOM 0 HG2 GLN A1007 3.144 19.735 9.620 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.765 19.864 10.273 1.00 0.00 H new ATOM 0 HE21 GLN A1007 1.425 20.912 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A1007 1.585 21.683 12.128 1.00 0.00 H new ATOM 1515 N TYR A1008 3.961 23.539 6.578 1.00 0.00 N ATOM 1516 CA TYR A1008 4.173 24.762 5.834 1.00 0.00 C ATOM 1517 C TYR A1008 3.525 24.672 4.456 1.00 0.00 C ATOM 1518 O TYR A1008 4.142 25.033 3.451 1.00 0.00 O ATOM 1519 CB TYR A1008 5.663 25.099 5.724 1.00 0.00 C ATOM 1520 CG TYR A1008 6.271 25.557 7.032 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.256 26.896 7.395 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.858 24.651 7.904 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.806 27.318 8.590 1.00 0.00 C ATOM 1524 CE2 TYR A1008 7.408 25.062 9.100 1.00 0.00 C ATOM 1525 CZ TYR A1008 7.383 26.397 9.438 1.00 0.00 C ATOM 1526 OH TYR A1008 7.928 26.813 10.632 1.00 0.00 O ATOM 0 H TYR A1008 4.165 22.683 6.063 1.00 0.00 H new ATOM 0 HA TYR A1008 3.696 25.575 6.382 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.202 24.221 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.798 25.880 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A1008 5.807 27.621 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.885 23.604 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A1008 6.784 28.364 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.856 24.341 9.768 1.00 0.00 H new ATOM 0 HH TYR A1008 8.293 26.040 11.112 1.00 0.00 H new ATOM 1536 N VAL A1009 2.274 24.168 4.414 1.00 0.00 N ATOM 1537 CA VAL A1009 1.445 24.183 3.198 1.00 0.00 C ATOM 1538 C VAL A1009 1.439 25.575 2.591 1.00 0.00 C ATOM 1539 O VAL A1009 1.197 25.750 1.396 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.027 23.743 3.460 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.687 24.627 4.509 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.819 23.782 2.165 1.00 0.00 C ATOM 0 H VAL A1009 1.815 23.742 5.219 1.00 0.00 H new ATOM 0 HA VAL A1009 1.890 23.462 2.512 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.015 22.722 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.713 24.296 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.132 24.558 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.690 25.661 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.846 23.473 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.814 24.796 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.366 23.105 1.441 1.00 0.00 H new ATOM 1552 N MET A1010 1.723 26.551 3.440 1.00 0.00 N ATOM 1553 CA MET A1010 1.889 27.935 3.017 1.00 0.00 C ATOM 1554 C MET A1010 2.707 28.018 1.727 1.00 0.00 C ATOM 1555 O MET A1010 2.322 28.727 0.799 1.00 0.00 O ATOM 1556 CB MET A1010 2.562 28.748 4.126 1.00 0.00 C ATOM 1557 CG MET A1010 1.849 28.641 5.463 1.00 0.00 C ATOM 1558 SD MET A1010 0.113 29.119 5.358 1.00 0.00 S ATOM 1559 CE MET A1010 -0.453 28.692 7.003 1.00 0.00 C ATOM 0 H MET A1010 1.845 26.407 4.442 1.00 0.00 H new ATOM 0 HA MET A1010 0.902 28.354 2.820 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.591 28.409 4.242 1.00 0.00 H new ATOM 0 HB3 MET A1010 2.603 29.795 3.826 1.00 0.00 H new ATOM 0 HG2 MET A1010 1.919 27.616 5.828 1.00 0.00 H new ATOM 0 HG3 MET A1010 2.354 29.274 6.192 1.00 0.00 H new ATOM 0 HE1 MET A1010 -1.513 28.929 7.096 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.303 27.626 7.174 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.112 29.261 7.741 1.00 0.00 H new ATOM 1569 N THR A1011 3.824 27.279 1.655 1.00 0.00 N ATOM 1570 CA THR A1011 4.632 27.248 0.429 1.00 0.00 C ATOM 1571 C THR A1011 5.595 26.047 0.380 1.00 0.00 C ATOM 1572 O THR A1011 5.281 24.984 -0.193 1.00 0.00 O ATOM 1573 CB THR A1011 5.477 28.538 0.252 1.00 0.00 C ATOM 1574 OG1 THR A1011 4.675 29.709 0.448 1.00 0.00 O ATOM 1575 CG2 THR A1011 6.097 28.588 -1.137 1.00 0.00 C ATOM 0 H THR A1011 4.183 26.704 2.417 1.00 0.00 H new ATOM 0 HA THR A1011 3.905 27.163 -0.379 1.00 0.00 H new ATOM 0 HB THR A1011 6.267 28.516 1.003 1.00 0.00 H new ATOM 0 HG1 THR A1011 3.739 29.502 0.244 1.00 0.00 H new ATOM 0 HG21 THR A1011 6.685 29.500 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A1011 6.743 27.722 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A1011 5.307 28.578 -1.888 1.00 0.00 H new ATOM 1583 N SER A1012 6.756 26.233 1.015 1.00 0.00 N ATOM 1584 CA SER A1012 7.918 25.368 0.823 1.00 0.00 C ATOM 1585 C SER A1012 7.611 23.898 1.084 1.00 0.00 C ATOM 1586 O SER A1012 7.539 23.102 0.144 1.00 0.00 O ATOM 1587 CB SER A1012 9.061 25.840 1.725 1.00 0.00 C ATOM 1588 OG SER A1012 9.297 27.226 1.545 1.00 0.00 O ATOM 0 H SER A1012 6.914 26.991 1.679 1.00 0.00 H new ATOM 0 HA SER A1012 8.211 25.443 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A1012 8.815 25.640 2.768 1.00 0.00 H new ATOM 0 HB3 SER A1012 9.967 25.278 1.497 1.00 0.00 H new ATOM 0 HG SER A1012 10.029 27.512 2.130 1.00 0.00 H new ATOM 1594 N LEU A1013 7.451 23.537 2.352 1.00 0.00 N ATOM 1595 CA LEU A1013 7.201 22.161 2.742 1.00 0.00 C ATOM 1596 C LEU A1013 6.122 21.483 1.934 1.00 0.00 C ATOM 1597 O LEU A1013 6.299 20.339 1.534 1.00 0.00 O ATOM 1598 CB LEU A1013 6.823 22.099 4.214 1.00 0.00 C ATOM 1599 CG LEU A1013 8.009 21.849 5.160 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.056 22.941 5.013 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.564 21.753 6.608 1.00 0.00 C ATOM 0 H LEU A1013 7.491 24.190 3.134 1.00 0.00 H new ATOM 0 HA LEU A1013 8.130 21.624 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.341 23.036 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.087 21.308 4.355 1.00 0.00 H new ATOM 0 HG LEU A1013 8.448 20.892 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A1013 9.886 22.743 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A1013 9.423 22.958 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A1013 8.611 23.906 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.431 21.576 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.082 22.685 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.859 20.929 6.718 1.00 0.00 H new ATOM 1613 N GLN A1014 5.027 22.176 1.674 1.00 0.00 N ATOM 1614 CA GLN A1014 3.867 21.520 1.108 1.00 0.00 C ATOM 1615 C GLN A1014 4.221 20.803 -0.187 1.00 0.00 C ATOM 1616 O GLN A1014 3.847 19.659 -0.398 1.00 0.00 O ATOM 1617 CB GLN A1014 2.741 22.514 0.879 1.00 0.00 C ATOM 1618 CG GLN A1014 1.670 21.989 -0.051 1.00 0.00 C ATOM 1619 CD GLN A1014 1.568 22.802 -1.329 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.499 22.920 -1.924 1.00 0.00 O ATOM 1621 NE2 GLN A1014 2.691 23.361 -1.767 1.00 0.00 N ATOM 0 H GLN A1014 4.919 23.176 1.843 1.00 0.00 H new ATOM 0 HA GLN A1014 3.524 20.774 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.289 22.770 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.154 23.434 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.886 20.950 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.708 22.001 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.559 23.240 -1.244 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.686 23.911 -2.626 1.00 0.00 H new ATOM 1630 N GLN A1015 4.963 21.487 -1.053 1.00 0.00 N ATOM 1631 CA GLN A1015 5.292 20.924 -2.360 1.00 0.00 C ATOM 1632 C GLN A1015 6.378 19.844 -2.268 1.00 0.00 C ATOM 1633 O GLN A1015 6.277 18.808 -2.917 1.00 0.00 O ATOM 1634 CB GLN A1015 5.712 22.035 -3.328 1.00 0.00 C ATOM 1635 CG GLN A1015 6.945 22.803 -2.881 1.00 0.00 C ATOM 1636 CD GLN A1015 7.216 24.025 -3.731 1.00 0.00 C ATOM 1637 OE1 GLN A1015 7.917 23.949 -4.738 1.00 0.00 O ATOM 1638 NE2 GLN A1015 6.666 25.158 -3.323 1.00 0.00 N ATOM 0 H GLN A1015 5.343 22.417 -0.879 1.00 0.00 H new ATOM 0 HA GLN A1015 4.393 20.441 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.903 21.597 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.883 22.733 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.820 23.109 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.811 22.142 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A1015 6.091 25.172 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A1015 6.817 26.017 -3.851 1.00 0.00 H new ATOM 1647 N GLU A1016 7.393 20.072 -1.447 1.00 0.00 N ATOM 1648 CA GLU A1016 8.503 19.128 -1.311 1.00 0.00 C ATOM 1649 C GLU A1016 8.065 17.883 -0.553 1.00 0.00 C ATOM 1650 O GLU A1016 8.168 16.760 -1.051 1.00 0.00 O ATOM 1651 CB GLU A1016 9.665 19.796 -0.575 1.00 0.00 C ATOM 1652 CG GLU A1016 10.736 18.823 -0.109 1.00 0.00 C ATOM 1653 CD GLU A1016 11.881 19.517 0.591 1.00 0.00 C ATOM 1654 OE1 GLU A1016 11.731 19.866 1.778 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.938 19.716 -0.043 1.00 0.00 O ATOM 0 H GLU A1016 7.475 20.903 -0.862 1.00 0.00 H new ATOM 0 HA GLU A1016 8.825 18.831 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.121 20.537 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.275 20.333 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.290 18.093 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.120 18.271 -0.967 1.00 0.00 H new ATOM 1662 N TYR A1017 7.556 18.106 0.640 1.00 0.00 N ATOM 1663 CA TYR A1017 7.121 17.051 1.525 1.00 0.00 C ATOM 1664 C TYR A1017 6.057 16.165 0.919 1.00 0.00 C ATOM 1665 O TYR A1017 6.049 14.961 1.124 1.00 0.00 O ATOM 1666 CB TYR A1017 6.597 17.696 2.793 1.00 0.00 C ATOM 1667 CG TYR A1017 7.726 17.805 3.795 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.019 16.748 4.648 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.540 18.927 3.845 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.082 16.811 5.528 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.601 19.001 4.728 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.870 17.940 5.566 1.00 0.00 C ATOM 1673 OH TYR A1017 10.936 18.001 6.436 1.00 0.00 O ATOM 0 H TYR A1017 7.432 19.042 1.027 1.00 0.00 H new ATOM 0 HA TYR A1017 7.973 16.402 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.193 18.684 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.782 17.103 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.404 15.860 4.623 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.342 19.757 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.294 15.979 6.183 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.217 19.887 4.761 1.00 0.00 H new ATOM 0 HH TYR A1017 11.390 18.864 6.337 1.00 0.00 H new ATOM 1683 N LYS A1018 5.138 16.797 0.181 1.00 0.00 N ATOM 1684 CA LYS A1018 4.007 16.105 -0.411 1.00 0.00 C ATOM 1685 C LYS A1018 4.382 15.422 -1.717 1.00 0.00 C ATOM 1686 O LYS A1018 3.733 14.470 -2.134 1.00 0.00 O ATOM 1687 CB LYS A1018 2.834 17.046 -0.634 1.00 0.00 C ATOM 1688 CG LYS A1018 1.533 16.310 -0.882 1.00 0.00 C ATOM 1689 CD LYS A1018 0.403 16.907 -0.070 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.103 18.185 -0.698 1.00 0.00 C ATOM 1691 NZ LYS A1018 -0.908 17.915 -1.911 1.00 0.00 N ATOM 0 H LYS A1018 5.164 17.797 -0.017 1.00 0.00 H new ATOM 0 HA LYS A1018 3.705 15.336 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.721 17.692 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.049 17.693 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A1018 1.284 16.353 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.653 15.258 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -0.413 16.188 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.747 17.108 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.707 18.732 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A1018 0.742 18.824 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.614 18.669 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -0.284 17.886 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.393 17.000 -1.810 1.00 0.00 H new ATOM 1705 N LYS A1019 5.414 15.910 -2.383 1.00 0.00 N ATOM 1706 CA LYS A1019 5.928 15.197 -3.541 1.00 0.00 C ATOM 1707 C LYS A1019 6.626 13.950 -3.042 1.00 0.00 C ATOM 1708 O LYS A1019 6.410 12.855 -3.539 1.00 0.00 O ATOM 1709 CB LYS A1019 6.867 16.075 -4.369 1.00 0.00 C ATOM 1710 CG LYS A1019 6.203 16.702 -5.586 1.00 0.00 C ATOM 1711 CD LYS A1019 4.869 17.347 -5.239 1.00 0.00 C ATOM 1712 CE LYS A1019 4.334 18.173 -6.398 1.00 0.00 C ATOM 1713 NZ LYS A1019 4.067 17.352 -7.610 1.00 0.00 N ATOM 0 H LYS A1019 5.903 16.775 -2.151 1.00 0.00 H new ATOM 0 HA LYS A1019 5.108 14.923 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A1019 7.264 16.867 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.716 15.475 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.867 17.452 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A1019 6.049 15.939 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.147 16.574 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.988 17.983 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.414 18.671 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A1019 5.052 18.955 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.641 17.949 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.960 16.952 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.413 16.580 -7.369 1.00 0.00 H new ATOM 1727 N GLN A1020 7.433 14.139 -2.024 1.00 0.00 N ATOM 1728 CA GLN A1020 7.942 13.060 -1.204 1.00 0.00 C ATOM 1729 C GLN A1020 6.791 12.229 -0.610 1.00 0.00 C ATOM 1730 O GLN A1020 6.933 11.022 -0.433 1.00 0.00 O ATOM 1731 CB GLN A1020 8.820 13.682 -0.115 1.00 0.00 C ATOM 1732 CG GLN A1020 9.348 12.713 0.920 1.00 0.00 C ATOM 1733 CD GLN A1020 10.465 13.315 1.749 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.326 12.602 2.263 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.471 14.637 1.864 1.00 0.00 N ATOM 0 H GLN A1020 7.761 15.061 -1.736 1.00 0.00 H new ATOM 0 HA GLN A1020 8.536 12.370 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.667 14.176 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.245 14.455 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.534 12.407 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.711 11.814 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.737 15.191 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A1020 11.209 15.099 2.395 1.00 0.00 H new ATOM 1744 N MET A1021 5.651 12.857 -0.330 1.00 0.00 N ATOM 1745 CA MET A1021 4.480 12.127 0.157 1.00 0.00 C ATOM 1746 C MET A1021 3.905 11.251 -0.929 1.00 0.00 C ATOM 1747 O MET A1021 3.774 10.053 -0.740 1.00 0.00 O ATOM 1748 CB MET A1021 3.388 13.090 0.646 1.00 0.00 C ATOM 1749 CG MET A1021 2.155 12.409 1.227 1.00 0.00 C ATOM 1750 SD MET A1021 1.022 11.745 -0.020 1.00 0.00 S ATOM 1751 CE MET A1021 0.222 13.230 -0.622 1.00 0.00 C ATOM 0 H MET A1021 5.512 13.862 -0.431 1.00 0.00 H new ATOM 0 HA MET A1021 4.811 11.508 0.991 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.815 13.747 1.404 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.079 13.722 -0.187 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.475 11.598 1.881 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.616 13.125 1.848 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.790 12.991 -0.949 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.180 13.970 0.177 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.788 13.634 -1.461 1.00 0.00 H new ATOM 1761 N LEU A1022 3.607 11.826 -2.087 1.00 0.00 N ATOM 1762 CA LEU A1022 2.881 11.076 -3.088 1.00 0.00 C ATOM 1763 C LEU A1022 3.836 10.160 -3.838 1.00 0.00 C ATOM 1764 O LEU A1022 3.417 9.341 -4.637 1.00 0.00 O ATOM 1765 CB LEU A1022 2.111 11.999 -4.047 1.00 0.00 C ATOM 1766 CG LEU A1022 2.714 12.155 -5.446 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.683 12.751 -6.389 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.950 13.042 -5.417 1.00 0.00 C ATOM 0 H LEU A1022 3.851 12.782 -2.347 1.00 0.00 H new ATOM 0 HA LEU A1022 2.134 10.463 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.095 11.619 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.038 12.986 -3.591 1.00 0.00 H new ATOM 0 HG LEU A1022 3.008 11.167 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.118 12.859 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.816 12.093 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.374 13.729 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.356 13.134 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.680 14.030 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.701 12.599 -4.763 1.00 0.00 H new ATOM 1780 N THR A1023 5.132 10.332 -3.585 1.00 0.00 N ATOM 1781 CA THR A1023 6.144 9.430 -4.112 1.00 0.00 C ATOM 1782 C THR A1023 6.361 8.276 -3.140 1.00 0.00 C ATOM 1783 O THR A1023 6.672 7.167 -3.553 1.00 0.00 O ATOM 1784 CB THR A1023 7.483 10.156 -4.382 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.273 11.227 -5.310 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.525 9.205 -4.951 1.00 0.00 C ATOM 0 H THR A1023 5.503 11.092 -3.015 1.00 0.00 H new ATOM 0 HA THR A1023 5.783 9.046 -5.066 1.00 0.00 H new ATOM 0 HB THR A1023 7.850 10.545 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A1023 6.818 11.968 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.454 9.747 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A1023 8.707 8.398 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.162 8.788 -5.891 1.00 0.00 H new ATOM 1794 N ALA A1024 6.189 8.542 -1.845 1.00 0.00 N ATOM 1795 CA ALA A1024 6.188 7.487 -0.839 1.00 0.00 C ATOM 1796 C ALA A1024 4.835 6.795 -0.833 1.00 0.00 C ATOM 1797 O ALA A1024 4.703 5.661 -0.405 1.00 0.00 O ATOM 1798 CB ALA A1024 6.518 8.042 0.540 1.00 0.00 C ATOM 0 H ALA A1024 6.049 9.480 -1.471 1.00 0.00 H new ATOM 0 HA ALA A1024 6.961 6.760 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.510 7.232 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.506 8.503 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.775 8.789 0.819 1.00 0.00 H new ATOM 1804 N ALA A1025 3.827 7.519 -1.281 1.00 0.00 N ATOM 1805 CA ALA A1025 2.511 6.962 -1.533 1.00 0.00 C ATOM 1806 C ALA A1025 2.445 6.382 -2.942 1.00 0.00 C ATOM 1807 O ALA A1025 1.623 5.518 -3.213 1.00 0.00 O ATOM 1808 CB ALA A1025 1.420 7.984 -1.283 1.00 0.00 C ATOM 0 H ALA A1025 3.898 8.517 -1.482 1.00 0.00 H new ATOM 0 HA ALA A1025 2.338 6.147 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.447 7.534 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.462 8.315 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.565 8.840 -1.943 1.00 0.00 H new ATOM 1814 N HIS A1026 3.279 6.867 -3.850 1.00 0.00 N ATOM 1815 CA HIS A1026 3.509 6.146 -5.104 1.00 0.00 C ATOM 1816 C HIS A1026 4.388 4.938 -4.828 1.00 0.00 C ATOM 1817 O HIS A1026 4.325 3.954 -5.537 1.00 0.00 O ATOM 1818 CB HIS A1026 4.131 7.032 -6.188 1.00 0.00 C ATOM 1819 CG HIS A1026 4.275 6.353 -7.519 1.00 0.00 C ATOM 1820 ND1 HIS A1026 5.491 5.968 -8.040 1.00 0.00 N ATOM 1821 CD2 HIS A1026 3.346 5.996 -8.437 1.00 0.00 C ATOM 1822 CE1 HIS A1026 5.306 5.407 -9.222 1.00 0.00 C ATOM 1823 NE2 HIS A1026 4.013 5.412 -9.484 1.00 0.00 N ATOM 0 H HIS A1026 3.801 7.738 -3.751 1.00 0.00 H new ATOM 0 HA HIS A1026 2.542 5.824 -5.490 1.00 0.00 H new ATOM 0 HB2 HIS A1026 3.517 7.924 -6.311 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.113 7.365 -5.852 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.279 6.143 -8.359 1.00 0.00 H new ATOM 0 HE1 HIS A1026 6.080 5.012 -9.863 1.00 0.00 H new ATOM 0 HE2 HIS A1026 3.579 5.041 -10.329 1.00 0.00 H new ATOM 1832 N ALA A1027 5.193 5.035 -3.787 1.00 0.00 N ATOM 1833 CA ALA A1027 5.849 3.884 -3.156 1.00 0.00 C ATOM 1834 C ALA A1027 4.824 3.021 -2.455 1.00 0.00 C ATOM 1835 O ALA A1027 4.904 1.803 -2.532 1.00 0.00 O ATOM 1836 CB ALA A1027 6.898 4.356 -2.160 1.00 0.00 C ATOM 0 H ALA A1027 5.419 5.925 -3.342 1.00 0.00 H new ATOM 0 HA ALA A1027 6.339 3.294 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.377 3.492 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.648 4.954 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.421 4.961 -1.389 1.00 0.00 H new ATOM 1842 N LEU A1028 3.861 3.617 -1.786 1.00 0.00 N ATOM 1843 CA LEU A1028 2.738 2.846 -1.291 1.00 0.00 C ATOM 1844 C LEU A1028 2.024 2.184 -2.459 1.00 0.00 C ATOM 1845 O LEU A1028 1.699 1.013 -2.393 1.00 0.00 O ATOM 1846 CB LEU A1028 1.774 3.709 -0.480 1.00 0.00 C ATOM 1847 CG LEU A1028 2.318 4.201 0.858 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.195 4.803 1.680 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.969 3.048 1.597 1.00 0.00 C ATOM 0 H LEU A1028 3.830 4.614 -1.574 1.00 0.00 H new ATOM 0 HA LEU A1028 3.117 2.077 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.492 4.574 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A1028 0.864 3.137 -0.297 1.00 0.00 H new ATOM 0 HG LEU A1028 3.069 4.972 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.589 5.152 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.758 5.642 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.430 4.048 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.357 3.401 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.231 2.265 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.787 2.648 0.998 1.00 0.00 H new ATOM 1861 N ALA A1029 1.803 2.933 -3.527 1.00 0.00 N ATOM 1862 CA ALA A1029 1.263 2.373 -4.759 1.00 0.00 C ATOM 1863 C ALA A1029 2.157 1.261 -5.304 1.00 0.00 C ATOM 1864 O ALA A1029 1.670 0.211 -5.726 1.00 0.00 O ATOM 1865 CB ALA A1029 1.095 3.469 -5.803 1.00 0.00 C ATOM 0 H ALA A1029 1.990 3.935 -3.567 1.00 0.00 H new ATOM 0 HA ALA A1029 0.289 1.940 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A1029 0.691 3.039 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.411 4.229 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.063 3.924 -6.012 1.00 0.00 H new ATOM 1871 N VAL A1030 3.466 1.491 -5.282 1.00 0.00 N ATOM 1872 CA VAL A1030 4.417 0.537 -5.829 1.00 0.00 C ATOM 1873 C VAL A1030 4.448 -0.732 -4.993 1.00 0.00 C ATOM 1874 O VAL A1030 4.337 -1.838 -5.513 1.00 0.00 O ATOM 1875 CB VAL A1030 5.846 1.137 -5.896 1.00 0.00 C ATOM 1876 CG1 VAL A1030 6.898 0.041 -6.018 1.00 0.00 C ATOM 1877 CG2 VAL A1030 5.965 2.091 -7.074 1.00 0.00 C ATOM 0 H VAL A1030 3.890 2.332 -4.890 1.00 0.00 H new ATOM 0 HA VAL A1030 4.088 0.299 -6.840 1.00 0.00 H new ATOM 0 HB VAL A1030 6.020 1.683 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A1030 7.889 0.492 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A1030 6.838 -0.619 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A1030 6.720 -0.535 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A1030 6.973 2.504 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A1030 5.762 1.553 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.245 2.901 -6.960 1.00 0.00 H new ATOM 1887 N ASP A1031 4.601 -0.546 -3.688 1.00 0.00 N ATOM 1888 CA ASP A1031 4.737 -1.655 -2.761 1.00 0.00 C ATOM 1889 C ASP A1031 3.407 -2.341 -2.514 1.00 0.00 C ATOM 1890 O ASP A1031 3.376 -3.513 -2.200 1.00 0.00 O ATOM 1891 CB ASP A1031 5.387 -1.213 -1.452 1.00 0.00 C ATOM 1892 CG ASP A1031 6.876 -0.989 -1.623 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.546 -1.865 -2.213 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.388 0.056 -1.173 1.00 0.00 O ATOM 0 H ASP A1031 4.634 0.373 -3.247 1.00 0.00 H new ATOM 0 HA ASP A1031 5.399 -2.386 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.917 -0.294 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.217 -1.969 -0.686 1.00 0.00 H new ATOM 1899 N ALA A1032 2.310 -1.605 -2.619 1.00 0.00 N ATOM 1900 CA ALA A1032 0.984 -2.216 -2.643 1.00 0.00 C ATOM 1901 C ALA A1032 0.840 -3.080 -3.886 1.00 0.00 C ATOM 1902 O ALA A1032 0.301 -4.185 -3.808 1.00 0.00 O ATOM 1903 CB ALA A1032 -0.123 -1.179 -2.579 1.00 0.00 C ATOM 0 H ALA A1032 2.309 -0.587 -2.689 1.00 0.00 H new ATOM 0 HA ALA A1032 0.885 -2.840 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -1.091 -1.679 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.031 -0.605 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -0.043 -0.508 -3.434 1.00 0.00 H new ATOM 1909 N LYS A1033 1.360 -2.620 -5.012 1.00 0.00 N ATOM 1910 CA LYS A1033 1.421 -3.454 -6.200 1.00 0.00 C ATOM 1911 C LYS A1033 2.317 -4.658 -5.924 1.00 0.00 C ATOM 1912 O LYS A1033 1.999 -5.797 -6.254 1.00 0.00 O ATOM 1913 CB LYS A1033 2.019 -2.673 -7.370 1.00 0.00 C ATOM 1914 CG LYS A1033 1.933 -3.419 -8.693 1.00 0.00 C ATOM 1915 CD LYS A1033 3.188 -3.217 -9.532 1.00 0.00 C ATOM 1916 CE LYS A1033 4.408 -3.825 -8.851 1.00 0.00 C ATOM 1917 NZ LYS A1033 5.642 -3.695 -9.670 1.00 0.00 N ATOM 0 H LYS A1033 1.743 -1.682 -5.128 1.00 0.00 H new ATOM 0 HA LYS A1033 0.410 -3.774 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.501 -1.718 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.064 -2.449 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A1033 1.789 -4.483 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.062 -3.074 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.051 -3.673 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.352 -2.152 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A1033 4.562 -3.339 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A1033 4.219 -4.879 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 6.442 -4.124 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 5.508 -4.181 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 5.840 -2.689 -9.842 1.00 0.00 H new ATOM 1931 N ASN A1034 3.443 -4.358 -5.285 1.00 0.00 N ATOM 1932 CA ASN A1034 4.526 -5.307 -5.075 1.00 0.00 C ATOM 1933 C ASN A1034 4.184 -6.358 -4.026 1.00 0.00 C ATOM 1934 O ASN A1034 4.318 -7.544 -4.279 1.00 0.00 O ATOM 1935 CB ASN A1034 5.784 -4.550 -4.643 1.00 0.00 C ATOM 1936 CG ASN A1034 6.994 -5.447 -4.458 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.159 -6.447 -5.157 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.848 -5.095 -3.508 1.00 0.00 N ATOM 0 H ASN A1034 3.630 -3.435 -4.893 1.00 0.00 H new ATOM 0 HA ASN A1034 4.693 -5.828 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.015 -3.790 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.582 -4.028 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.679 -5.660 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A1034 7.675 -4.259 -2.951 1.00 0.00 H new ATOM 1945 N LEU A1035 3.758 -5.924 -2.848 1.00 0.00 N ATOM 1946 CA LEU A1035 3.545 -6.836 -1.739 1.00 0.00 C ATOM 1947 C LEU A1035 2.421 -7.827 -2.059 1.00 0.00 C ATOM 1948 O LEU A1035 2.500 -8.982 -1.651 1.00 0.00 O ATOM 1949 CB LEU A1035 3.360 -6.071 -0.393 1.00 0.00 C ATOM 1950 CG LEU A1035 1.938 -5.744 0.129 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.077 -5.058 -0.911 1.00 0.00 C ATOM 1952 CD2 LEU A1035 1.243 -6.981 0.678 1.00 0.00 C ATOM 0 H LEU A1035 3.554 -4.947 -2.638 1.00 0.00 H new ATOM 0 HA LEU A1035 4.443 -7.437 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.862 -6.652 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.897 -5.126 -0.482 1.00 0.00 H new ATOM 0 HG LEU A1035 2.071 -5.038 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.093 -4.853 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.546 -4.121 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.972 -5.706 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A1035 0.249 -6.712 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.156 -7.729 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A1035 1.826 -7.390 1.503 1.00 0.00 H new ATOM 1964 N LEU A1036 1.377 -7.416 -2.793 1.00 0.00 N ATOM 1965 CA LEU A1036 0.366 -8.416 -3.120 1.00 0.00 C ATOM 1966 C LEU A1036 0.916 -9.379 -4.179 1.00 0.00 C ATOM 1967 O LEU A1036 0.648 -10.578 -4.151 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.983 -7.786 -3.525 1.00 0.00 C ATOM 1969 CG LEU A1036 -0.987 -6.918 -4.793 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.130 -7.769 -6.050 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.106 -5.889 -4.727 1.00 0.00 C ATOM 0 H LEU A1036 1.219 -6.472 -3.146 1.00 0.00 H new ATOM 0 HA LEU A1036 0.147 -8.991 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.707 -8.590 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.337 -7.176 -2.694 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.029 -6.400 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.129 -7.124 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.296 -8.468 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.067 -8.324 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -2.096 -5.282 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.065 -6.400 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.960 -5.247 -3.858 1.00 0.00 H new ATOM 1983 N ASP A1037 1.708 -8.815 -5.101 1.00 0.00 N ATOM 1984 CA ASP A1037 2.460 -9.578 -6.106 1.00 0.00 C ATOM 1985 C ASP A1037 3.339 -10.619 -5.423 1.00 0.00 C ATOM 1986 O ASP A1037 3.462 -11.766 -5.858 1.00 0.00 O ATOM 1987 CB ASP A1037 3.347 -8.615 -6.904 1.00 0.00 C ATOM 1988 CG ASP A1037 4.282 -9.321 -7.864 1.00 0.00 C ATOM 1989 OD1 ASP A1037 3.802 -10.061 -8.747 1.00 0.00 O ATOM 1990 OD2 ASP A1037 5.511 -9.133 -7.742 1.00 0.00 O ATOM 0 H ASP A1037 1.846 -7.807 -5.171 1.00 0.00 H new ATOM 0 HA ASP A1037 1.760 -10.083 -6.772 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.713 -7.927 -7.464 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.935 -8.014 -6.211 1.00 0.00 H new ATOM 1995 N VAL A1038 3.972 -10.152 -4.355 1.00 0.00 N ATOM 1996 CA VAL A1038 4.750 -10.975 -3.444 1.00 0.00 C ATOM 1997 C VAL A1038 3.941 -12.170 -2.962 1.00 0.00 C ATOM 1998 O VAL A1038 4.341 -13.299 -3.190 1.00 0.00 O ATOM 1999 CB VAL A1038 5.251 -10.127 -2.246 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.669 -10.996 -1.073 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.411 -9.245 -2.668 1.00 0.00 C ATOM 0 H VAL A1038 3.957 -9.166 -4.094 1.00 0.00 H new ATOM 0 HA VAL A1038 5.617 -11.357 -3.983 1.00 0.00 H new ATOM 0 HB VAL A1038 4.418 -9.502 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A1038 6.013 -10.363 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.818 -11.590 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.476 -11.660 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.750 -8.657 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A1038 7.230 -9.868 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A1038 6.088 -8.575 -3.465 1.00 0.00 H new ATOM 2011 N ILE A1039 2.800 -11.940 -2.337 1.00 0.00 N ATOM 2012 CA ILE A1039 1.976 -13.045 -1.865 1.00 0.00 C ATOM 2013 C ILE A1039 1.390 -13.841 -3.022 1.00 0.00 C ATOM 2014 O ILE A1039 1.094 -15.027 -2.868 1.00 0.00 O ATOM 2015 CB ILE A1039 0.879 -12.574 -0.885 1.00 0.00 C ATOM 2016 CG1 ILE A1039 1.510 -12.292 0.465 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.238 -13.594 -0.731 1.00 0.00 C ATOM 2018 CD1 ILE A1039 2.188 -10.951 0.568 1.00 0.00 C ATOM 0 H ILE A1039 2.424 -11.012 -2.145 1.00 0.00 H new ATOM 0 HA ILE A1039 2.632 -13.714 -1.308 1.00 0.00 H new ATOM 0 HB ILE A1039 0.430 -11.669 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.739 -12.355 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A1039 2.240 -13.072 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -0.983 -13.215 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -0.706 -13.770 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A1039 0.173 -14.529 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.611 -10.833 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.984 -10.888 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.460 -10.160 0.387 1.00 0.00 H new ATOM 2030 N ASP A1040 1.267 -13.221 -4.174 1.00 0.00 N ATOM 2031 CA ASP A1040 0.886 -13.940 -5.379 1.00 0.00 C ATOM 2032 C ASP A1040 1.936 -14.993 -5.721 1.00 0.00 C ATOM 2033 O ASP A1040 1.627 -16.166 -5.953 1.00 0.00 O ATOM 2034 CB ASP A1040 0.718 -12.971 -6.540 1.00 0.00 C ATOM 2035 CG ASP A1040 -0.527 -13.257 -7.341 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -1.187 -14.272 -7.060 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -0.831 -12.485 -8.275 1.00 0.00 O ATOM 0 H ASP A1040 1.424 -12.222 -4.307 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.066 -14.440 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.676 -11.951 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A1040 1.590 -13.032 -7.191 1.00 0.00 H new ATOM 2042 N GLN A1041 3.182 -14.589 -5.726 1.00 0.00 N ATOM 2043 CA GLN A1041 4.258 -15.523 -5.956 1.00 0.00 C ATOM 2044 C GLN A1041 4.442 -16.409 -4.741 1.00 0.00 C ATOM 2045 O GLN A1041 4.695 -17.591 -4.872 1.00 0.00 O ATOM 2046 CB GLN A1041 5.536 -14.772 -6.272 1.00 0.00 C ATOM 2047 CG GLN A1041 5.590 -14.270 -7.698 1.00 0.00 C ATOM 2048 CD GLN A1041 6.495 -13.077 -7.844 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.687 -13.203 -8.124 1.00 0.00 O ATOM 2050 NE2 GLN A1041 5.926 -11.910 -7.631 1.00 0.00 N ATOM 0 H GLN A1041 3.476 -13.624 -5.574 1.00 0.00 H new ATOM 0 HA GLN A1041 4.010 -16.155 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A1041 5.632 -13.926 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A1041 6.389 -15.425 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.938 -15.071 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.585 -14.005 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A1041 4.933 -11.861 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN A1041 6.478 -11.054 -7.695 1.00 0.00 H new ATOM 2059 N ALA A1042 4.253 -15.828 -3.568 1.00 0.00 N ATOM 2060 CA ALA A1042 4.396 -16.522 -2.296 1.00 0.00 C ATOM 2061 C ALA A1042 3.571 -17.791 -2.232 1.00 0.00 C ATOM 2062 O ALA A1042 4.068 -18.839 -1.826 1.00 0.00 O ATOM 2063 CB ALA A1042 3.947 -15.602 -1.180 1.00 0.00 C ATOM 0 H ALA A1042 3.992 -14.847 -3.470 1.00 0.00 H new ATOM 0 HA ALA A1042 5.445 -16.797 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A1042 4.051 -16.113 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A1042 4.563 -14.703 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A1042 2.904 -15.327 -1.333 1.00 0.00 H new ATOM 2069 N ARG A1043 2.307 -17.690 -2.598 1.00 0.00 N ATOM 2070 CA ARG A1043 1.432 -18.846 -2.586 1.00 0.00 C ATOM 2071 C ARG A1043 1.955 -19.916 -3.535 1.00 0.00 C ATOM 2072 O ARG A1043 2.147 -21.057 -3.130 1.00 0.00 O ATOM 2073 CB ARG A1043 0.011 -18.444 -2.964 1.00 0.00 C ATOM 2074 CG ARG A1043 -0.014 -17.416 -4.068 1.00 0.00 C ATOM 2075 CD ARG A1043 -1.379 -16.749 -4.201 1.00 0.00 C ATOM 2076 NE ARG A1043 -1.727 -15.940 -3.031 1.00 0.00 N ATOM 2077 CZ ARG A1043 -2.979 -15.605 -2.705 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -3.998 -16.024 -3.451 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -3.212 -14.841 -1.640 1.00 0.00 N ATOM 0 H ARG A1043 1.865 -16.824 -2.906 1.00 0.00 H new ATOM 0 HA ARG A1043 1.415 -19.257 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -0.543 -19.328 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -0.498 -18.045 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A1043 0.743 -16.656 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A1043 0.250 -17.892 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -1.386 -16.118 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.141 -17.515 -4.348 1.00 0.00 H new ATOM 0 HE ARG A1043 -0.970 -15.613 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -3.824 -16.602 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -4.953 -15.767 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -2.434 -14.509 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.169 -14.587 -1.394 1.00 0.00 H new ATOM 2093 N LEU A1044 2.226 -19.525 -4.783 1.00 0.00 N ATOM 2094 CA LEU A1044 2.742 -20.456 -5.788 1.00 0.00 C ATOM 2095 C LEU A1044 4.088 -21.016 -5.333 1.00 0.00 C ATOM 2096 O LEU A1044 4.367 -22.207 -5.481 1.00 0.00 O ATOM 2097 CB LEU A1044 2.876 -19.736 -7.142 1.00 0.00 C ATOM 2098 CG LEU A1044 3.133 -20.620 -8.381 1.00 0.00 C ATOM 2099 CD1 LEU A1044 4.587 -21.063 -8.463 1.00 0.00 C ATOM 2100 CD2 LEU A1044 2.213 -21.832 -8.379 1.00 0.00 C ATOM 0 H LEU A1044 2.097 -18.571 -5.121 1.00 0.00 H new ATOM 0 HA LEU A1044 2.047 -21.287 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.963 -19.167 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A1044 3.691 -19.016 -7.064 1.00 0.00 H new ATOM 0 HG LEU A1044 2.917 -20.015 -9.262 1.00 0.00 H new ATOM 0 HD11 LEU A1044 4.729 -21.683 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A1044 5.231 -20.186 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A1044 4.843 -21.637 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A1044 2.411 -22.441 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.393 -22.424 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A1044 1.175 -21.501 -8.393 1.00 0.00 H new