USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 928 ASN : amide:sc= -3.8! C(o=-4!,f=-14!) USER MOD Set 1.2: A 968 THR OG1 : rot -143:sc= -0.21 USER MOD Single : A 924 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.13) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 135:sc= 0.0605 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -63:sc= 0.84 USER MOD Single : A 951 TYR OH : rot 120:sc= -0.0178 USER MOD Single : A 954 MET CE :methyl -148:sc= -3.82! (180deg=-5.5!) USER MOD Single : A 956 LYS NZ :NH3+ 170:sc=-0.00822 (180deg=-0.099) USER MOD Single : A 964 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 972 SER OG : rot 65:sc= 1.25 USER MOD Single : A 980 THR OG1 : rot 36:sc= 0.24 USER MOD Single : A 981 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD Single : A 986 MET CE :methyl 135:sc= -0.0979 (180deg=-0.623) USER MOD Single : A 988 GLN :FLIP amide:sc= -0.625 F(o=-4.6!,f=-0.63) USER MOD Single : A 989 LYS NZ :NH3+ -166:sc= 0.617 (180deg=0.499) USER MOD Single : A 992 ASN : amide:sc= -0.479 K(o=-0.48,f=-3.3!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 1.08 K(o=1.1,f=-0.003) USER MOD Single : A1001 LYS NZ :NH3+ 152:sc= -0.331 (180deg=-1.51!) USER MOD Single : A1002 MET CE :methyl 156:sc= -9.42! (180deg=-11.8!) USER MOD Single : A1003 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0581) USER MOD Single : A1006 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.7!) USER MOD Single : A1007 GLN :FLIP amide:sc= -2.09! C(o=-3.5!,f=-2.1!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 159:sc= -0.127 (180deg=-0.663) USER MOD Single : A1011 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -0.276 F(o=-3.4!,f=-0.28) USER MOD Single : A1015 GLN :FLIP amide:sc= -0.0149 F(o=-1.1,f=-0.015) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.04) USER MOD Single : A1019 LYS NZ :NH3+ -172:sc= -0.0171 (180deg=-0.159) USER MOD Single : A1020 GLN : amide:sc= -1.29 K(o=-1.3,f=-1.9) USER MOD Single : A1021 MET CE :methyl -138:sc= -1.45 (180deg=-4.04!) USER MOD Single : A1023 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A1026 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0038) USER MOD Single : A1033 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0431) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1041 GLN : amide:sc= 0.0863 X(o=0.086,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.879 -8.893 -3.646 1.00 0.00 N ATOM 180 CA LYS A 924 -9.430 -7.866 -2.766 1.00 0.00 C ATOM 181 C LYS A 924 -8.326 -6.932 -2.296 1.00 0.00 C ATOM 182 O LYS A 924 -8.563 -5.752 -2.074 1.00 0.00 O ATOM 183 CB LYS A 924 -10.132 -8.484 -1.564 1.00 0.00 C ATOM 184 CG LYS A 924 -11.179 -9.522 -1.931 1.00 0.00 C ATOM 185 CD LYS A 924 -12.201 -8.966 -2.912 1.00 0.00 C ATOM 186 CE LYS A 924 -13.528 -8.632 -2.244 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.446 -7.416 -1.393 1.00 0.00 N ATOM 0 HA LYS A 924 -10.167 -7.299 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.386 -8.947 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.607 -7.692 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -10.691 -10.393 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.687 -9.861 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -11.798 -8.069 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -12.370 -9.693 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.290 -8.485 -3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.847 -9.477 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.402 -7.133 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -12.870 -7.620 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.008 -6.643 -1.933 1.00 0.00 H new ATOM 201 N VAL A 925 -7.114 -7.454 -2.198 1.00 0.00 N ATOM 202 CA VAL A 925 -5.949 -6.643 -1.858 1.00 0.00 C ATOM 203 C VAL A 925 -5.731 -5.536 -2.905 1.00 0.00 C ATOM 204 O VAL A 925 -5.255 -4.449 -2.594 1.00 0.00 O ATOM 205 CB VAL A 925 -4.688 -7.527 -1.734 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.916 -8.628 -0.710 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.315 -8.133 -3.080 1.00 0.00 C ATOM 0 H VAL A 925 -6.908 -8.441 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.134 -6.170 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.863 -6.898 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -4.020 -9.244 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -5.136 -8.183 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.756 -9.248 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.424 -8.751 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.139 -8.747 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.114 -7.335 -3.795 1.00 0.00 H new ATOM 217 N TYR A 926 -6.140 -5.810 -4.132 1.00 0.00 N ATOM 218 CA TYR A 926 -6.018 -4.860 -5.241 1.00 0.00 C ATOM 219 C TYR A 926 -7.023 -3.727 -5.139 1.00 0.00 C ATOM 220 O TYR A 926 -6.695 -2.612 -5.504 1.00 0.00 O ATOM 221 CB TYR A 926 -6.162 -5.568 -6.601 1.00 0.00 C ATOM 222 CG TYR A 926 -7.394 -5.153 -7.395 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.625 -5.744 -7.156 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.326 -4.160 -8.360 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.750 -5.372 -7.844 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.451 -3.773 -9.061 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.664 -4.382 -8.799 1.00 0.00 C ATOM 228 OH TYR A 926 -10.790 -4.001 -9.493 1.00 0.00 O ATOM 0 H TYR A 926 -6.568 -6.698 -4.395 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.019 -4.429 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.273 -5.366 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -6.196 -6.645 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.699 -6.519 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.380 -3.682 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.696 -5.851 -7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.384 -2.998 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.558 -3.291 -10.128 1.00 0.00 H new ATOM 238 N GLU A 927 -8.222 -3.965 -4.655 1.00 0.00 N ATOM 239 CA GLU A 927 -9.183 -2.867 -4.546 1.00 0.00 C ATOM 240 C GLU A 927 -8.847 -1.970 -3.355 1.00 0.00 C ATOM 241 O GLU A 927 -9.239 -0.804 -3.332 1.00 0.00 O ATOM 242 CB GLU A 927 -10.621 -3.341 -4.480 1.00 0.00 C ATOM 243 CG GLU A 927 -10.870 -4.120 -3.231 1.00 0.00 C ATOM 244 CD GLU A 927 -12.319 -4.498 -3.030 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.117 -3.624 -2.633 1.00 0.00 O ATOM 246 OE2 GLU A 927 -12.666 -5.673 -3.252 1.00 0.00 O ATOM 0 H GLU A 927 -8.557 -4.875 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.095 -2.284 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -11.293 -2.483 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.844 -3.959 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.267 -5.027 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.534 -3.535 -2.375 1.00 0.00 H new ATOM 253 N ASN A 928 -8.125 -2.483 -2.372 1.00 0.00 N ATOM 254 CA ASN A 928 -7.665 -1.646 -1.265 1.00 0.00 C ATOM 255 C ASN A 928 -6.563 -0.726 -1.791 1.00 0.00 C ATOM 256 O ASN A 928 -6.383 0.395 -1.326 1.00 0.00 O ATOM 257 CB ASN A 928 -7.145 -2.507 -0.109 1.00 0.00 C ATOM 258 CG ASN A 928 -7.969 -3.769 0.104 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.436 -4.798 0.502 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.271 -3.707 -0.160 1.00 0.00 N ATOM 0 H ASN A 928 -7.845 -3.462 -2.313 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.494 -1.053 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.109 -2.784 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.149 -1.917 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.857 -4.532 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.683 -2.834 -0.490 1.00 0.00 H new ATOM 267 N VAL A 929 -5.845 -1.236 -2.787 1.00 0.00 N ATOM 268 CA VAL A 929 -4.842 -0.478 -3.539 1.00 0.00 C ATOM 269 C VAL A 929 -5.533 0.377 -4.591 1.00 0.00 C ATOM 270 O VAL A 929 -5.073 1.476 -4.893 1.00 0.00 O ATOM 271 CB VAL A 929 -3.817 -1.399 -4.228 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.804 -0.589 -5.012 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.129 -2.293 -3.211 1.00 0.00 C ATOM 0 H VAL A 929 -5.943 -2.201 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.304 0.150 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.352 -2.037 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.091 -1.262 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.318 -0.004 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.273 0.082 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.409 -2.935 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.610 -1.677 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.873 -2.910 -2.707 1.00 0.00 H new ATOM 283 N THR A 930 -6.627 -0.100 -5.119 1.00 0.00 N ATOM 284 CA THR A 930 -7.503 0.729 -5.911 1.00 0.00 C ATOM 285 C THR A 930 -7.887 1.969 -5.094 1.00 0.00 C ATOM 286 O THR A 930 -7.833 3.098 -5.582 1.00 0.00 O ATOM 287 CB THR A 930 -8.739 -0.111 -6.327 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.472 -0.806 -7.553 1.00 0.00 O ATOM 289 CG2 THR A 930 -10.012 0.703 -6.462 1.00 0.00 C ATOM 0 H THR A 930 -6.937 -1.066 -5.016 1.00 0.00 H new ATOM 0 HA THR A 930 -7.011 1.073 -6.821 1.00 0.00 H new ATOM 0 HB THR A 930 -8.911 -0.821 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.780 -1.733 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.833 0.049 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 930 -10.246 1.173 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.873 1.473 -7.221 1.00 0.00 H new ATOM 297 N GLY A 931 -8.223 1.728 -3.833 1.00 0.00 N ATOM 298 CA GLY A 931 -8.521 2.808 -2.911 1.00 0.00 C ATOM 299 C GLY A 931 -7.309 3.667 -2.546 1.00 0.00 C ATOM 300 O GLY A 931 -7.351 4.890 -2.702 1.00 0.00 O ATOM 0 H GLY A 931 -8.295 0.794 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.287 3.447 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.943 2.387 -1.998 1.00 0.00 H new ATOM 304 N LEU A 932 -6.222 3.038 -2.084 1.00 0.00 N ATOM 305 CA LEU A 932 -5.046 3.786 -1.612 1.00 0.00 C ATOM 306 C LEU A 932 -4.364 4.585 -2.728 1.00 0.00 C ATOM 307 O LEU A 932 -4.082 5.771 -2.563 1.00 0.00 O ATOM 308 CB LEU A 932 -4.033 2.849 -0.907 1.00 0.00 C ATOM 309 CG LEU A 932 -3.131 1.968 -1.770 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.810 2.670 -2.062 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.877 0.645 -1.068 1.00 0.00 C ATOM 0 H LEU A 932 -6.130 2.024 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.413 4.510 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.391 3.467 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.595 2.195 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.634 1.779 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.183 2.025 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.003 3.602 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.298 2.886 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.233 0.022 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.390 0.829 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.825 0.134 -0.901 1.00 0.00 H new ATOM 323 N VAL A 933 -4.117 3.935 -3.867 1.00 0.00 N ATOM 324 CA VAL A 933 -3.372 4.553 -4.966 1.00 0.00 C ATOM 325 C VAL A 933 -4.152 5.703 -5.569 1.00 0.00 C ATOM 326 O VAL A 933 -3.580 6.724 -5.960 1.00 0.00 O ATOM 327 CB VAL A 933 -3.028 3.528 -6.071 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.508 4.214 -7.329 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.999 2.542 -5.560 1.00 0.00 C ATOM 0 H VAL A 933 -4.422 2.980 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.441 4.932 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.944 2.998 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -2.276 3.463 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -3.269 4.893 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.606 4.778 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.762 1.823 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -1.094 3.077 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.399 2.015 -4.694 1.00 0.00 H new ATOM 339 N LYS A 934 -5.458 5.536 -5.635 1.00 0.00 N ATOM 340 CA LYS A 934 -6.315 6.574 -6.173 1.00 0.00 C ATOM 341 C LYS A 934 -6.176 7.857 -5.350 1.00 0.00 C ATOM 342 O LYS A 934 -6.088 8.947 -5.907 1.00 0.00 O ATOM 343 CB LYS A 934 -7.759 6.082 -6.212 1.00 0.00 C ATOM 344 CG LYS A 934 -8.796 7.186 -6.322 1.00 0.00 C ATOM 345 CD LYS A 934 -10.164 6.696 -5.878 1.00 0.00 C ATOM 346 CE LYS A 934 -10.190 6.367 -4.391 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.502 5.819 -3.958 1.00 0.00 N ATOM 0 H LYS A 934 -5.947 4.696 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 934 -6.010 6.805 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.876 5.405 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.957 5.503 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.494 8.036 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.849 7.538 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.912 7.459 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -10.437 5.810 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.405 5.645 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.968 7.267 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.472 5.610 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.249 6.517 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.704 4.945 -4.485 1.00 0.00 H new ATOM 361 N ALA A 935 -6.125 7.720 -4.032 1.00 0.00 N ATOM 362 CA ALA A 935 -5.909 8.872 -3.155 1.00 0.00 C ATOM 363 C ALA A 935 -4.546 9.528 -3.412 1.00 0.00 C ATOM 364 O ALA A 935 -4.402 10.742 -3.281 1.00 0.00 O ATOM 365 CB ALA A 935 -6.027 8.460 -1.695 1.00 0.00 C ATOM 0 H ALA A 935 -6.229 6.830 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.682 9.607 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.864 9.329 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.023 8.056 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.280 7.699 -1.470 1.00 0.00 H new ATOM 371 N VAL A 936 -3.560 8.722 -3.795 1.00 0.00 N ATOM 372 CA VAL A 936 -2.195 9.205 -4.032 1.00 0.00 C ATOM 373 C VAL A 936 -2.147 10.293 -5.108 1.00 0.00 C ATOM 374 O VAL A 936 -2.011 11.474 -4.800 1.00 0.00 O ATOM 375 CB VAL A 936 -1.264 8.048 -4.458 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.145 8.550 -4.743 1.00 0.00 C ATOM 377 CG2 VAL A 936 -1.243 6.965 -3.394 1.00 0.00 C ATOM 0 H VAL A 936 -3.679 7.721 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.853 9.629 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.657 7.621 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 936 0.776 7.713 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.114 9.285 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.555 9.013 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.583 6.157 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.881 7.384 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.251 6.575 -3.252 1.00 0.00 H new ATOM 387 N ILE A 937 -2.272 9.884 -6.362 1.00 0.00 N ATOM 388 CA ILE A 937 -2.114 10.789 -7.504 1.00 0.00 C ATOM 389 C ILE A 937 -3.300 11.743 -7.672 1.00 0.00 C ATOM 390 O ILE A 937 -3.116 12.930 -7.975 1.00 0.00 O ATOM 391 CB ILE A 937 -1.919 9.995 -8.812 1.00 0.00 C ATOM 392 CG1 ILE A 937 -3.062 8.987 -9.005 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.571 9.284 -8.802 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.989 8.215 -10.306 1.00 0.00 C ATOM 0 H ILE A 937 -2.485 8.921 -6.622 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.227 11.387 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.935 10.693 -9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -3.054 8.281 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -4.013 9.519 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.446 8.727 -9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.228 10.020 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.529 8.595 -7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.830 7.525 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.029 8.910 -11.144 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -2.055 7.654 -10.344 1.00 0.00 H new ATOM 406 N GLU A 938 -4.501 11.253 -7.456 1.00 0.00 N ATOM 407 CA GLU A 938 -5.688 12.065 -7.702 1.00 0.00 C ATOM 408 C GLU A 938 -5.689 13.269 -6.776 1.00 0.00 C ATOM 409 O GLU A 938 -5.771 14.427 -7.213 1.00 0.00 O ATOM 410 CB GLU A 938 -6.963 11.239 -7.506 1.00 0.00 C ATOM 411 CG GLU A 938 -8.244 12.014 -7.767 1.00 0.00 C ATOM 412 CD GLU A 938 -8.316 12.549 -9.181 1.00 0.00 C ATOM 413 OE1 GLU A 938 -8.613 11.765 -10.102 1.00 0.00 O ATOM 414 OE2 GLU A 938 -8.067 13.755 -9.384 1.00 0.00 O ATOM 0 H GLU A 938 -4.688 10.310 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.666 12.411 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.931 10.375 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.983 10.856 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -9.101 11.367 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.313 12.844 -7.063 1.00 0.00 H new ATOM 421 N MET A 939 -5.525 12.994 -5.498 1.00 0.00 N ATOM 422 CA MET A 939 -5.563 14.042 -4.510 1.00 0.00 C ATOM 423 C MET A 939 -4.290 14.872 -4.587 1.00 0.00 C ATOM 424 O MET A 939 -4.307 16.063 -4.279 1.00 0.00 O ATOM 425 CB MET A 939 -5.766 13.459 -3.115 1.00 0.00 C ATOM 426 CG MET A 939 -6.987 12.562 -3.013 1.00 0.00 C ATOM 427 SD MET A 939 -8.510 13.375 -3.532 1.00 0.00 S ATOM 428 CE MET A 939 -9.670 12.019 -3.384 1.00 0.00 C ATOM 0 H MET A 939 -5.365 12.058 -5.125 1.00 0.00 H new ATOM 0 HA MET A 939 -6.410 14.696 -4.717 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.880 12.889 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.861 14.274 -2.398 1.00 0.00 H new ATOM 0 HG2 MET A 939 -6.830 11.674 -3.625 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.096 12.223 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 939 -10.665 12.359 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.362 11.204 -4.039 1.00 0.00 H new ATOM 0 HE3 MET A 939 -9.690 11.668 -2.352 1.00 0.00 H new ATOM 438 N SER A 940 -3.208 14.242 -5.065 1.00 0.00 N ATOM 439 CA SER A 940 -1.885 14.858 -5.081 1.00 0.00 C ATOM 440 C SER A 940 -1.914 16.219 -5.754 1.00 0.00 C ATOM 441 O SER A 940 -1.271 17.163 -5.309 1.00 0.00 O ATOM 442 CB SER A 940 -0.882 13.973 -5.831 1.00 0.00 C ATOM 443 OG SER A 940 -1.010 14.082 -7.237 1.00 0.00 O ATOM 0 H SER A 940 -3.230 13.297 -5.448 1.00 0.00 H new ATOM 0 HA SER A 940 -1.579 14.974 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.131 14.249 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 940 -1.027 12.934 -5.535 1.00 0.00 H new ATOM 0 HG SER A 940 -1.895 13.761 -7.511 1.00 0.00 H new ATOM 600 N TYR A 951 -3.928 16.740 4.477 1.00 0.00 N ATOM 601 CA TYR A 951 -3.015 15.617 4.243 1.00 0.00 C ATOM 602 C TYR A 951 -3.217 14.503 5.258 1.00 0.00 C ATOM 603 O TYR A 951 -3.512 13.377 4.882 1.00 0.00 O ATOM 604 CB TYR A 951 -1.547 16.072 4.279 1.00 0.00 C ATOM 605 CG TYR A 951 -1.181 17.089 3.218 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.669 16.981 1.929 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.353 18.163 3.507 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.352 17.919 0.964 1.00 0.00 C ATOM 609 CE2 TYR A 951 -0.026 19.100 2.546 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.528 18.973 1.275 1.00 0.00 C ATOM 611 OH TYR A 951 -0.211 19.904 0.315 1.00 0.00 O ATOM 0 HA TYR A 951 -3.248 15.233 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.335 16.496 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.906 15.198 4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.309 16.150 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.045 18.269 4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.752 17.823 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.621 19.928 2.794 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.515 20.789 0.605 1.00 0.00 H new ATOM 621 N VAL A 952 -3.043 14.817 6.539 1.00 0.00 N ATOM 622 CA VAL A 952 -3.239 13.827 7.594 1.00 0.00 C ATOM 623 C VAL A 952 -4.634 13.175 7.518 1.00 0.00 C ATOM 624 O VAL A 952 -4.721 11.951 7.518 1.00 0.00 O ATOM 625 CB VAL A 952 -2.910 14.390 9.016 1.00 0.00 C ATOM 626 CG1 VAL A 952 -3.011 15.909 9.064 1.00 0.00 C ATOM 627 CG2 VAL A 952 -3.788 13.761 10.092 1.00 0.00 C ATOM 0 H VAL A 952 -2.769 15.742 6.870 1.00 0.00 H new ATOM 0 HA VAL A 952 -2.515 13.032 7.417 1.00 0.00 H new ATOM 0 HB VAL A 952 -1.875 14.117 9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -2.775 16.258 10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -2.307 16.343 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -4.024 16.215 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -3.528 14.179 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -4.835 13.971 9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -3.629 12.683 10.107 1.00 0.00 H new ATOM 637 N PRO A 953 -5.743 13.949 7.458 1.00 0.00 N ATOM 638 CA PRO A 953 -7.079 13.399 7.158 1.00 0.00 C ATOM 639 C PRO A 953 -7.096 12.432 5.962 1.00 0.00 C ATOM 640 O PRO A 953 -7.646 11.334 6.048 1.00 0.00 O ATOM 641 CB PRO A 953 -7.861 14.667 6.847 1.00 0.00 C ATOM 642 CG PRO A 953 -7.312 15.629 7.825 1.00 0.00 C ATOM 643 CD PRO A 953 -5.833 15.391 7.773 1.00 0.00 C ATOM 0 HA PRO A 953 -7.477 12.795 7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.705 14.998 5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -8.934 14.524 6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.561 16.656 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -7.710 15.454 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.352 16.002 7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.352 15.628 8.722 1.00 0.00 H new ATOM 651 N MET A 954 -6.494 12.855 4.850 1.00 0.00 N ATOM 652 CA MET A 954 -6.371 12.019 3.651 1.00 0.00 C ATOM 653 C MET A 954 -5.623 10.729 3.981 1.00 0.00 C ATOM 654 O MET A 954 -6.056 9.631 3.643 1.00 0.00 O ATOM 655 CB MET A 954 -5.607 12.783 2.570 1.00 0.00 C ATOM 656 CG MET A 954 -5.411 12.017 1.266 1.00 0.00 C ATOM 657 SD MET A 954 -6.903 11.932 0.247 1.00 0.00 S ATOM 658 CE MET A 954 -7.914 10.753 1.138 1.00 0.00 C ATOM 0 H MET A 954 -6.079 13.782 4.753 1.00 0.00 H new ATOM 0 HA MET A 954 -7.370 11.771 3.291 1.00 0.00 H new ATOM 0 HB2 MET A 954 -6.139 13.710 2.355 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.629 13.061 2.963 1.00 0.00 H new ATOM 0 HG2 MET A 954 -4.615 12.491 0.692 1.00 0.00 H new ATOM 0 HG3 MET A 954 -5.079 11.004 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 954 -8.527 10.192 0.432 1.00 0.00 H new ATOM 0 HE2 MET A 954 -7.272 10.065 1.687 1.00 0.00 H new ATOM 0 HE3 MET A 954 -8.560 11.283 1.838 1.00 0.00 H new ATOM 668 N VAL A 955 -4.496 10.903 4.647 1.00 0.00 N ATOM 669 CA VAL A 955 -3.710 9.805 5.211 1.00 0.00 C ATOM 670 C VAL A 955 -4.543 8.894 6.108 1.00 0.00 C ATOM 671 O VAL A 955 -4.295 7.696 6.148 1.00 0.00 O ATOM 672 CB VAL A 955 -2.510 10.351 6.005 1.00 0.00 C ATOM 673 CG1 VAL A 955 -1.811 9.248 6.784 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.538 11.014 5.051 1.00 0.00 C ATOM 0 H VAL A 955 -4.089 11.823 4.817 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.355 9.210 4.370 1.00 0.00 H new ATOM 0 HB VAL A 955 -2.876 11.082 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -0.968 9.668 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.513 8.797 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.450 8.487 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.687 11.402 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.190 10.284 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.037 11.834 4.535 1.00 0.00 H new ATOM 684 N LYS A 956 -5.518 9.420 6.817 1.00 0.00 N ATOM 685 CA LYS A 956 -6.421 8.551 7.561 1.00 0.00 C ATOM 686 C LYS A 956 -7.216 7.643 6.618 1.00 0.00 C ATOM 687 O LYS A 956 -7.534 6.510 6.972 1.00 0.00 O ATOM 688 CB LYS A 956 -7.359 9.355 8.466 1.00 0.00 C ATOM 689 CG LYS A 956 -6.825 9.559 9.876 1.00 0.00 C ATOM 690 CD LYS A 956 -5.513 10.323 9.879 1.00 0.00 C ATOM 691 CE LYS A 956 -4.955 10.474 11.285 1.00 0.00 C ATOM 692 NZ LYS A 956 -4.528 9.171 11.863 1.00 0.00 N ATOM 0 H LYS A 956 -5.708 10.419 6.898 1.00 0.00 H new ATOM 0 HA LYS A 956 -5.808 7.918 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -7.541 10.329 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.321 8.845 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -7.562 10.101 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -6.682 8.590 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -4.788 9.803 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -5.665 11.309 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -4.106 11.157 11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -5.711 10.924 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.003 9.338 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -5.366 8.589 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.916 8.674 11.184 1.00 0.00 H new ATOM 706 N GLU A 957 -7.513 8.124 5.412 1.00 0.00 N ATOM 707 CA GLU A 957 -8.209 7.312 4.415 1.00 0.00 C ATOM 708 C GLU A 957 -7.252 6.348 3.709 1.00 0.00 C ATOM 709 O GLU A 957 -7.592 5.191 3.474 1.00 0.00 O ATOM 710 CB GLU A 957 -8.915 8.195 3.389 1.00 0.00 C ATOM 711 CG GLU A 957 -10.125 8.919 3.947 1.00 0.00 C ATOM 712 CD GLU A 957 -11.187 7.958 4.451 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.868 7.328 3.614 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.345 7.828 5.683 1.00 0.00 O ATOM 0 H GLU A 957 -7.284 9.068 5.102 1.00 0.00 H new ATOM 0 HA GLU A 957 -8.957 6.722 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -8.207 8.929 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -9.226 7.580 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.812 9.572 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -10.553 9.557 3.174 1.00 0.00 H new ATOM 721 N VAL A 958 -6.062 6.832 3.350 1.00 0.00 N ATOM 722 CA VAL A 958 -5.051 5.977 2.713 1.00 0.00 C ATOM 723 C VAL A 958 -4.526 4.978 3.719 1.00 0.00 C ATOM 724 O VAL A 958 -4.191 3.847 3.373 1.00 0.00 O ATOM 725 CB VAL A 958 -3.850 6.765 2.152 1.00 0.00 C ATOM 726 CG1 VAL A 958 -3.166 5.992 1.034 1.00 0.00 C ATOM 727 CG2 VAL A 958 -4.273 8.139 1.695 1.00 0.00 C ATOM 0 H VAL A 958 -5.773 7.801 3.486 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.549 5.486 1.877 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.124 6.894 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.322 6.569 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -2.809 5.037 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -3.876 5.815 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -3.408 8.675 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -5.027 8.046 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -4.690 8.690 2.538 1.00 0.00 H new ATOM 737 N GLY A 959 -4.461 5.403 4.964 1.00 0.00 N ATOM 738 CA GLY A 959 -4.112 4.508 6.030 1.00 0.00 C ATOM 739 C GLY A 959 -5.185 3.459 6.208 1.00 0.00 C ATOM 740 O GLY A 959 -4.897 2.291 6.468 1.00 0.00 O ATOM 0 H GLY A 959 -4.646 6.363 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.158 4.028 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -3.984 5.068 6.957 1.00 0.00 H new ATOM 744 N LEU A 960 -6.431 3.893 6.035 1.00 0.00 N ATOM 745 CA LEU A 960 -7.573 2.991 6.011 1.00 0.00 C ATOM 746 C LEU A 960 -7.453 2.026 4.834 1.00 0.00 C ATOM 747 O LEU A 960 -7.876 0.881 4.918 1.00 0.00 O ATOM 748 CB LEU A 960 -8.883 3.781 5.904 1.00 0.00 C ATOM 749 CG LEU A 960 -10.157 2.935 5.824 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.551 2.414 7.195 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.292 3.740 5.209 1.00 0.00 C ATOM 0 H LEU A 960 -6.674 4.876 5.908 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.583 2.423 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -8.960 4.442 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -8.833 4.416 5.020 1.00 0.00 H new ATOM 0 HG LEU A 960 -9.955 2.076 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.459 1.816 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.746 1.797 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.731 3.254 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.190 3.124 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.489 4.619 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.012 4.054 4.204 1.00 0.00 H new ATOM 763 N ALA A 961 -6.852 2.483 3.748 1.00 0.00 N ATOM 764 CA ALA A 961 -6.682 1.647 2.570 1.00 0.00 C ATOM 765 C ALA A 961 -5.595 0.599 2.807 1.00 0.00 C ATOM 766 O ALA A 961 -5.854 -0.594 2.685 1.00 0.00 O ATOM 767 CB ALA A 961 -6.361 2.510 1.366 1.00 0.00 C ATOM 0 H ALA A 961 -6.474 3.426 3.657 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.614 1.117 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.235 1.877 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.177 3.212 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.440 3.063 1.550 1.00 0.00 H new ATOM 773 N LEU A 962 -4.378 1.058 3.118 1.00 0.00 N ATOM 774 CA LEU A 962 -3.315 0.191 3.648 1.00 0.00 C ATOM 775 C LEU A 962 -3.849 -0.842 4.641 1.00 0.00 C ATOM 776 O LEU A 962 -3.589 -2.020 4.471 1.00 0.00 O ATOM 777 CB LEU A 962 -2.206 1.020 4.317 1.00 0.00 C ATOM 778 CG LEU A 962 -1.639 0.404 5.606 1.00 0.00 C ATOM 779 CD1 LEU A 962 -0.622 -0.687 5.300 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.030 1.466 6.501 1.00 0.00 C ATOM 0 H LEU A 962 -4.101 2.034 3.011 1.00 0.00 H new ATOM 0 HA LEU A 962 -2.901 -0.344 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.392 1.155 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.598 2.011 4.545 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.472 -0.053 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -0.241 -1.101 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -1.099 -1.477 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 962 0.203 -0.265 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.638 0.999 7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.221 1.968 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.794 2.195 6.772 1.00 0.00 H new ATOM 792 N ARG A 963 -4.567 -0.436 5.674 1.00 0.00 N ATOM 793 CA ARG A 963 -5.047 -1.414 6.652 1.00 0.00 C ATOM 794 C ARG A 963 -6.093 -2.344 6.046 1.00 0.00 C ATOM 795 O ARG A 963 -6.174 -3.508 6.430 1.00 0.00 O ATOM 796 CB ARG A 963 -5.627 -0.741 7.878 1.00 0.00 C ATOM 797 CG ARG A 963 -6.864 0.056 7.543 1.00 0.00 C ATOM 798 CD ARG A 963 -7.538 0.618 8.768 1.00 0.00 C ATOM 799 NE ARG A 963 -8.190 -0.419 9.566 1.00 0.00 N ATOM 800 CZ ARG A 963 -9.374 -0.262 10.153 1.00 0.00 C ATOM 801 NH1 ARG A 963 -9.980 0.920 10.127 1.00 0.00 N ATOM 802 NH2 ARG A 963 -9.944 -1.278 10.785 1.00 0.00 N ATOM 0 H ARG A 963 -4.828 0.532 5.860 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.180 -2.002 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.871 -1.495 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.879 -0.083 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.596 0.873 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.567 -0.580 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.800 1.135 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.277 1.360 8.466 1.00 0.00 H new ATOM 0 HE ARG A 963 -7.711 -1.312 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.538 1.710 9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -10.887 1.038 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -9.475 -2.183 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -10.852 -1.155 11.234 1.00 0.00 H new ATOM 816 N THR A 964 -6.883 -1.847 5.101 1.00 0.00 N ATOM 817 CA THR A 964 -7.836 -2.705 4.409 1.00 0.00 C ATOM 818 C THR A 964 -7.059 -3.723 3.595 1.00 0.00 C ATOM 819 O THR A 964 -7.439 -4.890 3.489 1.00 0.00 O ATOM 820 CB THR A 964 -8.794 -1.915 3.484 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.502 -0.921 4.238 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.807 -2.849 2.841 1.00 0.00 C ATOM 0 H THR A 964 -6.884 -0.872 4.801 1.00 0.00 H new ATOM 0 HA THR A 964 -8.459 -3.192 5.159 1.00 0.00 H new ATOM 0 HB THR A 964 -8.195 -1.437 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 964 -9.023 -0.068 4.185 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.471 -2.276 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.285 -3.601 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.392 -3.341 3.618 1.00 0.00 H new ATOM 830 N LEU A 965 -5.934 -3.263 3.069 1.00 0.00 N ATOM 831 CA LEU A 965 -5.022 -4.111 2.320 1.00 0.00 C ATOM 832 C LEU A 965 -4.331 -5.074 3.264 1.00 0.00 C ATOM 833 O LEU A 965 -4.098 -6.238 2.952 1.00 0.00 O ATOM 834 CB LEU A 965 -3.966 -3.260 1.614 1.00 0.00 C ATOM 835 CG LEU A 965 -2.839 -4.053 0.952 1.00 0.00 C ATOM 836 CD1 LEU A 965 -3.382 -4.960 -0.132 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.802 -3.112 0.376 1.00 0.00 C ATOM 0 H LEU A 965 -5.629 -2.293 3.150 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.593 -4.666 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.458 -2.652 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.530 -2.573 2.339 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.367 -4.674 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.561 -5.514 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -4.095 -5.661 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.881 -4.360 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.006 -3.691 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.269 -2.468 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.384 -2.499 1.174 1.00 0.00 H new ATOM 849 N LEU A 966 -4.019 -4.563 4.439 1.00 0.00 N ATOM 850 CA LEU A 966 -3.283 -5.310 5.418 1.00 0.00 C ATOM 851 C LEU A 966 -4.163 -6.441 5.917 1.00 0.00 C ATOM 852 O LEU A 966 -3.707 -7.551 6.102 1.00 0.00 O ATOM 853 CB LEU A 966 -2.848 -4.383 6.567 1.00 0.00 C ATOM 854 CG LEU A 966 -1.880 -4.981 7.596 1.00 0.00 C ATOM 855 CD1 LEU A 966 -1.062 -3.882 8.254 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.634 -5.767 8.661 1.00 0.00 C ATOM 0 H LEU A 966 -4.272 -3.620 4.733 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.379 -5.732 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.382 -3.498 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.742 -4.048 7.093 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.210 -5.661 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.380 -4.322 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.489 -3.351 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.730 -3.184 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.925 -6.181 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.329 -5.105 9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.189 -6.579 8.190 1.00 0.00 H new ATOM 868 N ALA A 967 -5.440 -6.131 6.108 1.00 0.00 N ATOM 869 CA ALA A 967 -6.423 -7.109 6.550 1.00 0.00 C ATOM 870 C ALA A 967 -6.745 -8.134 5.468 1.00 0.00 C ATOM 871 O ALA A 967 -6.929 -9.300 5.787 1.00 0.00 O ATOM 872 CB ALA A 967 -7.687 -6.414 7.029 1.00 0.00 C ATOM 0 H ALA A 967 -5.821 -5.196 5.961 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.984 -7.655 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.411 -7.160 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.446 -5.754 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -8.112 -5.829 6.213 1.00 0.00 H new ATOM 878 N THR A 968 -6.801 -7.733 4.203 1.00 0.00 N ATOM 879 CA THR A 968 -7.034 -8.702 3.136 1.00 0.00 C ATOM 880 C THR A 968 -5.848 -9.665 3.029 1.00 0.00 C ATOM 881 O THR A 968 -6.023 -10.875 2.879 1.00 0.00 O ATOM 882 CB THR A 968 -7.292 -8.009 1.784 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.369 -6.935 1.605 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.719 -7.481 1.713 1.00 0.00 C ATOM 0 H THR A 968 -6.691 -6.767 3.894 1.00 0.00 H new ATOM 0 HA THR A 968 -7.930 -9.269 3.389 1.00 0.00 H new ATOM 0 HB THR A 968 -7.154 -8.741 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.816 -6.192 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.880 -6.996 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.419 -8.309 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.880 -6.760 2.514 1.00 0.00 H new ATOM 892 N VAL A 969 -4.646 -9.115 3.146 1.00 0.00 N ATOM 893 CA VAL A 969 -3.419 -9.911 3.182 1.00 0.00 C ATOM 894 C VAL A 969 -3.294 -10.687 4.505 1.00 0.00 C ATOM 895 O VAL A 969 -2.912 -11.857 4.510 1.00 0.00 O ATOM 896 CB VAL A 969 -2.164 -9.031 2.961 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.896 -9.862 3.019 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.246 -8.303 1.631 1.00 0.00 C ATOM 0 H VAL A 969 -4.491 -8.109 3.219 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.482 -10.629 2.364 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.131 -8.295 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -0.031 -9.218 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.818 -10.340 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.926 -10.626 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.354 -7.691 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.313 -9.030 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -3.130 -7.665 1.619 1.00 0.00 H new ATOM 908 N ASP A 970 -3.684 -10.073 5.609 1.00 0.00 N ATOM 909 CA ASP A 970 -3.578 -10.728 6.917 1.00 0.00 C ATOM 910 C ASP A 970 -4.555 -11.886 6.971 1.00 0.00 C ATOM 911 O ASP A 970 -4.238 -12.978 7.447 1.00 0.00 O ATOM 912 CB ASP A 970 -3.868 -9.742 8.053 1.00 0.00 C ATOM 913 CG ASP A 970 -3.920 -10.402 9.417 1.00 0.00 C ATOM 914 OD1 ASP A 970 -4.992 -10.927 9.787 1.00 0.00 O ATOM 915 OD2 ASP A 970 -2.900 -10.368 10.134 1.00 0.00 O ATOM 0 H ASP A 970 -4.074 -9.131 5.635 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.560 -11.095 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.100 -8.969 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.819 -9.245 7.860 1.00 0.00 H new ATOM 920 N GLU A 971 -5.736 -11.634 6.443 1.00 0.00 N ATOM 921 CA GLU A 971 -6.767 -12.641 6.346 1.00 0.00 C ATOM 922 C GLU A 971 -6.291 -13.771 5.444 1.00 0.00 C ATOM 923 O GLU A 971 -6.601 -14.935 5.671 1.00 0.00 O ATOM 924 CB GLU A 971 -8.038 -11.995 5.805 1.00 0.00 C ATOM 925 CG GLU A 971 -9.215 -12.943 5.647 1.00 0.00 C ATOM 926 CD GLU A 971 -10.462 -12.232 5.163 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.507 -11.833 3.978 1.00 0.00 O ATOM 928 OE2 GLU A 971 -11.395 -12.040 5.969 1.00 0.00 O ATOM 0 H GLU A 971 -6.006 -10.724 6.070 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.982 -13.063 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.329 -11.184 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.817 -11.547 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -8.952 -13.732 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.422 -13.425 6.602 1.00 0.00 H new ATOM 935 N SER A 972 -5.498 -13.413 4.443 1.00 0.00 N ATOM 936 CA SER A 972 -4.901 -14.387 3.543 1.00 0.00 C ATOM 937 C SER A 972 -3.882 -15.260 4.272 1.00 0.00 C ATOM 938 O SER A 972 -3.577 -16.365 3.827 1.00 0.00 O ATOM 939 CB SER A 972 -4.225 -13.673 2.371 1.00 0.00 C ATOM 940 OG SER A 972 -5.182 -13.049 1.532 1.00 0.00 O ATOM 0 H SER A 972 -5.252 -12.445 4.234 1.00 0.00 H new ATOM 0 HA SER A 972 -5.697 -15.030 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.527 -12.926 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.642 -14.389 1.792 1.00 0.00 H new ATOM 0 HG SER A 972 -5.632 -12.332 2.026 1.00 0.00 H new ATOM 946 N LEU A 973 -3.388 -14.785 5.415 1.00 0.00 N ATOM 947 CA LEU A 973 -2.318 -15.480 6.125 1.00 0.00 C ATOM 948 C LEU A 973 -2.819 -16.809 6.705 1.00 0.00 C ATOM 949 O LEU A 973 -2.213 -17.850 6.448 1.00 0.00 O ATOM 950 CB LEU A 973 -1.715 -14.577 7.220 1.00 0.00 C ATOM 951 CG LEU A 973 -0.436 -15.088 7.902 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.352 -13.924 8.483 1.00 0.00 C ATOM 953 CD2 LEU A 973 -0.763 -16.078 9.010 1.00 0.00 C ATOM 0 H LEU A 973 -3.710 -13.928 5.865 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.526 -15.711 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.501 -13.603 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.472 -14.420 7.988 1.00 0.00 H new ATOM 0 HG LEU A 973 0.164 -15.595 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.255 -14.300 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.626 -13.235 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.260 -13.402 9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 973 0.161 -16.423 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.387 -15.592 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.298 -16.930 8.590 1.00 0.00 H new ATOM 965 N PRO A 974 -3.922 -16.826 7.490 1.00 0.00 N ATOM 966 CA PRO A 974 -4.479 -18.073 8.006 1.00 0.00 C ATOM 967 C PRO A 974 -5.508 -18.706 7.067 1.00 0.00 C ATOM 968 O PRO A 974 -6.024 -19.787 7.348 1.00 0.00 O ATOM 969 CB PRO A 974 -5.136 -17.660 9.335 1.00 0.00 C ATOM 970 CG PRO A 974 -5.050 -16.163 9.392 1.00 0.00 C ATOM 971 CD PRO A 974 -4.675 -15.692 8.013 1.00 0.00 C ATOM 0 HA PRO A 974 -3.707 -18.835 8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.173 -17.993 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.621 -18.113 10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.003 -15.733 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.306 -15.847 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.553 -15.472 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.073 -14.784 8.043 1.00 0.00 H new ATOM 979 N VAL A 975 -5.811 -18.047 5.955 1.00 0.00 N ATOM 980 CA VAL A 975 -6.702 -18.636 4.962 1.00 0.00 C ATOM 981 C VAL A 975 -5.917 -19.516 3.989 1.00 0.00 C ATOM 982 O VAL A 975 -6.372 -20.604 3.620 1.00 0.00 O ATOM 983 CB VAL A 975 -7.512 -17.564 4.193 1.00 0.00 C ATOM 984 CG1 VAL A 975 -8.106 -18.127 2.908 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.622 -17.018 5.079 1.00 0.00 C ATOM 0 H VAL A 975 -5.459 -17.119 5.720 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.418 -19.256 5.501 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.829 -16.758 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.668 -17.347 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -7.304 -18.482 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.772 -18.956 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -9.187 -16.264 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.288 -17.830 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.187 -16.568 5.971 1.00 0.00 H new ATOM 1049 N THR A 980 2.722 -19.472 3.293 1.00 0.00 N ATOM 1050 CA THR A 980 2.631 -18.127 2.740 1.00 0.00 C ATOM 1051 C THR A 980 2.681 -17.055 3.844 1.00 0.00 C ATOM 1052 O THR A 980 2.842 -15.866 3.565 1.00 0.00 O ATOM 1053 CB THR A 980 1.334 -17.993 1.907 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.251 -19.081 0.979 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.292 -16.684 1.146 1.00 0.00 C ATOM 0 HA THR A 980 3.493 -17.964 2.093 1.00 0.00 H new ATOM 0 HB THR A 980 0.488 -18.013 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.620 -19.890 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.367 -16.626 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 980 1.336 -15.853 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 980 2.143 -16.630 0.467 1.00 0.00 H new ATOM 1063 N HIS A 981 2.591 -17.495 5.099 1.00 0.00 N ATOM 1064 CA HIS A 981 2.614 -16.590 6.250 1.00 0.00 C ATOM 1065 C HIS A 981 3.826 -15.650 6.236 1.00 0.00 C ATOM 1066 O HIS A 981 3.722 -14.514 6.678 1.00 0.00 O ATOM 1067 CB HIS A 981 2.587 -17.365 7.577 1.00 0.00 C ATOM 1068 CG HIS A 981 3.857 -18.093 7.884 1.00 0.00 C ATOM 1069 ND1 HIS A 981 4.742 -17.712 8.868 1.00 0.00 N ATOM 1070 CD2 HIS A 981 4.381 -19.186 7.311 1.00 0.00 C ATOM 1071 CE1 HIS A 981 5.765 -18.546 8.881 1.00 0.00 C ATOM 1072 NE2 HIS A 981 5.569 -19.453 7.944 1.00 0.00 N ATOM 0 H HIS A 981 2.501 -18.480 5.346 1.00 0.00 H new ATOM 0 HA HIS A 981 1.712 -15.983 6.169 1.00 0.00 H new ATOM 0 HB2 HIS A 981 2.375 -16.668 8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.767 -18.082 7.550 1.00 0.00 H new ATOM 0 HD2 HIS A 981 3.948 -19.752 6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 981 6.616 -18.494 9.544 1.00 0.00 H new ATOM 0 HE2 HIS A 981 6.197 -20.226 7.726 1.00 0.00 H new ATOM 1081 N ARG A 982 4.965 -16.105 5.711 1.00 0.00 N ATOM 1082 CA ARG A 982 6.183 -15.295 5.776 1.00 0.00 C ATOM 1083 C ARG A 982 6.241 -14.273 4.648 1.00 0.00 C ATOM 1084 O ARG A 982 6.933 -13.264 4.771 1.00 0.00 O ATOM 1085 CB ARG A 982 7.461 -16.137 5.820 1.00 0.00 C ATOM 1086 CG ARG A 982 7.539 -17.182 4.714 1.00 0.00 C ATOM 1087 CD ARG A 982 8.959 -17.363 4.194 1.00 0.00 C ATOM 1088 NE ARG A 982 9.314 -16.348 3.197 1.00 0.00 N ATOM 1089 CZ ARG A 982 10.465 -16.316 2.525 1.00 0.00 C ATOM 1090 NH1 ARG A 982 11.390 -17.248 2.723 1.00 0.00 N ATOM 1091 NH2 ARG A 982 10.666 -15.363 1.625 1.00 0.00 N ATOM 0 H ARG A 982 5.070 -17.007 5.247 1.00 0.00 H new ATOM 0 HA ARG A 982 6.132 -14.755 6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.325 -15.476 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.524 -16.637 6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.167 -18.135 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 982 6.887 -16.888 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.659 -17.312 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.060 -18.355 3.753 1.00 0.00 H new ATOM 0 HE ARG A 982 8.632 -15.614 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 982 11.223 -17.998 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 982 12.267 -17.214 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.944 -14.664 1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.543 -15.329 1.105 1.00 0.00 H new ATOM 1105 N GLU A 983 5.517 -14.492 3.570 1.00 0.00 N ATOM 1106 CA GLU A 983 5.401 -13.459 2.552 1.00 0.00 C ATOM 1107 C GLU A 983 4.390 -12.432 2.999 1.00 0.00 C ATOM 1108 O GLU A 983 4.573 -11.228 2.837 1.00 0.00 O ATOM 1109 CB GLU A 983 4.961 -14.040 1.225 1.00 0.00 C ATOM 1110 CG GLU A 983 6.088 -14.184 0.209 1.00 0.00 C ATOM 1111 CD GLU A 983 7.216 -15.074 0.690 1.00 0.00 C ATOM 1112 OE1 GLU A 983 8.073 -14.589 1.457 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.256 -16.261 0.291 1.00 0.00 O ATOM 0 H GLU A 983 5.009 -15.355 3.374 1.00 0.00 H new ATOM 0 HA GLU A 983 6.381 -13.000 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.514 -15.019 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.183 -13.405 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.683 -14.591 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.487 -13.197 -0.024 1.00 0.00 H new ATOM 1120 N ILE A 984 3.333 -12.938 3.592 1.00 0.00 N ATOM 1121 CA ILE A 984 2.239 -12.120 4.059 1.00 0.00 C ATOM 1122 C ILE A 984 2.686 -11.281 5.237 1.00 0.00 C ATOM 1123 O ILE A 984 2.266 -10.133 5.362 1.00 0.00 O ATOM 1124 CB ILE A 984 1.035 -12.999 4.449 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.413 -13.622 3.202 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.006 -12.216 5.249 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.516 -14.771 3.493 1.00 0.00 C ATOM 0 H ILE A 984 3.208 -13.935 3.765 1.00 0.00 H new ATOM 0 HA ILE A 984 1.929 -11.456 3.252 1.00 0.00 H new ATOM 0 HB ILE A 984 1.394 -13.801 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.135 -12.853 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.210 -13.970 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.828 -12.869 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.466 -11.838 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.358 -11.379 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.918 -15.160 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 984 0.031 -15.560 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.335 -14.426 4.124 1.00 0.00 H new ATOM 1139 N GLU A 985 3.582 -11.802 6.053 1.00 0.00 N ATOM 1140 CA GLU A 985 4.031 -11.042 7.198 1.00 0.00 C ATOM 1141 C GLU A 985 4.907 -9.885 6.730 1.00 0.00 C ATOM 1142 O GLU A 985 4.761 -8.745 7.175 1.00 0.00 O ATOM 1143 CB GLU A 985 4.791 -11.924 8.201 1.00 0.00 C ATOM 1144 CG GLU A 985 6.141 -12.421 7.724 1.00 0.00 C ATOM 1145 CD GLU A 985 6.814 -13.318 8.740 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.373 -14.474 8.910 1.00 0.00 O ATOM 1147 OE2 GLU A 985 7.782 -12.864 9.385 1.00 0.00 O ATOM 0 H GLU A 985 4.003 -12.725 5.948 1.00 0.00 H new ATOM 0 HA GLU A 985 3.155 -10.648 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 985 4.934 -11.360 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 985 4.170 -12.785 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 985 6.015 -12.966 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 985 6.786 -11.568 7.512 1.00 0.00 H new ATOM 1154 N MET A 986 5.792 -10.206 5.783 1.00 0.00 N ATOM 1155 CA MET A 986 6.816 -9.286 5.317 1.00 0.00 C ATOM 1156 C MET A 986 6.214 -8.161 4.488 1.00 0.00 C ATOM 1157 O MET A 986 6.568 -6.994 4.635 1.00 0.00 O ATOM 1158 CB MET A 986 7.840 -10.051 4.466 1.00 0.00 C ATOM 1159 CG MET A 986 8.926 -9.167 3.868 1.00 0.00 C ATOM 1160 SD MET A 986 10.013 -8.452 5.119 1.00 0.00 S ATOM 1161 CE MET A 986 10.813 -9.930 5.743 1.00 0.00 C ATOM 0 H MET A 986 5.813 -11.115 5.321 1.00 0.00 H new ATOM 0 HA MET A 986 7.301 -8.847 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.308 -10.819 5.081 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.317 -10.564 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 986 9.521 -9.754 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 986 8.461 -8.364 3.296 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.884 -9.752 5.837 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.400 -10.183 6.720 1.00 0.00 H new ATOM 0 HE3 MET A 986 10.642 -10.756 5.052 1.00 0.00 H new ATOM 1171 N ALA A 987 5.296 -8.543 3.614 1.00 0.00 N ATOM 1172 CA ALA A 987 4.762 -7.649 2.600 1.00 0.00 C ATOM 1173 C ALA A 987 3.784 -6.628 3.172 1.00 0.00 C ATOM 1174 O ALA A 987 3.902 -5.437 2.889 1.00 0.00 O ATOM 1175 CB ALA A 987 4.111 -8.460 1.495 1.00 0.00 C ATOM 0 H ALA A 987 4.900 -9.483 3.588 1.00 0.00 H new ATOM 0 HA ALA A 987 5.596 -7.079 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.712 -7.787 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.852 -9.118 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.301 -9.058 1.912 1.00 0.00 H new ATOM 1181 N GLN A 988 2.802 -7.081 3.949 1.00 0.00 N ATOM 1182 CA GLN A 988 1.878 -6.143 4.590 1.00 0.00 C ATOM 1183 C GLN A 988 2.651 -5.192 5.507 1.00 0.00 C ATOM 1184 O GLN A 988 2.265 -4.041 5.706 1.00 0.00 O ATOM 1185 CB GLN A 988 0.763 -6.881 5.349 1.00 0.00 C ATOM 1186 CG GLN A 988 1.211 -7.621 6.600 1.00 0.00 C ATOM 1187 CD GLN A 988 0.149 -8.581 7.116 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -1.111 -8.277 6.840 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.460 -9.591 7.744 1.00 0.00 N flip ATOM 0 H GLN A 988 2.626 -8.066 4.148 1.00 0.00 H new ATOM 0 HA GLN A 988 1.391 -5.552 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -0.004 -6.159 5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.296 -7.596 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.124 -8.175 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.454 -6.899 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.442 -9.790 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.264 -10.230 8.073 1.00 0.00 H new ATOM 1198 N LYS A 989 3.762 -5.693 6.028 1.00 0.00 N ATOM 1199 CA LYS A 989 4.712 -4.900 6.792 1.00 0.00 C ATOM 1200 C LYS A 989 5.469 -3.901 5.914 1.00 0.00 C ATOM 1201 O LYS A 989 5.775 -2.785 6.331 1.00 0.00 O ATOM 1202 CB LYS A 989 5.695 -5.860 7.432 1.00 0.00 C ATOM 1203 CG LYS A 989 7.099 -5.320 7.607 1.00 0.00 C ATOM 1204 CD LYS A 989 7.977 -6.329 8.312 1.00 0.00 C ATOM 1205 CE LYS A 989 9.391 -5.810 8.498 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.148 -5.771 7.221 1.00 0.00 N ATOM 0 H LYS A 989 4.031 -6.672 5.931 1.00 0.00 H new ATOM 0 HA LYS A 989 4.171 -4.319 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.310 -6.152 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 989 5.743 -6.764 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.525 -5.078 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.069 -4.394 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 989 7.547 -6.569 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.002 -7.255 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 989 9.355 -4.809 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 989 9.918 -6.444 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.160 -5.642 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 10.008 -6.664 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 9.807 -4.979 6.639 1.00 0.00 H new ATOM 1220 N LEU A 990 5.828 -4.352 4.716 1.00 0.00 N ATOM 1221 CA LEU A 990 6.565 -3.527 3.773 1.00 0.00 C ATOM 1222 C LEU A 990 5.924 -2.152 3.566 1.00 0.00 C ATOM 1223 O LEU A 990 6.543 -1.130 3.877 1.00 0.00 O ATOM 1224 CB LEU A 990 6.671 -4.244 2.434 1.00 0.00 C ATOM 1225 CG LEU A 990 7.200 -3.377 1.309 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.704 -3.196 1.435 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.831 -3.969 -0.041 1.00 0.00 C ATOM 0 H LEU A 990 5.617 -5.291 4.377 1.00 0.00 H new ATOM 0 HA LEU A 990 7.556 -3.364 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.323 -5.110 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.686 -4.620 2.156 1.00 0.00 H new ATOM 0 HG LEU A 990 6.736 -2.393 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 990 9.065 -2.571 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.934 -2.718 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.193 -4.169 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 990 7.220 -3.332 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.262 -4.966 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.746 -4.034 -0.126 1.00 0.00 H new ATOM 1239 N LEU A 991 4.684 -2.114 3.087 1.00 0.00 N ATOM 1240 CA LEU A 991 4.036 -0.831 2.824 1.00 0.00 C ATOM 1241 C LEU A 991 3.648 -0.170 4.127 1.00 0.00 C ATOM 1242 O LEU A 991 3.469 1.044 4.205 1.00 0.00 O ATOM 1243 CB LEU A 991 2.801 -0.987 1.946 1.00 0.00 C ATOM 1244 CG LEU A 991 1.540 -1.508 2.634 1.00 0.00 C ATOM 1245 CD1 LEU A 991 0.313 -1.011 1.894 1.00 0.00 C ATOM 1246 CD2 LEU A 991 1.544 -3.025 2.690 1.00 0.00 C ATOM 0 H LEU A 991 4.118 -2.936 2.877 1.00 0.00 H new ATOM 0 HA LEU A 991 4.752 -0.207 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.573 -0.018 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 991 3.047 -1.663 1.127 1.00 0.00 H new ATOM 0 HG LEU A 991 1.519 -1.133 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -0.585 -1.384 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 991 0.303 0.079 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 991 0.338 -1.370 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 991 0.637 -3.373 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 991 1.583 -3.426 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.415 -3.366 3.249 1.00 0.00 H new ATOM 1258 N ASN A 992 3.525 -1.001 5.141 1.00 0.00 N ATOM 1259 CA ASN A 992 3.257 -0.567 6.493 1.00 0.00 C ATOM 1260 C ASN A 992 4.253 0.511 6.930 1.00 0.00 C ATOM 1261 O ASN A 992 3.862 1.622 7.298 1.00 0.00 O ATOM 1262 CB ASN A 992 3.351 -1.795 7.375 1.00 0.00 C ATOM 1263 CG ASN A 992 2.987 -1.561 8.834 1.00 0.00 C ATOM 1264 OD1 ASN A 992 3.156 -0.470 9.377 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.488 -2.603 9.486 1.00 0.00 N ATOM 0 H ASN A 992 3.610 -2.013 5.046 1.00 0.00 H new ATOM 0 HA ASN A 992 2.267 -0.118 6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 992 2.696 -2.567 6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.368 -2.183 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.231 -2.514 10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.361 -3.493 9.004 1.00 0.00 H new ATOM 1272 N SER A 993 5.535 0.209 6.842 1.00 0.00 N ATOM 1273 CA SER A 993 6.551 1.164 7.250 1.00 0.00 C ATOM 1274 C SER A 993 6.688 2.316 6.246 1.00 0.00 C ATOM 1275 O SER A 993 6.999 3.439 6.636 1.00 0.00 O ATOM 1276 CB SER A 993 7.889 0.456 7.462 1.00 0.00 C ATOM 1277 OG SER A 993 7.738 -0.673 8.307 1.00 0.00 O ATOM 0 H SER A 993 5.896 -0.680 6.496 1.00 0.00 H new ATOM 0 HA SER A 993 6.236 1.603 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.295 0.143 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.606 1.150 7.901 1.00 0.00 H new ATOM 0 HG SER A 993 8.607 -1.111 8.427 1.00 0.00 H new ATOM 1283 N ASP A 994 6.456 2.053 4.967 1.00 0.00 N ATOM 1284 CA ASP A 994 6.558 3.129 3.977 1.00 0.00 C ATOM 1285 C ASP A 994 5.413 4.145 4.109 1.00 0.00 C ATOM 1286 O ASP A 994 5.592 5.329 3.836 1.00 0.00 O ATOM 1287 CB ASP A 994 6.658 2.601 2.553 1.00 0.00 C ATOM 1288 CG ASP A 994 7.816 3.254 1.823 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.959 2.758 1.950 1.00 0.00 O ATOM 1290 OD2 ASP A 994 7.610 4.281 1.152 1.00 0.00 O ATOM 0 H ASP A 994 6.204 1.138 4.594 1.00 0.00 H new ATOM 0 HA ASP A 994 7.490 3.651 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.794 1.520 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.728 2.797 2.020 1.00 0.00 H new ATOM 1295 N LEU A 995 4.240 3.686 4.531 1.00 0.00 N ATOM 1296 CA LEU A 995 3.136 4.589 4.875 1.00 0.00 C ATOM 1297 C LEU A 995 3.445 5.329 6.169 1.00 0.00 C ATOM 1298 O LEU A 995 2.861 6.376 6.438 1.00 0.00 O ATOM 1299 CB LEU A 995 1.790 3.850 4.949 1.00 0.00 C ATOM 1300 CG LEU A 995 0.563 4.730 5.241 1.00 0.00 C ATOM 1301 CD1 LEU A 995 -0.644 4.241 4.458 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.246 4.737 6.730 1.00 0.00 C ATOM 0 H LEU A 995 4.024 2.696 4.645 1.00 0.00 H new ATOM 0 HA LEU A 995 3.040 5.324 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.627 3.333 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.858 3.085 5.722 1.00 0.00 H new ATOM 0 HG LEU A 995 0.797 5.748 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -1.502 4.876 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -0.426 4.282 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.871 3.214 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -0.625 5.366 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.036 3.720 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.100 5.130 7.282 1.00 0.00 H new ATOM 1314 N ALA A 996 4.404 4.849 6.936 1.00 0.00 N ATOM 1315 CA ALA A 996 4.914 5.648 8.050 1.00 0.00 C ATOM 1316 C ALA A 996 5.851 6.745 7.521 1.00 0.00 C ATOM 1317 O ALA A 996 5.985 7.808 8.135 1.00 0.00 O ATOM 1318 CB ALA A 996 5.591 4.785 9.105 1.00 0.00 C ATOM 0 H ALA A 996 4.841 3.935 6.820 1.00 0.00 H new ATOM 0 HA ALA A 996 4.068 6.126 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.955 5.418 9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.874 4.066 9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.429 4.252 8.656 1.00 0.00 H new ATOM 1324 N GLU A 997 6.436 6.519 6.348 1.00 0.00 N ATOM 1325 CA GLU A 997 7.202 7.557 5.656 1.00 0.00 C ATOM 1326 C GLU A 997 6.245 8.569 5.065 1.00 0.00 C ATOM 1327 O GLU A 997 6.458 9.777 5.162 1.00 0.00 O ATOM 1328 CB GLU A 997 8.035 6.969 4.522 1.00 0.00 C ATOM 1329 CG GLU A 997 8.898 5.809 4.941 1.00 0.00 C ATOM 1330 CD GLU A 997 9.949 6.208 5.956 1.00 0.00 C ATOM 1331 OE1 GLU A 997 10.888 6.943 5.588 1.00 0.00 O ATOM 1332 OE2 GLU A 997 9.825 5.819 7.134 1.00 0.00 O ATOM 0 H GLU A 997 6.396 5.627 5.855 1.00 0.00 H new ATOM 0 HA GLU A 997 7.870 8.023 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.367 6.644 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.670 7.751 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.269 5.025 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.387 5.387 4.063 1.00 0.00 H new ATOM 1339 N LEU A 998 5.176 8.060 4.475 1.00 0.00 N ATOM 1340 CA LEU A 998 4.169 8.895 3.853 1.00 0.00 C ATOM 1341 C LEU A 998 3.618 9.916 4.842 1.00 0.00 C ATOM 1342 O LEU A 998 3.467 11.096 4.521 1.00 0.00 O ATOM 1343 CB LEU A 998 3.035 8.025 3.338 1.00 0.00 C ATOM 1344 CG LEU A 998 1.700 8.754 3.161 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.518 9.178 1.720 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.537 7.894 3.624 1.00 0.00 C ATOM 0 H LEU A 998 4.985 7.060 4.415 1.00 0.00 H new ATOM 0 HA LEU A 998 4.631 9.432 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.330 7.597 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.891 7.193 4.028 1.00 0.00 H new ATOM 0 HG LEU A 998 1.717 9.648 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.565 9.695 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.329 9.847 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.529 8.298 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.397 8.439 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.510 6.974 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.662 7.651 4.679 1.00 0.00 H new ATOM 1358 N ILE A 999 3.354 9.449 6.057 1.00 0.00 N ATOM 1359 CA ILE A 999 2.760 10.281 7.108 1.00 0.00 C ATOM 1360 C ILE A 999 3.685 11.428 7.521 1.00 0.00 C ATOM 1361 O ILE A 999 3.238 12.559 7.673 1.00 0.00 O ATOM 1362 CB ILE A 999 2.402 9.425 8.347 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.259 8.462 8.007 1.00 0.00 C ATOM 1364 CG2 ILE A 999 2.035 10.305 9.536 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.899 7.525 9.141 1.00 0.00 C ATOM 0 H ILE A 999 3.543 8.489 6.345 1.00 0.00 H new ATOM 0 HA ILE A 999 1.850 10.715 6.695 1.00 0.00 H new ATOM 0 HB ILE A 999 3.279 8.842 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.377 9.041 7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.539 7.872 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.788 9.676 10.392 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.879 10.946 9.788 1.00 0.00 H new ATOM 0 HG23 ILE A 999 1.174 10.923 9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 999 0.083 6.873 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.767 6.920 9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.587 8.107 10.009 1.00 0.00 H new ATOM 1377 N ASN A1000 4.969 11.148 7.693 1.00 0.00 N ATOM 1378 CA ASN A1000 5.916 12.185 8.116 1.00 0.00 C ATOM 1379 C ASN A1000 6.045 13.299 7.073 1.00 0.00 C ATOM 1380 O ASN A1000 6.211 14.476 7.408 1.00 0.00 O ATOM 1381 CB ASN A1000 7.290 11.573 8.397 1.00 0.00 C ATOM 1382 CG ASN A1000 7.371 10.962 9.785 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.706 11.641 10.756 1.00 0.00 O ATOM 1384 ND2 ASN A1000 7.070 9.679 9.898 1.00 0.00 N ATOM 0 H ASN A1000 5.381 10.226 7.550 1.00 0.00 H new ATOM 0 HA ASN A1000 5.524 12.627 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.505 10.807 7.651 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.056 12.341 8.294 1.00 0.00 H new ATOM 0 HD21 ASN A1000 7.112 9.224 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.796 9.145 9.073 1.00 0.00 H new ATOM 1391 N LYS A1001 5.930 12.915 5.812 1.00 0.00 N ATOM 1392 CA LYS A1001 6.153 13.825 4.693 1.00 0.00 C ATOM 1393 C LYS A1001 4.901 14.652 4.418 1.00 0.00 C ATOM 1394 O LYS A1001 4.962 15.867 4.230 1.00 0.00 O ATOM 1395 CB LYS A1001 6.562 13.011 3.460 1.00 0.00 C ATOM 1396 CG LYS A1001 7.820 12.183 3.699 1.00 0.00 C ATOM 1397 CD LYS A1001 8.075 11.172 2.589 1.00 0.00 C ATOM 1398 CE LYS A1001 9.317 10.336 2.885 1.00 0.00 C ATOM 1399 NZ LYS A1001 9.611 9.350 1.808 1.00 0.00 N ATOM 0 H LYS A1001 5.680 11.966 5.532 1.00 0.00 H new ATOM 0 HA LYS A1001 6.955 14.520 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.743 12.349 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.729 13.687 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.679 12.849 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.730 11.658 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A1001 7.209 10.518 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.201 11.693 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.174 10.997 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.179 9.808 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.633 9.157 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.096 8.466 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 9.310 9.738 0.891 1.00 0.00 H new ATOM 1413 N MET A1002 3.757 13.992 4.464 1.00 0.00 N ATOM 1414 CA MET A1002 2.480 14.666 4.300 1.00 0.00 C ATOM 1415 C MET A1002 2.299 15.656 5.432 1.00 0.00 C ATOM 1416 O MET A1002 1.598 16.661 5.312 1.00 0.00 O ATOM 1417 CB MET A1002 1.323 13.655 4.297 1.00 0.00 C ATOM 1418 CG MET A1002 1.106 12.903 5.601 1.00 0.00 C ATOM 1419 SD MET A1002 0.110 13.815 6.797 1.00 0.00 S ATOM 1420 CE MET A1002 -0.139 12.550 8.041 1.00 0.00 C ATOM 0 H MET A1002 3.686 12.986 4.614 1.00 0.00 H new ATOM 0 HA MET A1002 2.473 15.188 3.343 1.00 0.00 H new ATOM 0 HB2 MET A1002 0.403 14.183 4.045 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.501 12.928 3.504 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.621 11.951 5.386 1.00 0.00 H new ATOM 0 HG3 MET A1002 2.075 12.674 6.045 1.00 0.00 H new ATOM 0 HE1 MET A1002 -0.345 13.021 9.002 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.983 11.921 7.757 1.00 0.00 H new ATOM 0 HE3 MET A1002 0.759 11.937 8.122 1.00 0.00 H new ATOM 1430 N LYS A1003 2.973 15.352 6.535 1.00 0.00 N ATOM 1431 CA LYS A1003 2.748 16.032 7.786 1.00 0.00 C ATOM 1432 C LYS A1003 3.282 17.452 7.721 1.00 0.00 C ATOM 1433 O LYS A1003 2.545 18.410 7.937 1.00 0.00 O ATOM 1434 CB LYS A1003 3.451 15.278 8.912 1.00 0.00 C ATOM 1435 CG LYS A1003 2.736 15.336 10.245 1.00 0.00 C ATOM 1436 CD LYS A1003 1.445 14.537 10.221 1.00 0.00 C ATOM 1437 CE LYS A1003 1.011 14.119 11.621 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.870 15.275 12.546 1.00 0.00 N ATOM 0 H LYS A1003 3.688 14.626 6.578 1.00 0.00 H new ATOM 0 HA LYS A1003 1.676 16.066 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.564 14.234 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.455 15.685 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A1003 3.390 14.949 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.518 16.374 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.658 15.133 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.578 13.650 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A1003 0.060 13.590 11.560 1.00 0.00 H new ATOM 0 HE3 LYS A1003 1.740 13.419 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 0.445 14.955 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.807 15.684 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.259 15.995 12.111 1.00 0.00 H new ATOM 1452 N LEU A1004 4.559 17.585 7.376 1.00 0.00 N ATOM 1453 CA LEU A1004 5.186 18.898 7.262 1.00 0.00 C ATOM 1454 C LEU A1004 4.666 19.656 6.052 1.00 0.00 C ATOM 1455 O LEU A1004 4.847 20.868 5.956 1.00 0.00 O ATOM 1456 CB LEU A1004 6.711 18.778 7.195 1.00 0.00 C ATOM 1457 CG LEU A1004 7.396 18.378 8.505 1.00 0.00 C ATOM 1458 CD1 LEU A1004 8.864 18.075 8.272 1.00 0.00 C ATOM 1459 CD2 LEU A1004 7.254 19.483 9.534 1.00 0.00 C ATOM 0 H LEU A1004 5.179 16.802 7.171 1.00 0.00 H new ATOM 0 HA LEU A1004 4.923 19.461 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.968 18.044 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.120 19.734 6.868 1.00 0.00 H new ATOM 0 HG LEU A1004 6.910 17.478 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A1004 9.332 17.793 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A1004 8.958 17.254 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A1004 9.359 18.960 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A1004 7.746 19.184 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A1004 7.717 20.394 9.155 1.00 0.00 H new ATOM 0 HD23 LEU A1004 6.197 19.666 9.728 1.00 0.00 H new ATOM 1471 N ALA A1005 3.989 18.966 5.150 1.00 0.00 N ATOM 1472 CA ALA A1005 3.447 19.641 3.988 1.00 0.00 C ATOM 1473 C ALA A1005 2.287 20.540 4.401 1.00 0.00 C ATOM 1474 O ALA A1005 2.276 21.711 4.059 1.00 0.00 O ATOM 1475 CB ALA A1005 3.051 18.665 2.894 1.00 0.00 C ATOM 0 H ALA A1005 3.806 17.964 5.198 1.00 0.00 H new ATOM 0 HA ALA A1005 4.230 20.268 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.650 19.215 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.926 18.097 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.292 17.981 3.274 1.00 0.00 H new ATOM 1481 N GLN A1006 1.321 20.019 5.141 1.00 0.00 N ATOM 1482 CA GLN A1006 0.261 20.872 5.679 1.00 0.00 C ATOM 1483 C GLN A1006 0.751 21.730 6.842 1.00 0.00 C ATOM 1484 O GLN A1006 0.264 22.852 7.008 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.979 20.061 6.065 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.706 18.871 6.983 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.703 19.243 8.452 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.397 20.168 8.872 1.00 0.00 O ATOM 1489 NE2 GLN A1006 0.084 18.532 9.237 1.00 0.00 N ATOM 0 H GLN A1006 1.244 19.031 5.382 1.00 0.00 H new ATOM 0 HA GLN A1006 -0.031 21.553 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.691 20.724 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.456 19.698 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.462 18.105 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.258 18.433 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.643 17.773 8.847 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.133 18.741 10.234 1.00 0.00 H new ATOM 1498 N GLN A1007 1.725 21.244 7.612 1.00 0.00 N ATOM 1499 CA GLN A1007 2.343 22.073 8.650 1.00 0.00 C ATOM 1500 C GLN A1007 2.776 23.408 8.066 1.00 0.00 C ATOM 1501 O GLN A1007 2.537 24.470 8.641 1.00 0.00 O ATOM 1502 CB GLN A1007 3.551 21.378 9.281 1.00 0.00 C ATOM 1503 CG GLN A1007 3.164 20.263 10.234 1.00 0.00 C ATOM 1504 CD GLN A1007 4.287 19.856 11.172 1.00 0.00 C ATOM 1505 OE1 GLN A1007 5.085 20.818 11.614 1.00 0.00 O flip ATOM 1506 NE2 GLN A1007 4.409 18.685 11.531 1.00 0.00 N flip ATOM 0 H GLN A1007 2.099 20.298 7.540 1.00 0.00 H new ATOM 0 HA GLN A1007 1.597 22.235 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.182 20.970 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.148 22.116 9.817 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.305 20.581 10.824 1.00 0.00 H new ATOM 0 HG3 GLN A1007 2.850 19.394 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A1007 3.776 17.972 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.143 18.428 12.190 1.00 0.00 H new ATOM 1515 N TYR A1008 3.411 23.352 6.906 1.00 0.00 N ATOM 1516 CA TYR A1008 3.787 24.563 6.212 1.00 0.00 C ATOM 1517 C TYR A1008 3.166 24.589 4.823 1.00 0.00 C ATOM 1518 O TYR A1008 3.835 24.914 3.842 1.00 0.00 O ATOM 1519 CB TYR A1008 5.310 24.702 6.141 1.00 0.00 C ATOM 1520 CG TYR A1008 5.963 24.945 7.490 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.202 23.897 8.373 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.346 26.222 7.875 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.803 24.115 9.595 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.949 26.449 9.098 1.00 0.00 C ATOM 1525 CZ TYR A1008 7.175 25.391 9.954 1.00 0.00 C ATOM 1526 OH TYR A1008 7.775 25.615 11.174 1.00 0.00 O ATOM 0 H TYR A1008 3.673 22.487 6.433 1.00 0.00 H new ATOM 0 HA TYR A1008 3.405 25.416 6.772 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.729 23.796 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.560 25.526 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A1008 5.912 22.894 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.170 27.053 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A1008 6.981 23.289 10.267 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.242 27.449 9.382 1.00 0.00 H new ATOM 0 HH TYR A1008 7.975 26.570 11.270 1.00 0.00 H new ATOM 1536 N VAL A1009 1.884 24.209 4.747 1.00 0.00 N ATOM 1537 CA VAL A1009 1.098 24.314 3.512 1.00 0.00 C ATOM 1538 C VAL A1009 1.184 25.716 2.941 1.00 0.00 C ATOM 1539 O VAL A1009 1.110 25.929 1.731 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.390 23.943 3.736 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -1.019 24.807 4.822 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -1.179 24.062 2.436 1.00 0.00 C ATOM 0 H VAL A1009 1.365 23.822 5.535 1.00 0.00 H new ATOM 0 HA VAL A1009 1.525 23.602 2.805 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.425 22.906 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -2.063 24.522 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.481 24.662 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.964 25.856 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.221 23.797 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.124 25.087 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.757 23.387 1.691 1.00 0.00 H new ATOM 1552 N MET A1010 1.361 26.666 3.828 1.00 0.00 N ATOM 1553 CA MET A1010 1.528 28.055 3.428 1.00 0.00 C ATOM 1554 C MET A1010 2.869 28.288 2.708 1.00 0.00 C ATOM 1555 O MET A1010 3.118 29.382 2.209 1.00 0.00 O ATOM 1556 CB MET A1010 1.430 28.970 4.654 1.00 0.00 C ATOM 1557 CG MET A1010 2.549 28.762 5.663 1.00 0.00 C ATOM 1558 SD MET A1010 2.348 29.766 7.147 1.00 0.00 S ATOM 1559 CE MET A1010 0.853 29.057 7.830 1.00 0.00 C ATOM 0 H MET A1010 1.394 26.509 4.835 1.00 0.00 H new ATOM 0 HA MET A1010 0.728 28.293 2.727 1.00 0.00 H new ATOM 0 HB2 MET A1010 1.440 30.008 4.323 1.00 0.00 H new ATOM 0 HB3 MET A1010 0.472 28.801 5.147 1.00 0.00 H new ATOM 0 HG2 MET A1010 2.587 27.710 5.944 1.00 0.00 H new ATOM 0 HG3 MET A1010 3.504 29.002 5.194 1.00 0.00 H new ATOM 0 HE1 MET A1010 0.794 29.287 8.894 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.014 29.476 7.320 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.868 27.976 7.693 1.00 0.00 H new ATOM 1569 N THR A1011 3.736 27.272 2.642 1.00 0.00 N ATOM 1570 CA THR A1011 5.083 27.486 2.109 1.00 0.00 C ATOM 1571 C THR A1011 5.614 26.308 1.238 1.00 0.00 C ATOM 1572 O THR A1011 4.877 25.375 0.826 1.00 0.00 O ATOM 1573 CB THR A1011 6.064 27.768 3.278 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.383 28.485 4.316 1.00 0.00 O ATOM 1575 CG2 THR A1011 7.255 28.606 2.827 1.00 0.00 C ATOM 0 H THR A1011 3.536 26.318 2.943 1.00 0.00 H new ATOM 0 HA THR A1011 5.020 28.346 1.442 1.00 0.00 H new ATOM 0 HB THR A1011 6.426 26.805 3.639 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.004 28.661 5.054 1.00 0.00 H new ATOM 0 HG21 THR A1011 7.918 28.782 3.674 1.00 0.00 H new ATOM 0 HG22 THR A1011 7.798 28.075 2.045 1.00 0.00 H new ATOM 0 HG23 THR A1011 6.902 29.561 2.439 1.00 0.00 H new ATOM 1583 N SER A1012 6.913 26.382 0.953 1.00 0.00 N ATOM 1584 CA SER A1012 7.593 25.445 0.083 1.00 0.00 C ATOM 1585 C SER A1012 7.458 24.015 0.575 1.00 0.00 C ATOM 1586 O SER A1012 7.432 23.090 -0.237 1.00 0.00 O ATOM 1587 CB SER A1012 9.062 25.837 -0.034 1.00 0.00 C ATOM 1588 OG SER A1012 9.177 27.205 -0.391 1.00 0.00 O ATOM 0 H SER A1012 7.524 27.107 1.329 1.00 0.00 H new ATOM 0 HA SER A1012 7.124 25.489 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.571 25.657 0.913 1.00 0.00 H new ATOM 0 HB3 SER A1012 9.553 25.216 -0.783 1.00 0.00 H new ATOM 0 HG SER A1012 10.124 27.446 -0.462 1.00 0.00 H new ATOM 1594 N LEU A1013 7.394 23.805 1.893 1.00 0.00 N ATOM 1595 CA LEU A1013 7.101 22.485 2.412 1.00 0.00 C ATOM 1596 C LEU A1013 5.895 21.876 1.763 1.00 0.00 C ATOM 1597 O LEU A1013 5.925 20.712 1.405 1.00 0.00 O ATOM 1598 CB LEU A1013 6.854 22.523 3.908 1.00 0.00 C ATOM 1599 CG LEU A1013 8.091 22.217 4.761 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.129 23.319 4.620 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.724 22.019 6.219 1.00 0.00 C ATOM 0 H LEU A1013 7.540 24.524 2.602 1.00 0.00 H new ATOM 0 HA LEU A1013 7.978 21.877 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.477 23.510 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.071 21.805 4.153 1.00 0.00 H new ATOM 0 HG LEU A1013 8.521 21.285 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A1013 9.998 23.081 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A1013 9.433 23.401 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A1013 8.701 24.266 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.624 21.804 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.256 22.925 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A1013 7.028 21.185 6.309 1.00 0.00 H new ATOM 1613 N GLN A1014 4.845 22.656 1.586 1.00 0.00 N ATOM 1614 CA GLN A1014 3.612 22.098 1.098 1.00 0.00 C ATOM 1615 C GLN A1014 3.861 21.406 -0.224 1.00 0.00 C ATOM 1616 O GLN A1014 3.509 20.247 -0.420 1.00 0.00 O ATOM 1617 CB GLN A1014 2.553 23.173 0.935 1.00 0.00 C ATOM 1618 CG GLN A1014 1.387 22.731 0.072 1.00 0.00 C ATOM 1619 CD GLN A1014 1.261 23.552 -1.198 1.00 0.00 C ATOM 1620 OE1 GLN A1014 2.392 23.996 -1.724 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 0.164 23.783 -1.703 1.00 0.00 N flip ATOM 0 H GLN A1014 4.826 23.659 1.771 1.00 0.00 H new ATOM 0 HA GLN A1014 3.245 21.374 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.181 23.461 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.008 24.060 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.510 21.680 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.464 22.811 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.684 23.423 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.102 24.335 -2.558 1.00 0.00 H new ATOM 1630 N GLN A1015 4.520 22.134 -1.121 1.00 0.00 N ATOM 1631 CA GLN A1015 4.749 21.618 -2.474 1.00 0.00 C ATOM 1632 C GLN A1015 5.782 20.479 -2.488 1.00 0.00 C ATOM 1633 O GLN A1015 5.589 19.472 -3.163 1.00 0.00 O ATOM 1634 CB GLN A1015 5.155 22.747 -3.430 1.00 0.00 C ATOM 1635 CG GLN A1015 6.411 23.488 -3.008 1.00 0.00 C ATOM 1636 CD GLN A1015 6.737 24.674 -3.895 1.00 0.00 C ATOM 1637 OE1 GLN A1015 5.714 25.333 -4.416 1.00 0.00 O flip ATOM 1638 NE2 GLN A1015 7.901 25.011 -4.089 1.00 0.00 N flip ATOM 0 H GLN A1015 4.899 23.064 -0.945 1.00 0.00 H new ATOM 0 HA GLN A1015 3.806 21.198 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.308 22.330 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.333 23.459 -3.506 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.292 23.834 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.253 22.795 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A1015 8.663 24.478 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A1015 8.107 25.824 -4.669 1.00 0.00 H new ATOM 1647 N GLU A1016 6.855 20.638 -1.727 1.00 0.00 N ATOM 1648 CA GLU A1016 7.910 19.625 -1.627 1.00 0.00 C ATOM 1649 C GLU A1016 7.409 18.356 -0.937 1.00 0.00 C ATOM 1650 O GLU A1016 7.471 17.257 -1.492 1.00 0.00 O ATOM 1651 CB GLU A1016 9.078 20.201 -0.829 1.00 0.00 C ATOM 1652 CG GLU A1016 10.220 19.225 -0.610 1.00 0.00 C ATOM 1653 CD GLU A1016 11.312 19.812 0.256 1.00 0.00 C ATOM 1654 OE1 GLU A1016 11.873 20.864 -0.119 1.00 0.00 O ATOM 1655 OE2 GLU A1016 11.617 19.230 1.317 1.00 0.00 O ATOM 0 H GLU A1016 7.024 21.469 -1.160 1.00 0.00 H new ATOM 0 HA GLU A1016 8.225 19.360 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.460 21.080 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A1016 8.711 20.538 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A1016 9.836 18.318 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.639 18.935 -1.574 1.00 0.00 H new ATOM 1662 N TYR A1017 6.901 18.538 0.263 1.00 0.00 N ATOM 1663 CA TYR A1017 6.498 17.460 1.146 1.00 0.00 C ATOM 1664 C TYR A1017 5.354 16.623 0.615 1.00 0.00 C ATOM 1665 O TYR A1017 5.264 15.439 0.893 1.00 0.00 O ATOM 1666 CB TYR A1017 6.104 18.087 2.464 1.00 0.00 C ATOM 1667 CG TYR A1017 7.331 18.171 3.343 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.211 19.240 3.247 1.00 0.00 C ATOM 1669 CD2 TYR A1017 7.650 17.138 4.214 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.366 19.281 4.005 1.00 0.00 C ATOM 1671 CE2 TYR A1017 8.807 17.167 4.963 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.659 18.244 4.859 1.00 0.00 C ATOM 1673 OH TYR A1017 10.817 18.267 5.598 1.00 0.00 O ATOM 0 H TYR A1017 6.752 19.464 0.664 1.00 0.00 H new ATOM 0 HA TYR A1017 7.338 16.772 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.687 19.081 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.330 17.492 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.990 20.052 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.980 16.296 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.036 20.124 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.044 16.350 5.628 1.00 0.00 H new ATOM 0 HH TYR A1017 10.869 17.459 6.150 1.00 0.00 H new ATOM 1683 N LYS A1018 4.455 17.283 -0.125 1.00 0.00 N ATOM 1684 CA LYS A1018 3.274 16.645 -0.701 1.00 0.00 C ATOM 1685 C LYS A1018 3.644 15.885 -1.966 1.00 0.00 C ATOM 1686 O LYS A1018 3.033 14.868 -2.295 1.00 0.00 O ATOM 1687 CB LYS A1018 2.189 17.684 -1.011 1.00 0.00 C ATOM 1688 CG LYS A1018 1.003 17.129 -1.791 1.00 0.00 C ATOM 1689 CD LYS A1018 0.235 16.075 -1.005 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.672 15.271 -1.921 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.378 14.181 -1.202 1.00 0.00 N ATOM 0 H LYS A1018 4.530 18.277 -0.339 1.00 0.00 H new ATOM 0 HA LYS A1018 2.879 15.941 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.828 18.108 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.634 18.501 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.330 17.945 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.357 16.695 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.935 15.408 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.360 16.556 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -1.405 15.936 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.080 14.845 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.047 13.715 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -0.685 13.485 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.897 14.578 -0.393 1.00 0.00 H new ATOM 1705 N LYS A1019 4.649 16.371 -2.674 1.00 0.00 N ATOM 1706 CA LYS A1019 5.169 15.631 -3.815 1.00 0.00 C ATOM 1707 C LYS A1019 5.896 14.415 -3.288 1.00 0.00 C ATOM 1708 O LYS A1019 5.638 13.292 -3.696 1.00 0.00 O ATOM 1709 CB LYS A1019 6.090 16.496 -4.676 1.00 0.00 C ATOM 1710 CG LYS A1019 5.386 17.109 -5.878 1.00 0.00 C ATOM 1711 CD LYS A1019 4.140 17.877 -5.468 1.00 0.00 C ATOM 1712 CE LYS A1019 3.357 18.366 -6.678 1.00 0.00 C ATOM 1713 NZ LYS A1019 4.185 19.203 -7.587 1.00 0.00 N ATOM 0 H LYS A1019 5.115 17.258 -2.486 1.00 0.00 H new ATOM 0 HA LYS A1019 4.346 15.325 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.507 17.294 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A1019 6.927 15.890 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.071 17.778 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.113 16.322 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.503 17.238 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.424 18.729 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.971 17.508 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.495 18.943 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.579 19.623 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.643 19.961 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.913 18.612 -8.036 1.00 0.00 H new ATOM 1727 N GLN A1020 6.788 14.668 -2.352 1.00 0.00 N ATOM 1728 CA GLN A1020 7.379 13.646 -1.503 1.00 0.00 C ATOM 1729 C GLN A1020 6.296 12.761 -0.861 1.00 0.00 C ATOM 1730 O GLN A1020 6.506 11.563 -0.673 1.00 0.00 O ATOM 1731 CB GLN A1020 8.206 14.369 -0.439 1.00 0.00 C ATOM 1732 CG GLN A1020 9.181 13.495 0.325 1.00 0.00 C ATOM 1733 CD GLN A1020 10.020 14.278 1.327 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.419 13.747 2.360 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.307 15.542 1.028 1.00 0.00 N ATOM 0 H GLN A1020 7.131 15.608 -2.154 1.00 0.00 H new ATOM 0 HA GLN A1020 8.011 12.980 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A1020 8.763 15.173 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.525 14.834 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.628 12.717 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.842 12.994 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.960 15.953 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.875 16.101 1.665 1.00 0.00 H new ATOM 1744 N MET A1021 5.140 13.332 -0.552 1.00 0.00 N ATOM 1745 CA MET A1021 4.026 12.564 -0.009 1.00 0.00 C ATOM 1746 C MET A1021 3.475 11.624 -1.057 1.00 0.00 C ATOM 1747 O MET A1021 3.287 10.450 -0.776 1.00 0.00 O ATOM 1748 CB MET A1021 2.929 13.499 0.518 1.00 0.00 C ATOM 1749 CG MET A1021 1.772 12.804 1.222 1.00 0.00 C ATOM 1750 SD MET A1021 0.491 12.242 0.082 1.00 0.00 S ATOM 1751 CE MET A1021 -0.788 11.734 1.231 1.00 0.00 C ATOM 0 H MET A1021 4.948 14.327 -0.668 1.00 0.00 H new ATOM 0 HA MET A1021 4.391 11.968 0.828 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.381 14.210 1.210 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.532 14.075 -0.318 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.154 11.950 1.781 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.331 13.488 1.947 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.229 10.796 0.893 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.353 11.595 2.221 1.00 0.00 H new ATOM 0 HE3 MET A1021 -1.560 12.502 1.279 1.00 0.00 H new ATOM 1761 N LEU A1022 3.245 12.103 -2.281 1.00 0.00 N ATOM 1762 CA LEU A1022 2.701 11.213 -3.291 1.00 0.00 C ATOM 1763 C LEU A1022 3.824 10.357 -3.879 1.00 0.00 C ATOM 1764 O LEU A1022 3.577 9.461 -4.667 1.00 0.00 O ATOM 1765 CB LEU A1022 1.932 11.967 -4.396 1.00 0.00 C ATOM 1766 CG LEU A1022 2.556 11.888 -5.799 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.488 11.946 -6.875 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.566 13.006 -6.005 1.00 0.00 C ATOM 0 H LEU A1022 3.420 13.061 -2.583 1.00 0.00 H new ATOM 0 HA LEU A1022 1.971 10.565 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.917 11.572 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.852 13.016 -4.110 1.00 0.00 H new ATOM 0 HG LEU A1022 3.073 10.932 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A1022 1.957 11.888 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.801 11.109 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A1022 0.937 12.883 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A1022 3.994 12.930 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.069 13.970 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.360 12.921 -5.263 1.00 0.00 H new ATOM 1780 N THR A1023 5.064 10.666 -3.500 1.00 0.00 N ATOM 1781 CA THR A1023 6.212 9.857 -3.891 1.00 0.00 C ATOM 1782 C THR A1023 6.368 8.683 -2.935 1.00 0.00 C ATOM 1783 O THR A1023 6.657 7.567 -3.354 1.00 0.00 O ATOM 1784 CB THR A1023 7.519 10.679 -3.920 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.390 11.777 -4.832 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.700 9.817 -4.340 1.00 0.00 C ATOM 0 H THR A1023 5.297 11.473 -2.921 1.00 0.00 H new ATOM 0 HA THR A1023 6.026 9.493 -4.902 1.00 0.00 H new ATOM 0 HB THR A1023 7.699 11.054 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A1023 6.861 12.488 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.606 10.422 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A1023 8.821 8.996 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.520 9.414 -5.337 1.00 0.00 H new ATOM 1794 N ALA A1024 6.159 8.937 -1.649 1.00 0.00 N ATOM 1795 CA ALA A1024 6.114 7.870 -0.663 1.00 0.00 C ATOM 1796 C ALA A1024 4.775 7.164 -0.749 1.00 0.00 C ATOM 1797 O ALA A1024 4.626 6.043 -0.297 1.00 0.00 O ATOM 1798 CB ALA A1024 6.365 8.400 0.744 1.00 0.00 C ATOM 0 H ALA A1024 6.018 9.872 -1.267 1.00 0.00 H new ATOM 0 HA ALA A1024 6.909 7.157 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.324 7.576 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.349 8.868 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.602 9.136 0.997 1.00 0.00 H new ATOM 1804 N ALA A1025 3.798 7.851 -1.313 1.00 0.00 N ATOM 1805 CA ALA A1025 2.526 7.246 -1.674 1.00 0.00 C ATOM 1806 C ALA A1025 2.618 6.596 -3.052 1.00 0.00 C ATOM 1807 O ALA A1025 1.827 5.721 -3.365 1.00 0.00 O ATOM 1808 CB ALA A1025 1.394 8.253 -1.605 1.00 0.00 C ATOM 0 H ALA A1025 3.863 8.845 -1.534 1.00 0.00 H new ATOM 0 HA ALA A1025 2.301 6.465 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.458 7.768 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.315 8.643 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.594 9.073 -2.294 1.00 0.00 H new ATOM 1814 N HIS A1026 3.553 7.029 -3.888 1.00 0.00 N ATOM 1815 CA HIS A1026 3.890 6.263 -5.089 1.00 0.00 C ATOM 1816 C HIS A1026 4.754 5.080 -4.680 1.00 0.00 C ATOM 1817 O HIS A1026 4.773 4.068 -5.353 1.00 0.00 O ATOM 1818 CB HIS A1026 4.586 7.138 -6.147 1.00 0.00 C ATOM 1819 CG HIS A1026 4.931 6.435 -7.434 1.00 0.00 C ATOM 1820 ND1 HIS A1026 4.247 6.640 -8.615 1.00 0.00 N ATOM 1821 CD2 HIS A1026 5.915 5.550 -7.726 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.791 5.908 -9.570 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.804 5.239 -9.056 1.00 0.00 N ATOM 0 H HIS A1026 4.085 7.890 -3.764 1.00 0.00 H new ATOM 0 HA HIS A1026 2.974 5.899 -5.555 1.00 0.00 H new ATOM 0 HB2 HIS A1026 3.940 7.986 -6.376 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.502 7.542 -5.716 1.00 0.00 H new ATOM 0 HD2 HIS A1026 6.651 5.162 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A1026 4.462 5.865 -10.598 1.00 0.00 H new ATOM 0 HE2 HIS A1026 6.408 4.594 -9.566 1.00 0.00 H new ATOM 1832 N ALA A1027 5.438 5.215 -3.559 1.00 0.00 N ATOM 1833 CA ALA A1027 6.071 4.100 -2.863 1.00 0.00 C ATOM 1834 C ALA A1027 5.014 3.261 -2.178 1.00 0.00 C ATOM 1835 O ALA A1027 5.108 2.039 -2.181 1.00 0.00 O ATOM 1836 CB ALA A1027 7.068 4.624 -1.847 1.00 0.00 C ATOM 0 H ALA A1027 5.574 6.114 -3.096 1.00 0.00 H new ATOM 0 HA ALA A1027 6.602 3.479 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.537 3.786 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.833 5.210 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.552 5.253 -1.122 1.00 0.00 H new ATOM 1842 N LEU A1028 4.008 3.892 -1.611 1.00 0.00 N ATOM 1843 CA LEU A1028 2.845 3.157 -1.156 1.00 0.00 C ATOM 1844 C LEU A1028 2.195 2.453 -2.336 1.00 0.00 C ATOM 1845 O LEU A1028 1.837 1.294 -2.232 1.00 0.00 O ATOM 1846 CB LEU A1028 1.841 4.069 -0.449 1.00 0.00 C ATOM 1847 CG LEU A1028 2.292 4.613 0.901 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.122 5.267 1.605 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.873 3.486 1.733 1.00 0.00 C ATOM 0 H LEU A1028 3.970 4.899 -1.455 1.00 0.00 H new ATOM 0 HA LEU A1028 3.171 2.415 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.616 4.911 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A1028 0.911 3.518 -0.308 1.00 0.00 H new ATOM 0 HG LEU A1028 3.066 5.367 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.449 5.655 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.742 6.086 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.332 4.532 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.196 3.876 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.114 2.719 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.727 3.053 1.213 1.00 0.00 H new ATOM 1861 N ALA A1029 2.056 3.150 -3.451 1.00 0.00 N ATOM 1862 CA ALA A1029 1.584 2.539 -4.685 1.00 0.00 C ATOM 1863 C ALA A1029 2.509 1.410 -5.139 1.00 0.00 C ATOM 1864 O ALA A1029 2.042 0.382 -5.629 1.00 0.00 O ATOM 1865 CB ALA A1029 1.453 3.585 -5.783 1.00 0.00 C ATOM 0 H ALA A1029 2.264 4.145 -3.528 1.00 0.00 H new ATOM 0 HA ALA A1029 0.602 2.110 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.099 3.110 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.742 4.351 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.424 4.045 -5.965 1.00 0.00 H new ATOM 1871 N VAL A1030 3.817 1.600 -4.970 1.00 0.00 N ATOM 1872 CA VAL A1030 4.786 0.602 -5.399 1.00 0.00 C ATOM 1873 C VAL A1030 4.698 -0.628 -4.508 1.00 0.00 C ATOM 1874 O VAL A1030 4.588 -1.754 -4.980 1.00 0.00 O ATOM 1875 CB VAL A1030 6.231 1.159 -5.368 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.259 0.033 -5.323 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.493 2.032 -6.584 1.00 0.00 C ATOM 0 H VAL A1030 4.225 2.431 -4.542 1.00 0.00 H new ATOM 0 HA VAL A1030 4.547 0.332 -6.427 1.00 0.00 H new ATOM 0 HB VAL A1030 6.330 1.758 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.263 0.457 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.101 -0.569 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.149 -0.595 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.513 2.414 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.361 1.442 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.793 2.867 -6.590 1.00 0.00 H new ATOM 1887 N ASP A1031 4.736 -0.373 -3.205 1.00 0.00 N ATOM 1888 CA ASP A1031 4.690 -1.419 -2.197 1.00 0.00 C ATOM 1889 C ASP A1031 3.341 -2.112 -2.212 1.00 0.00 C ATOM 1890 O ASP A1031 3.264 -3.317 -2.049 1.00 0.00 O ATOM 1891 CB ASP A1031 4.973 -0.842 -0.809 1.00 0.00 C ATOM 1892 CG ASP A1031 6.438 -0.496 -0.602 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.200 -0.451 -1.597 1.00 0.00 O ATOM 1894 OD2 ASP A1031 6.845 -0.293 0.558 1.00 0.00 O ATOM 0 H ASP A1031 4.800 0.569 -2.819 1.00 0.00 H new ATOM 0 HA ASP A1031 5.461 -2.153 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.369 0.053 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.664 -1.562 -0.051 1.00 0.00 H new ATOM 1899 N ALA A1032 2.284 -1.339 -2.425 1.00 0.00 N ATOM 1900 CA ALA A1032 0.945 -1.885 -2.609 1.00 0.00 C ATOM 1901 C ALA A1032 0.914 -2.819 -3.815 1.00 0.00 C ATOM 1902 O ALA A1032 0.326 -3.896 -3.743 1.00 0.00 O ATOM 1903 CB ALA A1032 -0.075 -0.779 -2.777 1.00 0.00 C ATOM 0 H ALA A1032 2.329 -0.321 -2.475 1.00 0.00 H new ATOM 0 HA ALA A1032 0.686 -2.453 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -1.065 -1.215 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.075 -0.146 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.180 -0.179 -3.650 1.00 0.00 H new ATOM 1909 N LYS A1033 1.558 -2.431 -4.908 1.00 0.00 N ATOM 1910 CA LYS A1033 1.694 -3.329 -6.050 1.00 0.00 C ATOM 1911 C LYS A1033 2.522 -4.542 -5.663 1.00 0.00 C ATOM 1912 O LYS A1033 2.107 -5.689 -5.833 1.00 0.00 O ATOM 1913 CB LYS A1033 2.393 -2.634 -7.218 1.00 0.00 C ATOM 1914 CG LYS A1033 1.491 -1.747 -8.054 1.00 0.00 C ATOM 1915 CD LYS A1033 2.206 -1.313 -9.321 1.00 0.00 C ATOM 1916 CE LYS A1033 1.331 -0.440 -10.201 1.00 0.00 C ATOM 1917 NZ LYS A1033 1.029 0.871 -9.569 1.00 0.00 N ATOM 0 H LYS A1033 1.989 -1.515 -5.029 1.00 0.00 H new ATOM 0 HA LYS A1033 0.690 -3.629 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A1033 3.213 -2.031 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A1033 2.835 -3.393 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A1033 0.577 -2.284 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.195 -0.871 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A1033 3.112 -0.767 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A1033 2.517 -2.195 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A1033 1.830 -0.275 -11.156 1.00 0.00 H new ATOM 0 HE3 LYS A1033 0.398 -0.962 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 0.516 1.472 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 0.442 0.722 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 1.917 1.338 -9.296 1.00 0.00 H new ATOM 1931 N ASN A1034 3.695 -4.248 -5.122 1.00 0.00 N ATOM 1932 CA ASN A1034 4.716 -5.242 -4.851 1.00 0.00 C ATOM 1933 C ASN A1034 4.250 -6.266 -3.831 1.00 0.00 C ATOM 1934 O ASN A1034 4.323 -7.463 -4.076 1.00 0.00 O ATOM 1935 CB ASN A1034 5.982 -4.550 -4.341 1.00 0.00 C ATOM 1936 CG ASN A1034 7.168 -5.487 -4.219 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.901 -5.704 -5.183 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.387 -6.025 -3.026 1.00 0.00 N ATOM 0 H ASN A1034 3.965 -3.301 -4.857 1.00 0.00 H new ATOM 0 HA ASN A1034 4.925 -5.769 -5.782 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.240 -3.735 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.778 -4.105 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.186 -6.643 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A1034 6.756 -5.821 -2.251 1.00 0.00 H new ATOM 1945 N LEU A1035 3.764 -5.790 -2.691 1.00 0.00 N ATOM 1946 CA LEU A1035 3.427 -6.672 -1.593 1.00 0.00 C ATOM 1947 C LEU A1035 2.266 -7.591 -1.971 1.00 0.00 C ATOM 1948 O LEU A1035 2.277 -8.762 -1.593 1.00 0.00 O ATOM 1949 CB LEU A1035 3.215 -5.882 -0.266 1.00 0.00 C ATOM 1950 CG LEU A1035 1.782 -5.534 0.218 1.00 0.00 C ATOM 1951 CD1 LEU A1035 0.977 -4.803 -0.836 1.00 0.00 C ATOM 1952 CD2 LEU A1035 1.035 -6.763 0.721 1.00 0.00 C ATOM 0 H LEU A1035 3.597 -4.801 -2.508 1.00 0.00 H new ATOM 0 HA LEU A1035 4.274 -7.329 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.694 -6.453 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.761 -4.943 -0.359 1.00 0.00 H new ATOM 0 HG LEU A1035 1.904 -4.853 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -0.017 -4.583 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.479 -3.871 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.889 -5.428 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A1035 0.037 -6.473 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A1035 0.954 -7.494 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A1035 1.579 -7.202 1.557 1.00 0.00 H new ATOM 1964 N LEU A1036 1.265 -7.108 -2.718 1.00 0.00 N ATOM 1965 CA LEU A1036 0.180 -8.021 -3.035 1.00 0.00 C ATOM 1966 C LEU A1036 0.651 -9.042 -4.072 1.00 0.00 C ATOM 1967 O LEU A1036 0.259 -10.208 -4.043 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.111 -7.290 -3.453 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.093 -6.532 -4.794 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.303 -7.475 -5.974 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.161 -5.450 -4.804 1.00 0.00 C ATOM 0 H LEU A1036 1.188 -6.160 -3.087 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.089 -8.561 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.916 -8.024 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.365 -6.579 -2.667 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.110 -6.072 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.284 -6.905 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.508 -8.221 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.267 -7.974 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -2.136 -4.923 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.142 -5.905 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.972 -4.745 -3.995 1.00 0.00 H new ATOM 1983 N ASP A1037 1.515 -8.569 -4.980 1.00 0.00 N ATOM 1984 CA ASP A1037 2.168 -9.416 -5.979 1.00 0.00 C ATOM 1985 C ASP A1037 2.973 -10.501 -5.287 1.00 0.00 C ATOM 1986 O ASP A1037 2.989 -11.660 -5.692 1.00 0.00 O ATOM 1987 CB ASP A1037 3.115 -8.573 -6.832 1.00 0.00 C ATOM 1988 CG ASP A1037 3.781 -9.384 -7.927 1.00 0.00 C ATOM 1989 OD1 ASP A1037 3.072 -9.856 -8.842 1.00 0.00 O ATOM 1990 OD2 ASP A1037 5.019 -9.538 -7.894 1.00 0.00 O ATOM 0 H ASP A1037 1.779 -7.586 -5.040 1.00 0.00 H new ATOM 0 HA ASP A1037 1.403 -9.868 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.560 -7.749 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.880 -8.132 -6.193 1.00 0.00 H new ATOM 1995 N VAL A1038 3.664 -10.071 -4.242 1.00 0.00 N ATOM 1996 CA VAL A1038 4.404 -10.946 -3.350 1.00 0.00 C ATOM 1997 C VAL A1038 3.523 -12.053 -2.798 1.00 0.00 C ATOM 1998 O VAL A1038 3.956 -13.188 -2.754 1.00 0.00 O ATOM 1999 CB VAL A1038 5.058 -10.136 -2.199 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.466 -11.036 -1.044 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.272 -9.375 -2.709 1.00 0.00 C ATOM 0 H VAL A1038 3.726 -9.085 -3.987 1.00 0.00 H new ATOM 0 HA VAL A1038 5.197 -11.415 -3.932 1.00 0.00 H new ATOM 0 HB VAL A1038 4.314 -9.428 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.920 -10.434 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.586 -11.544 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.185 -11.776 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.719 -8.812 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A1038 7.003 -10.080 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.966 -8.687 -3.497 1.00 0.00 H new ATOM 2011 N ILE A1039 2.299 -11.745 -2.408 1.00 0.00 N ATOM 2012 CA ILE A1039 1.390 -12.778 -1.921 1.00 0.00 C ATOM 2013 C ILE A1039 0.772 -13.556 -3.067 1.00 0.00 C ATOM 2014 O ILE A1039 0.512 -14.754 -2.931 1.00 0.00 O ATOM 2015 CB ILE A1039 0.312 -12.218 -0.963 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.902 -12.088 0.432 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.937 -13.092 -0.927 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.776 -10.872 0.625 1.00 0.00 C ATOM 0 H ILE A1039 1.911 -10.802 -2.417 1.00 0.00 H new ATOM 0 HA ILE A1039 1.991 -13.473 -1.334 1.00 0.00 H new ATOM 0 HB ILE A1039 0.006 -11.240 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.088 -12.055 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.488 -12.981 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.665 -12.658 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.369 -13.150 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.671 -14.093 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.156 -10.855 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.613 -10.911 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.191 -9.971 0.441 1.00 0.00 H new ATOM 2030 N ASP A1040 0.578 -12.913 -4.197 1.00 0.00 N ATOM 2031 CA ASP A1040 0.198 -13.626 -5.404 1.00 0.00 C ATOM 2032 C ASP A1040 1.238 -14.698 -5.711 1.00 0.00 C ATOM 2033 O ASP A1040 0.917 -15.882 -5.899 1.00 0.00 O ATOM 2034 CB ASP A1040 0.077 -12.655 -6.574 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.335 -12.551 -7.096 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.064 -13.564 -7.048 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -1.719 -11.463 -7.564 1.00 0.00 O ATOM 0 H ASP A1040 0.675 -11.904 -4.309 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.771 -14.102 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.418 -11.669 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A1040 0.736 -12.978 -7.380 1.00 0.00 H new ATOM 2042 N GLN A1041 2.486 -14.285 -5.714 1.00 0.00 N ATOM 2043 CA GLN A1041 3.588 -15.201 -5.871 1.00 0.00 C ATOM 2044 C GLN A1041 3.665 -16.137 -4.681 1.00 0.00 C ATOM 2045 O GLN A1041 3.817 -17.330 -4.845 1.00 0.00 O ATOM 2046 CB GLN A1041 4.892 -14.437 -6.008 1.00 0.00 C ATOM 2047 CG GLN A1041 5.114 -13.851 -7.387 1.00 0.00 C ATOM 2048 CD GLN A1041 6.451 -13.154 -7.497 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.458 -13.777 -7.832 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.473 -11.858 -7.233 1.00 0.00 N ATOM 0 H GLN A1041 2.762 -13.309 -5.608 1.00 0.00 H new ATOM 0 HA GLN A1041 3.424 -15.788 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.909 -13.632 -5.274 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.720 -15.104 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.056 -14.645 -8.132 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.316 -13.143 -7.613 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.615 -11.379 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.348 -11.338 -7.304 1.00 0.00 H new ATOM 2059 N ALA A1042 3.491 -15.585 -3.497 1.00 0.00 N ATOM 2060 CA ALA A1042 3.621 -16.325 -2.252 1.00 0.00 C ATOM 2061 C ALA A1042 2.780 -17.582 -2.239 1.00 0.00 C ATOM 2062 O ALA A1042 3.271 -18.650 -1.890 1.00 0.00 O ATOM 2063 CB ALA A1042 3.186 -15.450 -1.102 1.00 0.00 C ATOM 0 H ALA A1042 3.253 -14.602 -3.368 1.00 0.00 H new ATOM 0 HA ALA A1042 4.668 -16.614 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.283 -16.003 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.814 -14.560 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A1042 2.146 -15.154 -1.243 1.00 0.00 H new ATOM 2069 N ARG A1043 1.516 -17.464 -2.614 1.00 0.00 N ATOM 2070 CA ARG A1043 0.646 -18.620 -2.598 1.00 0.00 C ATOM 2071 C ARG A1043 1.121 -19.674 -3.598 1.00 0.00 C ATOM 2072 O ARG A1043 1.268 -20.833 -3.239 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.825 -18.237 -2.823 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.049 -17.111 -3.816 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.467 -16.557 -3.687 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.737 -15.428 -4.586 1.00 0.00 N ATOM 2077 CZ ARG A1043 -3.808 -14.625 -4.477 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -4.698 -14.809 -3.510 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -3.990 -13.629 -5.329 1.00 0.00 N ATOM 0 H ARG A1043 1.080 -16.596 -2.927 1.00 0.00 H new ATOM 0 HA ARG A1043 0.702 -19.060 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.366 -19.118 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.261 -17.950 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.324 -16.316 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.885 -17.475 -4.830 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.181 -17.355 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.633 -16.240 -2.658 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.072 -15.243 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -4.573 -15.567 -2.839 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.507 -14.192 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -3.314 -13.467 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.806 -13.024 -5.239 1.00 0.00 H new ATOM 2093 N LEU A1044 1.423 -19.269 -4.832 1.00 0.00 N ATOM 2094 CA LEU A1044 1.911 -20.228 -5.832 1.00 0.00 C ATOM 2095 C LEU A1044 3.295 -20.759 -5.460 1.00 0.00 C ATOM 2096 O LEU A1044 3.608 -21.927 -5.686 1.00 0.00 O ATOM 2097 CB LEU A1044 1.964 -19.590 -7.220 1.00 0.00 C ATOM 2098 CG LEU A1044 2.461 -20.510 -8.343 1.00 0.00 C ATOM 2099 CD1 LEU A1044 1.614 -21.774 -8.428 1.00 0.00 C ATOM 2100 CD2 LEU A1044 2.449 -19.779 -9.675 1.00 0.00 C ATOM 0 H LEU A1044 1.342 -18.307 -5.161 1.00 0.00 H new ATOM 0 HA LEU A1044 1.209 -21.062 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A1044 0.966 -19.235 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.612 -18.715 -7.176 1.00 0.00 H new ATOM 0 HG LEU A1044 3.486 -20.800 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A1044 1.987 -22.409 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A1044 1.671 -22.314 -7.483 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.577 -21.504 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A1044 2.805 -20.447 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.433 -19.458 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A1044 3.101 -18.907 -9.618 1.00 0.00 H new