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: A1001 LYS NZ :NH3+ -173:sc= 0.469 (180deg=0.2) USER MOD Set 1.2: A1020 GLN : amide:sc= -2.51! C(o=-2!,f=-3.1!) USER MOD Set 2.1: A 992 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.2: A 993 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 924 LYS NZ :NH3+ 174:sc= -0.0053 (180deg=0) USER MOD Set 3.2: A 972 SER OG : rot 83:sc= 1.32 USER MOD Set 4.1: A 954 MET CE :methyl 171:sc= -0.731 (180deg=-0.503) USER MOD Set 4.2: A1021 MET CE :methyl 146:sc= -5.68! (180deg=-8.16!) USER MOD Set 5.1: A 940 SER OG : rot -110:sc= -0.676 USER MOD Set 5.2: A1019 LYS NZ :NH3+ 167:sc= -0.0192 (180deg=-0.177) USER MOD Set 6.1: A 928 ASN : amide:sc= -13.4! C(o=-12!,f=-12!) USER MOD Set 6.2: A 968 THR OG1 : rot -81:sc= 1.12 USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 51:sc= 0.463 USER MOD Single : A 934 LYS NZ :NH3+ -118:sc= 1.26 (180deg=-0.232) USER MOD Single : A 939 MET CE :methyl 159:sc= -0.146 (180deg=-0.934) USER MOD Single : A 951 TYR OH : rot -15:sc= -1.43 USER MOD Single : A 956 LYS NZ :NH3+ 168:sc=-0.00584 (180deg=-0.15) USER MOD Single : A 964 THR OG1 : rot 53:sc= 1.26 USER MOD Single : A 980 THR OG1 : rot 26:sc= 0.116 USER MOD Single : A 981 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.2!) USER MOD Single : A 986 MET CE :methyl -162:sc= -0.0663 (180deg=-0.468) USER MOD Single : A 988 GLN :FLIP amide:sc= -3.53! C(o=-8.7!,f=-3.5!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 ASN : amide:sc= 1.08 K(o=1.1,f=-0.06) USER MOD Single : A1002 MET CE :methyl -163:sc= -3.24! (180deg=-4.7!) USER MOD Single : A1003 LYS NZ :NH3+ -162:sc= -0.0908 (180deg=-0.477) USER MOD Single : A1006 GLN : amide:sc= -0.695 K(o=-0.7,f=-1.7!) USER MOD Single : A1007 GLN :FLIP amide:sc= -3.99! C(o=-5.8!,f=-4!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl -165:sc= -0.0496 (180deg=-0.379) USER MOD Single : A1011 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -0.206 F(o=-2,f=-0.21) USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -165:sc= 0.767 (180deg=0.616) USER MOD Single : A1023 THR OG1 : rot 62:sc= 1.29 USER MOD Single : A1026 HIS : no HD1:sc=-0.000759 X(o=-0.00076,f=-0.00076) USER MOD Single : A1033 LYS NZ :NH3+ 169:sc= -0.0386 (180deg=-0.187) USER MOD Single : A1034 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A1041 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.758 -8.562 -3.088 1.00 0.00 N ATOM 180 CA LYS A 924 -9.054 -7.305 -2.378 1.00 0.00 C ATOM 181 C LYS A 924 -7.794 -6.582 -1.862 1.00 0.00 C ATOM 182 O LYS A 924 -7.889 -5.410 -1.495 1.00 0.00 O ATOM 183 CB LYS A 924 -10.030 -7.519 -1.205 1.00 0.00 C ATOM 184 CG LYS A 924 -10.315 -8.966 -0.864 1.00 0.00 C ATOM 185 CD LYS A 924 -9.048 -9.680 -0.467 1.00 0.00 C ATOM 186 CE LYS A 924 -9.264 -11.177 -0.381 1.00 0.00 C ATOM 187 NZ LYS A 924 -8.037 -11.896 0.051 1.00 0.00 N ATOM 0 HA LYS A 924 -9.523 -6.667 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.625 -7.026 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.972 -7.025 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.038 -9.017 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -10.766 -9.465 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -8.264 -9.465 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -8.703 -9.304 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -10.072 -11.386 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -9.581 -11.553 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.257 -12.902 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -7.304 -11.802 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -7.691 -11.487 0.942 1.00 0.00 H new ATOM 201 N VAL A 925 -6.627 -7.233 -1.820 1.00 0.00 N ATOM 202 CA VAL A 925 -5.378 -6.489 -1.607 1.00 0.00 C ATOM 203 C VAL A 925 -5.158 -5.442 -2.730 1.00 0.00 C ATOM 204 O VAL A 925 -4.680 -4.350 -2.476 1.00 0.00 O ATOM 205 CB VAL A 925 -4.130 -7.401 -1.473 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.018 -8.355 -2.647 1.00 0.00 C ATOM 207 CG2 VAL A 925 -2.869 -6.560 -1.340 1.00 0.00 C ATOM 0 H VAL A 925 -6.519 -8.242 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.495 -5.977 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 925 -4.245 -7.999 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.134 -8.981 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.906 -8.986 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.934 -7.785 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -2.003 -7.215 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -2.756 -5.932 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -2.944 -5.930 -0.454 1.00 0.00 H new ATOM 217 N TYR A 926 -5.569 -5.755 -3.956 1.00 0.00 N ATOM 218 CA TYR A 926 -5.517 -4.790 -5.064 1.00 0.00 C ATOM 219 C TYR A 926 -6.655 -3.813 -4.930 1.00 0.00 C ATOM 220 O TYR A 926 -6.549 -2.679 -5.387 1.00 0.00 O ATOM 221 CB TYR A 926 -5.587 -5.472 -6.455 1.00 0.00 C ATOM 222 CG TYR A 926 -7.006 -5.615 -6.980 1.00 0.00 C ATOM 223 CD1 TYR A 926 -7.759 -6.721 -6.663 1.00 0.00 C ATOM 224 CD2 TYR A 926 -7.603 -4.617 -7.729 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.061 -6.855 -7.055 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.912 -4.733 -8.145 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.646 -5.858 -7.803 1.00 0.00 C ATOM 228 OH TYR A 926 -10.961 -5.976 -8.195 1.00 0.00 O ATOM 0 H TYR A 926 -5.943 -6.669 -4.213 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.557 -4.277 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.000 -4.892 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.128 -6.459 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -7.305 -7.512 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -7.036 -3.736 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -9.626 -7.734 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -9.364 -3.950 -8.735 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.219 -5.186 -8.715 1.00 0.00 H new ATOM 238 N GLU A 927 -7.743 -4.217 -4.330 1.00 0.00 N ATOM 239 CA GLU A 927 -8.830 -3.280 -4.159 1.00 0.00 C ATOM 240 C GLU A 927 -8.619 -2.288 -3.021 1.00 0.00 C ATOM 241 O GLU A 927 -9.174 -1.188 -3.074 1.00 0.00 O ATOM 242 CB GLU A 927 -10.195 -3.920 -4.129 1.00 0.00 C ATOM 243 CG GLU A 927 -11.058 -3.268 -5.161 1.00 0.00 C ATOM 244 CD GLU A 927 -12.537 -3.359 -4.857 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.112 -4.456 -5.007 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.134 -2.333 -4.477 1.00 0.00 O ATOM 0 H GLU A 927 -7.902 -5.155 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.809 -2.685 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.115 -4.989 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.641 -3.810 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.777 -2.218 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.865 -3.730 -6.129 1.00 0.00 H new ATOM 253 N ASN A 928 -7.825 -2.603 -2.018 1.00 0.00 N ATOM 254 CA ASN A 928 -7.393 -1.545 -1.107 1.00 0.00 C ATOM 255 C ASN A 928 -6.378 -0.652 -1.826 1.00 0.00 C ATOM 256 O ASN A 928 -6.257 0.538 -1.541 1.00 0.00 O ATOM 257 CB ASN A 928 -6.824 -2.073 0.206 1.00 0.00 C ATOM 258 CG ASN A 928 -5.601 -2.914 0.010 1.00 0.00 C ATOM 259 OD1 ASN A 928 -4.502 -2.405 -0.179 1.00 0.00 O ATOM 260 ND2 ASN A 928 -5.790 -4.211 0.084 1.00 0.00 N ATOM 0 H ASN A 928 -7.474 -3.538 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.274 -0.966 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.581 -1.232 0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.586 -2.661 0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -5.000 -4.848 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -6.727 -4.582 0.243 1.00 0.00 H new ATOM 267 N VAL A 929 -5.675 -1.252 -2.788 1.00 0.00 N ATOM 268 CA VAL A 929 -4.668 -0.564 -3.601 1.00 0.00 C ATOM 269 C VAL A 929 -5.324 0.311 -4.665 1.00 0.00 C ATOM 270 O VAL A 929 -4.774 1.359 -5.009 1.00 0.00 O ATOM 271 CB VAL A 929 -3.682 -1.551 -4.274 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.778 -0.829 -5.264 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.852 -2.262 -3.222 1.00 0.00 C ATOM 0 H VAL A 929 -5.789 -2.237 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.099 0.067 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.263 -2.291 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.096 -1.545 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.386 -0.361 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.204 -0.064 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.163 -2.953 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.286 -1.528 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.510 -2.816 -2.553 1.00 0.00 H new ATOM 283 N THR A 930 -6.483 -0.056 -5.160 1.00 0.00 N ATOM 284 CA THR A 930 -7.206 0.840 -6.042 1.00 0.00 C ATOM 285 C THR A 930 -7.528 2.126 -5.274 1.00 0.00 C ATOM 286 O THR A 930 -7.369 3.237 -5.783 1.00 0.00 O ATOM 287 CB THR A 930 -8.502 0.186 -6.568 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.200 -1.103 -7.132 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.168 1.063 -7.622 1.00 0.00 C ATOM 0 H THR A 930 -6.941 -0.948 -4.975 1.00 0.00 H new ATOM 0 HA THR A 930 -6.585 1.068 -6.908 1.00 0.00 H new ATOM 0 HB THR A 930 -9.191 0.070 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.676 -1.626 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.078 0.579 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.417 2.030 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.485 1.208 -8.459 1.00 0.00 H new ATOM 297 N GLY A 931 -7.952 1.936 -4.032 1.00 0.00 N ATOM 298 CA GLY A 931 -8.222 3.051 -3.143 1.00 0.00 C ATOM 299 C GLY A 931 -6.973 3.841 -2.746 1.00 0.00 C ATOM 300 O GLY A 931 -6.934 5.062 -2.919 1.00 0.00 O ATOM 0 H GLY A 931 -8.116 1.018 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.929 3.726 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.705 2.676 -2.241 1.00 0.00 H new ATOM 304 N LEU A 932 -5.945 3.153 -2.239 1.00 0.00 N ATOM 305 CA LEU A 932 -4.745 3.828 -1.722 1.00 0.00 C ATOM 306 C LEU A 932 -3.972 4.577 -2.811 1.00 0.00 C ATOM 307 O LEU A 932 -3.637 5.749 -2.645 1.00 0.00 O ATOM 308 CB LEU A 932 -3.823 2.828 -0.981 1.00 0.00 C ATOM 309 CG LEU A 932 -2.977 1.859 -1.807 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.601 2.449 -2.091 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.842 0.539 -1.065 1.00 0.00 C ATOM 0 H LEU A 932 -5.917 2.135 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.091 4.578 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.145 3.406 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.448 2.235 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.474 1.686 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.017 1.742 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.712 3.380 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.089 2.648 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.239 -0.150 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.360 0.710 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.831 0.109 -0.904 1.00 0.00 H new ATOM 323 N VAL A 933 -3.701 3.896 -3.931 1.00 0.00 N ATOM 324 CA VAL A 933 -2.898 4.468 -5.014 1.00 0.00 C ATOM 325 C VAL A 933 -3.600 5.665 -5.626 1.00 0.00 C ATOM 326 O VAL A 933 -2.969 6.664 -5.987 1.00 0.00 O ATOM 327 CB VAL A 933 -2.600 3.424 -6.120 1.00 0.00 C ATOM 328 CG1 VAL A 933 -1.980 4.081 -7.347 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.675 2.342 -5.589 1.00 0.00 C ATOM 0 H VAL A 933 -4.028 2.946 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 933 -1.951 4.786 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.547 2.973 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.783 3.323 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.668 4.825 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.045 4.566 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.475 1.616 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.737 2.792 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.149 1.840 -4.745 1.00 0.00 H new ATOM 339 N LYS A 934 -4.911 5.558 -5.733 1.00 0.00 N ATOM 340 CA LYS A 934 -5.704 6.650 -6.263 1.00 0.00 C ATOM 341 C LYS A 934 -5.524 7.895 -5.400 1.00 0.00 C ATOM 342 O LYS A 934 -5.191 8.957 -5.915 1.00 0.00 O ATOM 343 CB LYS A 934 -7.174 6.248 -6.356 1.00 0.00 C ATOM 344 CG LYS A 934 -8.124 7.399 -6.648 1.00 0.00 C ATOM 345 CD LYS A 934 -9.570 6.984 -6.440 1.00 0.00 C ATOM 346 CE LYS A 934 -9.908 6.819 -4.964 1.00 0.00 C ATOM 347 NZ LYS A 934 -10.052 8.126 -4.268 1.00 0.00 N ATOM 0 H LYS A 934 -5.446 4.733 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.359 6.882 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.283 5.496 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.469 5.778 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -7.888 8.242 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -7.984 7.738 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.229 7.731 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.757 6.046 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.835 6.254 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.127 6.235 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -9.334 8.202 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -9.923 8.899 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.000 8.192 -3.846 1.00 0.00 H new ATOM 361 N ALA A 935 -5.706 7.750 -4.087 1.00 0.00 N ATOM 362 CA ALA A 935 -5.520 8.863 -3.152 1.00 0.00 C ATOM 363 C ALA A 935 -4.160 9.542 -3.344 1.00 0.00 C ATOM 364 O ALA A 935 -4.064 10.768 -3.280 1.00 0.00 O ATOM 365 CB ALA A 935 -5.668 8.376 -1.717 1.00 0.00 C ATOM 0 H ALA A 935 -5.982 6.873 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.292 9.603 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.528 9.213 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.664 7.955 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.919 7.611 -1.513 1.00 0.00 H new ATOM 371 N VAL A 936 -3.128 8.728 -3.588 1.00 0.00 N ATOM 372 CA VAL A 936 -1.765 9.210 -3.855 1.00 0.00 C ATOM 373 C VAL A 936 -1.754 10.351 -4.873 1.00 0.00 C ATOM 374 O VAL A 936 -1.607 11.515 -4.509 1.00 0.00 O ATOM 375 CB VAL A 936 -0.876 8.062 -4.384 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.507 8.563 -4.771 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.781 6.942 -3.360 1.00 0.00 C ATOM 0 H VAL A 936 -3.213 7.712 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.371 9.581 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.345 7.665 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.106 7.730 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.415 9.317 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.992 9.002 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.151 6.143 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.347 7.328 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.777 6.551 -3.155 1.00 0.00 H new ATOM 387 N ILE A 937 -1.917 10.010 -6.139 1.00 0.00 N ATOM 388 CA ILE A 937 -1.859 10.988 -7.225 1.00 0.00 C ATOM 389 C ILE A 937 -3.046 11.951 -7.199 1.00 0.00 C ATOM 390 O ILE A 937 -2.880 13.168 -7.396 1.00 0.00 O ATOM 391 CB ILE A 937 -1.818 10.284 -8.596 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.990 9.298 -8.716 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.484 9.573 -8.785 1.00 0.00 C ATOM 394 CD1 ILE A 937 -3.097 8.627 -10.068 1.00 0.00 C ATOM 0 H ILE A 937 -2.093 9.054 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.945 11.562 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.917 11.031 -9.383 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.885 8.531 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.920 9.829 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.469 9.080 -9.757 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.326 10.300 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.354 8.829 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.949 7.947 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.235 9.384 -10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -2.184 8.066 -10.269 1.00 0.00 H new ATOM 406 N GLU A 938 -4.223 11.418 -6.916 1.00 0.00 N ATOM 407 CA GLU A 938 -5.459 12.183 -7.035 1.00 0.00 C ATOM 408 C GLU A 938 -5.453 13.378 -6.104 1.00 0.00 C ATOM 409 O GLU A 938 -5.666 14.512 -6.529 1.00 0.00 O ATOM 410 CB GLU A 938 -6.667 11.291 -6.740 1.00 0.00 C ATOM 411 CG GLU A 938 -7.972 12.046 -6.537 1.00 0.00 C ATOM 412 CD GLU A 938 -9.158 11.117 -6.401 1.00 0.00 C ATOM 413 OE1 GLU A 938 -9.291 10.459 -5.346 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.969 11.048 -7.348 1.00 0.00 O ATOM 0 H GLU A 938 -4.352 10.456 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.530 12.550 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.793 10.587 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.459 10.703 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -7.895 12.666 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.135 12.718 -7.379 1.00 0.00 H new ATOM 421 N MET A 939 -5.194 13.139 -4.840 1.00 0.00 N ATOM 422 CA MET A 939 -5.209 14.223 -3.888 1.00 0.00 C ATOM 423 C MET A 939 -3.949 15.068 -4.014 1.00 0.00 C ATOM 424 O MET A 939 -3.977 16.265 -3.744 1.00 0.00 O ATOM 425 CB MET A 939 -5.384 13.704 -2.463 1.00 0.00 C ATOM 426 CG MET A 939 -6.728 13.028 -2.223 1.00 0.00 C ATOM 427 SD MET A 939 -6.998 12.590 -0.495 1.00 0.00 S ATOM 428 CE MET A 939 -7.076 14.213 0.263 1.00 0.00 C ATOM 0 H MET A 939 -4.974 12.221 -4.452 1.00 0.00 H new ATOM 0 HA MET A 939 -6.066 14.858 -4.114 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.585 12.996 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.275 14.535 -1.766 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.527 13.693 -2.553 1.00 0.00 H new ATOM 0 HG3 MET A 939 -6.790 12.128 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 939 -7.594 14.143 1.219 1.00 0.00 H new ATOM 0 HE2 MET A 939 -6.065 14.588 0.424 1.00 0.00 H new ATOM 0 HE3 MET A 939 -7.616 14.895 -0.393 1.00 0.00 H new ATOM 438 N SER A 940 -2.871 14.435 -4.487 1.00 0.00 N ATOM 439 CA SER A 940 -1.536 15.030 -4.489 1.00 0.00 C ATOM 440 C SER A 940 -1.510 16.398 -5.150 1.00 0.00 C ATOM 441 O SER A 940 -0.888 17.337 -4.657 1.00 0.00 O ATOM 442 CB SER A 940 -0.573 14.136 -5.263 1.00 0.00 C ATOM 443 OG SER A 940 0.757 14.627 -5.181 1.00 0.00 O ATOM 0 H SER A 940 -2.902 13.494 -4.879 1.00 0.00 H new ATOM 0 HA SER A 940 -1.242 15.133 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 940 -0.615 13.122 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.881 14.083 -6.307 1.00 0.00 H new ATOM 0 HG SER A 940 1.032 14.974 -6.055 1.00 0.00 H new ATOM 600 N TYR A 951 -4.123 17.033 4.867 1.00 0.00 N ATOM 601 CA TYR A 951 -3.031 16.072 4.762 1.00 0.00 C ATOM 602 C TYR A 951 -3.173 14.985 5.820 1.00 0.00 C ATOM 603 O TYR A 951 -3.070 13.804 5.520 1.00 0.00 O ATOM 604 CB TYR A 951 -1.669 16.777 4.917 1.00 0.00 C ATOM 605 CG TYR A 951 -1.330 17.818 3.851 1.00 0.00 C ATOM 606 CD1 TYR A 951 -2.198 18.860 3.548 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.116 17.783 3.170 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.877 19.809 2.613 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.198 18.741 2.227 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.688 19.747 1.959 1.00 0.00 C ATOM 611 OH TYR A 951 -0.390 20.695 1.025 1.00 0.00 O ATOM 0 HA TYR A 951 -3.078 15.613 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.642 17.263 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.887 16.018 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.146 18.923 4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.591 16.994 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.571 20.608 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.141 18.696 1.702 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.205 21.181 0.780 1.00 0.00 H new ATOM 621 N VAL A 952 -3.390 15.405 7.057 1.00 0.00 N ATOM 622 CA VAL A 952 -3.671 14.493 8.158 1.00 0.00 C ATOM 623 C VAL A 952 -4.933 13.667 7.878 1.00 0.00 C ATOM 624 O VAL A 952 -4.896 12.447 7.959 1.00 0.00 O ATOM 625 CB VAL A 952 -3.828 15.251 9.496 1.00 0.00 C ATOM 626 CG1 VAL A 952 -3.962 14.280 10.658 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.662 16.202 9.718 1.00 0.00 C ATOM 0 H VAL A 952 -3.376 16.388 7.327 1.00 0.00 H new ATOM 0 HA VAL A 952 -2.818 13.819 8.243 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.743 15.842 9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.071 14.838 11.588 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -4.839 13.651 10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.072 13.654 10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.794 16.724 10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.731 15.636 9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.625 16.928 8.906 1.00 0.00 H new ATOM 637 N PRO A 953 -6.083 14.305 7.571 1.00 0.00 N ATOM 638 CA PRO A 953 -7.280 13.581 7.114 1.00 0.00 C ATOM 639 C PRO A 953 -6.973 12.584 5.983 1.00 0.00 C ATOM 640 O PRO A 953 -7.490 11.465 5.960 1.00 0.00 O ATOM 641 CB PRO A 953 -8.165 14.717 6.617 1.00 0.00 C ATOM 642 CG PRO A 953 -7.848 15.827 7.545 1.00 0.00 C ATOM 643 CD PRO A 953 -6.360 15.750 7.732 1.00 0.00 C ATOM 0 HA PRO A 953 -7.729 12.968 7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.939 14.980 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.221 14.450 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -8.146 16.789 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.373 15.713 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.828 16.349 6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -6.057 16.113 8.714 1.00 0.00 H new ATOM 651 N MET A 954 -6.128 13.015 5.045 1.00 0.00 N ATOM 652 CA MET A 954 -5.651 12.167 3.950 1.00 0.00 C ATOM 653 C MET A 954 -4.817 11.012 4.497 1.00 0.00 C ATOM 654 O MET A 954 -4.892 9.885 4.006 1.00 0.00 O ATOM 655 CB MET A 954 -4.829 13.002 2.967 1.00 0.00 C ATOM 656 CG MET A 954 -4.198 12.195 1.847 1.00 0.00 C ATOM 657 SD MET A 954 -3.436 13.235 0.587 1.00 0.00 S ATOM 658 CE MET A 954 -2.819 11.981 -0.533 1.00 0.00 C ATOM 0 H MET A 954 -5.754 13.964 5.023 1.00 0.00 H new ATOM 0 HA MET A 954 -6.510 11.750 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.471 13.768 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.042 13.520 3.516 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.445 11.527 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 954 -4.959 11.567 1.383 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.460 12.454 -1.447 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.000 11.440 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 954 -3.621 11.284 -0.776 1.00 0.00 H new ATOM 668 N VAL A 955 -4.027 11.309 5.523 1.00 0.00 N ATOM 669 CA VAL A 955 -3.340 10.282 6.304 1.00 0.00 C ATOM 670 C VAL A 955 -4.333 9.226 6.784 1.00 0.00 C ATOM 671 O VAL A 955 -4.098 8.028 6.635 1.00 0.00 O ATOM 672 CB VAL A 955 -2.614 10.886 7.533 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.214 9.803 8.523 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.388 11.673 7.103 1.00 0.00 C ATOM 0 H VAL A 955 -3.844 12.262 5.837 1.00 0.00 H new ATOM 0 HA VAL A 955 -2.597 9.825 5.651 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.312 11.563 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -1.707 10.257 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.105 9.279 8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.543 9.095 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.895 12.087 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.698 11.013 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -1.690 12.484 6.440 1.00 0.00 H new ATOM 684 N LYS A 956 -5.448 9.675 7.333 1.00 0.00 N ATOM 685 CA LYS A 956 -6.496 8.768 7.786 1.00 0.00 C ATOM 686 C LYS A 956 -7.104 7.992 6.614 1.00 0.00 C ATOM 687 O LYS A 956 -7.533 6.851 6.770 1.00 0.00 O ATOM 688 CB LYS A 956 -7.590 9.538 8.530 1.00 0.00 C ATOM 689 CG LYS A 956 -7.260 9.846 9.989 1.00 0.00 C ATOM 690 CD LYS A 956 -6.093 10.814 10.123 1.00 0.00 C ATOM 691 CE LYS A 956 -5.760 11.114 11.578 1.00 0.00 C ATOM 692 NZ LYS A 956 -5.327 9.898 12.312 1.00 0.00 N ATOM 0 H LYS A 956 -5.654 10.663 7.477 1.00 0.00 H new ATOM 0 HA LYS A 956 -6.041 8.051 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -7.778 10.475 8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.514 8.961 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -8.138 10.269 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -7.022 8.918 10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -5.216 10.394 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -6.333 11.744 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -4.970 11.864 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -6.634 11.542 12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.919 10.173 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -6.147 9.277 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.612 9.391 11.753 1.00 0.00 H new ATOM 706 N GLU A 957 -7.104 8.609 5.437 1.00 0.00 N ATOM 707 CA GLU A 957 -7.741 8.049 4.261 1.00 0.00 C ATOM 708 C GLU A 957 -6.869 6.957 3.631 1.00 0.00 C ATOM 709 O GLU A 957 -7.342 5.861 3.325 1.00 0.00 O ATOM 710 CB GLU A 957 -7.989 9.197 3.283 1.00 0.00 C ATOM 711 CG GLU A 957 -8.140 8.782 1.839 1.00 0.00 C ATOM 712 CD GLU A 957 -9.478 8.141 1.533 1.00 0.00 C ATOM 713 OE1 GLU A 957 -10.519 8.791 1.771 1.00 0.00 O ATOM 714 OE2 GLU A 957 -9.495 6.994 1.043 1.00 0.00 O ATOM 0 H GLU A 957 -6.660 9.513 5.276 1.00 0.00 H new ATOM 0 HA GLU A 957 -8.685 7.575 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -8.891 9.727 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -7.162 9.904 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -8.011 9.657 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -7.344 8.082 1.585 1.00 0.00 H new ATOM 721 N VAL A 958 -5.580 7.243 3.487 1.00 0.00 N ATOM 722 CA VAL A 958 -4.654 6.288 2.893 1.00 0.00 C ATOM 723 C VAL A 958 -4.207 5.262 3.930 1.00 0.00 C ATOM 724 O VAL A 958 -3.874 4.125 3.588 1.00 0.00 O ATOM 725 CB VAL A 958 -3.433 6.990 2.248 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.601 7.719 3.293 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.578 5.996 1.474 1.00 0.00 C ATOM 0 H VAL A 958 -5.154 8.125 3.772 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.184 5.769 2.095 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.812 7.732 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.751 8.202 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.215 8.473 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.240 7.005 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.728 6.515 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.218 5.221 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.175 5.539 0.685 1.00 0.00 H new ATOM 737 N GLY A 959 -4.230 5.648 5.200 1.00 0.00 N ATOM 738 CA GLY A 959 -4.009 4.689 6.261 1.00 0.00 C ATOM 739 C GLY A 959 -5.151 3.695 6.324 1.00 0.00 C ATOM 740 O GLY A 959 -4.953 2.515 6.609 1.00 0.00 O ATOM 0 H GLY A 959 -4.397 6.605 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.069 4.162 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -3.918 5.208 7.215 1.00 0.00 H new ATOM 744 N LEU A 960 -6.350 4.187 6.023 1.00 0.00 N ATOM 745 CA LEU A 960 -7.543 3.354 5.938 1.00 0.00 C ATOM 746 C LEU A 960 -7.400 2.342 4.804 1.00 0.00 C ATOM 747 O LEU A 960 -7.930 1.234 4.878 1.00 0.00 O ATOM 748 CB LEU A 960 -8.777 4.230 5.698 1.00 0.00 C ATOM 749 CG LEU A 960 -10.125 3.519 5.822 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.437 3.215 7.276 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.229 4.361 5.202 1.00 0.00 C ATOM 0 H LEU A 960 -6.520 5.174 5.831 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.662 2.817 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -8.756 5.058 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -8.705 4.663 4.700 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.067 2.575 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.400 2.709 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.660 2.572 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.476 4.146 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.182 3.840 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.286 5.321 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.011 4.526 4.147 1.00 0.00 H new ATOM 763 N ALA A 961 -6.664 2.717 3.769 1.00 0.00 N ATOM 764 CA ALA A 961 -6.442 1.834 2.644 1.00 0.00 C ATOM 765 C ALA A 961 -5.417 0.776 3.013 1.00 0.00 C ATOM 766 O ALA A 961 -5.690 -0.411 2.903 1.00 0.00 O ATOM 767 CB ALA A 961 -6.006 2.628 1.427 1.00 0.00 C ATOM 0 H ALA A 961 -6.212 3.628 3.689 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.375 1.330 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -5.843 1.950 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -6.781 3.348 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.080 3.157 1.651 1.00 0.00 H new ATOM 773 N LEU A 962 -4.233 1.213 3.429 1.00 0.00 N ATOM 774 CA LEU A 962 -3.239 0.321 4.032 1.00 0.00 C ATOM 775 C LEU A 962 -3.838 -0.650 5.055 1.00 0.00 C ATOM 776 O LEU A 962 -3.519 -1.827 5.025 1.00 0.00 O ATOM 777 CB LEU A 962 -2.117 1.113 4.694 1.00 0.00 C ATOM 778 CG LEU A 962 -1.527 0.432 5.929 1.00 0.00 C ATOM 779 CD1 LEU A 962 -0.401 -0.512 5.539 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.054 1.453 6.945 1.00 0.00 C ATOM 0 H LEU A 962 -3.934 2.186 3.360 1.00 0.00 H new ATOM 0 HA LEU A 962 -2.841 -0.270 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.322 1.277 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.496 2.095 4.978 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.316 -0.157 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 962 0.004 -0.985 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -0.785 -1.278 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 962 0.387 0.049 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.640 0.939 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.287 2.084 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.895 2.071 7.258 1.00 0.00 H new ATOM 792 N ARG A 963 -4.664 -0.196 5.979 1.00 0.00 N ATOM 793 CA ARG A 963 -5.240 -1.141 6.935 1.00 0.00 C ATOM 794 C ARG A 963 -6.241 -2.062 6.250 1.00 0.00 C ATOM 795 O ARG A 963 -6.442 -3.193 6.684 1.00 0.00 O ATOM 796 CB ARG A 963 -5.901 -0.447 8.110 1.00 0.00 C ATOM 797 CG ARG A 963 -7.108 0.369 7.698 1.00 0.00 C ATOM 798 CD ARG A 963 -7.976 0.720 8.889 1.00 0.00 C ATOM 799 NE ARG A 963 -7.246 1.479 9.907 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.795 1.962 11.023 1.00 0.00 C ATOM 801 NH1 ARG A 963 -9.091 1.800 11.264 1.00 0.00 N ATOM 802 NH2 ARG A 963 -7.046 2.620 11.898 1.00 0.00 N ATOM 0 H ARG A 963 -4.946 0.778 6.093 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.411 -1.732 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -6.204 -1.193 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -5.176 0.204 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.779 1.284 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.696 -0.191 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.834 1.302 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.367 -0.196 9.333 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.252 1.650 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.676 1.302 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -9.501 2.173 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -6.051 2.756 11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -7.465 2.990 12.751 1.00 0.00 H new ATOM 816 N THR A 964 -6.850 -1.592 5.176 1.00 0.00 N ATOM 817 CA THR A 964 -7.685 -2.464 4.365 1.00 0.00 C ATOM 818 C THR A 964 -6.779 -3.472 3.670 1.00 0.00 C ATOM 819 O THR A 964 -7.137 -4.632 3.473 1.00 0.00 O ATOM 820 CB THR A 964 -8.533 -1.683 3.331 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.391 -0.755 4.010 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.388 -2.633 2.502 1.00 0.00 C ATOM 0 H THR A 964 -6.785 -0.628 4.848 1.00 0.00 H new ATOM 0 HA THR A 964 -8.398 -2.971 5.015 1.00 0.00 H new ATOM 0 HB THR A 964 -7.853 -1.148 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.858 -0.200 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 964 -9.975 -2.061 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 964 -8.743 -3.332 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.059 -3.186 3.159 1.00 0.00 H new ATOM 830 N LEU A 965 -5.575 -3.014 3.354 1.00 0.00 N ATOM 831 CA LEU A 965 -4.523 -3.870 2.828 1.00 0.00 C ATOM 832 C LEU A 965 -4.104 -4.879 3.873 1.00 0.00 C ATOM 833 O LEU A 965 -3.917 -6.058 3.586 1.00 0.00 O ATOM 834 CB LEU A 965 -3.307 -3.034 2.405 1.00 0.00 C ATOM 835 CG LEU A 965 -2.001 -3.822 2.304 1.00 0.00 C ATOM 836 CD1 LEU A 965 -1.494 -3.844 0.872 1.00 0.00 C ATOM 837 CD2 LEU A 965 -0.951 -3.255 3.242 1.00 0.00 C ATOM 0 H LEU A 965 -5.301 -2.037 3.456 1.00 0.00 H new ATOM 0 HA LEU A 965 -4.912 -4.393 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -3.516 -2.575 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.173 -2.223 3.121 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.202 -4.849 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.564 -4.410 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.239 -4.314 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -1.315 -2.823 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.032 -3.833 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.753 -2.215 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.313 -3.309 4.269 1.00 0.00 H new ATOM 849 N LEU A 966 -3.992 -4.411 5.096 1.00 0.00 N ATOM 850 CA LEU A 966 -3.498 -5.234 6.163 1.00 0.00 C ATOM 851 C LEU A 966 -4.533 -6.296 6.486 1.00 0.00 C ATOM 852 O LEU A 966 -4.211 -7.453 6.646 1.00 0.00 O ATOM 853 CB LEU A 966 -3.185 -4.369 7.390 1.00 0.00 C ATOM 854 CG LEU A 966 -2.372 -5.064 8.485 1.00 0.00 C ATOM 855 CD1 LEU A 966 -1.317 -4.121 9.045 1.00 0.00 C ATOM 856 CD2 LEU A 966 -3.282 -5.561 9.598 1.00 0.00 C ATOM 0 H LEU A 966 -4.239 -3.460 5.371 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.574 -5.726 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.641 -3.484 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -4.125 -4.024 7.821 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.870 -5.924 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.748 -4.632 9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.643 -3.813 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.803 -3.242 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -2.683 -6.052 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.814 -4.717 10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -4.001 -6.271 9.190 1.00 0.00 H new ATOM 868 N ALA A 967 -5.794 -5.883 6.529 1.00 0.00 N ATOM 869 CA ALA A 967 -6.889 -6.795 6.818 1.00 0.00 C ATOM 870 C ALA A 967 -7.070 -7.813 5.699 1.00 0.00 C ATOM 871 O ALA A 967 -7.226 -8.994 5.974 1.00 0.00 O ATOM 872 CB ALA A 967 -8.179 -6.027 7.069 1.00 0.00 C ATOM 0 H ALA A 967 -6.082 -4.918 6.366 1.00 0.00 H new ATOM 0 HA ALA A 967 -6.637 -7.343 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.985 -6.729 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -8.045 -5.358 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -8.433 -5.443 6.184 1.00 0.00 H new ATOM 878 N THR A 968 -7.021 -7.374 4.449 1.00 0.00 N ATOM 879 CA THR A 968 -7.174 -8.291 3.321 1.00 0.00 C ATOM 880 C THR A 968 -6.051 -9.333 3.297 1.00 0.00 C ATOM 881 O THR A 968 -6.306 -10.530 3.179 1.00 0.00 O ATOM 882 CB THR A 968 -7.216 -7.537 1.975 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.146 -6.592 1.906 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.539 -6.815 1.798 1.00 0.00 C ATOM 0 H THR A 968 -6.878 -6.398 4.188 1.00 0.00 H new ATOM 0 HA THR A 968 -8.126 -8.803 3.457 1.00 0.00 H new ATOM 0 HB THR A 968 -7.108 -8.270 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.397 -5.778 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.543 -6.292 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.354 -7.539 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.672 -6.095 2.606 1.00 0.00 H new ATOM 892 N VAL A 969 -4.820 -8.870 3.428 1.00 0.00 N ATOM 893 CA VAL A 969 -3.649 -9.752 3.458 1.00 0.00 C ATOM 894 C VAL A 969 -3.554 -10.531 4.781 1.00 0.00 C ATOM 895 O VAL A 969 -3.132 -11.684 4.783 1.00 0.00 O ATOM 896 CB VAL A 969 -2.343 -8.964 3.203 1.00 0.00 C ATOM 897 CG1 VAL A 969 -1.139 -9.890 3.147 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.447 -8.165 1.914 1.00 0.00 C ATOM 0 H VAL A 969 -4.597 -7.879 3.517 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.778 -10.474 2.652 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.203 -8.277 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -0.238 -9.304 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -1.043 -10.420 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -1.271 -10.610 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.519 -7.617 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.620 -8.843 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -3.276 -7.461 1.988 1.00 0.00 H new ATOM 908 N ASP A 970 -4.016 -9.954 5.883 1.00 0.00 N ATOM 909 CA ASP A 970 -3.981 -10.663 7.169 1.00 0.00 C ATOM 910 C ASP A 970 -4.986 -11.789 7.121 1.00 0.00 C ATOM 911 O ASP A 970 -4.730 -12.912 7.563 1.00 0.00 O ATOM 912 CB ASP A 970 -4.316 -9.745 8.351 1.00 0.00 C ATOM 913 CG ASP A 970 -4.459 -10.507 9.652 1.00 0.00 C ATOM 914 OD1 ASP A 970 -3.429 -10.784 10.304 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.604 -10.836 10.033 1.00 0.00 O ATOM 0 H ASP A 970 -4.413 -9.015 5.920 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.969 -11.037 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.533 -8.994 8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -5.243 -9.212 8.142 1.00 0.00 H new ATOM 920 N GLU A 971 -6.122 -11.469 6.536 1.00 0.00 N ATOM 921 CA GLU A 971 -7.202 -12.409 6.369 1.00 0.00 C ATOM 922 C GLU A 971 -6.754 -13.529 5.438 1.00 0.00 C ATOM 923 O GLU A 971 -7.118 -14.690 5.615 1.00 0.00 O ATOM 924 CB GLU A 971 -8.394 -11.653 5.800 1.00 0.00 C ATOM 925 CG GLU A 971 -9.589 -12.514 5.435 1.00 0.00 C ATOM 926 CD GLU A 971 -10.644 -11.736 4.676 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.540 -11.642 3.437 1.00 0.00 O ATOM 928 OE2 GLU A 971 -11.576 -11.202 5.317 1.00 0.00 O ATOM 0 H GLU A 971 -6.319 -10.541 6.161 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.486 -12.861 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.712 -10.907 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -8.070 -11.112 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.256 -13.357 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -10.028 -12.927 6.343 1.00 0.00 H new ATOM 935 N SER A 972 -5.920 -13.157 4.470 1.00 0.00 N ATOM 936 CA SER A 972 -5.354 -14.097 3.511 1.00 0.00 C ATOM 937 C SER A 972 -4.317 -15.003 4.168 1.00 0.00 C ATOM 938 O SER A 972 -4.007 -16.077 3.652 1.00 0.00 O ATOM 939 CB SER A 972 -4.719 -13.334 2.345 1.00 0.00 C ATOM 940 OG SER A 972 -5.690 -12.555 1.666 1.00 0.00 O ATOM 0 H SER A 972 -5.618 -12.193 4.330 1.00 0.00 H new ATOM 0 HA SER A 972 -6.162 -14.726 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.923 -12.689 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 972 -4.260 -14.038 1.651 1.00 0.00 H new ATOM 0 HG SER A 972 -5.821 -11.708 2.142 1.00 0.00 H new ATOM 946 N LEU A 973 -3.810 -14.580 5.325 1.00 0.00 N ATOM 947 CA LEU A 973 -2.760 -15.314 6.018 1.00 0.00 C ATOM 948 C LEU A 973 -3.277 -16.679 6.482 1.00 0.00 C ATOM 949 O LEU A 973 -2.620 -17.691 6.252 1.00 0.00 O ATOM 950 CB LEU A 973 -2.212 -14.479 7.190 1.00 0.00 C ATOM 951 CG LEU A 973 -1.080 -15.109 8.007 1.00 0.00 C ATOM 952 CD1 LEU A 973 -0.151 -14.029 8.539 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.641 -15.917 9.169 1.00 0.00 C ATOM 0 H LEU A 973 -4.112 -13.730 5.801 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.936 -15.496 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.858 -13.527 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -3.038 -14.257 7.866 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.519 -15.776 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 973 0.649 -14.490 9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.278 -13.475 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.713 -13.347 9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.820 -16.356 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -2.223 -15.264 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -2.282 -16.711 8.785 1.00 0.00 H new ATOM 965 N PRO A 974 -4.443 -16.750 7.163 1.00 0.00 N ATOM 966 CA PRO A 974 -5.080 -18.033 7.464 1.00 0.00 C ATOM 967 C PRO A 974 -5.898 -18.586 6.293 1.00 0.00 C ATOM 968 O PRO A 974 -6.333 -19.734 6.340 1.00 0.00 O ATOM 969 CB PRO A 974 -5.987 -17.730 8.667 1.00 0.00 C ATOM 970 CG PRO A 974 -5.718 -16.303 9.022 1.00 0.00 C ATOM 971 CD PRO A 974 -5.192 -15.659 7.775 1.00 0.00 C ATOM 0 HA PRO A 974 -4.336 -18.803 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -7.037 -17.880 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.763 -18.391 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.627 -15.808 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.993 -16.233 9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.995 -15.303 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.557 -14.801 7.996 1.00 0.00 H new ATOM 979 N VAL A 975 -6.107 -17.791 5.246 1.00 0.00 N ATOM 980 CA VAL A 975 -6.719 -18.318 4.027 1.00 0.00 C ATOM 981 C VAL A 975 -5.770 -19.322 3.382 1.00 0.00 C ATOM 982 O VAL A 975 -6.151 -20.452 3.080 1.00 0.00 O ATOM 983 CB VAL A 975 -7.082 -17.208 3.011 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.351 -17.793 1.628 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.301 -16.432 3.483 1.00 0.00 C ATOM 0 H VAL A 975 -5.868 -16.800 5.215 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.653 -18.803 4.312 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.230 -16.532 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -7.603 -16.990 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.460 -18.312 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.182 -18.496 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.542 -15.656 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.148 -17.111 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.088 -15.972 4.448 1.00 0.00 H new ATOM 1049 N THR A 980 2.850 -19.549 2.870 1.00 0.00 N ATOM 1050 CA THR A 980 2.342 -18.318 2.267 1.00 0.00 C ATOM 1051 C THR A 980 2.203 -17.243 3.348 1.00 0.00 C ATOM 1052 O THR A 980 2.195 -16.041 3.075 1.00 0.00 O ATOM 1053 CB THR A 980 0.985 -18.569 1.576 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.126 -19.629 0.625 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.478 -17.322 0.866 1.00 0.00 C ATOM 0 HA THR A 980 3.046 -17.976 1.508 1.00 0.00 H new ATOM 0 HB THR A 980 0.261 -18.840 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.865 -20.214 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.479 -17.537 0.391 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.351 -16.517 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.199 -17.017 0.107 1.00 0.00 H new ATOM 1063 N HIS A 981 2.171 -17.717 4.583 1.00 0.00 N ATOM 1064 CA HIS A 981 2.077 -16.894 5.764 1.00 0.00 C ATOM 1065 C HIS A 981 3.222 -15.876 5.830 1.00 0.00 C ATOM 1066 O HIS A 981 3.021 -14.751 6.270 1.00 0.00 O ATOM 1067 CB HIS A 981 2.071 -17.850 6.973 1.00 0.00 C ATOM 1068 CG HIS A 981 2.448 -17.251 8.287 1.00 0.00 C ATOM 1069 ND1 HIS A 981 1.578 -17.112 9.342 1.00 0.00 N ATOM 1070 CD2 HIS A 981 3.635 -16.800 8.716 1.00 0.00 C ATOM 1071 CE1 HIS A 981 2.222 -16.591 10.368 1.00 0.00 C ATOM 1072 NE2 HIS A 981 3.480 -16.389 10.016 1.00 0.00 N ATOM 0 H HIS A 981 2.211 -18.715 4.791 1.00 0.00 H new ATOM 0 HA HIS A 981 1.164 -16.299 5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.073 -18.279 7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 981 2.754 -18.673 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 981 4.549 -16.766 8.142 1.00 0.00 H new ATOM 0 HE1 HIS A 981 1.794 -16.367 11.334 1.00 0.00 H new ATOM 0 HE2 HIS A 981 4.210 -15.995 10.609 1.00 0.00 H new ATOM 1081 N ARG A 982 4.410 -16.257 5.365 1.00 0.00 N ATOM 1082 CA ARG A 982 5.590 -15.399 5.505 1.00 0.00 C ATOM 1083 C ARG A 982 5.689 -14.363 4.382 1.00 0.00 C ATOM 1084 O ARG A 982 6.380 -13.354 4.542 1.00 0.00 O ATOM 1085 CB ARG A 982 6.880 -16.206 5.627 1.00 0.00 C ATOM 1086 CG ARG A 982 7.299 -16.885 4.331 1.00 0.00 C ATOM 1087 CD ARG A 982 8.473 -17.822 4.543 1.00 0.00 C ATOM 1088 NE ARG A 982 8.112 -18.977 5.362 1.00 0.00 N ATOM 1089 CZ ARG A 982 8.466 -20.228 5.075 1.00 0.00 C ATOM 1090 NH1 ARG A 982 9.188 -20.488 3.989 1.00 0.00 N ATOM 1091 NH2 ARG A 982 8.108 -21.215 5.886 1.00 0.00 N ATOM 0 H ARG A 982 4.583 -17.144 4.892 1.00 0.00 H new ATOM 0 HA ARG A 982 5.459 -14.853 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.682 -15.546 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.753 -16.964 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.456 -17.444 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.566 -16.128 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 982 8.842 -18.165 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.288 -17.279 5.021 1.00 0.00 H new ATOM 0 HE ARG A 982 7.557 -18.816 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 982 9.473 -19.727 3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 982 9.457 -21.448 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 982 7.564 -21.014 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 982 8.377 -22.175 5.670 1.00 0.00 H new ATOM 1105 N GLU A 983 5.009 -14.579 3.263 1.00 0.00 N ATOM 1106 CA GLU A 983 4.923 -13.538 2.240 1.00 0.00 C ATOM 1107 C GLU A 983 3.948 -12.480 2.703 1.00 0.00 C ATOM 1108 O GLU A 983 4.121 -11.287 2.462 1.00 0.00 O ATOM 1109 CB GLU A 983 4.452 -14.096 0.901 1.00 0.00 C ATOM 1110 CG GLU A 983 5.562 -14.219 -0.126 1.00 0.00 C ATOM 1111 CD GLU A 983 6.714 -15.063 0.360 1.00 0.00 C ATOM 1112 OE1 GLU A 983 6.666 -16.291 0.180 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.676 -14.500 0.916 1.00 0.00 O ATOM 0 H GLU A 983 4.518 -15.445 3.041 1.00 0.00 H new ATOM 0 HA GLU A 983 5.919 -13.118 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.006 -15.077 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.669 -13.451 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.159 -14.654 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.928 -13.224 -0.381 1.00 0.00 H new ATOM 1120 N ILE A 984 2.942 -12.946 3.411 1.00 0.00 N ATOM 1121 CA ILE A 984 1.922 -12.098 3.986 1.00 0.00 C ATOM 1122 C ILE A 984 2.499 -11.337 5.170 1.00 0.00 C ATOM 1123 O ILE A 984 2.101 -10.207 5.450 1.00 0.00 O ATOM 1124 CB ILE A 984 0.710 -12.956 4.390 1.00 0.00 C ATOM 1125 CG1 ILE A 984 -0.022 -13.422 3.132 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.217 -12.214 5.333 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.961 -14.577 3.364 1.00 0.00 C ATOM 0 H ILE A 984 2.808 -13.938 3.606 1.00 0.00 H new ATOM 0 HA ILE A 984 1.584 -11.365 3.254 1.00 0.00 H new ATOM 0 HB ILE A 984 1.066 -13.829 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.586 -12.585 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.714 -13.710 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -1.060 -12.855 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.326 -11.942 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.585 -11.311 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -1.442 -14.849 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.401 -15.431 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.721 -14.288 4.090 1.00 0.00 H new ATOM 1139 N GLU A 985 3.476 -11.933 5.829 1.00 0.00 N ATOM 1140 CA GLU A 985 4.210 -11.240 6.871 1.00 0.00 C ATOM 1141 C GLU A 985 4.952 -10.051 6.277 1.00 0.00 C ATOM 1142 O GLU A 985 4.877 -8.926 6.781 1.00 0.00 O ATOM 1143 CB GLU A 985 5.218 -12.177 7.539 1.00 0.00 C ATOM 1144 CG GLU A 985 4.567 -13.271 8.365 1.00 0.00 C ATOM 1145 CD GLU A 985 5.563 -14.070 9.179 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.548 -14.575 8.603 1.00 0.00 O ATOM 1147 OE2 GLU A 985 5.355 -14.211 10.403 1.00 0.00 O ATOM 0 H GLU A 985 3.779 -12.893 5.662 1.00 0.00 H new ATOM 0 HA GLU A 985 3.496 -10.896 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 985 5.842 -12.634 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 985 5.878 -11.592 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 985 3.833 -12.824 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 985 4.024 -13.945 7.702 1.00 0.00 H new ATOM 1154 N MET A 986 5.645 -10.313 5.171 1.00 0.00 N ATOM 1155 CA MET A 986 6.532 -9.331 4.579 1.00 0.00 C ATOM 1156 C MET A 986 5.737 -8.201 3.930 1.00 0.00 C ATOM 1157 O MET A 986 6.015 -7.025 4.132 1.00 0.00 O ATOM 1158 CB MET A 986 7.437 -10.003 3.541 1.00 0.00 C ATOM 1159 CG MET A 986 8.387 -9.042 2.851 1.00 0.00 C ATOM 1160 SD MET A 986 9.404 -9.839 1.594 1.00 0.00 S ATOM 1161 CE MET A 986 10.373 -10.957 2.605 1.00 0.00 C ATOM 0 H MET A 986 5.605 -11.201 4.670 1.00 0.00 H new ATOM 0 HA MET A 986 7.149 -8.903 5.369 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.017 -10.786 4.029 1.00 0.00 H new ATOM 0 HB3 MET A 986 6.815 -10.489 2.789 1.00 0.00 H new ATOM 0 HG2 MET A 986 7.812 -8.239 2.390 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.035 -8.582 3.597 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.251 -11.283 2.048 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.689 -10.445 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 986 9.769 -11.825 2.869 1.00 0.00 H new ATOM 1171 N ALA A 987 4.736 -8.596 3.152 1.00 0.00 N ATOM 1172 CA ALA A 987 3.926 -7.668 2.373 1.00 0.00 C ATOM 1173 C ALA A 987 3.197 -6.673 3.261 1.00 0.00 C ATOM 1174 O ALA A 987 3.265 -5.466 3.038 1.00 0.00 O ATOM 1175 CB ALA A 987 2.930 -8.442 1.531 1.00 0.00 C ATOM 0 H ALA A 987 4.463 -9.573 3.044 1.00 0.00 H new ATOM 0 HA ALA A 987 4.594 -7.101 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 987 2.326 -7.745 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 987 3.465 -9.109 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.282 -9.029 2.182 1.00 0.00 H new ATOM 1181 N GLN A 988 2.508 -7.182 4.272 1.00 0.00 N ATOM 1182 CA GLN A 988 1.823 -6.309 5.224 1.00 0.00 C ATOM 1183 C GLN A 988 2.807 -5.337 5.869 1.00 0.00 C ATOM 1184 O GLN A 988 2.455 -4.205 6.200 1.00 0.00 O ATOM 1185 CB GLN A 988 1.127 -7.129 6.310 1.00 0.00 C ATOM 1186 CG GLN A 988 0.008 -8.001 5.784 1.00 0.00 C ATOM 1187 CD GLN A 988 -0.730 -8.738 6.882 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -1.768 -8.121 7.406 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 -0.367 -9.848 7.259 1.00 0.00 N flip ATOM 0 H GLN A 988 2.407 -8.180 4.456 1.00 0.00 H new ATOM 0 HA GLN A 988 1.072 -5.742 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 988 1.865 -7.759 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.726 -6.452 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 988 -0.698 -7.382 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 988 0.418 -8.725 5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 988 0.443 -10.293 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.875 -10.325 8.004 1.00 0.00 H new ATOM 1198 N LYS A 989 4.048 -5.779 6.007 1.00 0.00 N ATOM 1199 CA LYS A 989 5.094 -4.980 6.624 1.00 0.00 C ATOM 1200 C LYS A 989 5.678 -3.921 5.677 1.00 0.00 C ATOM 1201 O LYS A 989 6.003 -2.815 6.106 1.00 0.00 O ATOM 1202 CB LYS A 989 6.201 -5.911 7.122 1.00 0.00 C ATOM 1203 CG LYS A 989 7.615 -5.452 6.789 1.00 0.00 C ATOM 1204 CD LYS A 989 8.659 -6.480 7.202 1.00 0.00 C ATOM 1205 CE LYS A 989 8.634 -6.757 8.698 1.00 0.00 C ATOM 1206 NZ LYS A 989 9.629 -7.794 9.082 1.00 0.00 N ATOM 0 H LYS A 989 4.357 -6.700 5.695 1.00 0.00 H new ATOM 0 HA LYS A 989 4.647 -4.435 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 989 6.112 -6.014 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.045 -6.901 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.693 -5.266 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.818 -4.507 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.486 -7.409 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 989 9.649 -6.124 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 989 8.840 -5.835 9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 989 7.636 -7.084 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 9.583 -7.956 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 9.417 -8.681 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 10.584 -7.471 8.825 1.00 0.00 H new ATOM 1220 N LEU A 990 5.879 -4.270 4.408 1.00 0.00 N ATOM 1221 CA LEU A 990 6.470 -3.310 3.483 1.00 0.00 C ATOM 1222 C LEU A 990 5.638 -2.047 3.331 1.00 0.00 C ATOM 1223 O LEU A 990 6.145 -0.942 3.549 1.00 0.00 O ATOM 1224 CB LEU A 990 6.784 -3.938 2.137 1.00 0.00 C ATOM 1225 CG LEU A 990 8.245 -4.337 2.018 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.503 -5.659 2.718 1.00 0.00 C ATOM 1227 CD2 LEU A 990 8.686 -4.390 0.564 1.00 0.00 C ATOM 0 H LEU A 990 5.650 -5.180 4.008 1.00 0.00 H new ATOM 0 HA LEU A 990 7.416 -3.004 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 990 6.156 -4.817 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.535 -3.234 1.343 1.00 0.00 H new ATOM 0 HG LEU A 990 8.842 -3.572 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 990 9.556 -5.924 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.250 -5.567 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.889 -6.437 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 990 9.736 -4.678 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.082 -5.121 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 990 8.557 -3.408 0.109 1.00 0.00 H new ATOM 1239 N LEU A 991 4.368 -2.188 2.997 1.00 0.00 N ATOM 1240 CA LEU A 991 3.508 -1.021 2.896 1.00 0.00 C ATOM 1241 C LEU A 991 3.346 -0.393 4.270 1.00 0.00 C ATOM 1242 O LEU A 991 3.112 0.807 4.397 1.00 0.00 O ATOM 1243 CB LEU A 991 2.140 -1.386 2.336 1.00 0.00 C ATOM 1244 CG LEU A 991 1.420 -0.230 1.645 1.00 0.00 C ATOM 1245 CD1 LEU A 991 2.173 0.171 0.390 1.00 0.00 C ATOM 1246 CD2 LEU A 991 -0.015 -0.599 1.311 1.00 0.00 C ATOM 0 H LEU A 991 3.915 -3.079 2.795 1.00 0.00 H new ATOM 0 HA LEU A 991 3.974 -0.311 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.257 -2.204 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 991 1.514 -1.756 3.148 1.00 0.00 H new ATOM 0 HG LEU A 991 1.394 0.618 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 991 1.654 0.996 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.183 0.484 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.224 -0.679 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.502 0.243 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -0.023 -1.462 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -0.551 -0.844 2.228 1.00 0.00 H new ATOM 1258 N ASN A 992 3.493 -1.230 5.291 1.00 0.00 N ATOM 1259 CA ASN A 992 3.398 -0.806 6.681 1.00 0.00 C ATOM 1260 C ASN A 992 4.328 0.373 6.976 1.00 0.00 C ATOM 1261 O ASN A 992 3.883 1.440 7.404 1.00 0.00 O ATOM 1262 CB ASN A 992 3.789 -1.982 7.573 1.00 0.00 C ATOM 1263 CG ASN A 992 3.622 -1.715 9.055 1.00 0.00 C ATOM 1264 OD1 ASN A 992 4.481 -1.107 9.694 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.529 -2.206 9.618 1.00 0.00 N ATOM 0 H ASN A 992 3.682 -2.226 5.176 1.00 0.00 H new ATOM 0 HA ASN A 992 2.375 -0.486 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.186 -2.848 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.829 -2.244 7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.373 -2.087 10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 992 1.843 -2.703 9.051 1.00 0.00 H new ATOM 1272 N SER A 993 5.617 0.180 6.732 1.00 0.00 N ATOM 1273 CA SER A 993 6.609 1.194 7.060 1.00 0.00 C ATOM 1274 C SER A 993 6.694 2.311 6.017 1.00 0.00 C ATOM 1275 O SER A 993 6.913 3.464 6.379 1.00 0.00 O ATOM 1276 CB SER A 993 7.974 0.543 7.272 1.00 0.00 C ATOM 1277 OG SER A 993 7.874 -0.556 8.167 1.00 0.00 O ATOM 0 H SER A 993 5.999 -0.666 6.310 1.00 0.00 H new ATOM 0 HA SER A 993 6.286 1.668 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.373 0.204 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.675 1.278 7.668 1.00 0.00 H new ATOM 0 HG SER A 993 8.758 -0.961 8.288 1.00 0.00 H new ATOM 1283 N ASP A 994 6.535 1.997 4.738 1.00 0.00 N ATOM 1284 CA ASP A 994 6.606 3.054 3.723 1.00 0.00 C ATOM 1285 C ASP A 994 5.450 4.051 3.876 1.00 0.00 C ATOM 1286 O ASP A 994 5.618 5.250 3.682 1.00 0.00 O ATOM 1287 CB ASP A 994 6.677 2.486 2.305 1.00 0.00 C ATOM 1288 CG ASP A 994 8.072 2.624 1.717 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.380 3.687 1.143 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.884 1.682 1.856 1.00 0.00 O ATOM 0 H ASP A 994 6.362 1.057 4.382 1.00 0.00 H new ATOM 0 HA ASP A 994 7.536 3.598 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.389 1.435 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.960 3.004 1.668 1.00 0.00 H new ATOM 1295 N LEU A 995 4.279 3.542 4.242 1.00 0.00 N ATOM 1296 CA LEU A 995 3.129 4.380 4.607 1.00 0.00 C ATOM 1297 C LEU A 995 3.403 5.114 5.916 1.00 0.00 C ATOM 1298 O LEU A 995 2.870 6.200 6.137 1.00 0.00 O ATOM 1299 CB LEU A 995 1.838 3.520 4.653 1.00 0.00 C ATOM 1300 CG LEU A 995 0.525 4.173 5.139 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.507 4.353 6.649 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.276 5.497 4.444 1.00 0.00 C ATOM 0 H LEU A 995 4.094 2.540 4.296 1.00 0.00 H new ATOM 0 HA LEU A 995 2.974 5.145 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.663 3.134 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 995 2.036 2.661 5.294 1.00 0.00 H new ATOM 0 HG LEU A 995 -0.283 3.491 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -0.433 4.815 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 995 0.604 3.381 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 995 1.337 4.992 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -0.656 5.930 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 995 1.100 6.179 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 995 0.204 5.336 3.368 1.00 0.00 H new ATOM 1314 N ALA A 996 4.272 4.588 6.753 1.00 0.00 N ATOM 1315 CA ALA A 996 4.704 5.362 7.915 1.00 0.00 C ATOM 1316 C ALA A 996 5.617 6.512 7.469 1.00 0.00 C ATOM 1317 O ALA A 996 5.635 7.576 8.095 1.00 0.00 O ATOM 1318 CB ALA A 996 5.373 4.481 8.960 1.00 0.00 C ATOM 0 H ALA A 996 4.686 3.660 6.664 1.00 0.00 H new ATOM 0 HA ALA A 996 3.822 5.791 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.680 5.092 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.670 3.719 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.248 4.000 8.524 1.00 0.00 H new ATOM 1324 N GLU A 997 6.328 6.326 6.363 1.00 0.00 N ATOM 1325 CA GLU A 997 7.119 7.406 5.780 1.00 0.00 C ATOM 1326 C GLU A 997 6.214 8.394 5.049 1.00 0.00 C ATOM 1327 O GLU A 997 6.438 9.608 5.111 1.00 0.00 O ATOM 1328 CB GLU A 997 8.194 6.872 4.829 1.00 0.00 C ATOM 1329 CG GLU A 997 9.123 7.966 4.331 1.00 0.00 C ATOM 1330 CD GLU A 997 10.236 7.455 3.445 1.00 0.00 C ATOM 1331 OE1 GLU A 997 11.156 6.799 3.969 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.216 7.750 2.232 1.00 0.00 O ATOM 0 H GLU A 997 6.374 5.444 5.854 1.00 0.00 H new ATOM 0 HA GLU A 997 7.624 7.921 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.779 6.107 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.714 6.391 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.540 8.704 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.558 8.480 5.188 1.00 0.00 H new ATOM 1339 N LEU A 998 5.181 7.884 4.383 1.00 0.00 N ATOM 1340 CA LEU A 998 4.241 8.743 3.674 1.00 0.00 C ATOM 1341 C LEU A 998 3.626 9.772 4.619 1.00 0.00 C ATOM 1342 O LEU A 998 3.579 10.968 4.321 1.00 0.00 O ATOM 1343 CB LEU A 998 3.127 7.916 3.016 1.00 0.00 C ATOM 1344 CG LEU A 998 1.858 8.701 2.635 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.206 8.103 1.408 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.852 8.711 3.775 1.00 0.00 C ATOM 0 H LEU A 998 4.976 6.887 4.320 1.00 0.00 H new ATOM 0 HA LEU A 998 4.797 9.265 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.528 7.448 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.846 7.111 3.695 1.00 0.00 H new ATOM 0 HG LEU A 998 2.164 9.725 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.312 8.673 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.904 8.137 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 998 0.931 7.068 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.032 9.273 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.567 7.687 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.300 9.180 4.651 1.00 0.00 H new ATOM 1358 N ILE A 999 3.190 9.289 5.778 1.00 0.00 N ATOM 1359 CA ILE A 999 2.439 10.105 6.734 1.00 0.00 C ATOM 1360 C ILE A 999 3.294 11.229 7.311 1.00 0.00 C ATOM 1361 O ILE A 999 2.857 12.376 7.366 1.00 0.00 O ATOM 1362 CB ILE A 999 1.897 9.241 7.898 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.844 8.251 7.392 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.318 10.118 9.000 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.357 7.289 8.456 1.00 0.00 C ATOM 0 H ILE A 999 3.344 8.328 6.082 1.00 0.00 H new ATOM 0 HA ILE A 999 1.606 10.542 6.184 1.00 0.00 H new ATOM 0 HB ILE A 999 2.730 8.675 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 999 -0.007 8.807 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.262 7.681 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.943 9.488 9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.095 10.778 9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.501 10.716 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.387 6.618 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.198 6.706 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.091 7.850 9.276 1.00 0.00 H new ATOM 1377 N ASN A1000 4.511 10.896 7.730 1.00 0.00 N ATOM 1378 CA ASN A1000 5.403 11.876 8.357 1.00 0.00 C ATOM 1379 C ASN A1000 5.635 13.084 7.451 1.00 0.00 C ATOM 1380 O ASN A1000 5.634 14.231 7.900 1.00 0.00 O ATOM 1381 CB ASN A1000 6.749 11.229 8.705 1.00 0.00 C ATOM 1382 CG ASN A1000 6.735 10.545 10.064 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.044 11.162 11.085 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.390 9.266 10.093 1.00 0.00 N ATOM 0 H ASN A1000 4.905 9.959 7.649 1.00 0.00 H new ATOM 0 HA ASN A1000 4.918 12.221 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.006 10.499 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.528 11.991 8.694 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.375 8.762 10.980 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.140 8.786 9.229 1.00 0.00 H new ATOM 1391 N LYS A1001 5.790 12.813 6.167 1.00 0.00 N ATOM 1392 CA LYS A1001 6.155 13.836 5.198 1.00 0.00 C ATOM 1393 C LYS A1001 4.919 14.581 4.706 1.00 0.00 C ATOM 1394 O LYS A1001 4.950 15.794 4.479 1.00 0.00 O ATOM 1395 CB LYS A1001 6.938 13.193 4.051 1.00 0.00 C ATOM 1396 CG LYS A1001 8.232 12.556 4.538 1.00 0.00 C ATOM 1397 CD LYS A1001 8.960 11.794 3.445 1.00 0.00 C ATOM 1398 CE LYS A1001 10.286 11.249 3.954 1.00 0.00 C ATOM 1399 NZ LYS A1001 11.062 10.557 2.891 1.00 0.00 N ATOM 0 H LYS A1001 5.668 11.883 5.766 1.00 0.00 H new ATOM 0 HA LYS A1001 6.798 14.577 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.320 12.436 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.165 13.948 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.888 13.332 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.010 11.878 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.336 10.973 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.135 12.451 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.881 12.068 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.100 10.555 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.898 10.102 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 10.465 9.835 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 11.367 11.249 2.177 1.00 0.00 H new ATOM 1413 N MET A1002 3.811 13.863 4.610 1.00 0.00 N ATOM 1414 CA MET A1002 2.535 14.473 4.295 1.00 0.00 C ATOM 1415 C MET A1002 2.182 15.447 5.396 1.00 0.00 C ATOM 1416 O MET A1002 1.545 16.481 5.183 1.00 0.00 O ATOM 1417 CB MET A1002 1.441 13.411 4.210 1.00 0.00 C ATOM 1418 CG MET A1002 0.071 14.000 3.923 1.00 0.00 C ATOM 1419 SD MET A1002 -0.881 13.040 2.734 1.00 0.00 S ATOM 1420 CE MET A1002 -1.040 11.486 3.600 1.00 0.00 C ATOM 0 H MET A1002 3.773 12.853 4.747 1.00 0.00 H new ATOM 0 HA MET A1002 2.610 14.983 3.334 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.695 12.696 3.428 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.404 12.858 5.148 1.00 0.00 H new ATOM 0 HG2 MET A1002 -0.489 14.070 4.855 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.191 15.016 3.546 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.330 10.705 2.897 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.086 11.226 4.058 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.802 11.577 4.374 1.00 0.00 H new ATOM 1430 N LYS A1003 2.658 15.107 6.581 1.00 0.00 N ATOM 1431 CA LYS A1003 2.274 15.798 7.784 1.00 0.00 C ATOM 1432 C LYS A1003 2.807 17.217 7.774 1.00 0.00 C ATOM 1433 O LYS A1003 2.054 18.175 7.939 1.00 0.00 O ATOM 1434 CB LYS A1003 2.803 15.069 9.015 1.00 0.00 C ATOM 1435 CG LYS A1003 1.779 14.938 10.130 1.00 0.00 C ATOM 1436 CD LYS A1003 0.743 13.873 9.809 1.00 0.00 C ATOM 1437 CE LYS A1003 -0.222 13.665 10.967 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.486 13.306 12.224 1.00 0.00 N ATOM 0 H LYS A1003 3.320 14.345 6.729 1.00 0.00 H new ATOM 0 HA LYS A1003 1.185 15.823 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.138 14.074 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A1003 3.676 15.600 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.284 14.687 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A1003 1.282 15.896 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.186 14.163 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.245 12.933 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.801 14.575 11.124 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -0.930 12.877 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -0.188 12.882 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.242 12.623 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.900 14.162 12.646 1.00 0.00 H new ATOM 1452 N LEU A1004 4.110 17.348 7.554 1.00 0.00 N ATOM 1453 CA LEU A1004 4.750 18.656 7.533 1.00 0.00 C ATOM 1454 C LEU A1004 4.343 19.464 6.313 1.00 0.00 C ATOM 1455 O LEU A1004 4.486 20.682 6.306 1.00 0.00 O ATOM 1456 CB LEU A1004 6.278 18.544 7.587 1.00 0.00 C ATOM 1457 CG LEU A1004 6.884 18.210 8.958 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.626 16.761 9.337 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.376 18.509 8.970 1.00 0.00 C ATOM 0 H LEU A1004 4.742 16.565 7.388 1.00 0.00 H new ATOM 0 HA LEU A1004 4.407 19.177 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.591 17.778 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.703 19.487 7.245 1.00 0.00 H new ATOM 0 HG LEU A1004 6.397 18.841 9.701 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.067 16.556 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A1004 5.552 16.582 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.074 16.105 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.788 18.266 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A1004 8.873 17.909 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.537 19.567 8.761 1.00 0.00 H new ATOM 1471 N ALA A1005 3.787 18.819 5.308 1.00 0.00 N ATOM 1472 CA ALA A1005 3.418 19.549 4.114 1.00 0.00 C ATOM 1473 C ALA A1005 2.215 20.450 4.396 1.00 0.00 C ATOM 1474 O ALA A1005 2.173 21.572 3.926 1.00 0.00 O ATOM 1475 CB ALA A1005 3.185 18.617 2.948 1.00 0.00 C ATOM 0 H ALA A1005 3.585 17.819 5.292 1.00 0.00 H new ATOM 0 HA ALA A1005 4.249 20.193 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.910 19.198 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.097 18.056 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.380 17.924 3.192 1.00 0.00 H new ATOM 1481 N GLN A1006 1.248 19.979 5.171 1.00 0.00 N ATOM 1482 CA GLN A1006 0.207 20.877 5.689 1.00 0.00 C ATOM 1483 C GLN A1006 0.740 21.751 6.814 1.00 0.00 C ATOM 1484 O GLN A1006 0.318 22.905 6.939 1.00 0.00 O ATOM 1485 CB GLN A1006 -1.038 20.120 6.157 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.783 19.083 7.244 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.943 19.645 8.646 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.749 20.544 8.876 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -0.171 19.128 9.586 1.00 0.00 N ATOM 0 H GLN A1006 1.156 19.003 5.454 1.00 0.00 H new ATOM 0 HA GLN A1006 -0.088 21.516 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.767 20.841 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.488 19.622 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.472 18.248 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.225 18.685 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.485 18.383 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.232 19.474 10.543 1.00 0.00 H new ATOM 1498 N GLN A1007 1.669 21.232 7.605 1.00 0.00 N ATOM 1499 CA GLN A1007 2.282 22.022 8.665 1.00 0.00 C ATOM 1500 C GLN A1007 2.784 23.350 8.114 1.00 0.00 C ATOM 1501 O GLN A1007 2.567 24.406 8.701 1.00 0.00 O ATOM 1502 CB GLN A1007 3.426 21.247 9.318 1.00 0.00 C ATOM 1503 CG GLN A1007 2.928 20.102 10.185 1.00 0.00 C ATOM 1504 CD GLN A1007 4.040 19.263 10.780 1.00 0.00 C ATOM 1505 OE1 GLN A1007 5.174 19.882 11.062 1.00 0.00 O flip ATOM 1506 NE2 GLN A1007 3.874 18.063 10.992 1.00 0.00 N flip ATOM 0 H GLN A1007 2.013 20.274 7.534 1.00 0.00 H new ATOM 0 HA GLN A1007 1.527 22.225 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.084 20.853 8.543 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.022 21.927 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.318 20.507 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A1007 2.280 19.460 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A1007 2.984 17.623 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A1007 4.627 17.508 11.400 1.00 0.00 H new ATOM 1515 N TYR A1008 3.438 23.295 6.964 1.00 0.00 N ATOM 1516 CA TYR A1008 3.808 24.512 6.275 1.00 0.00 C ATOM 1517 C TYR A1008 3.217 24.533 4.872 1.00 0.00 C ATOM 1518 O TYR A1008 3.880 24.937 3.913 1.00 0.00 O ATOM 1519 CB TYR A1008 5.325 24.689 6.242 1.00 0.00 C ATOM 1520 CG TYR A1008 5.889 25.213 7.542 1.00 0.00 C ATOM 1521 CD1 TYR A1008 6.259 24.348 8.561 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.041 26.579 7.753 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.764 24.825 9.753 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.549 27.062 8.943 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.907 26.182 9.938 1.00 0.00 C ATOM 1526 OH TYR A1008 7.410 26.660 11.127 1.00 0.00 O ATOM 0 H TYR A1008 3.718 22.432 6.497 1.00 0.00 H new ATOM 0 HA TYR A1008 3.394 25.355 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.792 23.732 6.010 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.587 25.375 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A1008 6.150 23.283 8.419 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.758 27.272 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A1008 7.046 24.138 10.537 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.665 28.125 9.092 1.00 0.00 H new ATOM 0 HH TYR A1008 7.448 27.639 11.096 1.00 0.00 H new ATOM 1536 N VAL A1009 1.958 24.084 4.767 1.00 0.00 N ATOM 1537 CA VAL A1009 1.169 24.190 3.532 1.00 0.00 C ATOM 1538 C VAL A1009 1.202 25.607 2.997 1.00 0.00 C ATOM 1539 O VAL A1009 0.929 25.857 1.821 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.300 23.778 3.771 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.976 24.727 4.751 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -1.067 23.717 2.459 1.00 0.00 C ATOM 0 H VAL A1009 1.458 23.637 5.536 1.00 0.00 H new ATOM 0 HA VAL A1009 1.615 23.513 2.803 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.303 22.780 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -2.010 24.417 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.446 24.705 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.957 25.740 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.099 23.425 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.051 24.697 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.601 22.985 1.799 1.00 0.00 H new ATOM 1552 N MET A1010 1.514 26.523 3.899 1.00 0.00 N ATOM 1553 CA MET A1010 1.745 27.918 3.558 1.00 0.00 C ATOM 1554 C MET A1010 2.501 28.051 2.233 1.00 0.00 C ATOM 1555 O MET A1010 2.056 28.775 1.348 1.00 0.00 O ATOM 1556 CB MET A1010 2.524 28.609 4.678 1.00 0.00 C ATOM 1557 CG MET A1010 1.774 28.659 5.999 1.00 0.00 C ATOM 1558 SD MET A1010 0.178 29.490 5.860 1.00 0.00 S ATOM 1559 CE MET A1010 0.699 31.152 5.442 1.00 0.00 C ATOM 0 H MET A1010 1.615 26.319 4.893 1.00 0.00 H new ATOM 0 HA MET A1010 0.775 28.401 3.441 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.470 28.088 4.826 1.00 0.00 H new ATOM 0 HB3 MET A1010 2.765 29.626 4.368 1.00 0.00 H new ATOM 0 HG2 MET A1010 1.620 27.643 6.364 1.00 0.00 H new ATOM 0 HG3 MET A1010 2.385 29.175 6.740 1.00 0.00 H new ATOM 0 HE1 MET A1010 -0.134 31.841 5.582 1.00 0.00 H new ATOM 0 HE2 MET A1010 1.526 31.447 6.088 1.00 0.00 H new ATOM 0 HE3 MET A1010 1.023 31.181 4.402 1.00 0.00 H new ATOM 1569 N THR A1011 3.620 27.327 2.083 1.00 0.00 N ATOM 1570 CA THR A1011 4.401 27.383 0.838 1.00 0.00 C ATOM 1571 C THR A1011 5.396 26.222 0.690 1.00 0.00 C ATOM 1572 O THR A1011 5.086 25.176 0.088 1.00 0.00 O ATOM 1573 CB THR A1011 5.195 28.707 0.719 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.538 29.198 2.023 1.00 0.00 O ATOM 1575 CG2 THR A1011 4.422 29.764 -0.054 1.00 0.00 C ATOM 0 H THR A1011 4.000 26.705 2.796 1.00 0.00 H new ATOM 0 HA THR A1011 3.658 27.311 0.044 1.00 0.00 H new ATOM 0 HB THR A1011 6.108 28.494 0.162 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.041 30.034 1.936 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.015 30.677 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A1011 4.214 29.400 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A1011 3.483 29.974 0.457 1.00 0.00 H new ATOM 1583 N SER A1012 6.582 26.424 1.269 1.00 0.00 N ATOM 1584 CA SER A1012 7.755 25.592 1.007 1.00 0.00 C ATOM 1585 C SER A1012 7.483 24.109 1.230 1.00 0.00 C ATOM 1586 O SER A1012 7.498 23.325 0.272 1.00 0.00 O ATOM 1587 CB SER A1012 8.931 26.055 1.876 1.00 0.00 C ATOM 1588 OG SER A1012 10.097 25.285 1.630 1.00 0.00 O ATOM 0 H SER A1012 6.755 27.175 1.937 1.00 0.00 H new ATOM 0 HA SER A1012 8.008 25.712 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.140 27.106 1.677 1.00 0.00 H new ATOM 0 HB3 SER A1012 8.659 25.978 2.929 1.00 0.00 H new ATOM 0 HG SER A1012 10.828 25.607 2.198 1.00 0.00 H new ATOM 1594 N LEU A1013 7.252 23.719 2.481 1.00 0.00 N ATOM 1595 CA LEU A1013 6.998 22.324 2.811 1.00 0.00 C ATOM 1596 C LEU A1013 5.942 21.711 1.940 1.00 0.00 C ATOM 1597 O LEU A1013 6.111 20.594 1.469 1.00 0.00 O ATOM 1598 CB LEU A1013 6.551 22.176 4.257 1.00 0.00 C ATOM 1599 CG LEU A1013 7.677 21.820 5.237 1.00 0.00 C ATOM 1600 CD1 LEU A1013 8.820 22.817 5.133 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.179 21.759 6.668 1.00 0.00 C ATOM 0 H LEU A1013 7.236 24.351 3.281 1.00 0.00 H new ATOM 0 HA LEU A1013 7.942 21.805 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.088 23.109 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A1013 5.783 21.404 4.310 1.00 0.00 H new ATOM 0 HG LEU A1013 8.040 20.830 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A1013 9.606 22.544 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A1013 9.221 22.807 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A1013 8.454 23.816 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.006 21.504 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A1013 6.771 22.729 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.401 21.000 6.750 1.00 0.00 H new ATOM 1613 N GLN A1014 4.880 22.454 1.696 1.00 0.00 N ATOM 1614 CA GLN A1014 3.692 21.877 1.116 1.00 0.00 C ATOM 1615 C GLN A1014 4.014 21.129 -0.169 1.00 0.00 C ATOM 1616 O GLN A1014 3.627 19.979 -0.347 1.00 0.00 O ATOM 1617 CB GLN A1014 2.660 22.963 0.858 1.00 0.00 C ATOM 1618 CG GLN A1014 1.559 22.536 -0.092 1.00 0.00 C ATOM 1619 CD GLN A1014 1.511 23.390 -1.343 1.00 0.00 C ATOM 1620 OE1 GLN A1014 2.672 23.843 -1.794 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 0.446 23.629 -1.911 1.00 0.00 N flip ATOM 0 H GLN A1014 4.819 23.453 1.891 1.00 0.00 H new ATOM 0 HA GLN A1014 3.280 21.157 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.215 23.263 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.162 23.840 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.709 21.494 -0.373 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.599 22.593 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.427 23.262 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.436 24.194 -2.760 1.00 0.00 H new ATOM 1630 N GLN A1015 4.767 21.784 -1.047 1.00 0.00 N ATOM 1631 CA GLN A1015 5.074 21.205 -2.350 1.00 0.00 C ATOM 1632 C GLN A1015 6.112 20.081 -2.256 1.00 0.00 C ATOM 1633 O GLN A1015 5.920 19.016 -2.836 1.00 0.00 O ATOM 1634 CB GLN A1015 5.536 22.292 -3.327 1.00 0.00 C ATOM 1635 CG GLN A1015 6.733 23.089 -2.836 1.00 0.00 C ATOM 1636 CD GLN A1015 7.148 24.186 -3.795 1.00 0.00 C ATOM 1637 OE1 GLN A1015 6.951 24.079 -5.005 1.00 0.00 O ATOM 1638 NE2 GLN A1015 7.745 25.242 -3.266 1.00 0.00 N ATOM 0 H GLN A1015 5.172 22.706 -0.883 1.00 0.00 H new ATOM 0 HA GLN A1015 4.155 20.759 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.787 21.828 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.708 22.976 -3.514 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.496 23.531 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.574 22.413 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A1015 7.890 25.294 -2.258 1.00 0.00 H new ATOM 0 HE22 GLN A1015 8.060 26.004 -3.867 1.00 0.00 H new ATOM 1647 N GLU A1016 7.186 20.298 -1.506 1.00 0.00 N ATOM 1648 CA GLU A1016 8.250 19.298 -1.385 1.00 0.00 C ATOM 1649 C GLU A1016 7.745 18.058 -0.660 1.00 0.00 C ATOM 1650 O GLU A1016 7.835 16.941 -1.161 1.00 0.00 O ATOM 1651 CB GLU A1016 9.435 19.883 -0.613 1.00 0.00 C ATOM 1652 CG GLU A1016 10.530 18.864 -0.329 1.00 0.00 C ATOM 1653 CD GLU A1016 11.689 19.449 0.452 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.413 20.298 -0.100 1.00 0.00 O ATOM 1655 OE2 GLU A1016 11.889 19.053 1.620 1.00 0.00 O ATOM 0 H GLU A1016 7.347 21.153 -0.973 1.00 0.00 H new ATOM 0 HA GLU A1016 8.567 19.018 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.857 20.711 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.077 20.295 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.107 18.029 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.900 18.462 -1.272 1.00 0.00 H new ATOM 1662 N TYR A1017 7.181 18.295 0.501 1.00 0.00 N ATOM 1663 CA TYR A1017 6.734 17.265 1.409 1.00 0.00 C ATOM 1664 C TYR A1017 5.630 16.398 0.838 1.00 0.00 C ATOM 1665 O TYR A1017 5.576 15.207 1.089 1.00 0.00 O ATOM 1666 CB TYR A1017 6.245 17.970 2.660 1.00 0.00 C ATOM 1667 CG TYR A1017 7.411 18.223 3.593 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.369 19.182 3.288 1.00 0.00 C ATOM 1669 CD2 TYR A1017 7.593 17.464 4.740 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.466 19.383 4.102 1.00 0.00 C ATOM 1671 CE2 TYR A1017 8.684 17.666 5.565 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.620 18.624 5.237 1.00 0.00 C ATOM 1673 OH TYR A1017 10.713 18.821 6.049 1.00 0.00 O ATOM 0 H TYR A1017 7.016 19.239 0.850 1.00 0.00 H new ATOM 0 HA TYR A1017 7.563 16.587 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.768 18.913 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.492 17.362 3.161 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.253 19.782 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.870 16.702 4.993 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.200 20.134 3.848 1.00 0.00 H new ATOM 0 HE2 TYR A1017 8.803 17.076 6.462 1.00 0.00 H new ATOM 0 HH TYR A1017 10.671 18.204 6.810 1.00 0.00 H new ATOM 1683 N LYS A1018 4.730 17.043 0.086 1.00 0.00 N ATOM 1684 CA LYS A1018 3.570 16.385 -0.508 1.00 0.00 C ATOM 1685 C LYS A1018 3.951 15.666 -1.799 1.00 0.00 C ATOM 1686 O LYS A1018 3.329 14.672 -2.175 1.00 0.00 O ATOM 1687 CB LYS A1018 2.449 17.389 -0.781 1.00 0.00 C ATOM 1688 CG LYS A1018 1.084 16.735 -0.943 1.00 0.00 C ATOM 1689 CD LYS A1018 0.654 16.043 0.345 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.586 15.183 0.154 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.811 15.976 -0.108 1.00 0.00 N ATOM 0 H LYS A1018 4.790 18.039 -0.126 1.00 0.00 H new ATOM 0 HA LYS A1018 3.209 15.647 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.406 18.107 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.685 17.950 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.346 17.488 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.118 16.010 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.471 15.421 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.458 16.794 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.420 14.497 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.739 14.574 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.649 15.374 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.854 16.777 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.791 16.334 -1.084 1.00 0.00 H new ATOM 1705 N LYS A1019 4.963 16.176 -2.488 1.00 0.00 N ATOM 1706 CA LYS A1019 5.478 15.502 -3.674 1.00 0.00 C ATOM 1707 C LYS A1019 6.275 14.293 -3.237 1.00 0.00 C ATOM 1708 O LYS A1019 6.044 13.184 -3.696 1.00 0.00 O ATOM 1709 CB LYS A1019 6.323 16.448 -4.525 1.00 0.00 C ATOM 1710 CG LYS A1019 5.528 17.083 -5.660 1.00 0.00 C ATOM 1711 CD LYS A1019 4.231 17.713 -5.160 1.00 0.00 C ATOM 1712 CE LYS A1019 3.365 18.209 -6.310 1.00 0.00 C ATOM 1713 NZ LYS A1019 2.854 17.093 -7.152 1.00 0.00 N ATOM 0 H LYS A1019 5.440 17.046 -2.250 1.00 0.00 H new ATOM 0 HA LYS A1019 4.645 15.179 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.733 17.233 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.168 15.900 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.137 17.844 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.299 16.327 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.674 16.982 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.463 18.545 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.523 18.775 -5.911 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.944 18.893 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.103 17.447 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 3.631 16.707 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 2.470 16.344 -6.541 1.00 0.00 H new ATOM 1727 N GLN A1020 7.203 14.534 -2.328 1.00 0.00 N ATOM 1728 CA GLN A1020 7.835 13.492 -1.535 1.00 0.00 C ATOM 1729 C GLN A1020 6.790 12.591 -0.879 1.00 0.00 C ATOM 1730 O GLN A1020 7.014 11.388 -0.747 1.00 0.00 O ATOM 1731 CB GLN A1020 8.713 14.152 -0.474 1.00 0.00 C ATOM 1732 CG GLN A1020 9.482 13.176 0.384 1.00 0.00 C ATOM 1733 CD GLN A1020 10.483 13.861 1.286 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.525 13.296 1.611 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.174 15.079 1.707 1.00 0.00 N ATOM 0 H GLN A1020 7.544 15.472 -2.116 1.00 0.00 H new ATOM 0 HA GLN A1020 8.445 12.864 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.419 14.821 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.085 14.769 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.782 12.603 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A1020 10.003 12.465 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.299 15.513 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.811 15.582 2.324 1.00 0.00 H new ATOM 1744 N MET A1021 5.652 13.149 -0.488 1.00 0.00 N ATOM 1745 CA MET A1021 4.567 12.338 0.041 1.00 0.00 C ATOM 1746 C MET A1021 4.089 11.390 -1.034 1.00 0.00 C ATOM 1747 O MET A1021 4.023 10.194 -0.799 1.00 0.00 O ATOM 1748 CB MET A1021 3.403 13.200 0.557 1.00 0.00 C ATOM 1749 CG MET A1021 2.293 12.424 1.265 1.00 0.00 C ATOM 1750 SD MET A1021 1.334 11.325 0.190 1.00 0.00 S ATOM 1751 CE MET A1021 0.733 12.452 -1.062 1.00 0.00 C ATOM 0 H MET A1021 5.458 14.150 -0.527 1.00 0.00 H new ATOM 0 HA MET A1021 4.944 11.773 0.893 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.800 13.947 1.245 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.969 13.740 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.736 11.831 2.065 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.613 13.135 1.734 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.681 11.936 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.260 12.807 -0.786 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.412 13.301 -1.143 1.00 0.00 H new ATOM 1761 N LEU A1022 3.798 11.897 -2.233 1.00 0.00 N ATOM 1762 CA LEU A1022 3.270 11.022 -3.265 1.00 0.00 C ATOM 1763 C LEU A1022 4.411 10.239 -3.916 1.00 0.00 C ATOM 1764 O LEU A1022 4.189 9.407 -4.781 1.00 0.00 O ATOM 1765 CB LEU A1022 2.417 11.792 -4.298 1.00 0.00 C ATOM 1766 CG LEU A1022 2.902 11.738 -5.751 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.737 11.921 -6.709 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.957 12.805 -6.007 1.00 0.00 C ATOM 0 H LEU A1022 3.915 12.874 -2.502 1.00 0.00 H new ATOM 0 HA LEU A1022 2.593 10.307 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.400 11.402 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.369 12.837 -3.992 1.00 0.00 H new ATOM 0 HG LEU A1022 3.348 10.758 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.100 11.880 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.007 11.127 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.266 12.888 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.287 12.749 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.532 13.790 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.808 12.641 -5.346 1.00 0.00 H new ATOM 1780 N THR A1023 5.636 10.525 -3.488 1.00 0.00 N ATOM 1781 CA THR A1023 6.796 9.742 -3.891 1.00 0.00 C ATOM 1782 C THR A1023 6.921 8.529 -2.977 1.00 0.00 C ATOM 1783 O THR A1023 7.224 7.431 -3.426 1.00 0.00 O ATOM 1784 CB THR A1023 8.098 10.576 -3.845 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.974 11.734 -4.683 1.00 0.00 O ATOM 1786 CG2 THR A1023 9.294 9.752 -4.300 1.00 0.00 C ATOM 0 H THR A1023 5.851 11.298 -2.858 1.00 0.00 H new ATOM 0 HA THR A1023 6.651 9.422 -4.923 1.00 0.00 H new ATOM 0 HB THR A1023 8.259 10.885 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.244 12.299 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A1023 10.195 10.364 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.411 8.888 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A1023 9.134 9.413 -5.323 1.00 0.00 H new ATOM 1794 N ALA A1024 6.655 8.740 -1.690 1.00 0.00 N ATOM 1795 CA ALA A1024 6.569 7.647 -0.731 1.00 0.00 C ATOM 1796 C ALA A1024 5.225 6.956 -0.878 1.00 0.00 C ATOM 1797 O ALA A1024 5.043 5.825 -0.459 1.00 0.00 O ATOM 1798 CB ALA A1024 6.769 8.153 0.690 1.00 0.00 C ATOM 0 H ALA A1024 6.495 9.664 -1.288 1.00 0.00 H new ATOM 0 HA ALA A1024 7.363 6.929 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.700 7.318 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.751 8.617 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.999 8.887 0.927 1.00 0.00 H new ATOM 1804 N ALA A1025 4.284 7.676 -1.455 1.00 0.00 N ATOM 1805 CA ALA A1025 3.005 7.122 -1.860 1.00 0.00 C ATOM 1806 C ALA A1025 3.120 6.493 -3.246 1.00 0.00 C ATOM 1807 O ALA A1025 2.332 5.627 -3.590 1.00 0.00 O ATOM 1808 CB ALA A1025 1.917 8.173 -1.811 1.00 0.00 C ATOM 0 H ALA A1025 4.385 8.670 -1.658 1.00 0.00 H new ATOM 0 HA ALA A1025 2.725 6.339 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.970 7.731 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.825 8.555 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.171 8.992 -2.484 1.00 0.00 H new ATOM 1814 N HIS A1026 4.069 6.944 -4.053 1.00 0.00 N ATOM 1815 CA HIS A1026 4.465 6.184 -5.241 1.00 0.00 C ATOM 1816 C HIS A1026 5.322 5.002 -4.813 1.00 0.00 C ATOM 1817 O HIS A1026 5.380 4.000 -5.502 1.00 0.00 O ATOM 1818 CB HIS A1026 5.178 7.076 -6.273 1.00 0.00 C ATOM 1819 CG HIS A1026 5.919 6.340 -7.357 1.00 0.00 C ATOM 1820 ND1 HIS A1026 5.301 5.744 -8.433 1.00 0.00 N ATOM 1821 CD2 HIS A1026 7.247 6.129 -7.529 1.00 0.00 C ATOM 1822 CE1 HIS A1026 6.215 5.202 -9.217 1.00 0.00 C ATOM 1823 NE2 HIS A1026 7.405 5.422 -8.694 1.00 0.00 N ATOM 0 H HIS A1026 4.576 7.818 -3.915 1.00 0.00 H new ATOM 0 HA HIS A1026 3.573 5.805 -5.739 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.438 7.727 -6.739 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.883 7.720 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS A1026 8.036 6.458 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A1026 6.020 4.667 -10.135 1.00 0.00 H new ATOM 0 HE2 HIS A1026 8.295 5.117 -9.089 1.00 0.00 H new ATOM 1832 N ALA A1027 5.949 5.115 -3.658 1.00 0.00 N ATOM 1833 CA ALA A1027 6.525 3.976 -2.950 1.00 0.00 C ATOM 1834 C ALA A1027 5.421 3.110 -2.390 1.00 0.00 C ATOM 1835 O ALA A1027 5.512 1.889 -2.440 1.00 0.00 O ATOM 1836 CB ALA A1027 7.427 4.466 -1.829 1.00 0.00 C ATOM 0 H ALA A1027 6.077 6.005 -3.176 1.00 0.00 H new ATOM 0 HA ALA A1027 7.119 3.384 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.853 3.611 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A1027 8.230 5.073 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.845 5.067 -1.130 1.00 0.00 H new ATOM 1842 N LEU A1028 4.376 3.719 -1.872 1.00 0.00 N ATOM 1843 CA LEU A1028 3.198 2.965 -1.506 1.00 0.00 C ATOM 1844 C LEU A1028 2.591 2.312 -2.739 1.00 0.00 C ATOM 1845 O LEU A1028 2.235 1.146 -2.707 1.00 0.00 O ATOM 1846 CB LEU A1028 2.180 3.846 -0.789 1.00 0.00 C ATOM 1847 CG LEU A1028 2.622 4.348 0.582 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.419 4.849 1.349 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.316 3.235 1.342 1.00 0.00 C ATOM 0 H LEU A1028 4.318 4.722 -1.697 1.00 0.00 H new ATOM 0 HA LEU A1028 3.493 2.180 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.956 4.706 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.253 3.285 -0.673 1.00 0.00 H new ATOM 0 HG LEU A1028 3.327 5.170 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.735 5.208 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.950 5.664 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.703 4.037 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.628 3.602 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.629 2.399 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A1028 4.191 2.903 0.783 1.00 0.00 H new ATOM 1861 N ALA A1029 2.487 3.057 -3.822 1.00 0.00 N ATOM 1862 CA ALA A1029 2.051 2.500 -5.092 1.00 0.00 C ATOM 1863 C ALA A1029 2.989 1.391 -5.562 1.00 0.00 C ATOM 1864 O ALA A1029 2.539 0.399 -6.134 1.00 0.00 O ATOM 1865 CB ALA A1029 1.950 3.594 -6.144 1.00 0.00 C ATOM 0 H ALA A1029 2.699 4.054 -3.850 1.00 0.00 H new ATOM 0 HA ALA A1029 1.064 2.062 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.622 3.161 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A1029 1.229 4.345 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.926 4.061 -6.278 1.00 0.00 H new ATOM 1871 N VAL A1030 4.289 1.548 -5.311 1.00 0.00 N ATOM 1872 CA VAL A1030 5.255 0.545 -5.727 1.00 0.00 C ATOM 1873 C VAL A1030 5.091 -0.708 -4.884 1.00 0.00 C ATOM 1874 O VAL A1030 4.951 -1.821 -5.402 1.00 0.00 O ATOM 1875 CB VAL A1030 6.712 1.063 -5.603 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.709 -0.093 -5.556 1.00 0.00 C ATOM 1877 CG2 VAL A1030 7.052 1.982 -6.766 1.00 0.00 C ATOM 0 H VAL A1030 4.689 2.352 -4.827 1.00 0.00 H new ATOM 0 HA VAL A1030 5.065 0.318 -6.776 1.00 0.00 H new ATOM 0 HB VAL A1030 6.784 1.621 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.721 0.303 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.492 -0.726 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.627 -0.682 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A1030 8.078 2.336 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.950 1.436 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A1030 6.373 2.834 -6.767 1.00 0.00 H new ATOM 1887 N ASP A1031 5.078 -0.499 -3.573 1.00 0.00 N ATOM 1888 CA ASP A1031 5.026 -1.585 -2.617 1.00 0.00 C ATOM 1889 C ASP A1031 3.670 -2.255 -2.613 1.00 0.00 C ATOM 1890 O ASP A1031 3.587 -3.460 -2.590 1.00 0.00 O ATOM 1891 CB ASP A1031 5.365 -1.086 -1.214 1.00 0.00 C ATOM 1892 CG ASP A1031 6.853 -1.129 -0.935 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.647 -0.844 -1.858 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.237 -1.455 0.204 1.00 0.00 O ATOM 0 H ASP A1031 5.103 0.428 -3.149 1.00 0.00 H new ATOM 0 HA ASP A1031 5.769 -2.322 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.005 -0.064 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.841 -1.695 -0.477 1.00 0.00 H new ATOM 1899 N ALA A1032 2.606 -1.475 -2.668 1.00 0.00 N ATOM 1900 CA ALA A1032 1.261 -2.039 -2.667 1.00 0.00 C ATOM 1901 C ALA A1032 1.006 -2.824 -3.948 1.00 0.00 C ATOM 1902 O ALA A1032 0.297 -3.829 -3.922 1.00 0.00 O ATOM 1903 CB ALA A1032 0.204 -0.971 -2.457 1.00 0.00 C ATOM 0 H ALA A1032 2.642 -0.457 -2.714 1.00 0.00 H new ATOM 0 HA ALA A1032 1.191 -2.728 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.784 -1.431 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.370 -0.479 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.266 -0.235 -3.259 1.00 0.00 H new ATOM 1909 N LYS A1033 1.596 -2.397 -5.054 1.00 0.00 N ATOM 1910 CA LYS A1033 1.567 -3.198 -6.270 1.00 0.00 C ATOM 1911 C LYS A1033 2.323 -4.506 -6.055 1.00 0.00 C ATOM 1912 O LYS A1033 1.826 -5.594 -6.337 1.00 0.00 O ATOM 1913 CB LYS A1033 2.207 -2.445 -7.437 1.00 0.00 C ATOM 1914 CG LYS A1033 2.307 -3.292 -8.696 1.00 0.00 C ATOM 1915 CD LYS A1033 2.852 -2.510 -9.873 1.00 0.00 C ATOM 1916 CE LYS A1033 3.034 -3.404 -11.090 1.00 0.00 C ATOM 1917 NZ LYS A1033 1.769 -4.078 -11.490 1.00 0.00 N ATOM 0 H LYS A1033 2.095 -1.511 -5.136 1.00 0.00 H new ATOM 0 HA LYS A1033 0.524 -3.405 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.623 -1.550 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.204 -2.113 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.951 -4.150 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.321 -3.683 -8.948 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.172 -1.693 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.807 -2.060 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.405 -2.808 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.792 -4.157 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 1.893 -4.524 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 1.526 -4.805 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 1.003 -3.376 -11.541 1.00 0.00 H new ATOM 1931 N ASN A1034 3.532 -4.370 -5.530 1.00 0.00 N ATOM 1932 CA ASN A1034 4.451 -5.489 -5.374 1.00 0.00 C ATOM 1933 C ASN A1034 4.015 -6.436 -4.261 1.00 0.00 C ATOM 1934 O ASN A1034 4.148 -7.641 -4.394 1.00 0.00 O ATOM 1935 CB ASN A1034 5.860 -4.962 -5.085 1.00 0.00 C ATOM 1936 CG ASN A1034 6.907 -6.057 -5.056 1.00 0.00 C ATOM 1937 OD1 ASN A1034 6.796 -7.065 -5.757 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.937 -5.859 -4.251 1.00 0.00 N ATOM 0 H ASN A1034 3.904 -3.480 -5.200 1.00 0.00 H new ATOM 0 HA ASN A1034 4.448 -6.054 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.130 -4.228 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.858 -4.443 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.680 -6.555 -4.193 1.00 0.00 H new ATOM 0 HD22 ASN A1034 7.989 -5.010 -3.688 1.00 0.00 H new ATOM 1945 N LEU A1035 3.504 -5.895 -3.169 1.00 0.00 N ATOM 1946 CA LEU A1035 3.107 -6.705 -2.028 1.00 0.00 C ATOM 1947 C LEU A1035 1.944 -7.628 -2.395 1.00 0.00 C ATOM 1948 O LEU A1035 1.934 -8.781 -1.966 1.00 0.00 O ATOM 1949 CB LEU A1035 2.781 -5.844 -0.809 1.00 0.00 C ATOM 1950 CG LEU A1035 3.982 -5.345 0.008 1.00 0.00 C ATOM 1951 CD1 LEU A1035 5.286 -5.413 -0.780 1.00 0.00 C ATOM 1952 CD2 LEU A1035 3.724 -3.923 0.465 1.00 0.00 C ATOM 0 H LEU A1035 3.353 -4.894 -3.047 1.00 0.00 H new ATOM 0 HA LEU A1035 3.956 -7.331 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.210 -4.978 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A1035 2.131 -6.418 -0.148 1.00 0.00 H new ATOM 0 HG LEU A1035 4.094 -6.002 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A1035 6.105 -5.050 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A1035 5.482 -6.445 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A1035 5.204 -4.793 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A1035 4.575 -3.567 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A1035 3.584 -3.281 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A1035 2.827 -3.897 1.084 1.00 0.00 H new ATOM 1964 N LEU A1036 0.952 -7.166 -3.169 1.00 0.00 N ATOM 1965 CA LEU A1036 -0.072 -8.119 -3.581 1.00 0.00 C ATOM 1966 C LEU A1036 0.525 -9.154 -4.545 1.00 0.00 C ATOM 1967 O LEU A1036 0.209 -10.342 -4.477 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.308 -7.419 -4.161 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.090 -6.583 -5.432 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.284 -7.431 -6.682 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.031 -5.389 -5.453 1.00 0.00 C ATOM 0 H LEU A1036 0.842 -6.208 -3.500 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.421 -8.652 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -2.060 -8.178 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.724 -6.768 -3.392 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.063 -6.218 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.124 -6.816 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.569 -8.254 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.298 -7.831 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.862 -4.809 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.063 -5.739 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.843 -4.762 -4.581 1.00 0.00 H new ATOM 1983 N ASP A1037 1.402 -8.673 -5.442 1.00 0.00 N ATOM 1984 CA ASP A1037 2.194 -9.525 -6.333 1.00 0.00 C ATOM 1985 C ASP A1037 2.921 -10.590 -5.531 1.00 0.00 C ATOM 1986 O ASP A1037 3.071 -11.726 -5.958 1.00 0.00 O ATOM 1987 CB ASP A1037 3.237 -8.679 -7.074 1.00 0.00 C ATOM 1988 CG ASP A1037 2.839 -8.338 -8.497 1.00 0.00 C ATOM 1989 OD1 ASP A1037 1.720 -7.835 -8.708 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.664 -8.552 -9.417 1.00 0.00 O ATOM 0 H ASP A1037 1.579 -7.676 -5.567 1.00 0.00 H new ATOM 0 HA ASP A1037 1.518 -9.997 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A1037 3.403 -7.755 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A1037 4.185 -9.217 -7.089 1.00 0.00 H new ATOM 1995 N VAL A1038 3.405 -10.166 -4.375 1.00 0.00 N ATOM 1996 CA VAL A1038 4.080 -11.026 -3.416 1.00 0.00 C ATOM 1997 C VAL A1038 3.194 -12.188 -2.973 1.00 0.00 C ATOM 1998 O VAL A1038 3.653 -13.320 -2.958 1.00 0.00 O ATOM 1999 CB VAL A1038 4.586 -10.199 -2.203 1.00 0.00 C ATOM 2000 CG1 VAL A1038 4.868 -11.074 -0.996 1.00 0.00 C ATOM 2001 CG2 VAL A1038 5.842 -9.434 -2.586 1.00 0.00 C ATOM 0 H VAL A1038 3.338 -9.195 -4.071 1.00 0.00 H new ATOM 0 HA VAL A1038 4.946 -11.463 -3.912 1.00 0.00 H new ATOM 0 HB VAL A1038 3.795 -9.501 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.220 -10.454 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A1038 3.955 -11.589 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.633 -11.808 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.191 -8.856 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.618 -10.137 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.619 -8.759 -3.413 1.00 0.00 H new ATOM 2011 N ILE A1039 1.940 -11.929 -2.636 1.00 0.00 N ATOM 2012 CA ILE A1039 1.010 -13.015 -2.311 1.00 0.00 C ATOM 2013 C ILE A1039 0.572 -13.770 -3.564 1.00 0.00 C ATOM 2014 O ILE A1039 0.284 -14.966 -3.493 1.00 0.00 O ATOM 2015 CB ILE A1039 -0.208 -12.536 -1.478 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.219 -12.321 -0.029 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.372 -13.523 -1.545 1.00 0.00 C ATOM 2018 CD1 ILE A1039 0.942 -11.016 0.212 1.00 0.00 C ATOM 0 H ILE A1039 1.541 -10.992 -2.579 1.00 0.00 H new ATOM 0 HA ILE A1039 1.559 -13.711 -1.677 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.558 -11.596 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.664 -12.358 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A1039 0.866 -13.144 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -2.203 -13.147 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.693 -13.638 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -1.053 -14.489 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.212 -10.939 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A1039 1.845 -10.982 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.291 -10.184 -0.058 1.00 0.00 H new ATOM 2030 N ASP A1040 0.566 -13.116 -4.705 1.00 0.00 N ATOM 2031 CA ASP A1040 0.356 -13.828 -5.960 1.00 0.00 C ATOM 2032 C ASP A1040 1.504 -14.799 -6.217 1.00 0.00 C ATOM 2033 O ASP A1040 1.288 -15.976 -6.532 1.00 0.00 O ATOM 2034 CB ASP A1040 0.180 -12.855 -7.124 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.277 -12.608 -7.427 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.093 -13.507 -7.141 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -1.610 -11.536 -7.975 1.00 0.00 O ATOM 0 H ASP A1040 0.701 -12.109 -4.797 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.565 -14.404 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.668 -11.910 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A1040 0.674 -13.254 -8.010 1.00 0.00 H new ATOM 2042 N GLN A1041 2.721 -14.314 -6.046 1.00 0.00 N ATOM 2043 CA GLN A1041 3.891 -15.164 -6.094 1.00 0.00 C ATOM 2044 C GLN A1041 3.788 -16.220 -5.000 1.00 0.00 C ATOM 2045 O GLN A1041 4.001 -17.393 -5.244 1.00 0.00 O ATOM 2046 CB GLN A1041 5.162 -14.341 -5.868 1.00 0.00 C ATOM 2047 CG GLN A1041 5.560 -13.461 -7.039 1.00 0.00 C ATOM 2048 CD GLN A1041 6.730 -12.554 -6.716 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.891 -12.925 -6.894 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.430 -11.353 -6.251 1.00 0.00 N ATOM 0 H GLN A1041 2.922 -13.329 -5.872 1.00 0.00 H new ATOM 0 HA GLN A1041 3.941 -15.636 -7.075 1.00 0.00 H new ATOM 0 HB2 GLN A1041 5.021 -13.712 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.985 -15.021 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.818 -14.091 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.706 -12.853 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.454 -11.086 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.174 -10.693 -6.025 1.00 0.00 H new ATOM 2059 N ALA A1042 3.423 -15.766 -3.800 1.00 0.00 N ATOM 2060 CA ALA A1042 3.351 -16.601 -2.603 1.00 0.00 C ATOM 2061 C ALA A1042 2.463 -17.803 -2.789 1.00 0.00 C ATOM 2062 O ALA A1042 2.869 -18.930 -2.506 1.00 0.00 O ATOM 2063 CB ALA A1042 2.810 -15.792 -1.440 1.00 0.00 C ATOM 0 H ALA A1042 3.166 -14.794 -3.631 1.00 0.00 H new ATOM 0 HA ALA A1042 4.365 -16.948 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A1042 2.759 -16.421 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.469 -14.945 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.812 -15.427 -1.684 1.00 0.00 H new ATOM 2069 N ARG A1043 1.245 -17.569 -3.258 1.00 0.00 N ATOM 2070 CA ARG A1043 0.274 -18.636 -3.343 1.00 0.00 C ATOM 2071 C ARG A1043 0.769 -19.715 -4.287 1.00 0.00 C ATOM 2072 O ARG A1043 0.516 -20.886 -4.073 1.00 0.00 O ATOM 2073 CB ARG A1043 -1.108 -18.126 -3.783 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.082 -17.242 -5.018 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.482 -16.908 -5.521 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.399 -16.531 -4.439 1.00 0.00 N ATOM 2077 CZ ARG A1043 -3.897 -15.301 -4.257 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -3.522 -14.296 -5.043 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.785 -15.086 -3.290 1.00 0.00 N ATOM 0 H ARG A1043 0.914 -16.660 -3.580 1.00 0.00 H new ATOM 0 HA ARG A1043 0.157 -19.057 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.754 -18.982 -3.977 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.556 -17.568 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.551 -16.318 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.524 -17.743 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.420 -16.091 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.888 -17.769 -6.052 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.677 -17.257 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -2.849 -14.458 -5.792 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -3.907 -13.363 -4.896 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.084 -15.856 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -5.167 -14.151 -3.147 1.00 0.00 H new ATOM 2093 N LEU A1044 1.475 -19.336 -5.337 1.00 0.00 N ATOM 2094 CA LEU A1044 2.063 -20.348 -6.199 1.00 0.00 C ATOM 2095 C LEU A1044 3.399 -20.849 -5.650 1.00 0.00 C ATOM 2096 O LEU A1044 3.670 -22.037 -5.664 1.00 0.00 O ATOM 2097 CB LEU A1044 2.230 -19.842 -7.630 1.00 0.00 C ATOM 2098 CG LEU A1044 0.930 -19.480 -8.345 1.00 0.00 C ATOM 2099 CD1 LEU A1044 1.160 -19.439 -9.839 1.00 0.00 C ATOM 2100 CD2 LEU A1044 -0.175 -20.469 -8.006 1.00 0.00 C ATOM 0 H LEU A1044 1.652 -18.369 -5.609 1.00 0.00 H new ATOM 0 HA LEU A1044 1.368 -21.188 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A1044 2.875 -18.964 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.746 -20.606 -8.211 1.00 0.00 H new ATOM 0 HG LEU A1044 0.613 -18.494 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A1044 0.229 -19.180 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A1044 1.918 -18.691 -10.070 1.00 0.00 H new ATOM 0 HD13 LEU A1044 1.499 -20.417 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -1.089 -20.187 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A1044 0.125 -21.470 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -0.354 -20.460 -6.931 1.00 0.00 H new