USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1014 GLN : amide:sc= -3.84! K(o=-5!,f=-1.6) USER MOD Set 1.2: A1015 GLN : amide:sc= -1.14 K(o=-5,f=-1.6) USER MOD Set 2.1: A1003 LYS NZ :NH3+ 142:sc= 0.759 (180deg=-0.527) USER MOD Set 2.2: A1006 GLN : amide:sc= -0.646! K(o=-0.097!,f=-4.2) USER MOD Set 2.3: A1007 GLN : amide:sc= -0.209 X(o=-0.097,f=-0.42) USER MOD Set 3.1: A 954 MET CE :methyl 156:sc= -2.91! (180deg=-2.39!) USER MOD Set 3.2: A1021 MET CE :methyl -144:sc= -4.09! (180deg=-5.05!) USER MOD Set 4.1: A 928 ASN : amide:sc= -2.11 K(o=-2.5,f=-11!) USER MOD Set 4.2: A 968 THR OG1 : rot -132:sc= -0.417 USER MOD Single : A 924 LYS NZ :NH3+ 166:sc= -0.0166 (180deg=-0.218) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 133:sc= -0.116 (180deg=-2.09!) USER MOD Single : A 940 SER OG : rot -100:sc= -0.202 USER MOD Single : A 951 TYR OH : rot 30:sc= -1.47 USER MOD Single : A 956 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.993) USER MOD Single : A 964 THR OG1 : rot 98:sc= 1.31 USER MOD Single : A 972 SER OG : rot 84:sc= 1.27 USER MOD Single : A 980 THR OG1 : rot 29:sc= 0.0968 USER MOD Single : A 981 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -4.62! K(o=-4.6!,f=-0.57) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.2!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 1.16 K(o=1.2,f=-0.063) USER MOD Single : A1001 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00444) USER MOD Single : A1002 MET CE :methyl 151:sc= -4.96! (180deg=-7.11!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 169:sc= 0 (180deg=-0.163) USER MOD Single : A1011 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1017 TYR OH : rot 180:sc= -0.342 USER MOD Single : A1018 LYS NZ :NH3+ -164:sc= 1.55 (180deg=0.979) USER MOD Single : A1019 LYS NZ :NH3+ 176:sc= -0.178 (180deg=-0.192) USER MOD Single : A1020 GLN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A1023 THR OG1 : rot 65:sc= 1.33 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A1041 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -9.090 -8.681 -3.510 1.00 0.00 N ATOM 180 CA LYS A 924 -9.464 -7.496 -2.754 1.00 0.00 C ATOM 181 C LYS A 924 -8.261 -6.630 -2.390 1.00 0.00 C ATOM 182 O LYS A 924 -8.399 -5.411 -2.299 1.00 0.00 O ATOM 183 CB LYS A 924 -10.167 -7.914 -1.470 1.00 0.00 C ATOM 184 CG LYS A 924 -11.482 -8.635 -1.699 1.00 0.00 C ATOM 185 CD LYS A 924 -12.418 -7.804 -2.561 1.00 0.00 C ATOM 186 CE LYS A 924 -13.757 -8.493 -2.760 1.00 0.00 C ATOM 187 NZ LYS A 924 -14.493 -8.666 -1.478 1.00 0.00 N ATOM 0 HA LYS A 924 -10.124 -6.906 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.503 -8.562 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.350 -7.028 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.295 -9.595 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.956 -8.846 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.575 -6.831 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.955 -7.622 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.365 -7.910 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.598 -9.468 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -15.483 -8.916 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.049 -9.425 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -14.462 -7.778 -0.938 1.00 0.00 H new ATOM 201 N VAL A 925 -7.091 -7.236 -2.197 1.00 0.00 N ATOM 202 CA VAL A 925 -5.892 -6.469 -1.838 1.00 0.00 C ATOM 203 C VAL A 925 -5.616 -5.355 -2.858 1.00 0.00 C ATOM 204 O VAL A 925 -5.321 -4.225 -2.480 1.00 0.00 O ATOM 205 CB VAL A 925 -4.637 -7.363 -1.685 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.798 -8.327 -0.524 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.356 -8.131 -2.967 1.00 0.00 C ATOM 0 H VAL A 925 -6.944 -8.242 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.100 -6.020 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.788 -6.710 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.904 -8.944 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.942 -7.765 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.664 -8.966 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.470 -8.751 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.210 -8.765 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.187 -7.428 -3.783 1.00 0.00 H new ATOM 217 N TYR A 926 -5.780 -5.648 -4.138 1.00 0.00 N ATOM 218 CA TYR A 926 -5.552 -4.656 -5.187 1.00 0.00 C ATOM 219 C TYR A 926 -6.726 -3.724 -5.312 1.00 0.00 C ATOM 220 O TYR A 926 -6.579 -2.634 -5.851 1.00 0.00 O ATOM 221 CB TYR A 926 -5.188 -5.287 -6.550 1.00 0.00 C ATOM 222 CG TYR A 926 -6.276 -6.090 -7.225 1.00 0.00 C ATOM 223 CD1 TYR A 926 -7.563 -5.598 -7.344 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.007 -7.343 -7.748 1.00 0.00 C ATOM 225 CE1 TYR A 926 -8.555 -6.320 -7.944 1.00 0.00 C ATOM 226 CE2 TYR A 926 -6.997 -8.078 -8.363 1.00 0.00 C ATOM 227 CZ TYR A 926 -8.273 -7.564 -8.458 1.00 0.00 C ATOM 228 OH TYR A 926 -9.262 -8.300 -9.066 1.00 0.00 O ATOM 0 H TYR A 926 -6.070 -6.564 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.682 -4.076 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.882 -4.489 -7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -4.323 -5.934 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -7.790 -4.617 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.009 -7.749 -7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -9.554 -5.917 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -6.774 -9.054 -8.769 1.00 0.00 H new ATOM 0 HH TYR A 926 -8.892 -9.154 -9.374 1.00 0.00 H new ATOM 238 N GLU A 927 -7.884 -4.104 -4.838 1.00 0.00 N ATOM 239 CA GLU A 927 -8.953 -3.138 -4.803 1.00 0.00 C ATOM 240 C GLU A 927 -8.828 -2.171 -3.633 1.00 0.00 C ATOM 241 O GLU A 927 -9.345 -1.053 -3.696 1.00 0.00 O ATOM 242 CB GLU A 927 -10.330 -3.732 -4.916 1.00 0.00 C ATOM 243 CG GLU A 927 -11.075 -2.984 -5.972 1.00 0.00 C ATOM 244 CD GLU A 927 -12.577 -3.007 -5.800 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.094 -2.232 -4.968 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.250 -3.783 -6.508 1.00 0.00 O ATOM 0 H GLU A 927 -8.108 -5.034 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.828 -2.552 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.268 -4.790 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.853 -3.665 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.736 -1.948 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.825 -3.405 -6.946 1.00 0.00 H new ATOM 253 N ASN A 928 -8.147 -2.560 -2.579 1.00 0.00 N ATOM 254 CA ASN A 928 -7.763 -1.602 -1.550 1.00 0.00 C ATOM 255 C ASN A 928 -6.676 -0.695 -2.126 1.00 0.00 C ATOM 256 O ASN A 928 -6.517 0.456 -1.726 1.00 0.00 O ATOM 257 CB ASN A 928 -7.285 -2.326 -0.297 1.00 0.00 C ATOM 258 CG ASN A 928 -8.232 -3.441 0.098 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.812 -4.456 0.624 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.523 -3.263 -0.160 1.00 0.00 N ATOM 0 H ASN A 928 -7.847 -3.520 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.620 -0.995 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.290 -2.737 -0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.197 -1.614 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -10.197 -3.989 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.841 -2.400 -0.602 1.00 0.00 H new ATOM 267 N VAL A 929 -5.953 -1.255 -3.090 1.00 0.00 N ATOM 268 CA VAL A 929 -4.931 -0.557 -3.873 1.00 0.00 C ATOM 269 C VAL A 929 -5.584 0.369 -4.896 1.00 0.00 C ATOM 270 O VAL A 929 -5.038 1.438 -5.177 1.00 0.00 O ATOM 271 CB VAL A 929 -3.991 -1.554 -4.595 1.00 0.00 C ATOM 272 CG1 VAL A 929 -3.087 -0.844 -5.589 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.160 -2.328 -3.586 1.00 0.00 C ATOM 0 H VAL A 929 -6.062 -2.233 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.333 0.035 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.614 -2.255 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.440 -1.573 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.696 -0.339 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.475 -0.110 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.505 -3.024 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.557 -1.633 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.821 -2.883 -2.920 1.00 0.00 H new ATOM 283 N THR A 930 -6.738 0.026 -5.421 1.00 0.00 N ATOM 284 CA THR A 930 -7.469 0.980 -6.233 1.00 0.00 C ATOM 285 C THR A 930 -7.782 2.216 -5.388 1.00 0.00 C ATOM 286 O THR A 930 -7.621 3.350 -5.829 1.00 0.00 O ATOM 287 CB THR A 930 -8.776 0.371 -6.778 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.509 -0.930 -7.315 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.377 1.253 -7.864 1.00 0.00 C ATOM 0 H THR A 930 -7.185 -0.884 -5.307 1.00 0.00 H new ATOM 0 HA THR A 930 -6.851 1.256 -7.088 1.00 0.00 H new ATOM 0 HB THR A 930 -9.490 0.297 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 930 -9.340 -1.318 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.298 0.801 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.595 2.239 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.668 1.352 -8.686 1.00 0.00 H new ATOM 297 N GLY A 931 -8.197 1.967 -4.155 1.00 0.00 N ATOM 298 CA GLY A 931 -8.494 3.047 -3.234 1.00 0.00 C ATOM 299 C GLY A 931 -7.256 3.815 -2.774 1.00 0.00 C ATOM 300 O GLY A 931 -7.213 5.040 -2.881 1.00 0.00 O ATOM 0 H GLY A 931 -8.334 1.031 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.185 3.741 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -9.004 2.639 -2.361 1.00 0.00 H new ATOM 304 N LEU A 932 -6.247 3.099 -2.271 1.00 0.00 N ATOM 305 CA LEU A 932 -5.044 3.743 -1.721 1.00 0.00 C ATOM 306 C LEU A 932 -4.228 4.487 -2.786 1.00 0.00 C ATOM 307 O LEU A 932 -3.872 5.651 -2.600 1.00 0.00 O ATOM 308 CB LEU A 932 -4.164 2.716 -0.969 1.00 0.00 C ATOM 309 CG LEU A 932 -3.296 1.767 -1.795 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.892 2.331 -1.967 1.00 0.00 C ATOM 311 CD2 LEU A 932 -3.234 0.407 -1.123 1.00 0.00 C ATOM 0 H LEU A 932 -6.235 2.080 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.389 4.495 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.507 3.269 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.820 2.109 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.744 1.659 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.292 1.639 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.946 3.292 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.432 2.466 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.614 -0.264 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.804 0.513 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -4.240 -0.005 -1.042 1.00 0.00 H new ATOM 323 N VAL A 933 -3.947 3.814 -3.906 1.00 0.00 N ATOM 324 CA VAL A 933 -3.066 4.362 -4.939 1.00 0.00 C ATOM 325 C VAL A 933 -3.691 5.573 -5.607 1.00 0.00 C ATOM 326 O VAL A 933 -3.008 6.565 -5.890 1.00 0.00 O ATOM 327 CB VAL A 933 -2.728 3.309 -6.019 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.008 3.944 -7.201 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.876 2.200 -5.430 1.00 0.00 C ATOM 0 H VAL A 933 -4.318 2.888 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.145 4.660 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.667 2.886 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.783 3.179 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.645 4.708 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.079 4.401 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.647 1.467 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.948 2.621 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.420 1.714 -4.620 1.00 0.00 H new ATOM 339 N LYS A 934 -4.986 5.487 -5.863 1.00 0.00 N ATOM 340 CA LYS A 934 -5.696 6.581 -6.499 1.00 0.00 C ATOM 341 C LYS A 934 -5.564 7.847 -5.667 1.00 0.00 C ATOM 342 O LYS A 934 -5.213 8.904 -6.190 1.00 0.00 O ATOM 343 CB LYS A 934 -7.166 6.218 -6.706 1.00 0.00 C ATOM 344 CG LYS A 934 -7.524 5.821 -8.132 1.00 0.00 C ATOM 345 CD LYS A 934 -6.786 4.571 -8.586 1.00 0.00 C ATOM 346 CE LYS A 934 -5.443 4.896 -9.224 1.00 0.00 C ATOM 347 NZ LYS A 934 -4.823 3.697 -9.848 1.00 0.00 N ATOM 0 H LYS A 934 -5.563 4.676 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.252 6.764 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.421 5.395 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.782 7.069 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.598 5.651 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -7.288 6.644 -8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -6.630 3.912 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -7.403 4.026 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -5.577 5.670 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -4.770 5.301 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -3.910 3.959 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -4.671 2.967 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -5.453 3.325 -10.587 1.00 0.00 H new ATOM 361 N ALA A 935 -5.788 7.713 -4.364 1.00 0.00 N ATOM 362 CA ALA A 935 -5.699 8.844 -3.443 1.00 0.00 C ATOM 363 C ALA A 935 -4.322 9.503 -3.509 1.00 0.00 C ATOM 364 O ALA A 935 -4.218 10.725 -3.539 1.00 0.00 O ATOM 365 CB ALA A 935 -6.005 8.388 -2.023 1.00 0.00 C ATOM 0 H ALA A 935 -6.034 6.829 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.438 9.587 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.936 9.239 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.012 7.973 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.286 7.625 -1.723 1.00 0.00 H new ATOM 371 N VAL A 936 -3.277 8.674 -3.549 1.00 0.00 N ATOM 372 CA VAL A 936 -1.888 9.143 -3.663 1.00 0.00 C ATOM 373 C VAL A 936 -1.747 10.260 -4.695 1.00 0.00 C ATOM 374 O VAL A 936 -1.486 11.405 -4.347 1.00 0.00 O ATOM 375 CB VAL A 936 -0.957 7.982 -4.070 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.455 8.479 -4.343 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.961 6.897 -3.004 1.00 0.00 C ATOM 0 H VAL A 936 -3.366 7.659 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.605 9.529 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.337 7.551 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.088 7.638 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.434 9.208 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.856 8.947 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.299 6.086 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.614 7.314 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.973 6.512 -2.880 1.00 0.00 H new ATOM 387 N ILE A 937 -1.934 9.914 -5.951 1.00 0.00 N ATOM 388 CA ILE A 937 -1.768 10.859 -7.052 1.00 0.00 C ATOM 389 C ILE A 937 -2.877 11.910 -7.103 1.00 0.00 C ATOM 390 O ILE A 937 -2.587 13.120 -7.153 1.00 0.00 O ATOM 391 CB ILE A 937 -1.687 10.121 -8.409 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.831 9.108 -8.549 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.338 9.433 -8.547 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.827 8.359 -9.865 1.00 0.00 C ATOM 0 H ILE A 937 -2.204 8.975 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.829 11.380 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.790 10.853 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.769 8.389 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.782 9.631 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.290 8.916 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.457 10.177 -8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.213 8.712 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.665 7.662 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.921 9.068 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.893 7.807 -9.967 1.00 0.00 H new ATOM 406 N GLU A 938 -4.126 11.486 -7.045 1.00 0.00 N ATOM 407 CA GLU A 938 -5.217 12.409 -7.326 1.00 0.00 C ATOM 408 C GLU A 938 -5.411 13.398 -6.187 1.00 0.00 C ATOM 409 O GLU A 938 -5.735 14.551 -6.416 1.00 0.00 O ATOM 410 CB GLU A 938 -6.529 11.697 -7.672 1.00 0.00 C ATOM 411 CG GLU A 938 -7.223 11.004 -6.516 1.00 0.00 C ATOM 412 CD GLU A 938 -8.519 10.353 -6.953 1.00 0.00 C ATOM 413 OE1 GLU A 938 -8.464 9.354 -7.702 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.600 10.857 -6.581 1.00 0.00 O ATOM 0 H GLU A 938 -4.409 10.534 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 938 -4.925 12.966 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.216 12.427 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.327 10.958 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -6.560 10.249 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.427 11.728 -5.727 1.00 0.00 H new ATOM 421 N MET A 939 -5.202 12.984 -4.955 1.00 0.00 N ATOM 422 CA MET A 939 -5.334 13.939 -3.877 1.00 0.00 C ATOM 423 C MET A 939 -4.130 14.869 -3.877 1.00 0.00 C ATOM 424 O MET A 939 -4.279 16.083 -3.747 1.00 0.00 O ATOM 425 CB MET A 939 -5.518 13.254 -2.520 1.00 0.00 C ATOM 426 CG MET A 939 -6.803 12.447 -2.435 1.00 0.00 C ATOM 427 SD MET A 939 -7.120 11.792 -0.788 1.00 0.00 S ATOM 428 CE MET A 939 -8.606 10.840 -1.093 1.00 0.00 C ATOM 0 H MET A 939 -4.951 12.034 -4.682 1.00 0.00 H new ATOM 0 HA MET A 939 -6.237 14.527 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.669 12.597 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.516 14.009 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.640 13.076 -2.736 1.00 0.00 H new ATOM 0 HG3 MET A 939 -6.754 11.621 -3.144 1.00 0.00 H new ATOM 0 HE1 MET A 939 -8.506 9.854 -0.640 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.463 11.354 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.755 10.732 -2.167 1.00 0.00 H new ATOM 438 N SER A 940 -2.969 14.280 -4.202 1.00 0.00 N ATOM 439 CA SER A 940 -1.657 14.910 -4.035 1.00 0.00 C ATOM 440 C SER A 940 -1.593 16.311 -4.610 1.00 0.00 C ATOM 441 O SER A 940 -1.234 17.268 -3.925 1.00 0.00 O ATOM 442 CB SER A 940 -0.609 14.080 -4.775 1.00 0.00 C ATOM 443 OG SER A 940 0.678 14.667 -4.671 1.00 0.00 O ATOM 0 H SER A 940 -2.918 13.339 -4.593 1.00 0.00 H new ATOM 0 HA SER A 940 -1.473 14.964 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 940 -0.585 13.070 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.887 13.991 -5.825 1.00 0.00 H new ATOM 0 HG SER A 940 0.880 15.160 -5.494 1.00 0.00 H new ATOM 600 N TYR A 951 -3.805 16.620 3.363 1.00 0.00 N ATOM 601 CA TYR A 951 -2.733 15.677 3.685 1.00 0.00 C ATOM 602 C TYR A 951 -3.132 14.824 4.883 1.00 0.00 C ATOM 603 O TYR A 951 -3.234 13.612 4.783 1.00 0.00 O ATOM 604 CB TYR A 951 -1.400 16.405 3.985 1.00 0.00 C ATOM 605 CG TYR A 951 -0.984 17.465 2.968 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.803 17.821 1.907 1.00 0.00 C ATOM 607 CD2 TYR A 951 0.234 18.122 3.081 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.425 18.780 0.995 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.616 19.085 2.163 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.222 19.410 1.129 1.00 0.00 C ATOM 611 OH TYR A 951 0.153 20.351 0.207 1.00 0.00 O ATOM 0 HA TYR A 951 -2.580 15.041 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.477 16.877 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.607 15.660 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.760 17.334 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.895 17.877 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.080 19.034 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.572 19.579 2.262 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.645 20.791 -0.155 1.00 0.00 H new ATOM 621 N VAL A 952 -3.329 15.474 6.022 1.00 0.00 N ATOM 622 CA VAL A 952 -3.903 14.824 7.197 1.00 0.00 C ATOM 623 C VAL A 952 -5.236 14.151 6.852 1.00 0.00 C ATOM 624 O VAL A 952 -5.457 12.998 7.225 1.00 0.00 O ATOM 625 CB VAL A 952 -4.113 15.818 8.363 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.692 15.109 9.580 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.807 16.510 8.720 1.00 0.00 C ATOM 0 H VAL A 952 -3.098 16.458 6.159 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.188 14.067 7.519 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.826 16.576 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.831 15.828 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.653 14.665 9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -4.007 14.326 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.976 17.205 9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -2.071 15.765 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.436 17.057 7.853 1.00 0.00 H new ATOM 637 N PRO A 953 -6.162 14.858 6.159 1.00 0.00 N ATOM 638 CA PRO A 953 -7.390 14.239 5.653 1.00 0.00 C ATOM 639 C PRO A 953 -7.113 12.989 4.813 1.00 0.00 C ATOM 640 O PRO A 953 -7.883 12.029 4.817 1.00 0.00 O ATOM 641 CB PRO A 953 -8.022 15.339 4.808 1.00 0.00 C ATOM 642 CG PRO A 953 -7.562 16.592 5.455 1.00 0.00 C ATOM 643 CD PRO A 953 -6.154 16.314 5.906 1.00 0.00 C ATOM 0 HA PRO A 953 -8.034 13.890 6.460 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.696 15.282 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.110 15.266 4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.593 17.429 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.200 16.856 6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.425 16.586 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.900 16.877 6.804 1.00 0.00 H new ATOM 651 N MET A 954 -6.003 13.026 4.096 1.00 0.00 N ATOM 652 CA MET A 954 -5.548 11.914 3.276 1.00 0.00 C ATOM 653 C MET A 954 -4.938 10.814 4.135 1.00 0.00 C ATOM 654 O MET A 954 -5.028 9.641 3.792 1.00 0.00 O ATOM 655 CB MET A 954 -4.533 12.429 2.262 1.00 0.00 C ATOM 656 CG MET A 954 -3.610 11.377 1.662 1.00 0.00 C ATOM 657 SD MET A 954 -4.478 10.140 0.680 1.00 0.00 S ATOM 658 CE MET A 954 -3.098 9.293 -0.082 1.00 0.00 C ATOM 0 H MET A 954 -5.385 13.837 4.066 1.00 0.00 H new ATOM 0 HA MET A 954 -6.401 11.483 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.073 12.918 1.451 1.00 0.00 H new ATOM 0 HB3 MET A 954 -3.921 13.192 2.743 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.867 11.871 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.069 10.878 2.466 1.00 0.00 H new ATOM 0 HE1 MET A 954 -3.400 8.283 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.785 9.836 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 954 -2.268 9.243 0.623 1.00 0.00 H new ATOM 668 N VAL A 955 -4.323 11.192 5.255 1.00 0.00 N ATOM 669 CA VAL A 955 -3.827 10.209 6.213 1.00 0.00 C ATOM 670 C VAL A 955 -4.964 9.268 6.582 1.00 0.00 C ATOM 671 O VAL A 955 -4.798 8.052 6.641 1.00 0.00 O ATOM 672 CB VAL A 955 -3.287 10.861 7.511 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.798 9.798 8.486 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.169 11.845 7.213 1.00 0.00 C ATOM 0 H VAL A 955 -4.158 12.163 5.519 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.002 9.677 5.740 1.00 0.00 H new ATOM 0 HB VAL A 955 -4.111 11.408 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.423 10.278 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.623 9.133 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.998 9.221 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.813 12.284 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.348 11.324 6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.543 12.633 6.560 1.00 0.00 H new ATOM 684 N LYS A 956 -6.118 9.860 6.818 1.00 0.00 N ATOM 685 CA LYS A 956 -7.339 9.123 7.080 1.00 0.00 C ATOM 686 C LYS A 956 -7.827 8.354 5.840 1.00 0.00 C ATOM 687 O LYS A 956 -8.356 7.250 5.963 1.00 0.00 O ATOM 688 CB LYS A 956 -8.389 10.112 7.614 1.00 0.00 C ATOM 689 CG LYS A 956 -9.838 9.762 7.323 1.00 0.00 C ATOM 690 CD LYS A 956 -10.306 10.394 6.022 1.00 0.00 C ATOM 691 CE LYS A 956 -11.813 10.277 5.869 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.292 10.861 4.592 1.00 0.00 N ATOM 0 H LYS A 956 -6.236 10.873 6.834 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.153 8.357 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.265 10.195 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.181 11.095 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.949 8.679 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.469 10.103 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.015 11.444 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -9.813 9.908 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -12.101 9.227 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.302 10.781 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.258 11.226 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -11.662 11.639 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.292 10.129 3.854 1.00 0.00 H new ATOM 706 N GLU A 957 -7.614 8.911 4.650 1.00 0.00 N ATOM 707 CA GLU A 957 -8.120 8.298 3.419 1.00 0.00 C ATOM 708 C GLU A 957 -7.263 7.114 2.974 1.00 0.00 C ATOM 709 O GLU A 957 -7.783 6.039 2.663 1.00 0.00 O ATOM 710 CB GLU A 957 -8.173 9.332 2.297 1.00 0.00 C ATOM 711 CG GLU A 957 -9.426 10.185 2.311 1.00 0.00 C ATOM 712 CD GLU A 957 -10.665 9.391 1.962 1.00 0.00 C ATOM 713 OE1 GLU A 957 -10.859 9.074 0.772 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.458 9.085 2.873 1.00 0.00 O ATOM 0 H GLU A 957 -7.098 9.780 4.510 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.123 7.929 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.301 9.982 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.105 8.818 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.549 10.630 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.312 11.006 1.603 1.00 0.00 H new ATOM 721 N VAL A 958 -5.953 7.304 2.973 1.00 0.00 N ATOM 722 CA VAL A 958 -5.037 6.247 2.574 1.00 0.00 C ATOM 723 C VAL A 958 -4.839 5.284 3.722 1.00 0.00 C ATOM 724 O VAL A 958 -4.673 4.090 3.500 1.00 0.00 O ATOM 725 CB VAL A 958 -3.669 6.788 2.087 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.898 7.457 3.216 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.840 5.676 1.458 1.00 0.00 C ATOM 0 H VAL A 958 -5.501 8.178 3.243 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.489 5.731 1.727 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.868 7.544 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.944 7.824 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.478 8.292 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.719 6.734 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.884 6.079 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.665 4.892 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.377 5.260 0.605 1.00 0.00 H new ATOM 737 N GLY A 959 -4.905 5.798 4.944 1.00 0.00 N ATOM 738 CA GLY A 959 -4.825 4.945 6.107 1.00 0.00 C ATOM 739 C GLY A 959 -5.935 3.924 6.104 1.00 0.00 C ATOM 740 O GLY A 959 -5.719 2.759 6.427 1.00 0.00 O ATOM 0 H GLY A 959 -5.013 6.792 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.860 4.439 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.885 5.550 7.012 1.00 0.00 H new ATOM 744 N LEU A 960 -7.120 4.365 5.703 1.00 0.00 N ATOM 745 CA LEU A 960 -8.273 3.488 5.582 1.00 0.00 C ATOM 746 C LEU A 960 -8.075 2.470 4.459 1.00 0.00 C ATOM 747 O LEU A 960 -8.516 1.332 4.567 1.00 0.00 O ATOM 748 CB LEU A 960 -9.539 4.305 5.325 1.00 0.00 C ATOM 749 CG LEU A 960 -10.850 3.521 5.427 1.00 0.00 C ATOM 750 CD1 LEU A 960 -11.123 3.126 6.869 1.00 0.00 C ATOM 751 CD2 LEU A 960 -12.007 4.335 4.866 1.00 0.00 C ATOM 0 H LEU A 960 -7.307 5.336 5.454 1.00 0.00 H new ATOM 0 HA LEU A 960 -8.381 2.947 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.571 5.130 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.473 4.745 4.330 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.753 2.612 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -12.059 2.570 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -10.308 2.502 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.198 4.023 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.930 3.760 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -12.106 5.263 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.815 4.566 3.818 1.00 0.00 H new ATOM 763 N ALA A 961 -7.385 2.861 3.399 1.00 0.00 N ATOM 764 CA ALA A 961 -7.217 1.992 2.249 1.00 0.00 C ATOM 765 C ALA A 961 -6.110 0.974 2.500 1.00 0.00 C ATOM 766 O ALA A 961 -6.340 -0.227 2.453 1.00 0.00 O ATOM 767 CB ALA A 961 -6.910 2.828 1.020 1.00 0.00 C ATOM 0 H ALA A 961 -6.934 3.772 3.313 1.00 0.00 H new ATOM 0 HA ALA A 961 -8.143 1.443 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.784 2.174 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.733 3.519 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.992 3.393 1.184 1.00 0.00 H new ATOM 773 N LEU A 962 -4.912 1.483 2.756 1.00 0.00 N ATOM 774 CA LEU A 962 -3.772 0.669 3.177 1.00 0.00 C ATOM 775 C LEU A 962 -4.111 -0.251 4.359 1.00 0.00 C ATOM 776 O LEU A 962 -3.590 -1.361 4.417 1.00 0.00 O ATOM 777 CB LEU A 962 -2.551 1.578 3.467 1.00 0.00 C ATOM 778 CG LEU A 962 -2.620 2.446 4.739 1.00 0.00 C ATOM 779 CD1 LEU A 962 -2.314 1.643 5.996 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.669 3.624 4.621 1.00 0.00 C ATOM 0 H LEU A 962 -4.699 2.478 2.678 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.512 0.001 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.665 0.947 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.408 2.239 2.612 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.642 2.815 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -2.374 2.295 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -3.038 0.835 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -1.310 1.224 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.726 4.230 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.650 3.258 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.947 4.231 3.759 1.00 0.00 H new ATOM 792 N ARG A 963 -4.955 0.163 5.304 1.00 0.00 N ATOM 793 CA ARG A 963 -5.362 -0.778 6.353 1.00 0.00 C ATOM 794 C ARG A 963 -6.301 -1.837 5.795 1.00 0.00 C ATOM 795 O ARG A 963 -6.195 -3.003 6.172 1.00 0.00 O ATOM 796 CB ARG A 963 -6.014 -0.095 7.551 1.00 0.00 C ATOM 797 CG ARG A 963 -7.450 0.330 7.282 1.00 0.00 C ATOM 798 CD ARG A 963 -7.974 1.311 8.316 1.00 0.00 C ATOM 799 NE ARG A 963 -7.996 0.760 9.670 1.00 0.00 N ATOM 800 CZ ARG A 963 -8.149 1.503 10.767 1.00 0.00 C ATOM 801 NH1 ARG A 963 -8.313 2.817 10.669 1.00 0.00 N ATOM 802 NH2 ARG A 963 -8.145 0.933 11.963 1.00 0.00 N ATOM 0 H ARG A 963 -5.356 1.099 5.369 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.445 -1.248 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.995 -0.773 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -5.427 0.781 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -7.511 0.784 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -8.089 -0.553 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -7.354 2.207 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.982 1.618 8.039 1.00 0.00 H new ATOM 0 HE ARG A 963 -7.888 -0.248 9.782 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -8.322 3.263 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -8.430 3.381 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -8.025 -0.076 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -8.262 1.504 12.800 1.00 0.00 H new ATOM 816 N THR A 964 -7.206 -1.452 4.896 1.00 0.00 N ATOM 817 CA THR A 964 -8.074 -2.426 4.266 1.00 0.00 C ATOM 818 C THR A 964 -7.214 -3.391 3.466 1.00 0.00 C ATOM 819 O THR A 964 -7.486 -4.589 3.404 1.00 0.00 O ATOM 820 CB THR A 964 -9.138 -1.759 3.361 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.869 -0.782 4.118 1.00 0.00 O ATOM 822 CG2 THR A 964 -10.120 -2.793 2.836 1.00 0.00 C ATOM 0 H THR A 964 -7.351 -0.488 4.596 1.00 0.00 H new ATOM 0 HA THR A 964 -8.621 -2.963 5.041 1.00 0.00 H new ATOM 0 HB THR A 964 -8.626 -1.287 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 964 -9.498 0.109 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.859 -2.304 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.583 -3.543 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.623 -3.276 3.674 1.00 0.00 H new ATOM 830 N LEU A 965 -6.138 -2.848 2.907 1.00 0.00 N ATOM 831 CA LEU A 965 -5.156 -3.630 2.177 1.00 0.00 C ATOM 832 C LEU A 965 -4.413 -4.577 3.106 1.00 0.00 C ATOM 833 O LEU A 965 -4.213 -5.750 2.808 1.00 0.00 O ATOM 834 CB LEU A 965 -4.142 -2.705 1.507 1.00 0.00 C ATOM 835 CG LEU A 965 -2.904 -3.427 0.959 1.00 0.00 C ATOM 836 CD1 LEU A 965 -3.268 -4.289 -0.236 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.825 -2.435 0.585 1.00 0.00 C ATOM 0 H LEU A 965 -5.925 -1.851 2.949 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.687 -4.212 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.633 -2.176 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.822 -1.952 2.227 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.517 -4.075 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.375 -4.791 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -4.005 -5.034 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.686 -3.662 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.957 -2.970 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -2.203 -1.757 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.536 -1.862 1.466 1.00 0.00 H new ATOM 849 N LEU A 966 -4.002 -4.046 4.248 1.00 0.00 N ATOM 850 CA LEU A 966 -3.215 -4.810 5.194 1.00 0.00 C ATOM 851 C LEU A 966 -4.086 -5.918 5.752 1.00 0.00 C ATOM 852 O LEU A 966 -3.620 -7.017 6.002 1.00 0.00 O ATOM 853 CB LEU A 966 -2.694 -3.889 6.311 1.00 0.00 C ATOM 854 CG LEU A 966 -1.742 -4.528 7.333 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.823 -3.470 7.923 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.520 -5.210 8.451 1.00 0.00 C ATOM 0 H LEU A 966 -4.202 -3.089 4.539 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.347 -5.250 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.182 -3.046 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.552 -3.485 6.849 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.146 -5.280 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.152 -3.933 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.237 -3.012 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.420 -2.705 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.823 -5.654 9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.140 -4.475 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.155 -5.990 8.030 1.00 0.00 H new ATOM 868 N ALA A 967 -5.368 -5.595 5.934 1.00 0.00 N ATOM 869 CA ALA A 967 -6.359 -6.542 6.428 1.00 0.00 C ATOM 870 C ALA A 967 -6.727 -7.586 5.382 1.00 0.00 C ATOM 871 O ALA A 967 -6.975 -8.724 5.739 1.00 0.00 O ATOM 872 CB ALA A 967 -7.600 -5.818 6.927 1.00 0.00 C ATOM 0 H ALA A 967 -5.745 -4.667 5.742 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.906 -7.071 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.325 -6.546 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.326 -5.143 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -8.040 -5.245 6.111 1.00 0.00 H new ATOM 878 N THR A 968 -6.755 -7.234 4.103 1.00 0.00 N ATOM 879 CA THR A 968 -6.979 -8.246 3.071 1.00 0.00 C ATOM 880 C THR A 968 -5.784 -9.193 3.004 1.00 0.00 C ATOM 881 O THR A 968 -5.936 -10.402 2.834 1.00 0.00 O ATOM 882 CB THR A 968 -7.243 -7.620 1.690 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.421 -6.470 1.513 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.704 -7.241 1.540 1.00 0.00 C ATOM 0 H THR A 968 -6.629 -6.282 3.758 1.00 0.00 H new ATOM 0 HA THR A 968 -7.873 -8.805 3.347 1.00 0.00 H new ATOM 0 HB THR A 968 -7.000 -8.358 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.965 -5.727 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.866 -6.801 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.324 -8.132 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.973 -6.518 2.310 1.00 0.00 H new ATOM 892 N VAL A 969 -4.596 -8.630 3.180 1.00 0.00 N ATOM 893 CA VAL A 969 -3.374 -9.417 3.304 1.00 0.00 C ATOM 894 C VAL A 969 -3.364 -10.192 4.632 1.00 0.00 C ATOM 895 O VAL A 969 -3.019 -11.370 4.667 1.00 0.00 O ATOM 896 CB VAL A 969 -2.105 -8.537 3.198 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.846 -9.375 3.355 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.078 -7.794 1.872 1.00 0.00 C ATOM 0 H VAL A 969 -4.451 -7.622 3.241 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.361 -10.123 2.474 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.135 -7.808 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.031 -8.732 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.853 -9.862 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.813 -10.132 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.178 -7.181 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.079 -8.512 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.958 -7.155 1.795 1.00 0.00 H new ATOM 908 N ASP A 970 -3.811 -9.559 5.703 1.00 0.00 N ATOM 909 CA ASP A 970 -3.807 -10.198 7.021 1.00 0.00 C ATOM 910 C ASP A 970 -4.814 -11.332 7.029 1.00 0.00 C ATOM 911 O ASP A 970 -4.576 -12.409 7.576 1.00 0.00 O ATOM 912 CB ASP A 970 -4.142 -9.187 8.123 1.00 0.00 C ATOM 913 CG ASP A 970 -4.257 -9.831 9.489 1.00 0.00 C ATOM 914 OD1 ASP A 970 -3.218 -10.025 10.147 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.391 -10.144 9.909 1.00 0.00 O ATOM 0 H ASP A 970 -4.181 -8.608 5.693 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.809 -10.590 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.370 -8.418 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -5.080 -8.688 7.880 1.00 0.00 H new ATOM 920 N GLU A 971 -5.935 -11.072 6.392 1.00 0.00 N ATOM 921 CA GLU A 971 -6.976 -12.056 6.222 1.00 0.00 C ATOM 922 C GLU A 971 -6.429 -13.228 5.413 1.00 0.00 C ATOM 923 O GLU A 971 -6.746 -14.387 5.672 1.00 0.00 O ATOM 924 CB GLU A 971 -8.145 -11.397 5.505 1.00 0.00 C ATOM 925 CG GLU A 971 -9.445 -12.175 5.563 1.00 0.00 C ATOM 926 CD GLU A 971 -10.067 -12.158 6.940 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.816 -11.206 7.245 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.810 -13.090 7.724 1.00 0.00 O ATOM 0 H GLU A 971 -6.149 -10.166 5.976 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.316 -12.435 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.309 -10.410 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.874 -11.246 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -10.149 -11.755 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.261 -13.207 5.263 1.00 0.00 H new ATOM 935 N SER A 972 -5.574 -12.901 4.450 1.00 0.00 N ATOM 936 CA SER A 972 -4.894 -13.896 3.634 1.00 0.00 C ATOM 937 C SER A 972 -3.932 -14.738 4.470 1.00 0.00 C ATOM 938 O SER A 972 -3.578 -15.853 4.082 1.00 0.00 O ATOM 939 CB SER A 972 -4.131 -13.207 2.500 1.00 0.00 C ATOM 940 OG SER A 972 -5.027 -12.598 1.587 1.00 0.00 O ATOM 0 H SER A 972 -5.334 -11.938 4.214 1.00 0.00 H new ATOM 0 HA SER A 972 -5.649 -14.561 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.459 -12.455 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.512 -13.936 1.977 1.00 0.00 H new ATOM 0 HG SER A 972 -5.287 -11.715 1.924 1.00 0.00 H new ATOM 946 N LEU A 973 -3.550 -14.222 5.641 1.00 0.00 N ATOM 947 CA LEU A 973 -2.540 -14.871 6.468 1.00 0.00 C ATOM 948 C LEU A 973 -3.059 -16.209 6.998 1.00 0.00 C ATOM 949 O LEU A 973 -2.392 -17.230 6.839 1.00 0.00 O ATOM 950 CB LEU A 973 -2.107 -13.959 7.626 1.00 0.00 C ATOM 951 CG LEU A 973 -1.015 -14.521 8.538 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.294 -14.662 7.781 1.00 0.00 C ATOM 953 CD2 LEU A 973 -0.831 -13.631 9.757 1.00 0.00 C ATOM 0 H LEU A 973 -3.926 -13.359 6.034 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.665 -15.063 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.757 -13.015 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.983 -13.734 8.234 1.00 0.00 H new ATOM 0 HG LEU A 973 -1.325 -15.510 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.058 -15.063 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.156 -15.339 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 973 0.609 -13.685 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.051 -14.045 10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -0.544 -12.630 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.766 -13.579 10.314 1.00 0.00 H new ATOM 965 N PRO A 974 -4.249 -16.254 7.639 1.00 0.00 N ATOM 966 CA PRO A 974 -4.857 -17.527 8.008 1.00 0.00 C ATOM 967 C PRO A 974 -5.682 -18.145 6.878 1.00 0.00 C ATOM 968 O PRO A 974 -6.289 -19.200 7.062 1.00 0.00 O ATOM 969 CB PRO A 974 -5.729 -17.170 9.203 1.00 0.00 C ATOM 970 CG PRO A 974 -6.146 -15.759 8.953 1.00 0.00 C ATOM 971 CD PRO A 974 -5.057 -15.119 8.123 1.00 0.00 C ATOM 0 HA PRO A 974 -4.107 -18.286 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.592 -17.832 9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.177 -17.261 10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -7.101 -15.726 8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -6.280 -15.224 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.474 -14.546 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.458 -14.430 8.718 1.00 0.00 H new ATOM 979 N VAL A 975 -5.707 -17.507 5.713 1.00 0.00 N ATOM 980 CA VAL A 975 -6.221 -18.174 4.521 1.00 0.00 C ATOM 981 C VAL A 975 -5.226 -19.245 4.083 1.00 0.00 C ATOM 982 O VAL A 975 -5.584 -20.408 3.894 1.00 0.00 O ATOM 983 CB VAL A 975 -6.490 -17.192 3.353 1.00 0.00 C ATOM 984 CG1 VAL A 975 -6.671 -17.939 2.038 1.00 0.00 C ATOM 985 CG2 VAL A 975 -7.724 -16.351 3.636 1.00 0.00 C ATOM 0 H VAL A 975 -5.385 -16.550 5.568 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.180 -18.623 4.780 1.00 0.00 H new ATOM 0 HB VAL A 975 -5.623 -16.538 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -6.858 -17.224 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -5.768 -18.506 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -7.517 -18.621 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -7.897 -15.667 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -8.589 -17.003 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -7.572 -15.778 4.551 1.00 0.00 H new ATOM 1049 N THR A 980 3.306 -19.247 2.550 1.00 0.00 N ATOM 1050 CA THR A 980 2.714 -18.022 2.025 1.00 0.00 C ATOM 1051 C THR A 980 2.527 -17.049 3.182 1.00 0.00 C ATOM 1052 O THR A 980 2.556 -15.833 3.019 1.00 0.00 O ATOM 1053 CB THR A 980 1.351 -18.309 1.358 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.512 -19.291 0.329 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.743 -17.045 0.762 1.00 0.00 C ATOM 0 HA THR A 980 3.373 -17.596 1.269 1.00 0.00 H new ATOM 0 HB THR A 980 0.675 -18.682 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.259 -19.883 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.215 -17.285 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.592 -16.307 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.417 -16.638 0.008 1.00 0.00 H new ATOM 1063 N HIS A 981 2.404 -17.639 4.361 1.00 0.00 N ATOM 1064 CA HIS A 981 2.280 -16.924 5.615 1.00 0.00 C ATOM 1065 C HIS A 981 3.444 -15.946 5.815 1.00 0.00 C ATOM 1066 O HIS A 981 3.251 -14.858 6.350 1.00 0.00 O ATOM 1067 CB HIS A 981 2.183 -17.968 6.750 1.00 0.00 C ATOM 1068 CG HIS A 981 2.627 -17.508 8.105 1.00 0.00 C ATOM 1069 ND1 HIS A 981 1.787 -17.376 9.187 1.00 0.00 N ATOM 1070 CD2 HIS A 981 3.858 -17.199 8.547 1.00 0.00 C ATOM 1071 CE1 HIS A 981 2.488 -17.003 10.241 1.00 0.00 C ATOM 1072 NE2 HIS A 981 3.751 -16.889 9.879 1.00 0.00 N ATOM 0 H HIS A 981 2.388 -18.653 4.471 1.00 0.00 H new ATOM 0 HA HIS A 981 1.378 -16.311 5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.148 -18.301 6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 981 2.779 -18.837 6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 981 4.765 -17.195 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 981 2.095 -16.822 11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 981 4.521 -16.615 10.489 1.00 0.00 H new ATOM 1081 N ARG A 982 4.644 -16.316 5.375 1.00 0.00 N ATOM 1082 CA ARG A 982 5.804 -15.446 5.568 1.00 0.00 C ATOM 1083 C ARG A 982 5.877 -14.381 4.484 1.00 0.00 C ATOM 1084 O ARG A 982 6.521 -13.356 4.681 1.00 0.00 O ATOM 1085 CB ARG A 982 7.132 -16.199 5.673 1.00 0.00 C ATOM 1086 CG ARG A 982 7.552 -16.859 4.366 1.00 0.00 C ATOM 1087 CD ARG A 982 9.061 -16.970 4.237 1.00 0.00 C ATOM 1088 NE ARG A 982 9.658 -17.708 5.344 1.00 0.00 N ATOM 1089 CZ ARG A 982 10.513 -18.713 5.196 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.828 -19.163 3.985 1.00 0.00 N ATOM 1091 NH2 ARG A 982 11.038 -19.281 6.272 1.00 0.00 N ATOM 0 H ARG A 982 4.839 -17.193 4.892 1.00 0.00 H new ATOM 0 HA ARG A 982 5.651 -14.964 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.911 -15.506 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.050 -16.961 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 982 7.110 -17.853 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.159 -16.283 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.308 -17.465 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.494 -15.971 4.194 1.00 0.00 H new ATOM 0 HE ARG A 982 9.402 -17.435 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.412 -18.735 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 982 11.486 -19.936 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.784 -18.945 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.696 -20.054 6.171 1.00 0.00 H new ATOM 1105 N GLU A 983 5.219 -14.578 3.359 1.00 0.00 N ATOM 1106 CA GLU A 983 5.113 -13.502 2.390 1.00 0.00 C ATOM 1107 C GLU A 983 4.072 -12.512 2.861 1.00 0.00 C ATOM 1108 O GLU A 983 4.208 -11.306 2.682 1.00 0.00 O ATOM 1109 CB GLU A 983 4.767 -14.034 1.000 1.00 0.00 C ATOM 1110 CG GLU A 983 5.983 -14.161 0.106 1.00 0.00 C ATOM 1111 CD GLU A 983 7.106 -14.925 0.775 1.00 0.00 C ATOM 1112 OE1 GLU A 983 6.840 -16.014 1.315 1.00 0.00 O ATOM 1113 OE2 GLU A 983 8.261 -14.455 0.735 1.00 0.00 O ATOM 0 H GLU A 983 4.760 -15.450 3.096 1.00 0.00 H new ATOM 0 HA GLU A 983 6.079 -13.004 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.288 -15.008 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.043 -13.368 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.702 -14.666 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.335 -13.167 -0.169 1.00 0.00 H new ATOM 1120 N ILE A 984 3.061 -13.040 3.520 1.00 0.00 N ATOM 1121 CA ILE A 984 1.978 -12.244 4.058 1.00 0.00 C ATOM 1122 C ILE A 984 2.466 -11.449 5.254 1.00 0.00 C ATOM 1123 O ILE A 984 2.067 -10.301 5.439 1.00 0.00 O ATOM 1124 CB ILE A 984 0.794 -13.133 4.474 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.231 -13.865 3.259 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.281 -12.308 5.152 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.621 -15.059 3.611 1.00 0.00 C ATOM 0 H ILE A 984 2.967 -14.040 3.698 1.00 0.00 H new ATOM 0 HA ILE A 984 1.638 -11.561 3.280 1.00 0.00 H new ATOM 0 HB ILE A 984 1.150 -13.875 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.363 -13.167 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.057 -14.193 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -1.110 -12.955 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.132 -11.832 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.640 -11.542 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.986 -15.528 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.026 -15.777 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.468 -14.736 4.216 1.00 0.00 H new ATOM 1139 N GLU A 985 3.369 -12.024 6.025 1.00 0.00 N ATOM 1140 CA GLU A 985 3.875 -11.335 7.199 1.00 0.00 C ATOM 1141 C GLU A 985 4.752 -10.165 6.766 1.00 0.00 C ATOM 1142 O GLU A 985 4.633 -9.043 7.270 1.00 0.00 O ATOM 1143 CB GLU A 985 4.665 -12.291 8.113 1.00 0.00 C ATOM 1144 CG GLU A 985 6.046 -12.677 7.622 1.00 0.00 C ATOM 1145 CD GLU A 985 6.762 -13.590 8.594 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.430 -14.791 8.648 1.00 0.00 O ATOM 1147 OE2 GLU A 985 7.656 -13.105 9.317 1.00 0.00 O ATOM 0 H GLU A 985 3.763 -12.951 5.865 1.00 0.00 H new ATOM 0 HA GLU A 985 3.027 -10.959 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 985 4.765 -11.827 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 985 4.080 -13.201 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 985 5.961 -13.173 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 985 6.640 -11.776 7.467 1.00 0.00 H new ATOM 1154 N MET A 986 5.618 -10.446 5.790 1.00 0.00 N ATOM 1155 CA MET A 986 6.629 -9.501 5.357 1.00 0.00 C ATOM 1156 C MET A 986 6.027 -8.366 4.546 1.00 0.00 C ATOM 1157 O MET A 986 6.380 -7.203 4.722 1.00 0.00 O ATOM 1158 CB MET A 986 7.705 -10.224 4.542 1.00 0.00 C ATOM 1159 CG MET A 986 8.587 -11.125 5.393 1.00 0.00 C ATOM 1160 SD MET A 986 9.832 -12.012 4.438 1.00 0.00 S ATOM 1161 CE MET A 986 10.621 -12.957 5.741 1.00 0.00 C ATOM 0 H MET A 986 5.632 -11.332 5.285 1.00 0.00 H new ATOM 0 HA MET A 986 7.082 -9.064 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.226 -10.821 3.766 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.328 -9.486 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 986 9.084 -10.522 6.153 1.00 0.00 H new ATOM 0 HG3 MET A 986 7.960 -11.846 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.420 -13.565 5.317 1.00 0.00 H new ATOM 0 HE2 MET A 986 11.037 -12.276 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 986 9.885 -13.606 6.216 1.00 0.00 H new ATOM 1171 N ALA A 987 5.113 -8.719 3.651 1.00 0.00 N ATOM 1172 CA ALA A 987 4.548 -7.761 2.714 1.00 0.00 C ATOM 1173 C ALA A 987 3.675 -6.729 3.417 1.00 0.00 C ATOM 1174 O ALA A 987 3.855 -5.527 3.220 1.00 0.00 O ATOM 1175 CB ALA A 987 3.755 -8.483 1.642 1.00 0.00 C ATOM 0 H ALA A 987 4.747 -9.666 3.556 1.00 0.00 H new ATOM 0 HA ALA A 987 5.375 -7.226 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.337 -7.755 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.411 -9.166 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.946 -9.048 2.106 1.00 0.00 H new ATOM 1181 N GLN A 988 2.728 -7.190 4.234 1.00 0.00 N ATOM 1182 CA GLN A 988 1.880 -6.264 4.985 1.00 0.00 C ATOM 1183 C GLN A 988 2.722 -5.404 5.933 1.00 0.00 C ATOM 1184 O GLN A 988 2.332 -4.294 6.290 1.00 0.00 O ATOM 1185 CB GLN A 988 0.761 -7.004 5.736 1.00 0.00 C ATOM 1186 CG GLN A 988 1.210 -7.820 6.941 1.00 0.00 C ATOM 1187 CD GLN A 988 0.093 -8.700 7.488 1.00 0.00 C ATOM 1188 OE1 GLN A 988 0.342 -9.753 8.072 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -1.149 -8.271 7.297 1.00 0.00 N ATOM 0 H GLN A 988 2.531 -8.178 4.391 1.00 0.00 H new ATOM 0 HA GLN A 988 1.397 -5.598 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.025 -6.272 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.256 -7.669 5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.058 -8.445 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.557 -7.147 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.315 -7.392 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -1.937 -8.821 7.640 1.00 0.00 H new ATOM 1198 N LYS A 989 3.891 -5.913 6.310 1.00 0.00 N ATOM 1199 CA LYS A 989 4.848 -5.149 7.101 1.00 0.00 C ATOM 1200 C LYS A 989 5.578 -4.118 6.240 1.00 0.00 C ATOM 1201 O LYS A 989 5.885 -3.016 6.694 1.00 0.00 O ATOM 1202 CB LYS A 989 5.843 -6.109 7.756 1.00 0.00 C ATOM 1203 CG LYS A 989 7.300 -5.946 7.343 1.00 0.00 C ATOM 1204 CD LYS A 989 8.141 -7.107 7.856 1.00 0.00 C ATOM 1205 CE LYS A 989 9.557 -7.083 7.301 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.394 -6.035 7.942 1.00 0.00 N ATOM 0 H LYS A 989 4.199 -6.857 6.078 1.00 0.00 H new ATOM 0 HA LYS A 989 4.309 -4.604 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.777 -5.987 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 989 5.534 -7.130 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.371 -5.892 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.691 -5.007 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.179 -7.072 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 989 7.662 -8.048 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.021 -8.058 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 989 9.521 -6.909 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.350 -6.056 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 9.967 -5.101 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 10.451 -6.214 8.965 1.00 0.00 H new ATOM 1220 N LEU A 990 5.903 -4.518 5.010 1.00 0.00 N ATOM 1221 CA LEU A 990 6.574 -3.639 4.064 1.00 0.00 C ATOM 1222 C LEU A 990 5.833 -2.313 3.885 1.00 0.00 C ATOM 1223 O LEU A 990 6.387 -1.246 4.162 1.00 0.00 O ATOM 1224 CB LEU A 990 6.710 -4.340 2.722 1.00 0.00 C ATOM 1225 CG LEU A 990 6.984 -3.407 1.560 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.423 -2.910 1.585 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.662 -4.101 0.247 1.00 0.00 C ATOM 0 H LEU A 990 5.709 -5.452 4.648 1.00 0.00 H new ATOM 0 HA LEU A 990 7.561 -3.411 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.517 -5.070 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.794 -4.895 2.520 1.00 0.00 H new ATOM 0 HG LEU A 990 6.338 -2.534 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 990 8.592 -2.242 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.606 -2.372 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.103 -3.760 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 990 6.862 -3.422 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.282 -4.992 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.610 -4.388 0.235 1.00 0.00 H new ATOM 1239 N LEU A 991 4.580 -2.387 3.439 1.00 0.00 N ATOM 1240 CA LEU A 991 3.753 -1.193 3.275 1.00 0.00 C ATOM 1241 C LEU A 991 3.642 -0.465 4.594 1.00 0.00 C ATOM 1242 O LEU A 991 3.681 0.757 4.656 1.00 0.00 O ATOM 1243 CB LEU A 991 2.347 -1.569 2.841 1.00 0.00 C ATOM 1244 CG LEU A 991 1.440 -0.387 2.509 1.00 0.00 C ATOM 1245 CD1 LEU A 991 1.645 0.065 1.074 1.00 0.00 C ATOM 1246 CD2 LEU A 991 -0.010 -0.744 2.773 1.00 0.00 C ATOM 0 H LEU A 991 4.116 -3.259 3.185 1.00 0.00 H new ATOM 0 HA LEU A 991 4.222 -0.563 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.413 -2.215 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 991 1.882 -2.154 3.634 1.00 0.00 H new ATOM 0 HG LEU A 991 1.706 0.448 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.988 0.908 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 991 2.682 0.368 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 991 1.412 -0.757 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 991 -0.644 0.109 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 991 -0.294 -1.594 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 991 -0.135 -1.003 3.824 1.00 0.00 H new ATOM 1258 N ASN A 992 3.533 -1.265 5.639 1.00 0.00 N ATOM 1259 CA ASN A 992 3.338 -0.797 7.000 1.00 0.00 C ATOM 1260 C ASN A 992 4.342 0.300 7.367 1.00 0.00 C ATOM 1261 O ASN A 992 3.955 1.374 7.832 1.00 0.00 O ATOM 1262 CB ASN A 992 3.477 -2.003 7.925 1.00 0.00 C ATOM 1263 CG ASN A 992 3.217 -1.711 9.395 1.00 0.00 C ATOM 1264 OD1 ASN A 992 3.509 -0.630 9.905 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.649 -2.686 10.089 1.00 0.00 N ATOM 0 H ASN A 992 3.579 -2.281 5.564 1.00 0.00 H new ATOM 0 HA ASN A 992 2.348 -0.352 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 992 2.786 -2.778 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.483 -2.409 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.440 -2.553 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.420 -3.570 9.634 1.00 0.00 H new ATOM 1272 N SER A 993 5.619 0.052 7.146 1.00 0.00 N ATOM 1273 CA SER A 993 6.623 1.057 7.457 1.00 0.00 C ATOM 1274 C SER A 993 6.688 2.152 6.388 1.00 0.00 C ATOM 1275 O SER A 993 6.992 3.294 6.713 1.00 0.00 O ATOM 1276 CB SER A 993 7.999 0.420 7.664 1.00 0.00 C ATOM 1277 OG SER A 993 8.955 1.381 8.083 1.00 0.00 O ATOM 0 H SER A 993 5.983 -0.819 6.760 1.00 0.00 H new ATOM 0 HA SER A 993 6.321 1.529 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 993 7.927 -0.373 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.330 -0.045 6.735 1.00 0.00 H new ATOM 0 HG SER A 993 9.824 0.945 8.209 1.00 0.00 H new ATOM 1283 N ASP A 994 6.410 1.832 5.129 1.00 0.00 N ATOM 1284 CA ASP A 994 6.471 2.874 4.096 1.00 0.00 C ATOM 1285 C ASP A 994 5.315 3.871 4.226 1.00 0.00 C ATOM 1286 O ASP A 994 5.469 5.055 3.954 1.00 0.00 O ATOM 1287 CB ASP A 994 6.545 2.294 2.685 1.00 0.00 C ATOM 1288 CG ASP A 994 7.862 2.651 2.015 1.00 0.00 C ATOM 1289 OD1 ASP A 994 7.938 3.706 1.351 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.839 1.890 2.177 1.00 0.00 O ATOM 0 H ASP A 994 6.150 0.902 4.802 1.00 0.00 H new ATOM 0 HA ASP A 994 7.400 3.419 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.437 1.210 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.715 2.673 2.089 1.00 0.00 H new ATOM 1295 N LEU A 995 4.154 3.383 4.641 1.00 0.00 N ATOM 1296 CA LEU A 995 3.021 4.242 4.990 1.00 0.00 C ATOM 1297 C LEU A 995 3.300 4.964 6.300 1.00 0.00 C ATOM 1298 O LEU A 995 2.662 5.971 6.600 1.00 0.00 O ATOM 1299 CB LEU A 995 1.713 3.447 5.069 1.00 0.00 C ATOM 1300 CG LEU A 995 1.592 2.498 6.266 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.871 3.172 7.424 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.884 1.218 5.863 1.00 0.00 C ATOM 0 H LEU A 995 3.967 2.386 4.746 1.00 0.00 H new ATOM 0 HA LEU A 995 2.899 4.982 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 995 0.881 4.151 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.605 2.865 4.153 1.00 0.00 H new ATOM 0 HG LEU A 995 2.598 2.243 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.798 2.477 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.428 4.056 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.130 3.466 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 995 0.808 0.557 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -0.115 1.455 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.450 0.722 5.075 1.00 0.00 H new ATOM 1314 N ALA A 996 4.265 4.488 7.060 1.00 0.00 N ATOM 1315 CA ALA A 996 4.767 5.278 8.185 1.00 0.00 C ATOM 1316 C ALA A 996 5.723 6.364 7.675 1.00 0.00 C ATOM 1317 O ALA A 996 5.821 7.445 8.263 1.00 0.00 O ATOM 1318 CB ALA A 996 5.414 4.402 9.248 1.00 0.00 C ATOM 0 H ALA A 996 4.714 3.581 6.931 1.00 0.00 H new ATOM 0 HA ALA A 996 3.921 5.767 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.773 5.027 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.681 3.692 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.252 3.859 8.811 1.00 0.00 H new ATOM 1324 N GLU A 997 6.361 6.110 6.540 1.00 0.00 N ATOM 1325 CA GLU A 997 7.180 7.118 5.873 1.00 0.00 C ATOM 1326 C GLU A 997 6.275 8.165 5.259 1.00 0.00 C ATOM 1327 O GLU A 997 6.501 9.365 5.401 1.00 0.00 O ATOM 1328 CB GLU A 997 8.005 6.491 4.752 1.00 0.00 C ATOM 1329 CG GLU A 997 8.848 5.317 5.184 1.00 0.00 C ATOM 1330 CD GLU A 997 10.192 5.730 5.739 1.00 0.00 C ATOM 1331 OE1 GLU A 997 10.234 6.519 6.706 1.00 0.00 O ATOM 1332 OE2 GLU A 997 11.219 5.275 5.195 1.00 0.00 O ATOM 0 H GLU A 997 6.328 5.211 6.059 1.00 0.00 H new ATOM 0 HA GLU A 997 7.848 7.561 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.332 6.167 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.656 7.254 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.308 4.747 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.000 4.653 4.333 1.00 0.00 H new ATOM 1339 N LEU A 998 5.232 7.688 4.599 1.00 0.00 N ATOM 1340 CA LEU A 998 4.314 8.548 3.882 1.00 0.00 C ATOM 1341 C LEU A 998 3.714 9.617 4.784 1.00 0.00 C ATOM 1342 O LEU A 998 3.724 10.796 4.445 1.00 0.00 O ATOM 1343 CB LEU A 998 3.189 7.714 3.288 1.00 0.00 C ATOM 1344 CG LEU A 998 1.816 8.403 3.286 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.553 9.078 1.954 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.706 7.424 3.634 1.00 0.00 C ATOM 0 H LEU A 998 5.001 6.696 4.547 1.00 0.00 H new ATOM 0 HA LEU A 998 4.879 9.045 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.451 7.452 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.112 6.781 3.846 1.00 0.00 H new ATOM 0 HG LEU A 998 1.828 9.173 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.575 9.559 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.322 9.828 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.573 8.333 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.253 7.942 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.690 6.617 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.884 7.010 4.626 1.00 0.00 H new ATOM 1358 N ILE A 999 3.232 9.199 5.950 1.00 0.00 N ATOM 1359 CA ILE A 999 2.538 10.102 6.869 1.00 0.00 C ATOM 1360 C ILE A 999 3.485 11.155 7.429 1.00 0.00 C ATOM 1361 O ILE A 999 3.116 12.317 7.538 1.00 0.00 O ATOM 1362 CB ILE A 999 1.880 9.321 8.030 1.00 0.00 C ATOM 1363 CG1 ILE A 999 0.833 8.343 7.485 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.243 10.279 9.030 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.256 7.429 8.543 1.00 0.00 C ATOM 0 H ILE A 999 3.308 8.238 6.284 1.00 0.00 H new ATOM 0 HA ILE A 999 1.757 10.604 6.298 1.00 0.00 H new ATOM 0 HB ILE A 999 2.654 8.753 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.024 8.909 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.286 7.737 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.786 9.709 9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.008 10.940 9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.480 10.874 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.478 6.764 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.056 6.837 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.226 8.027 9.316 1.00 0.00 H new ATOM 1377 N ASN A1000 4.707 10.752 7.762 1.00 0.00 N ATOM 1378 CA ASN A1000 5.694 11.686 8.309 1.00 0.00 C ATOM 1379 C ASN A1000 6.033 12.800 7.313 1.00 0.00 C ATOM 1380 O ASN A1000 6.155 13.968 7.677 1.00 0.00 O ATOM 1381 CB ASN A1000 6.971 10.940 8.705 1.00 0.00 C ATOM 1382 CG ASN A1000 6.904 10.401 10.124 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.251 11.096 11.081 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.466 9.161 10.274 1.00 0.00 N ATOM 0 H ASN A1000 5.039 9.793 7.665 1.00 0.00 H new ATOM 0 HA ASN A1000 5.253 12.146 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.137 10.115 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.825 11.611 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.407 8.750 11.206 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.188 8.616 9.458 1.00 0.00 H new ATOM 1391 N LYS A1001 6.146 12.419 6.049 1.00 0.00 N ATOM 1392 CA LYS A1001 6.552 13.332 4.981 1.00 0.00 C ATOM 1393 C LYS A1001 5.358 14.174 4.559 1.00 0.00 C ATOM 1394 O LYS A1001 5.450 15.387 4.358 1.00 0.00 O ATOM 1395 CB LYS A1001 7.089 12.523 3.794 1.00 0.00 C ATOM 1396 CG LYS A1001 8.241 11.601 4.169 1.00 0.00 C ATOM 1397 CD LYS A1001 8.547 10.587 3.077 1.00 0.00 C ATOM 1398 CE LYS A1001 9.685 9.666 3.489 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.038 8.690 2.423 1.00 0.00 N ATOM 0 H LYS A1001 5.959 11.468 5.731 1.00 0.00 H new ATOM 0 HA LYS A1001 7.341 13.994 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.279 11.928 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.420 13.209 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A1001 9.131 12.198 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.997 11.075 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A1001 7.656 9.996 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.811 11.108 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.562 10.264 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.403 9.126 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.829 8.096 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.215 8.088 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.317 9.202 1.562 1.00 0.00 H new ATOM 1413 N MET A1002 4.224 13.507 4.488 1.00 0.00 N ATOM 1414 CA MET A1002 2.953 14.143 4.204 1.00 0.00 C ATOM 1415 C MET A1002 2.639 15.162 5.286 1.00 0.00 C ATOM 1416 O MET A1002 1.926 16.144 5.064 1.00 0.00 O ATOM 1417 CB MET A1002 1.858 13.077 4.154 1.00 0.00 C ATOM 1418 CG MET A1002 0.457 13.629 3.982 1.00 0.00 C ATOM 1419 SD MET A1002 -0.702 12.397 3.361 1.00 0.00 S ATOM 1420 CE MET A1002 -0.379 11.029 4.467 1.00 0.00 C ATOM 0 H MET A1002 4.158 12.499 4.627 1.00 0.00 H new ATOM 0 HA MET A1002 3.003 14.654 3.242 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.070 12.394 3.332 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.895 12.492 5.073 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.100 14.008 4.939 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.485 14.475 3.295 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.283 10.430 4.579 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.418 10.409 4.056 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.075 11.413 5.441 1.00 0.00 H new ATOM 1430 N LYS A1003 3.195 14.915 6.463 1.00 0.00 N ATOM 1431 CA LYS A1003 2.862 15.670 7.641 1.00 0.00 C ATOM 1432 C LYS A1003 3.480 17.061 7.607 1.00 0.00 C ATOM 1433 O LYS A1003 2.775 18.058 7.706 1.00 0.00 O ATOM 1434 CB LYS A1003 3.345 14.939 8.891 1.00 0.00 C ATOM 1435 CG LYS A1003 2.383 15.051 10.052 1.00 0.00 C ATOM 1436 CD LYS A1003 1.070 14.359 9.732 1.00 0.00 C ATOM 1437 CE LYS A1003 0.066 14.524 10.862 1.00 0.00 C ATOM 1438 NZ LYS A1003 -0.145 15.956 11.212 1.00 0.00 N ATOM 0 H LYS A1003 3.889 14.184 6.618 1.00 0.00 H new ATOM 0 HA LYS A1003 1.777 15.773 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.497 13.886 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.313 15.342 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.827 14.605 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.200 16.101 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.655 14.770 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.250 13.299 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.885 14.077 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A1003 0.416 13.983 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -1.148 16.114 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 0.437 16.201 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.128 16.554 10.406 1.00 0.00 H new ATOM 1452 N LEU A1004 4.794 17.142 7.432 1.00 0.00 N ATOM 1453 CA LEU A1004 5.451 18.445 7.376 1.00 0.00 C ATOM 1454 C LEU A1004 5.049 19.195 6.122 1.00 0.00 C ATOM 1455 O LEU A1004 5.256 20.402 6.018 1.00 0.00 O ATOM 1456 CB LEU A1004 6.976 18.352 7.473 1.00 0.00 C ATOM 1457 CG LEU A1004 7.527 18.037 8.869 1.00 0.00 C ATOM 1458 CD1 LEU A1004 7.308 16.578 9.235 1.00 0.00 C ATOM 1459 CD2 LEU A1004 9.002 18.392 8.952 1.00 0.00 C ATOM 0 H LEU A1004 5.416 16.340 7.328 1.00 0.00 H new ATOM 0 HA LEU A1004 5.112 18.998 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.321 17.583 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.403 19.297 7.137 1.00 0.00 H new ATOM 0 HG LEU A1004 6.980 18.646 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.710 16.388 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A1004 6.241 16.357 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.816 15.941 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A1004 9.376 18.162 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.558 17.814 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.132 19.456 8.752 1.00 0.00 H new ATOM 1471 N ALA A1005 4.441 18.490 5.185 1.00 0.00 N ATOM 1472 CA ALA A1005 3.951 19.148 3.998 1.00 0.00 C ATOM 1473 C ALA A1005 2.764 20.023 4.362 1.00 0.00 C ATOM 1474 O ALA A1005 2.659 21.129 3.875 1.00 0.00 O ATOM 1475 CB ALA A1005 3.611 18.165 2.893 1.00 0.00 C ATOM 0 H ALA A1005 4.279 17.484 5.224 1.00 0.00 H new ATOM 0 HA ALA A1005 4.746 19.778 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.247 18.709 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.503 17.600 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.839 17.479 3.241 1.00 0.00 H new ATOM 1481 N GLN A1006 1.870 19.531 5.205 1.00 0.00 N ATOM 1482 CA GLN A1006 0.807 20.373 5.751 1.00 0.00 C ATOM 1483 C GLN A1006 1.320 21.280 6.864 1.00 0.00 C ATOM 1484 O GLN A1006 0.876 22.430 6.954 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.421 19.558 6.174 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.176 18.383 7.127 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.043 18.751 8.603 1.00 0.00 C ATOM 1488 OE1 GLN A1006 0.617 18.041 9.363 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -0.672 19.830 9.035 1.00 0.00 N ATOM 0 H GLN A1006 1.855 18.563 5.526 1.00 0.00 H new ATOM 0 HA GLN A1006 0.472 21.026 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.132 20.236 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -0.899 19.171 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.997 17.674 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.733 17.868 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -1.212 20.401 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.618 20.092 10.019 1.00 0.00 H new ATOM 1498 N GLN A1007 2.276 20.803 7.659 1.00 0.00 N ATOM 1499 CA GLN A1007 2.904 21.639 8.687 1.00 0.00 C ATOM 1500 C GLN A1007 3.274 23.002 8.118 1.00 0.00 C ATOM 1501 O GLN A1007 2.962 24.043 8.694 1.00 0.00 O ATOM 1502 CB GLN A1007 4.154 20.968 9.249 1.00 0.00 C ATOM 1503 CG GLN A1007 3.864 19.879 10.266 1.00 0.00 C ATOM 1504 CD GLN A1007 3.216 20.427 11.521 1.00 0.00 C ATOM 1505 OE1 GLN A1007 1.994 20.437 11.653 1.00 0.00 O ATOM 1506 NE2 GLN A1007 4.032 20.928 12.430 1.00 0.00 N ATOM 0 H GLN A1007 2.633 19.848 7.614 1.00 0.00 H new ATOM 0 HA GLN A1007 2.181 21.770 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.726 20.540 8.426 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.784 21.727 9.713 1.00 0.00 H new ATOM 0 HG2 GLN A1007 3.210 19.131 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.793 19.374 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A1007 5.041 20.899 12.281 1.00 0.00 H new ATOM 0 HE22 GLN A1007 3.654 21.344 13.281 1.00 0.00 H new ATOM 1515 N TYR A1008 3.935 23.000 6.974 1.00 0.00 N ATOM 1516 CA TYR A1008 4.191 24.243 6.280 1.00 0.00 C ATOM 1517 C TYR A1008 3.715 24.159 4.843 1.00 0.00 C ATOM 1518 O TYR A1008 4.415 24.552 3.906 1.00 0.00 O ATOM 1519 CB TYR A1008 5.661 24.645 6.377 1.00 0.00 C ATOM 1520 CG TYR A1008 6.008 25.189 7.744 1.00 0.00 C ATOM 1521 CD1 TYR A1008 5.700 26.502 8.079 1.00 0.00 C ATOM 1522 CD2 TYR A1008 6.615 24.390 8.704 1.00 0.00 C ATOM 1523 CE1 TYR A1008 5.986 27.003 9.332 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.909 24.886 9.959 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.590 26.192 10.268 1.00 0.00 C ATOM 1526 OH TYR A1008 6.873 26.686 11.519 1.00 0.00 O ATOM 0 H TYR A1008 4.298 22.165 6.514 1.00 0.00 H new ATOM 0 HA TYR A1008 3.620 25.032 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.289 23.781 6.160 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.882 25.397 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A1008 5.229 27.141 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.861 23.366 8.466 1.00 0.00 H new ATOM 0 HE1 TYR A1008 5.738 28.025 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.386 24.255 10.694 1.00 0.00 H new ATOM 0 HH TYR A1008 7.297 25.986 12.059 1.00 0.00 H new ATOM 1536 N VAL A1009 2.493 23.638 4.694 1.00 0.00 N ATOM 1537 CA VAL A1009 1.760 23.653 3.429 1.00 0.00 C ATOM 1538 C VAL A1009 1.669 25.068 2.893 1.00 0.00 C ATOM 1539 O VAL A1009 1.400 25.304 1.715 1.00 0.00 O ATOM 1540 CB VAL A1009 0.343 23.076 3.636 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.490 23.998 4.514 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.337 22.809 2.306 1.00 0.00 C ATOM 0 H VAL A1009 1.983 23.191 5.456 1.00 0.00 H new ATOM 0 HA VAL A1009 2.294 23.037 2.705 1.00 0.00 H new ATOM 0 HB VAL A1009 0.436 22.120 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.485 23.573 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.009 24.107 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.574 24.975 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.333 22.403 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.418 23.740 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A1009 0.251 22.092 1.734 1.00 0.00 H new ATOM 1552 N MET A1010 1.894 25.995 3.800 1.00 0.00 N ATOM 1553 CA MET A1010 1.967 27.406 3.483 1.00 0.00 C ATOM 1554 C MET A1010 2.901 27.674 2.294 1.00 0.00 C ATOM 1555 O MET A1010 2.596 28.533 1.465 1.00 0.00 O ATOM 1556 CB MET A1010 2.429 28.181 4.717 1.00 0.00 C ATOM 1557 CG MET A1010 1.548 27.950 5.937 1.00 0.00 C ATOM 1558 SD MET A1010 2.168 28.761 7.425 1.00 0.00 S ATOM 1559 CE MET A1010 1.910 30.481 7.002 1.00 0.00 C ATOM 0 H MET A1010 2.033 25.788 4.789 1.00 0.00 H new ATOM 0 HA MET A1010 0.973 27.745 3.192 1.00 0.00 H new ATOM 0 HB2 MET A1010 3.453 27.893 4.957 1.00 0.00 H new ATOM 0 HB3 MET A1010 2.444 29.246 4.484 1.00 0.00 H new ATOM 0 HG2 MET A1010 0.542 28.313 5.725 1.00 0.00 H new ATOM 0 HG3 MET A1010 1.468 26.879 6.122 1.00 0.00 H new ATOM 0 HE1 MET A1010 2.059 31.100 7.887 1.00 0.00 H new ATOM 0 HE2 MET A1010 2.620 30.776 6.229 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.894 30.616 6.632 1.00 0.00 H new ATOM 1569 N THR A1011 4.030 26.950 2.188 1.00 0.00 N ATOM 1570 CA THR A1011 4.950 27.172 1.059 1.00 0.00 C ATOM 1571 C THR A1011 5.962 26.033 0.809 1.00 0.00 C ATOM 1572 O THR A1011 5.621 24.979 0.240 1.00 0.00 O ATOM 1573 CB THR A1011 5.740 28.492 1.222 1.00 0.00 C ATOM 1574 OG1 THR A1011 5.529 29.047 2.530 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.343 29.503 0.157 1.00 0.00 C ATOM 0 H THR A1011 4.321 26.228 2.848 1.00 0.00 H new ATOM 0 HA THR A1011 4.289 27.215 0.193 1.00 0.00 H new ATOM 0 HB THR A1011 6.799 28.264 1.101 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.037 29.881 2.617 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.914 30.421 0.296 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.552 29.092 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.278 29.722 0.242 1.00 0.00 H new ATOM 1583 N SER A1012 7.208 26.268 1.237 1.00 0.00 N ATOM 1584 CA SER A1012 8.361 25.468 0.816 1.00 0.00 C ATOM 1585 C SER A1012 8.203 23.988 1.134 1.00 0.00 C ATOM 1586 O SER A1012 8.234 23.150 0.221 1.00 0.00 O ATOM 1587 CB SER A1012 9.630 26.014 1.469 1.00 0.00 C ATOM 1588 OG SER A1012 9.774 27.400 1.206 1.00 0.00 O ATOM 0 H SER A1012 7.444 27.019 1.885 1.00 0.00 H new ATOM 0 HA SER A1012 8.432 25.549 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.592 25.845 2.545 1.00 0.00 H new ATOM 0 HB3 SER A1012 10.499 25.475 1.092 1.00 0.00 H new ATOM 0 HG SER A1012 10.591 27.731 1.634 1.00 0.00 H new ATOM 1594 N LEU A1013 8.057 23.661 2.419 1.00 0.00 N ATOM 1595 CA LEU A1013 7.836 22.291 2.839 1.00 0.00 C ATOM 1596 C LEU A1013 6.794 21.602 1.998 1.00 0.00 C ATOM 1597 O LEU A1013 6.989 20.468 1.582 1.00 0.00 O ATOM 1598 CB LEU A1013 7.364 22.271 4.287 1.00 0.00 C ATOM 1599 CG LEU A1013 8.411 21.805 5.306 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.671 22.654 5.217 1.00 0.00 C ATOM 1601 CD2 LEU A1013 7.854 21.839 6.720 1.00 0.00 C ATOM 0 H LEU A1013 8.089 24.335 3.184 1.00 0.00 H new ATOM 0 HA LEU A1013 8.782 21.763 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A1013 7.035 23.274 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.493 21.619 4.360 1.00 0.00 H new ATOM 0 HG LEU A1013 8.669 20.774 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A1013 10.398 22.304 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A1013 10.095 22.572 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A1013 9.423 23.696 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A1013 8.619 21.503 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.556 22.857 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A1013 6.988 21.181 6.786 1.00 0.00 H new ATOM 1613 N GLN A1014 5.716 22.310 1.719 1.00 0.00 N ATOM 1614 CA GLN A1014 4.550 21.699 1.129 1.00 0.00 C ATOM 1615 C GLN A1014 4.887 20.961 -0.162 1.00 0.00 C ATOM 1616 O GLN A1014 4.552 19.794 -0.323 1.00 0.00 O ATOM 1617 CB GLN A1014 3.490 22.761 0.880 1.00 0.00 C ATOM 1618 CG GLN A1014 2.372 22.304 -0.035 1.00 0.00 C ATOM 1619 CD GLN A1014 2.093 23.287 -1.150 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.954 23.438 -1.597 1.00 0.00 O ATOM 1621 NE2 GLN A1014 3.140 23.944 -1.624 1.00 0.00 N ATOM 0 H GLN A1014 5.628 23.311 1.894 1.00 0.00 H new ATOM 0 HA GLN A1014 4.164 20.957 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.063 23.067 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.965 23.641 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.632 21.337 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.465 22.158 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.065 23.787 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A1014 3.022 24.607 -2.390 1.00 0.00 H new ATOM 1630 N GLN A1015 5.592 21.639 -1.066 1.00 0.00 N ATOM 1631 CA GLN A1015 5.863 21.072 -2.380 1.00 0.00 C ATOM 1632 C GLN A1015 6.849 19.914 -2.294 1.00 0.00 C ATOM 1633 O GLN A1015 6.664 18.892 -2.945 1.00 0.00 O ATOM 1634 CB GLN A1015 6.381 22.138 -3.347 1.00 0.00 C ATOM 1635 CG GLN A1015 5.306 23.087 -3.846 1.00 0.00 C ATOM 1636 CD GLN A1015 4.245 22.387 -4.678 1.00 0.00 C ATOM 1637 OE1 GLN A1015 3.082 22.789 -4.687 1.00 0.00 O ATOM 1638 NE2 GLN A1015 4.640 21.343 -5.393 1.00 0.00 N ATOM 0 H GLN A1015 5.980 22.570 -0.913 1.00 0.00 H new ATOM 0 HA GLN A1015 4.919 20.687 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A1015 7.161 22.716 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A1015 6.843 21.645 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A1015 4.831 23.572 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A1015 5.769 23.873 -4.442 1.00 0.00 H new ATOM 0 HE21 GLN A1015 5.613 21.040 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A1015 3.970 20.842 -5.977 1.00 0.00 H new ATOM 1647 N GLU A1016 7.882 20.064 -1.478 1.00 0.00 N ATOM 1648 CA GLU A1016 8.866 19.001 -1.300 1.00 0.00 C ATOM 1649 C GLU A1016 8.258 17.819 -0.556 1.00 0.00 C ATOM 1650 O GLU A1016 8.274 16.692 -1.031 1.00 0.00 O ATOM 1651 CB GLU A1016 10.073 19.519 -0.521 1.00 0.00 C ATOM 1652 CG GLU A1016 11.068 18.426 -0.168 1.00 0.00 C ATOM 1653 CD GLU A1016 12.328 18.963 0.474 1.00 0.00 C ATOM 1654 OE1 GLU A1016 13.198 19.473 -0.263 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.455 18.875 1.712 1.00 0.00 O ATOM 0 H GLU A1016 8.062 20.906 -0.931 1.00 0.00 H new ATOM 0 HA GLU A1016 9.185 18.672 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.577 20.285 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.728 19.998 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.595 17.716 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.332 17.876 -1.071 1.00 0.00 H new ATOM 1662 N TYR A1017 7.714 18.107 0.599 1.00 0.00 N ATOM 1663 CA TYR A1017 7.151 17.113 1.482 1.00 0.00 C ATOM 1664 C TYR A1017 6.002 16.316 0.870 1.00 0.00 C ATOM 1665 O TYR A1017 5.875 15.127 1.102 1.00 0.00 O ATOM 1666 CB TYR A1017 6.684 17.841 2.724 1.00 0.00 C ATOM 1667 CG TYR A1017 7.813 17.862 3.732 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.036 16.771 4.563 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.700 18.927 3.806 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.100 16.742 5.439 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.763 18.910 4.692 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.958 17.813 5.502 1.00 0.00 C ATOM 1673 OH TYR A1017 11.026 17.777 6.369 1.00 0.00 O ATOM 0 H TYR A1017 7.648 19.058 0.961 1.00 0.00 H new ATOM 0 HA TYR A1017 7.920 16.372 1.702 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.383 18.858 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.810 17.344 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.362 15.928 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.558 19.782 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.258 15.882 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.436 19.753 4.748 1.00 0.00 H new ATOM 0 HH TYR A1017 11.537 18.610 6.293 1.00 0.00 H new ATOM 1683 N LYS A1018 5.151 17.013 0.095 1.00 0.00 N ATOM 1684 CA LYS A1018 3.974 16.412 -0.543 1.00 0.00 C ATOM 1685 C LYS A1018 4.372 15.685 -1.823 1.00 0.00 C ATOM 1686 O LYS A1018 3.741 14.702 -2.213 1.00 0.00 O ATOM 1687 CB LYS A1018 2.900 17.471 -0.859 1.00 0.00 C ATOM 1688 CG LYS A1018 1.571 16.900 -1.364 1.00 0.00 C ATOM 1689 CD LYS A1018 0.797 16.192 -0.257 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.496 15.549 -0.765 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.501 16.548 -1.239 1.00 0.00 N ATOM 0 H LYS A1018 5.263 18.007 -0.104 1.00 0.00 H new ATOM 0 HA LYS A1018 3.551 15.696 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.710 18.057 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.294 18.157 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.962 17.706 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.763 16.200 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.429 15.425 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.558 16.907 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.259 14.866 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.936 14.951 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.434 16.094 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.552 17.337 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.218 16.910 -2.172 1.00 0.00 H new ATOM 1705 N LYS A1019 5.416 16.169 -2.486 1.00 0.00 N ATOM 1706 CA LYS A1019 5.929 15.478 -3.658 1.00 0.00 C ATOM 1707 C LYS A1019 6.661 14.222 -3.199 1.00 0.00 C ATOM 1708 O LYS A1019 6.543 13.161 -3.794 1.00 0.00 O ATOM 1709 CB LYS A1019 6.785 16.422 -4.526 1.00 0.00 C ATOM 1710 CG LYS A1019 8.172 15.929 -4.876 1.00 0.00 C ATOM 1711 CD LYS A1019 9.155 16.334 -3.807 1.00 0.00 C ATOM 1712 CE LYS A1019 10.576 15.926 -4.172 1.00 0.00 C ATOM 1713 NZ LYS A1019 11.576 16.405 -3.183 1.00 0.00 N ATOM 0 H LYS A1019 5.915 17.023 -2.236 1.00 0.00 H new ATOM 0 HA LYS A1019 5.113 15.163 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.246 16.618 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A1019 6.881 17.375 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A1019 8.164 14.844 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A1019 8.480 16.340 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A1019 9.111 17.413 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A1019 8.875 15.873 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A1019 10.632 14.840 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A1019 10.824 16.324 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 12.518 16.045 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 11.592 17.445 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 11.320 16.061 -2.236 1.00 0.00 H new ATOM 1727 N GLN A1020 7.373 14.368 -2.097 1.00 0.00 N ATOM 1728 CA GLN A1020 7.893 13.258 -1.314 1.00 0.00 C ATOM 1729 C GLN A1020 6.745 12.427 -0.738 1.00 0.00 C ATOM 1730 O GLN A1020 6.864 11.211 -0.608 1.00 0.00 O ATOM 1731 CB GLN A1020 8.757 13.835 -0.191 1.00 0.00 C ATOM 1732 CG GLN A1020 9.443 12.805 0.682 1.00 0.00 C ATOM 1733 CD GLN A1020 10.455 13.430 1.626 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.441 12.799 2.006 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.231 14.685 1.993 1.00 0.00 N ATOM 0 H GLN A1020 7.612 15.281 -1.711 1.00 0.00 H new ATOM 0 HA GLN A1020 8.491 12.600 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.517 14.479 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.132 14.466 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.693 12.266 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.944 12.072 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.402 15.174 1.657 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.888 15.160 2.612 1.00 0.00 H new ATOM 1744 N MET A1021 5.631 13.072 -0.426 1.00 0.00 N ATOM 1745 CA MET A1021 4.462 12.365 0.079 1.00 0.00 C ATOM 1746 C MET A1021 3.928 11.428 -0.973 1.00 0.00 C ATOM 1747 O MET A1021 3.748 10.247 -0.710 1.00 0.00 O ATOM 1748 CB MET A1021 3.358 13.338 0.511 1.00 0.00 C ATOM 1749 CG MET A1021 2.034 12.678 0.861 1.00 0.00 C ATOM 1750 SD MET A1021 0.978 12.455 -0.587 1.00 0.00 S ATOM 1751 CE MET A1021 -0.401 11.562 0.112 1.00 0.00 C ATOM 0 H MET A1021 5.511 14.081 -0.513 1.00 0.00 H new ATOM 0 HA MET A1021 4.773 11.794 0.954 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.707 13.902 1.376 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.190 14.056 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.224 11.709 1.322 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.511 13.286 1.600 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.770 10.837 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.078 11.041 1.013 1.00 0.00 H new ATOM 0 HE3 MET A1021 -1.198 12.262 0.363 1.00 0.00 H new ATOM 1761 N LEU A1022 3.707 11.932 -2.180 1.00 0.00 N ATOM 1762 CA LEU A1022 3.094 11.103 -3.192 1.00 0.00 C ATOM 1763 C LEU A1022 4.148 10.211 -3.842 1.00 0.00 C ATOM 1764 O LEU A1022 3.826 9.353 -4.645 1.00 0.00 O ATOM 1765 CB LEU A1022 2.337 11.941 -4.236 1.00 0.00 C ATOM 1766 CG LEU A1022 2.942 11.942 -5.640 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.861 12.192 -6.675 1.00 0.00 C ATOM 1768 CD2 LEU A1022 4.033 12.996 -5.759 1.00 0.00 C ATOM 0 H LEU A1022 3.937 12.882 -2.471 1.00 0.00 H new ATOM 0 HA LEU A1022 2.352 10.466 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.313 11.572 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.283 12.970 -3.881 1.00 0.00 H new ATOM 0 HG LEU A1022 3.388 10.964 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.304 12.191 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.108 11.407 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.394 13.159 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.448 12.978 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.611 13.981 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.822 12.786 -5.037 1.00 0.00 H new ATOM 1780 N THR A1023 5.415 10.435 -3.493 1.00 0.00 N ATOM 1781 CA THR A1023 6.497 9.566 -3.939 1.00 0.00 C ATOM 1782 C THR A1023 6.663 8.400 -2.966 1.00 0.00 C ATOM 1783 O THR A1023 6.942 7.282 -3.376 1.00 0.00 O ATOM 1784 CB THR A1023 7.835 10.330 -4.086 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.716 11.326 -5.109 1.00 0.00 O ATOM 1786 CG2 THR A1023 8.978 9.387 -4.437 1.00 0.00 C ATOM 0 H THR A1023 5.714 11.211 -2.903 1.00 0.00 H new ATOM 0 HA THR A1023 6.229 9.186 -4.925 1.00 0.00 H new ATOM 0 HB THR A1023 8.057 10.801 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.059 11.999 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A1023 9.903 9.956 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.090 8.642 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A1023 8.760 8.887 -5.381 1.00 0.00 H new ATOM 1794 N ALA A1024 6.478 8.664 -1.676 1.00 0.00 N ATOM 1795 CA ALA A1024 6.457 7.601 -0.681 1.00 0.00 C ATOM 1796 C ALA A1024 5.104 6.919 -0.706 1.00 0.00 C ATOM 1797 O ALA A1024 4.951 5.791 -0.262 1.00 0.00 O ATOM 1798 CB ALA A1024 6.766 8.146 0.705 1.00 0.00 C ATOM 0 H ALA A1024 6.341 9.601 -1.298 1.00 0.00 H new ATOM 0 HA ALA A1024 7.229 6.871 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.744 7.332 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.755 8.604 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A1024 6.021 8.893 0.977 1.00 0.00 H new ATOM 1804 N ALA A1025 4.116 7.637 -1.202 1.00 0.00 N ATOM 1805 CA ALA A1025 2.819 7.064 -1.500 1.00 0.00 C ATOM 1806 C ALA A1025 2.821 6.461 -2.904 1.00 0.00 C ATOM 1807 O ALA A1025 1.996 5.608 -3.201 1.00 0.00 O ATOM 1808 CB ALA A1025 1.703 8.073 -1.304 1.00 0.00 C ATOM 0 H ALA A1025 4.190 8.633 -1.410 1.00 0.00 H new ATOM 0 HA ALA A1025 2.624 6.258 -0.793 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.746 7.607 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.698 8.414 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.862 8.925 -1.965 1.00 0.00 H new ATOM 1814 N HIS A1026 3.719 6.902 -3.780 1.00 0.00 N ATOM 1815 CA HIS A1026 3.977 6.152 -5.010 1.00 0.00 C ATOM 1816 C HIS A1026 4.830 4.943 -4.673 1.00 0.00 C ATOM 1817 O HIS A1026 4.795 3.949 -5.369 1.00 0.00 O ATOM 1818 CB HIS A1026 4.639 7.010 -6.097 1.00 0.00 C ATOM 1819 CG HIS A1026 4.808 6.307 -7.414 1.00 0.00 C ATOM 1820 ND1 HIS A1026 3.751 5.968 -8.233 1.00 0.00 N ATOM 1821 CD2 HIS A1026 5.922 5.880 -8.051 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.211 5.365 -9.311 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.526 5.299 -9.231 1.00 0.00 N ATOM 0 H HIS A1026 4.270 7.753 -3.669 1.00 0.00 H new ATOM 0 HA HIS A1026 3.021 5.831 -5.424 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.041 7.908 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.617 7.335 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A1026 6.937 5.978 -7.697 1.00 0.00 H new ATOM 0 HE1 HIS A1026 3.610 4.987 -10.125 1.00 0.00 H new ATOM 0 HE2 HIS A1026 6.145 4.886 -9.928 1.00 0.00 H new ATOM 1832 N ALA A1027 5.573 5.047 -3.588 1.00 0.00 N ATOM 1833 CA ALA A1027 6.179 3.906 -2.906 1.00 0.00 C ATOM 1834 C ALA A1027 5.106 3.066 -2.253 1.00 0.00 C ATOM 1835 O ALA A1027 5.171 1.847 -2.314 1.00 0.00 O ATOM 1836 CB ALA A1027 7.164 4.394 -1.859 1.00 0.00 C ATOM 0 H ALA A1027 5.780 5.941 -3.143 1.00 0.00 H new ATOM 0 HA ALA A1027 6.710 3.296 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.612 3.538 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.946 4.981 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.642 5.013 -1.129 1.00 0.00 H new ATOM 1842 N LEU A1028 4.119 3.686 -1.646 1.00 0.00 N ATOM 1843 CA LEU A1028 2.964 2.938 -1.196 1.00 0.00 C ATOM 1844 C LEU A1028 2.299 2.279 -2.389 1.00 0.00 C ATOM 1845 O LEU A1028 1.971 1.112 -2.337 1.00 0.00 O ATOM 1846 CB LEU A1028 1.977 3.825 -0.443 1.00 0.00 C ATOM 1847 CG LEU A1028 2.461 4.330 0.911 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.294 4.908 1.681 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.108 3.200 1.685 1.00 0.00 C ATOM 0 H LEU A1028 4.090 4.687 -1.454 1.00 0.00 H new ATOM 0 HA LEU A1028 3.297 2.170 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.735 4.685 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.052 3.268 -0.296 1.00 0.00 H new ATOM 0 HG LEU A1028 3.206 5.112 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.640 5.269 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.861 5.735 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.539 4.136 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.451 3.570 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.382 2.402 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.958 2.813 1.122 1.00 0.00 H new ATOM 1861 N ALA A1029 2.123 3.024 -3.467 1.00 0.00 N ATOM 1862 CA ALA A1029 1.626 2.459 -4.714 1.00 0.00 C ATOM 1863 C ALA A1029 2.522 1.325 -5.204 1.00 0.00 C ATOM 1864 O ALA A1029 2.030 0.285 -5.632 1.00 0.00 O ATOM 1865 CB ALA A1029 1.514 3.539 -5.781 1.00 0.00 C ATOM 0 H ALA A1029 2.317 4.025 -3.506 1.00 0.00 H new ATOM 0 HA ALA A1029 0.635 2.048 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.141 3.099 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.825 4.313 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.496 3.979 -5.958 1.00 0.00 H new ATOM 1871 N VAL A1030 3.838 1.525 -5.122 1.00 0.00 N ATOM 1872 CA VAL A1030 4.788 0.534 -5.603 1.00 0.00 C ATOM 1873 C VAL A1030 4.736 -0.720 -4.744 1.00 0.00 C ATOM 1874 O VAL A1030 4.587 -1.833 -5.238 1.00 0.00 O ATOM 1875 CB VAL A1030 6.238 1.092 -5.586 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.265 -0.033 -5.628 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.465 2.027 -6.762 1.00 0.00 C ATOM 0 H VAL A1030 4.265 2.363 -4.727 1.00 0.00 H new ATOM 0 HA VAL A1030 4.510 0.290 -6.628 1.00 0.00 H new ATOM 0 HB VAL A1030 6.364 1.644 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.269 0.390 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.132 -0.679 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.129 -0.616 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.486 2.407 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.307 1.484 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.765 2.861 -6.704 1.00 0.00 H new ATOM 1887 N ASP A1031 4.860 -0.506 -3.442 1.00 0.00 N ATOM 1888 CA ASP A1031 4.950 -1.591 -2.487 1.00 0.00 C ATOM 1889 C ASP A1031 3.596 -2.225 -2.208 1.00 0.00 C ATOM 1890 O ASP A1031 3.528 -3.390 -1.866 1.00 0.00 O ATOM 1891 CB ASP A1031 5.635 -1.133 -1.201 1.00 0.00 C ATOM 1892 CG ASP A1031 7.124 -0.909 -1.414 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.833 -1.882 -1.753 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.588 0.239 -1.275 1.00 0.00 O ATOM 0 H ASP A1031 4.901 0.423 -3.023 1.00 0.00 H new ATOM 0 HA ASP A1031 5.569 -2.367 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.173 -0.210 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.486 -1.880 -0.422 1.00 0.00 H new ATOM 1899 N ALA A1032 2.519 -1.458 -2.315 1.00 0.00 N ATOM 1900 CA ALA A1032 1.176 -2.035 -2.258 1.00 0.00 C ATOM 1901 C ALA A1032 0.897 -2.812 -3.536 1.00 0.00 C ATOM 1902 O ALA A1032 0.169 -3.802 -3.513 1.00 0.00 O ATOM 1903 CB ALA A1032 0.097 -0.997 -2.012 1.00 0.00 C ATOM 0 H ALA A1032 2.544 -0.446 -2.440 1.00 0.00 H new ATOM 0 HA ALA A1032 1.148 -2.712 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.877 -1.485 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.283 -0.497 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.108 -0.262 -2.817 1.00 0.00 H new ATOM 1909 N LYS A1033 1.494 -2.396 -4.639 1.00 0.00 N ATOM 1910 CA LYS A1033 1.486 -3.219 -5.836 1.00 0.00 C ATOM 1911 C LYS A1033 2.285 -4.490 -5.575 1.00 0.00 C ATOM 1912 O LYS A1033 1.830 -5.604 -5.824 1.00 0.00 O ATOM 1913 CB LYS A1033 2.112 -2.478 -7.019 1.00 0.00 C ATOM 1914 CG LYS A1033 2.024 -3.269 -8.314 1.00 0.00 C ATOM 1915 CD LYS A1033 2.687 -2.554 -9.477 1.00 0.00 C ATOM 1916 CE LYS A1033 2.584 -3.380 -10.746 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.285 -2.746 -11.890 1.00 0.00 N ATOM 0 H LYS A1033 1.984 -1.506 -4.731 1.00 0.00 H new ATOM 0 HA LYS A1033 0.451 -3.458 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.611 -1.518 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.158 -2.265 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.494 -4.242 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A1033 0.977 -3.452 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.215 -1.583 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.735 -2.366 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A1033 3.005 -4.369 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A1033 1.534 -3.522 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.187 -3.347 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 2.867 -1.813 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 4.293 -2.634 -11.660 1.00 0.00 H new ATOM 1931 N ASN A1034 3.485 -4.284 -5.039 1.00 0.00 N ATOM 1932 CA ASN A1034 4.452 -5.348 -4.810 1.00 0.00 C ATOM 1933 C ASN A1034 4.018 -6.314 -3.718 1.00 0.00 C ATOM 1934 O ASN A1034 4.158 -7.509 -3.884 1.00 0.00 O ATOM 1935 CB ASN A1034 5.816 -4.746 -4.457 1.00 0.00 C ATOM 1936 CG ASN A1034 6.843 -5.794 -4.067 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.464 -6.424 -4.925 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.056 -5.961 -2.769 1.00 0.00 N ATOM 0 H ASN A1034 3.815 -3.363 -4.749 1.00 0.00 H new ATOM 0 HA ASN A1034 4.521 -5.920 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.189 -4.179 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.694 -4.041 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A1034 7.755 -6.631 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A1034 6.520 -5.420 -2.090 1.00 0.00 H new ATOM 1945 N LEU A1035 3.512 -5.806 -2.600 1.00 0.00 N ATOM 1946 CA LEU A1035 3.141 -6.668 -1.485 1.00 0.00 C ATOM 1947 C LEU A1035 1.994 -7.589 -1.893 1.00 0.00 C ATOM 1948 O LEU A1035 1.974 -8.750 -1.484 1.00 0.00 O ATOM 1949 CB LEU A1035 2.804 -5.866 -0.207 1.00 0.00 C ATOM 1950 CG LEU A1035 1.317 -5.798 0.195 1.00 0.00 C ATOM 1951 CD1 LEU A1035 1.169 -5.340 1.636 1.00 0.00 C ATOM 1952 CD2 LEU A1035 0.548 -4.853 -0.706 1.00 0.00 C ATOM 0 H LEU A1035 3.351 -4.811 -2.442 1.00 0.00 H new ATOM 0 HA LEU A1035 4.007 -7.282 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.362 -6.299 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.168 -4.847 -0.339 1.00 0.00 H new ATOM 0 HG LEU A1035 0.907 -6.802 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A1035 0.112 -5.299 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.679 -6.042 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.609 -4.349 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -0.497 -4.826 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A1035 0.974 -3.852 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.613 -5.200 -1.737 1.00 0.00 H new ATOM 1964 N LEU A1036 1.038 -7.103 -2.690 1.00 0.00 N ATOM 1965 CA LEU A1036 -0.022 -8.014 -3.090 1.00 0.00 C ATOM 1966 C LEU A1036 0.542 -9.019 -4.094 1.00 0.00 C ATOM 1967 O LEU A1036 0.260 -10.209 -4.032 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.261 -7.272 -3.621 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.109 -6.542 -4.964 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.392 -7.474 -6.137 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.033 -5.341 -5.020 1.00 0.00 C ATOM 0 H LEU A1036 0.978 -6.150 -3.048 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.375 -8.558 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -2.073 -7.992 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.568 -6.543 -2.871 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.076 -6.202 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.276 -6.927 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.692 -8.309 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.411 -7.853 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.914 -4.834 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.066 -5.671 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.785 -4.653 -4.212 1.00 0.00 H new ATOM 1983 N ASP A1037 1.366 -8.485 -5.003 1.00 0.00 N ATOM 1984 CA ASP A1037 2.152 -9.262 -5.967 1.00 0.00 C ATOM 1985 C ASP A1037 2.908 -10.375 -5.251 1.00 0.00 C ATOM 1986 O ASP A1037 2.924 -11.528 -5.677 1.00 0.00 O ATOM 1987 CB ASP A1037 3.140 -8.300 -6.646 1.00 0.00 C ATOM 1988 CG ASP A1037 4.110 -8.964 -7.603 1.00 0.00 C ATOM 1989 OD1 ASP A1037 5.133 -9.510 -7.138 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.885 -8.888 -8.829 1.00 0.00 O ATOM 0 H ASP A1037 1.508 -7.479 -5.090 1.00 0.00 H new ATOM 0 HA ASP A1037 1.499 -9.722 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.574 -7.543 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.709 -7.780 -5.875 1.00 0.00 H new ATOM 1995 N VAL A1038 3.527 -9.983 -4.150 1.00 0.00 N ATOM 1996 CA VAL A1038 4.222 -10.882 -3.244 1.00 0.00 C ATOM 1997 C VAL A1038 3.324 -12.014 -2.772 1.00 0.00 C ATOM 1998 O VAL A1038 3.741 -13.156 -2.822 1.00 0.00 O ATOM 1999 CB VAL A1038 4.806 -10.108 -2.033 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.135 -11.037 -0.877 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.055 -9.346 -2.447 1.00 0.00 C ATOM 0 H VAL A1038 3.561 -9.007 -3.854 1.00 0.00 H new ATOM 0 HA VAL A1038 5.047 -11.326 -3.801 1.00 0.00 H new ATOM 0 HB VAL A1038 4.043 -9.406 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.541 -10.457 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.229 -11.548 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.871 -11.773 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.454 -8.807 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.804 -10.047 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.804 -8.636 -3.235 1.00 0.00 H new ATOM 2011 N ILE A1039 2.105 -11.724 -2.342 1.00 0.00 N ATOM 2012 CA ILE A1039 1.205 -12.786 -1.893 1.00 0.00 C ATOM 2013 C ILE A1039 0.582 -13.534 -3.055 1.00 0.00 C ATOM 2014 O ILE A1039 0.395 -14.749 -2.991 1.00 0.00 O ATOM 2015 CB ILE A1039 0.124 -12.276 -0.921 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.704 -12.292 0.476 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.155 -13.108 -0.980 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.584 -11.103 0.780 1.00 0.00 C ATOM 0 H ILE A1039 1.718 -10.782 -2.293 1.00 0.00 H new ATOM 0 HA ILE A1039 1.826 -13.490 -1.340 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.159 -11.264 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.112 -12.324 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.283 -13.206 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.883 -12.706 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.567 -13.071 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.929 -14.142 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.964 -11.183 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.420 -11.081 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.004 -10.186 0.680 1.00 0.00 H new ATOM 2030 N ASP A1040 0.293 -12.832 -4.115 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.183 -13.463 -5.323 1.00 0.00 C ATOM 2032 C ASP A1040 0.835 -14.470 -5.846 1.00 0.00 C ATOM 2033 O ASP A1040 0.483 -15.598 -6.194 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.492 -12.408 -6.368 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.945 -11.990 -6.317 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.812 -12.857 -6.563 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.227 -10.818 -6.029 1.00 0.00 O ATOM 0 H ASP A1040 0.378 -11.817 -4.171 1.00 0.00 H new ATOM 0 HA ASP A1040 -1.100 -14.008 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.144 -11.538 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -0.258 -12.796 -7.359 1.00 0.00 H new ATOM 2042 N GLN A1041 2.093 -14.077 -5.884 1.00 0.00 N ATOM 2043 CA GLN A1041 3.146 -14.962 -6.282 1.00 0.00 C ATOM 2044 C GLN A1041 3.484 -15.908 -5.123 1.00 0.00 C ATOM 2045 O GLN A1041 3.959 -17.012 -5.335 1.00 0.00 O ATOM 2046 CB GLN A1041 4.342 -14.130 -6.729 1.00 0.00 C ATOM 2047 CG GLN A1041 5.599 -14.524 -6.037 1.00 0.00 C ATOM 2048 CD GLN A1041 6.288 -13.360 -5.354 1.00 0.00 C ATOM 2049 OE1 GLN A1041 6.990 -13.541 -4.358 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.081 -12.159 -5.876 1.00 0.00 N ATOM 0 H GLN A1041 2.403 -13.137 -5.639 1.00 0.00 H new ATOM 0 HA GLN A1041 2.839 -15.584 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.474 -14.238 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A1041 4.140 -13.076 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A1041 5.374 -15.292 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A1041 6.282 -14.969 -6.761 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.492 -12.057 -6.702 1.00 0.00 H new ATOM 0 HE22 GLN A1041 6.511 -11.337 -5.451 1.00 0.00 H new ATOM 2059 N ALA A1042 3.220 -15.454 -3.896 1.00 0.00 N ATOM 2060 CA ALA A1042 3.402 -16.263 -2.691 1.00 0.00 C ATOM 2061 C ALA A1042 2.663 -17.571 -2.779 1.00 0.00 C ATOM 2062 O ALA A1042 3.226 -18.625 -2.498 1.00 0.00 O ATOM 2063 CB ALA A1042 2.896 -15.523 -1.466 1.00 0.00 C ATOM 0 H ALA A1042 2.873 -14.513 -3.711 1.00 0.00 H new ATOM 0 HA ALA A1042 4.471 -16.456 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.041 -16.143 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.448 -14.590 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.835 -15.304 -1.586 1.00 0.00 H new ATOM 2069 N ARG A1043 1.402 -17.506 -3.166 1.00 0.00 N ATOM 2070 CA ARG A1043 0.597 -18.702 -3.239 1.00 0.00 C ATOM 2071 C ARG A1043 1.067 -19.570 -4.404 1.00 0.00 C ATOM 2072 O ARG A1043 1.165 -20.788 -4.284 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.896 -18.361 -3.358 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.179 -17.019 -4.013 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.646 -16.627 -3.843 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.917 -15.236 -4.224 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.012 -14.559 -3.849 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -5.003 -15.184 -3.227 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.148 -13.275 -4.156 1.00 0.00 N ATOM 0 H ARG A1043 0.921 -16.646 -3.431 1.00 0.00 H new ATOM 0 HA ARG A1043 0.722 -19.266 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.391 -19.144 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.339 -18.367 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.541 -16.253 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.932 -17.068 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.266 -17.290 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.938 -16.776 -2.803 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.232 -14.756 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -4.934 -16.183 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.834 -14.666 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -3.416 -12.796 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.984 -12.767 -3.867 1.00 0.00 H new ATOM 2093 N LEU A1044 1.387 -18.918 -5.520 1.00 0.00 N ATOM 2094 CA LEU A1044 1.982 -19.591 -6.674 1.00 0.00 C ATOM 2095 C LEU A1044 3.277 -20.300 -6.289 1.00 0.00 C ATOM 2096 O LEU A1044 3.483 -21.456 -6.623 1.00 0.00 O ATOM 2097 CB LEU A1044 2.266 -18.570 -7.783 1.00 0.00 C ATOM 2098 CG LEU A1044 3.319 -18.988 -8.823 1.00 0.00 C ATOM 2099 CD1 LEU A1044 2.844 -20.173 -9.648 1.00 0.00 C ATOM 2100 CD2 LEU A1044 3.669 -17.817 -9.726 1.00 0.00 C ATOM 0 H LEU A1044 1.243 -17.917 -5.650 1.00 0.00 H new ATOM 0 HA LEU A1044 1.274 -20.338 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.332 -18.358 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.591 -17.639 -7.319 1.00 0.00 H new ATOM 0 HG LEU A1044 4.215 -19.295 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.612 -20.443 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A1044 2.652 -21.021 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A1044 1.927 -19.907 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A1044 4.415 -18.131 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.773 -17.478 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A1044 4.070 -17.001 -9.125 1.00 0.00 H new