USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 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: A1002 MET CE :methyl -124:sc= -4.03! (180deg=-5.88!) USER MOD Set 1.2: A1021 MET CE :methyl 154:sc= -3.11! (180deg=-2.71!) USER MOD Set 2.1: A 928 ASN : amide:sc= -5.34! C(o=-5.9!,f=-16!) USER MOD Set 2.2: A 968 THR OG1 : rot -135:sc= -0.553! USER MOD Single : A 924 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.08) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= 0 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -93:sc= 1.04 USER MOD Single : A 951 TYR OH : rot 165:sc= 0 USER MOD Single : A 954 MET CE :methyl 162:sc= -0.155 (180deg=-0.72) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 972 SER OG : rot 57:sc= 1.28 USER MOD Single : A 980 THR OG1 : rot 90:sc= -0.928 USER MOD Single : A 981 HIS : no HE2:sc= 0.967 K(o=0.97,f=-3!) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN : amide:sc= -4.98! K(o=-5!,f=-0.39) USER MOD Single : A 989 LYS NZ :NH3+ -168:sc= -0.0265 (180deg=-0.252) USER MOD Single : A 992 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.6!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 1.21 K(o=1.2,f=-0.068) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1003 LYS NZ :NH3+ -170:sc= -0.0237 (180deg=-0.169) USER MOD Single : A1006 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.55) USER MOD Single : A1007 GLN : amide:sc= -3.54 K(o=-3.5,f=-2.6) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot -16:sc= 0.982 USER MOD Single : A1012 SER OG : rot 180:sc= 0.015 USER MOD Single : A1014 GLN : amide:sc= -2.43 K(o=-2.4,f=-0.21) USER MOD Single : A1015 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.38) USER MOD Single : A1017 TYR OH : rot 180:sc= -0.471 USER MOD Single : A1018 LYS NZ :NH3+ 173:sc= -3.96! (180deg=-4.24!) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -2.8 K(o=-2.8,f=-1.4) USER MOD Single : A1023 THR OG1 : rot 84:sc= 1.31 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1041 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.478 -8.677 -3.921 1.00 0.00 N ATOM 180 CA LYS A 924 -9.145 -7.826 -2.934 1.00 0.00 C ATOM 181 C LYS A 924 -8.200 -6.758 -2.366 1.00 0.00 C ATOM 182 O LYS A 924 -8.617 -5.630 -2.097 1.00 0.00 O ATOM 183 CB LYS A 924 -9.717 -8.694 -1.821 1.00 0.00 C ATOM 184 CG LYS A 924 -10.535 -7.924 -0.798 1.00 0.00 C ATOM 185 CD LYS A 924 -11.658 -7.127 -1.443 1.00 0.00 C ATOM 186 CE LYS A 924 -12.741 -8.023 -2.021 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.911 -7.235 -2.483 1.00 0.00 N ATOM 0 HA LYS A 924 -9.956 -7.295 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -10.343 -9.469 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -8.897 -9.199 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -10.956 -8.621 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -9.881 -7.247 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.099 -6.459 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.248 -6.500 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -12.334 -8.595 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.060 -8.742 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.519 -7.833 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -14.452 -6.902 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.583 -6.417 -3.035 1.00 0.00 H new ATOM 201 N VAL A 925 -6.927 -7.091 -2.235 1.00 0.00 N ATOM 202 CA VAL A 925 -5.931 -6.133 -1.758 1.00 0.00 C ATOM 203 C VAL A 925 -5.756 -4.986 -2.764 1.00 0.00 C ATOM 204 O VAL A 925 -5.465 -3.853 -2.392 1.00 0.00 O ATOM 205 CB VAL A 925 -4.576 -6.822 -1.499 1.00 0.00 C ATOM 206 CG1 VAL A 925 -3.634 -5.903 -0.747 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.777 -8.132 -0.751 1.00 0.00 C ATOM 0 H VAL A 925 -6.554 -8.016 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.292 -5.721 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 925 -4.119 -7.048 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.686 -6.413 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -3.460 -5.001 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -4.077 -5.633 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.810 -8.604 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.261 -7.934 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.404 -8.797 -1.345 1.00 0.00 H new ATOM 217 N TYR A 926 -6.005 -5.288 -4.029 1.00 0.00 N ATOM 218 CA TYR A 926 -5.840 -4.335 -5.136 1.00 0.00 C ATOM 219 C TYR A 926 -6.972 -3.323 -5.178 1.00 0.00 C ATOM 220 O TYR A 926 -6.772 -2.220 -5.671 1.00 0.00 O ATOM 221 CB TYR A 926 -5.738 -5.067 -6.493 1.00 0.00 C ATOM 222 CG TYR A 926 -6.906 -4.813 -7.441 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.128 -5.436 -7.242 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.790 -3.947 -8.518 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.198 -5.222 -8.069 1.00 0.00 C ATOM 226 CE2 TYR A 926 -7.861 -3.720 -9.365 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.066 -4.359 -9.134 1.00 0.00 C ATOM 228 OH TYR A 926 -10.133 -4.140 -9.979 1.00 0.00 O ATOM 0 H TYR A 926 -6.331 -6.207 -4.327 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.908 -3.798 -4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.814 -4.764 -6.986 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.664 -6.139 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.240 -6.112 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.852 -3.443 -8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.136 -5.725 -7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.756 -3.047 -10.203 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.872 -3.504 -10.677 1.00 0.00 H new ATOM 238 N GLU A 927 -8.144 -3.645 -4.683 1.00 0.00 N ATOM 239 CA GLU A 927 -9.167 -2.617 -4.583 1.00 0.00 C ATOM 240 C GLU A 927 -8.871 -1.704 -3.393 1.00 0.00 C ATOM 241 O GLU A 927 -9.300 -0.552 -3.377 1.00 0.00 O ATOM 242 CB GLU A 927 -10.578 -3.165 -4.525 1.00 0.00 C ATOM 243 CG GLU A 927 -10.878 -3.795 -3.201 1.00 0.00 C ATOM 244 CD GLU A 927 -12.351 -4.076 -3.013 1.00 0.00 C ATOM 245 OE1 GLU A 927 -12.844 -5.086 -3.554 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.028 -3.288 -2.323 1.00 0.00 O ATOM 0 H GLU A 927 -8.412 -4.572 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.125 -2.036 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -11.288 -2.360 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.714 -3.902 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.320 -4.727 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.532 -3.138 -2.403 1.00 0.00 H new ATOM 253 N ASN A 928 -8.137 -2.189 -2.404 1.00 0.00 N ATOM 254 CA ASN A 928 -7.641 -1.314 -1.342 1.00 0.00 C ATOM 255 C ASN A 928 -6.540 -0.420 -1.923 1.00 0.00 C ATOM 256 O ASN A 928 -6.350 0.720 -1.507 1.00 0.00 O ATOM 257 CB ASN A 928 -7.099 -2.146 -0.177 1.00 0.00 C ATOM 258 CG ASN A 928 -7.939 -3.383 0.105 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.414 -4.422 0.484 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.248 -3.283 -0.070 1.00 0.00 N ATOM 0 H ASN A 928 -7.872 -3.169 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.453 -0.695 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.076 -2.450 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.061 -1.526 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.850 -4.086 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.654 -2.403 -0.387 1.00 0.00 H new ATOM 267 N VAL A 929 -5.837 -0.970 -2.911 1.00 0.00 N ATOM 268 CA VAL A 929 -4.769 -0.280 -3.644 1.00 0.00 C ATOM 269 C VAL A 929 -5.332 0.639 -4.732 1.00 0.00 C ATOM 270 O VAL A 929 -4.727 1.676 -5.004 1.00 0.00 O ATOM 271 CB VAL A 929 -3.742 -1.262 -4.257 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.657 -0.524 -5.019 1.00 0.00 C ATOM 273 CG2 VAL A 929 -3.131 -2.143 -3.184 1.00 0.00 C ATOM 0 H VAL A 929 -5.994 -1.925 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.246 0.331 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.276 -1.897 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.952 -1.243 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.108 0.053 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.130 0.149 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.412 -2.825 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.624 -1.520 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.917 -2.718 -2.694 1.00 0.00 H new ATOM 283 N THR A 930 -6.465 0.339 -5.332 1.00 0.00 N ATOM 284 CA THR A 930 -7.076 1.321 -6.207 1.00 0.00 C ATOM 285 C THR A 930 -7.512 2.505 -5.346 1.00 0.00 C ATOM 286 O THR A 930 -7.497 3.648 -5.784 1.00 0.00 O ATOM 287 CB THR A 930 -8.266 0.749 -7.028 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.519 1.583 -8.167 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.539 0.650 -6.201 1.00 0.00 C ATOM 0 H THR A 930 -6.968 -0.543 -5.237 1.00 0.00 H new ATOM 0 HA THR A 930 -6.343 1.635 -6.951 1.00 0.00 H new ATOM 0 HB THR A 930 -7.984 -0.256 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 930 -9.269 1.216 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.342 0.245 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.369 -0.008 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.819 1.641 -5.844 1.00 0.00 H new ATOM 297 N GLY A 931 -7.861 2.204 -4.099 1.00 0.00 N ATOM 298 CA GLY A 931 -8.206 3.234 -3.144 1.00 0.00 C ATOM 299 C GLY A 931 -7.001 4.036 -2.662 1.00 0.00 C ATOM 300 O GLY A 931 -7.003 5.269 -2.733 1.00 0.00 O ATOM 0 H GLY A 931 -7.910 1.253 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.928 3.913 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.695 2.775 -2.285 1.00 0.00 H new ATOM 304 N LEU A 932 -5.968 3.343 -2.183 1.00 0.00 N ATOM 305 CA LEU A 932 -4.779 4.008 -1.639 1.00 0.00 C ATOM 306 C LEU A 932 -3.977 4.766 -2.708 1.00 0.00 C ATOM 307 O LEU A 932 -3.644 5.936 -2.526 1.00 0.00 O ATOM 308 CB LEU A 932 -3.885 2.995 -0.887 1.00 0.00 C ATOM 309 CG LEU A 932 -3.010 2.046 -1.705 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.616 2.632 -1.889 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.925 0.697 -1.009 1.00 0.00 C ATOM 0 H LEU A 932 -5.928 2.324 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.132 4.758 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.231 3.560 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.532 2.387 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.459 1.912 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -1.006 1.943 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.688 3.586 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.155 2.787 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.300 0.024 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.489 0.826 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.925 0.273 -0.913 1.00 0.00 H new ATOM 323 N VAL A 933 -3.684 4.099 -3.831 1.00 0.00 N ATOM 324 CA VAL A 933 -2.820 4.672 -4.870 1.00 0.00 C ATOM 325 C VAL A 933 -3.495 5.842 -5.559 1.00 0.00 C ATOM 326 O VAL A 933 -2.846 6.832 -5.917 1.00 0.00 O ATOM 327 CB VAL A 933 -2.426 3.621 -5.935 1.00 0.00 C ATOM 328 CG1 VAL A 933 -1.687 4.261 -7.103 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.568 2.537 -5.313 1.00 0.00 C ATOM 0 H VAL A 933 -4.032 3.164 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 933 -1.917 5.017 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.345 3.177 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.425 3.494 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.328 5.006 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -0.778 4.741 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.299 1.805 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.662 2.982 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.125 2.044 -4.516 1.00 0.00 H new ATOM 339 N LYS A 934 -4.796 5.720 -5.750 1.00 0.00 N ATOM 340 CA LYS A 934 -5.558 6.771 -6.393 1.00 0.00 C ATOM 341 C LYS A 934 -5.414 8.078 -5.614 1.00 0.00 C ATOM 342 O LYS A 934 -5.152 9.131 -6.193 1.00 0.00 O ATOM 343 CB LYS A 934 -7.015 6.346 -6.495 1.00 0.00 C ATOM 344 CG LYS A 934 -7.950 7.419 -7.021 1.00 0.00 C ATOM 345 CD LYS A 934 -9.401 7.049 -6.770 1.00 0.00 C ATOM 346 CE LYS A 934 -9.797 7.295 -5.321 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.162 6.787 -5.024 1.00 0.00 N ATOM 0 H LYS A 934 -5.344 4.907 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.175 6.941 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.081 5.474 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.359 6.034 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -7.725 8.370 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -7.786 7.557 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.045 7.632 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.558 5.999 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.078 6.810 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.754 8.363 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.393 6.974 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.852 7.268 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.197 5.763 -5.201 1.00 0.00 H new ATOM 361 N ALA A 935 -5.558 7.988 -4.296 1.00 0.00 N ATOM 362 CA ALA A 935 -5.371 9.143 -3.415 1.00 0.00 C ATOM 363 C ALA A 935 -3.985 9.776 -3.597 1.00 0.00 C ATOM 364 O ALA A 935 -3.850 10.997 -3.552 1.00 0.00 O ATOM 365 CB ALA A 935 -5.581 8.738 -1.964 1.00 0.00 C ATOM 0 H ALA A 935 -5.804 7.126 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.114 9.892 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.439 9.606 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.593 8.353 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.862 7.965 -1.694 1.00 0.00 H new ATOM 371 N VAL A 936 -2.975 8.938 -3.826 1.00 0.00 N ATOM 372 CA VAL A 936 -1.586 9.391 -3.995 1.00 0.00 C ATOM 373 C VAL A 936 -1.462 10.480 -5.062 1.00 0.00 C ATOM 374 O VAL A 936 -1.304 11.660 -4.751 1.00 0.00 O ATOM 375 CB VAL A 936 -0.669 8.211 -4.386 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.760 8.677 -4.622 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.712 7.129 -3.321 1.00 0.00 C ATOM 0 H VAL A 936 -3.091 7.927 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.276 9.804 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.040 7.792 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.381 7.824 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.775 9.410 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 936 1.150 9.132 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.060 6.305 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.373 7.541 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.733 6.763 -3.215 1.00 0.00 H new ATOM 387 N ILE A 937 -1.545 10.068 -6.316 1.00 0.00 N ATOM 388 CA ILE A 937 -1.365 10.968 -7.456 1.00 0.00 C ATOM 389 C ILE A 937 -2.499 11.988 -7.576 1.00 0.00 C ATOM 390 O ILE A 937 -2.253 13.181 -7.808 1.00 0.00 O ATOM 391 CB ILE A 937 -1.244 10.173 -8.775 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.450 9.245 -8.964 1.00 0.00 C ATOM 393 CG2 ILE A 937 0.054 9.374 -8.789 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.448 8.500 -10.283 1.00 0.00 C ATOM 0 H ILE A 937 -1.739 9.102 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.439 11.514 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.229 10.880 -9.605 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.471 8.522 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.364 9.834 -8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 937 0.129 8.818 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.901 10.055 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 937 0.062 8.678 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.331 7.864 -10.343 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.459 9.216 -11.105 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.552 7.883 -10.351 1.00 0.00 H new ATOM 406 N GLU A 938 -3.718 11.552 -7.368 1.00 0.00 N ATOM 407 CA GLU A 938 -4.862 12.425 -7.585 1.00 0.00 C ATOM 408 C GLU A 938 -4.844 13.593 -6.615 1.00 0.00 C ATOM 409 O GLU A 938 -4.960 14.753 -7.018 1.00 0.00 O ATOM 410 CB GLU A 938 -6.174 11.655 -7.482 1.00 0.00 C ATOM 411 CG GLU A 938 -6.482 10.852 -8.732 1.00 0.00 C ATOM 412 CD GLU A 938 -6.691 11.747 -9.938 1.00 0.00 C ATOM 413 OE1 GLU A 938 -5.695 12.141 -10.580 1.00 0.00 O ATOM 414 OE2 GLU A 938 -7.853 12.086 -10.231 1.00 0.00 O ATOM 0 H GLU A 938 -3.949 10.610 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 938 -4.788 12.822 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.130 10.983 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.988 12.356 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.664 10.160 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.376 10.250 -8.567 1.00 0.00 H new ATOM 421 N MET A 939 -4.670 13.300 -5.343 1.00 0.00 N ATOM 422 CA MET A 939 -4.651 14.353 -4.352 1.00 0.00 C ATOM 423 C MET A 939 -3.336 15.122 -4.421 1.00 0.00 C ATOM 424 O MET A 939 -3.272 16.288 -4.038 1.00 0.00 O ATOM 425 CB MET A 939 -4.899 13.803 -2.950 1.00 0.00 C ATOM 426 CG MET A 939 -6.286 13.212 -2.767 1.00 0.00 C ATOM 427 SD MET A 939 -7.595 14.400 -3.122 1.00 0.00 S ATOM 428 CE MET A 939 -9.044 13.375 -2.899 1.00 0.00 C ATOM 0 H MET A 939 -4.542 12.357 -4.976 1.00 0.00 H new ATOM 0 HA MET A 939 -5.464 15.044 -4.575 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.155 13.037 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.755 14.603 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 939 -6.398 12.347 -3.421 1.00 0.00 H new ATOM 0 HG3 MET A 939 -6.393 12.854 -1.743 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.940 13.967 -3.084 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.010 12.540 -3.599 1.00 0.00 H new ATOM 0 HE3 MET A 939 -9.066 12.993 -1.878 1.00 0.00 H new ATOM 438 N SER A 940 -2.284 14.460 -4.927 1.00 0.00 N ATOM 439 CA SER A 940 -0.933 15.026 -4.938 1.00 0.00 C ATOM 440 C SER A 940 -0.923 16.403 -5.578 1.00 0.00 C ATOM 441 O SER A 940 -0.202 17.302 -5.151 1.00 0.00 O ATOM 442 CB SER A 940 0.034 14.130 -5.719 1.00 0.00 C ATOM 443 OG SER A 940 -0.099 14.299 -7.120 1.00 0.00 O ATOM 0 H SER A 940 -2.348 13.527 -5.335 1.00 0.00 H new ATOM 0 HA SER A 940 -0.613 15.098 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 940 1.058 14.357 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.149 13.087 -5.461 1.00 0.00 H new ATOM 0 HG SER A 940 -0.724 13.631 -7.472 1.00 0.00 H new ATOM 600 N TYR A 951 -3.444 16.527 5.191 1.00 0.00 N ATOM 601 CA TYR A 951 -2.755 15.257 5.070 1.00 0.00 C ATOM 602 C TYR A 951 -2.852 14.433 6.349 1.00 0.00 C ATOM 603 O TYR A 951 -2.850 13.224 6.289 1.00 0.00 O ATOM 604 CB TYR A 951 -1.292 15.483 4.712 1.00 0.00 C ATOM 605 CG TYR A 951 -1.076 16.429 3.551 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.504 16.117 2.274 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.429 17.637 3.739 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.295 16.990 1.222 1.00 0.00 C ATOM 609 CE2 TYR A 951 -0.215 18.512 2.697 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.648 18.184 1.442 1.00 0.00 C ATOM 611 OH TYR A 951 -0.437 19.050 0.401 1.00 0.00 O ATOM 0 HA TYR A 951 -3.244 14.696 4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.772 15.874 5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.836 14.522 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.008 15.179 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 951 -0.083 17.901 4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.639 16.735 0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.291 19.450 2.870 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.192 19.931 0.753 1.00 0.00 H new ATOM 621 N VAL A 952 -2.920 15.084 7.505 1.00 0.00 N ATOM 622 CA VAL A 952 -3.143 14.362 8.754 1.00 0.00 C ATOM 623 C VAL A 952 -4.519 13.659 8.745 1.00 0.00 C ATOM 624 O VAL A 952 -4.588 12.462 9.009 1.00 0.00 O ATOM 625 CB VAL A 952 -2.910 15.245 10.025 1.00 0.00 C ATOM 626 CG1 VAL A 952 -3.090 16.728 9.734 1.00 0.00 C ATOM 627 CG2 VAL A 952 -3.809 14.813 11.177 1.00 0.00 C ATOM 0 H VAL A 952 -2.826 16.095 7.605 1.00 0.00 H new ATOM 0 HA VAL A 952 -2.383 13.583 8.818 1.00 0.00 H new ATOM 0 HB VAL A 952 -1.873 15.092 10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -2.918 17.301 10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -2.377 17.038 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -4.104 16.908 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -3.621 15.447 12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -4.853 14.907 10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -3.597 13.775 11.434 1.00 0.00 H new ATOM 637 N PRO A 953 -5.642 14.358 8.464 1.00 0.00 N ATOM 638 CA PRO A 953 -6.888 13.695 8.050 1.00 0.00 C ATOM 639 C PRO A 953 -6.676 12.621 6.970 1.00 0.00 C ATOM 640 O PRO A 953 -7.252 11.536 7.046 1.00 0.00 O ATOM 641 CB PRO A 953 -7.682 14.869 7.505 1.00 0.00 C ATOM 642 CG PRO A 953 -7.358 15.937 8.473 1.00 0.00 C ATOM 643 CD PRO A 953 -5.873 15.806 8.667 1.00 0.00 C ATOM 0 HA PRO A 953 -7.369 13.148 8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.378 15.131 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -8.751 14.658 7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.626 16.921 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -7.897 15.804 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.317 16.409 7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.565 16.129 9.661 1.00 0.00 H new ATOM 651 N MET A 954 -5.855 12.930 5.964 1.00 0.00 N ATOM 652 CA MET A 954 -5.510 11.961 4.917 1.00 0.00 C ATOM 653 C MET A 954 -4.812 10.743 5.513 1.00 0.00 C ATOM 654 O MET A 954 -4.978 9.627 5.033 1.00 0.00 O ATOM 655 CB MET A 954 -4.620 12.601 3.849 1.00 0.00 C ATOM 656 CG MET A 954 -3.889 11.587 2.979 1.00 0.00 C ATOM 657 SD MET A 954 -5.004 10.559 1.997 1.00 0.00 S ATOM 658 CE MET A 954 -5.837 11.799 1.008 1.00 0.00 C ATOM 0 H MET A 954 -5.416 13.844 5.851 1.00 0.00 H new ATOM 0 HA MET A 954 -6.439 11.638 4.448 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.232 13.240 3.212 1.00 0.00 H new ATOM 0 HB3 MET A 954 -3.888 13.245 4.336 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.208 12.115 2.311 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.278 10.945 3.614 1.00 0.00 H new ATOM 0 HE1 MET A 954 -6.308 11.323 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 954 -6.598 12.294 1.611 1.00 0.00 H new ATOM 0 HE3 MET A 954 -5.112 12.536 0.662 1.00 0.00 H new ATOM 668 N VAL A 955 -4.040 10.967 6.565 1.00 0.00 N ATOM 669 CA VAL A 955 -3.445 9.868 7.323 1.00 0.00 C ATOM 670 C VAL A 955 -4.523 8.866 7.719 1.00 0.00 C ATOM 671 O VAL A 955 -4.313 7.659 7.649 1.00 0.00 O ATOM 672 CB VAL A 955 -2.730 10.332 8.613 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.124 9.139 9.318 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.651 11.358 8.322 1.00 0.00 C ATOM 0 H VAL A 955 -3.809 11.896 6.916 1.00 0.00 H new ATOM 0 HA VAL A 955 -2.701 9.418 6.666 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.474 10.805 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -1.621 9.470 10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.911 8.431 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.402 8.655 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.173 11.658 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -0.906 10.923 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.098 12.231 7.846 1.00 0.00 H new ATOM 684 N LYS A 956 -5.681 9.367 8.106 1.00 0.00 N ATOM 685 CA LYS A 956 -6.807 8.498 8.416 1.00 0.00 C ATOM 686 C LYS A 956 -7.303 7.778 7.158 1.00 0.00 C ATOM 687 O LYS A 956 -7.682 6.612 7.211 1.00 0.00 O ATOM 688 CB LYS A 956 -7.963 9.292 9.031 1.00 0.00 C ATOM 689 CG LYS A 956 -7.712 9.804 10.445 1.00 0.00 C ATOM 690 CD LYS A 956 -6.740 10.971 10.461 1.00 0.00 C ATOM 691 CE LYS A 956 -6.684 11.649 11.820 1.00 0.00 C ATOM 692 NZ LYS A 956 -6.150 10.754 12.881 1.00 0.00 N ATOM 0 H LYS A 956 -5.869 10.364 8.214 1.00 0.00 H new ATOM 0 HA LYS A 956 -6.458 7.760 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.183 10.143 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.852 8.662 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -8.657 10.112 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -7.318 8.995 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -5.745 10.617 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -7.035 11.699 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -6.060 12.540 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -7.684 11.981 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -6.132 11.263 13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -6.759 9.915 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -5.185 10.457 12.632 1.00 0.00 H new ATOM 706 N GLU A 957 -7.270 8.482 6.025 1.00 0.00 N ATOM 707 CA GLU A 957 -7.864 7.983 4.784 1.00 0.00 C ATOM 708 C GLU A 957 -6.954 6.974 4.073 1.00 0.00 C ATOM 709 O GLU A 957 -7.408 5.919 3.633 1.00 0.00 O ATOM 710 CB GLU A 957 -8.201 9.147 3.847 1.00 0.00 C ATOM 711 CG GLU A 957 -9.230 10.108 4.424 1.00 0.00 C ATOM 712 CD GLU A 957 -9.643 11.194 3.450 1.00 0.00 C ATOM 713 OE1 GLU A 957 -10.389 10.887 2.494 1.00 0.00 O ATOM 714 OE2 GLU A 957 -9.251 12.362 3.650 1.00 0.00 O ATOM 0 H GLU A 957 -6.837 9.402 5.942 1.00 0.00 H new ATOM 0 HA GLU A 957 -8.783 7.461 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.288 9.697 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.576 8.748 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -10.113 9.546 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -8.822 10.571 5.323 1.00 0.00 H new ATOM 721 N VAL A 958 -5.668 7.293 3.971 1.00 0.00 N ATOM 722 CA VAL A 958 -4.706 6.395 3.336 1.00 0.00 C ATOM 723 C VAL A 958 -4.218 5.365 4.345 1.00 0.00 C ATOM 724 O VAL A 958 -3.849 4.247 3.977 1.00 0.00 O ATOM 725 CB VAL A 958 -3.514 7.159 2.709 1.00 0.00 C ATOM 726 CG1 VAL A 958 -2.662 7.831 3.775 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.671 6.235 1.843 1.00 0.00 C ATOM 0 H VAL A 958 -5.267 8.164 4.319 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.216 5.886 2.518 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.923 7.942 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.834 8.358 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.272 8.541 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.269 7.076 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.840 6.796 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.282 5.419 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.286 5.827 1.041 1.00 0.00 H new ATOM 737 N GLY A 959 -4.258 5.724 5.618 1.00 0.00 N ATOM 738 CA GLY A 959 -4.032 4.747 6.654 1.00 0.00 C ATOM 739 C GLY A 959 -5.136 3.715 6.642 1.00 0.00 C ATOM 740 O GLY A 959 -4.922 2.548 6.966 1.00 0.00 O ATOM 0 H GLY A 959 -4.442 6.671 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.068 4.262 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -3.993 5.238 7.626 1.00 0.00 H new ATOM 744 N LEU A 960 -6.322 4.157 6.239 1.00 0.00 N ATOM 745 CA LEU A 960 -7.463 3.275 6.090 1.00 0.00 C ATOM 746 C LEU A 960 -7.265 2.360 4.883 1.00 0.00 C ATOM 747 O LEU A 960 -7.594 1.182 4.926 1.00 0.00 O ATOM 748 CB LEU A 960 -8.751 4.087 5.913 1.00 0.00 C ATOM 749 CG LEU A 960 -10.052 3.292 6.030 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.289 2.871 7.472 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.227 4.107 5.507 1.00 0.00 C ATOM 0 H LEU A 960 -6.514 5.132 6.009 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.549 2.669 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -8.764 4.882 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -8.726 4.567 4.935 1.00 0.00 H new ATOM 0 HG LEU A 960 -9.963 2.393 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.219 2.306 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.461 2.248 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.357 3.757 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.144 3.524 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.321 5.024 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.059 4.357 4.459 1.00 0.00 H new ATOM 763 N ALA A 961 -6.697 2.905 3.815 1.00 0.00 N ATOM 764 CA ALA A 961 -6.552 2.170 2.565 1.00 0.00 C ATOM 765 C ALA A 961 -5.476 1.093 2.682 1.00 0.00 C ATOM 766 O ALA A 961 -5.646 -0.023 2.200 1.00 0.00 O ATOM 767 CB ALA A 961 -6.250 3.130 1.429 1.00 0.00 C ATOM 0 H ALA A 961 -6.328 3.856 3.789 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.493 1.665 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.143 2.571 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.066 3.846 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.323 3.663 1.640 1.00 0.00 H new ATOM 773 N LEU A 962 -4.387 1.423 3.363 1.00 0.00 N ATOM 774 CA LEU A 962 -3.340 0.457 3.679 1.00 0.00 C ATOM 775 C LEU A 962 -3.825 -0.550 4.715 1.00 0.00 C ATOM 776 O LEU A 962 -3.515 -1.724 4.592 1.00 0.00 O ATOM 777 CB LEU A 962 -2.075 1.154 4.197 1.00 0.00 C ATOM 778 CG LEU A 962 -1.549 0.585 5.516 1.00 0.00 C ATOM 779 CD1 LEU A 962 -0.077 0.220 5.398 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.769 1.569 6.656 1.00 0.00 C ATOM 0 H LEU A 962 -4.203 2.364 3.711 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.096 -0.068 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.293 1.075 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.285 2.215 4.329 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.108 -0.324 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 962 0.275 -0.182 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 962 0.051 -0.529 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 962 0.499 1.110 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.387 1.143 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -1.243 2.499 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.835 1.771 6.762 1.00 0.00 H new ATOM 792 N ARG A 963 -4.565 -0.140 5.732 1.00 0.00 N ATOM 793 CA ARG A 963 -5.048 -1.129 6.693 1.00 0.00 C ATOM 794 C ARG A 963 -6.052 -2.059 6.033 1.00 0.00 C ATOM 795 O ARG A 963 -6.137 -3.231 6.386 1.00 0.00 O ATOM 796 CB ARG A 963 -5.693 -0.501 7.915 1.00 0.00 C ATOM 797 CG ARG A 963 -7.033 0.133 7.596 1.00 0.00 C ATOM 798 CD ARG A 963 -7.902 0.289 8.826 1.00 0.00 C ATOM 799 NE ARG A 963 -7.287 1.148 9.832 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.941 1.654 10.874 1.00 0.00 C ATOM 801 NH1 ARG A 963 -9.236 1.406 11.029 1.00 0.00 N ATOM 802 NH2 ARG A 963 -7.302 2.418 11.750 1.00 0.00 N ATOM 0 H ARG A 963 -4.838 0.826 5.914 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.171 -1.685 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.827 -1.262 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -5.025 0.255 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.871 1.111 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.555 -0.478 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.867 0.705 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.095 -0.693 9.259 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.298 1.374 9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.729 0.827 10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -9.737 1.794 11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -6.310 2.617 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -7.803 2.806 12.549 1.00 0.00 H new ATOM 816 N THR A 964 -6.795 -1.545 5.064 1.00 0.00 N ATOM 817 CA THR A 964 -7.752 -2.374 4.351 1.00 0.00 C ATOM 818 C THR A 964 -6.980 -3.376 3.519 1.00 0.00 C ATOM 819 O THR A 964 -7.307 -4.559 3.463 1.00 0.00 O ATOM 820 CB THR A 964 -8.695 -1.549 3.448 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.339 -0.526 4.217 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.757 -2.448 2.842 1.00 0.00 C ATOM 0 H THR A 964 -6.755 -0.573 4.758 1.00 0.00 H new ATOM 0 HA THR A 964 -8.385 -2.877 5.082 1.00 0.00 H new ATOM 0 HB THR A 964 -8.102 -1.095 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.771 0.272 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.416 -1.856 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.279 -3.224 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.340 -2.911 3.638 1.00 0.00 H new ATOM 830 N LEU A 965 -5.915 -2.875 2.926 1.00 0.00 N ATOM 831 CA LEU A 965 -4.992 -3.686 2.164 1.00 0.00 C ATOM 832 C LEU A 965 -4.308 -4.707 3.052 1.00 0.00 C ATOM 833 O LEU A 965 -4.088 -5.852 2.663 1.00 0.00 O ATOM 834 CB LEU A 965 -3.949 -2.779 1.516 1.00 0.00 C ATOM 835 CG LEU A 965 -2.574 -3.404 1.292 1.00 0.00 C ATOM 836 CD1 LEU A 965 -1.981 -2.877 0.002 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.643 -3.088 2.451 1.00 0.00 C ATOM 0 H LEU A 965 -5.666 -1.887 2.961 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.546 -4.224 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.335 -2.442 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.828 -1.893 2.139 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.690 -4.486 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.000 -3.324 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.636 -3.134 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -1.880 -1.793 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.669 -3.543 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.528 -2.008 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.064 -3.486 3.374 1.00 0.00 H new ATOM 849 N LEU A 966 -3.962 -4.287 4.253 1.00 0.00 N ATOM 850 CA LEU A 966 -3.172 -5.120 5.116 1.00 0.00 C ATOM 851 C LEU A 966 -4.060 -6.200 5.696 1.00 0.00 C ATOM 852 O LEU A 966 -3.634 -7.325 5.883 1.00 0.00 O ATOM 853 CB LEU A 966 -2.506 -4.269 6.214 1.00 0.00 C ATOM 854 CG LEU A 966 -1.592 -5.012 7.197 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.514 -4.076 7.716 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.389 -5.573 8.367 1.00 0.00 C ATOM 0 H LEU A 966 -4.217 -3.380 4.644 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.370 -5.597 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.922 -3.486 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.291 -3.775 6.786 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.128 -5.842 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.129 -4.613 8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.082 -3.709 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -0.979 -3.233 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.717 -6.095 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.881 -4.757 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.140 -6.269 7.995 1.00 0.00 H new ATOM 868 N ALA A 967 -5.311 -5.834 5.953 1.00 0.00 N ATOM 869 CA ALA A 967 -6.299 -6.760 6.483 1.00 0.00 C ATOM 870 C ALA A 967 -6.734 -7.768 5.432 1.00 0.00 C ATOM 871 O ALA A 967 -7.055 -8.892 5.778 1.00 0.00 O ATOM 872 CB ALA A 967 -7.502 -6.014 7.042 1.00 0.00 C ATOM 0 H ALA A 967 -5.666 -4.890 5.800 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.829 -7.309 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.225 -6.730 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.178 -5.352 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.965 -5.425 6.250 1.00 0.00 H new ATOM 878 N THR A 968 -6.738 -7.390 4.160 1.00 0.00 N ATOM 879 CA THR A 968 -7.041 -8.346 3.100 1.00 0.00 C ATOM 880 C THR A 968 -5.894 -9.347 2.944 1.00 0.00 C ATOM 881 O THR A 968 -6.117 -10.548 2.796 1.00 0.00 O ATOM 882 CB THR A 968 -7.328 -7.638 1.760 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.350 -6.631 1.519 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.709 -7.012 1.773 1.00 0.00 C ATOM 0 H THR A 968 -6.538 -6.443 3.839 1.00 0.00 H new ATOM 0 HA THR A 968 -7.944 -8.885 3.386 1.00 0.00 H new ATOM 0 HB THR A 968 -7.285 -8.381 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.793 -5.812 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.893 -6.517 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.459 -7.788 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.769 -6.280 2.579 1.00 0.00 H new ATOM 892 N VAL A 969 -4.667 -8.843 3.013 1.00 0.00 N ATOM 893 CA VAL A 969 -3.472 -9.700 3.043 1.00 0.00 C ATOM 894 C VAL A 969 -3.390 -10.485 4.363 1.00 0.00 C ATOM 895 O VAL A 969 -3.062 -11.675 4.370 1.00 0.00 O ATOM 896 CB VAL A 969 -2.166 -8.894 2.843 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.958 -9.813 2.841 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.211 -8.102 1.553 1.00 0.00 C ATOM 0 H VAL A 969 -4.466 -7.844 3.050 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.572 -10.397 2.211 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.076 -8.199 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 969 -0.052 -9.223 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.901 -10.341 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -1.052 -10.535 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.282 -7.544 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.334 -8.784 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -3.050 -7.407 1.582 1.00 0.00 H new ATOM 908 N ASP A 970 -3.762 -9.854 5.462 1.00 0.00 N ATOM 909 CA ASP A 970 -3.720 -10.515 6.767 1.00 0.00 C ATOM 910 C ASP A 970 -4.769 -11.612 6.796 1.00 0.00 C ATOM 911 O ASP A 970 -4.545 -12.715 7.295 1.00 0.00 O ATOM 912 CB ASP A 970 -3.974 -9.512 7.899 1.00 0.00 C ATOM 913 CG ASP A 970 -4.148 -10.175 9.251 1.00 0.00 C ATOM 914 OD1 ASP A 970 -3.130 -10.545 9.873 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.307 -10.308 9.704 1.00 0.00 O ATOM 0 H ASP A 970 -4.096 -8.890 5.484 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.729 -10.944 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.141 -8.811 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.867 -8.931 7.668 1.00 0.00 H new ATOM 920 N GLU A 971 -5.903 -11.292 6.209 1.00 0.00 N ATOM 921 CA GLU A 971 -7.006 -12.217 6.089 1.00 0.00 C ATOM 922 C GLU A 971 -6.608 -13.375 5.182 1.00 0.00 C ATOM 923 O GLU A 971 -7.029 -14.511 5.380 1.00 0.00 O ATOM 924 CB GLU A 971 -8.203 -11.466 5.526 1.00 0.00 C ATOM 925 CG GLU A 971 -9.492 -12.267 5.489 1.00 0.00 C ATOM 926 CD GLU A 971 -10.667 -11.448 5.003 1.00 0.00 C ATOM 927 OE1 GLU A 971 -11.315 -10.778 5.834 1.00 0.00 O ATOM 928 OE2 GLU A 971 -10.951 -11.463 3.789 1.00 0.00 O ATOM 0 H GLU A 971 -6.085 -10.376 5.799 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.269 -12.630 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.366 -10.568 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.966 -11.137 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.361 -13.131 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.707 -12.650 6.487 1.00 0.00 H new ATOM 935 N SER A 972 -5.770 -13.066 4.202 1.00 0.00 N ATOM 936 CA SER A 972 -5.212 -14.068 3.306 1.00 0.00 C ATOM 937 C SER A 972 -4.270 -15.007 4.055 1.00 0.00 C ATOM 938 O SER A 972 -3.987 -16.110 3.579 1.00 0.00 O ATOM 939 CB SER A 972 -4.481 -13.396 2.141 1.00 0.00 C ATOM 940 OG SER A 972 -5.383 -12.655 1.335 1.00 0.00 O ATOM 0 H SER A 972 -5.458 -12.115 4.006 1.00 0.00 H new ATOM 0 HA SER A 972 -6.035 -14.661 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.705 -12.735 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.983 -14.152 1.535 1.00 0.00 H new ATOM 0 HG SER A 972 -5.844 -11.990 1.887 1.00 0.00 H new ATOM 946 N LEU A 973 -3.810 -14.598 5.238 1.00 0.00 N ATOM 947 CA LEU A 973 -2.877 -15.416 6.004 1.00 0.00 C ATOM 948 C LEU A 973 -3.577 -16.682 6.513 1.00 0.00 C ATOM 949 O LEU A 973 -3.078 -17.785 6.290 1.00 0.00 O ATOM 950 CB LEU A 973 -2.259 -14.601 7.158 1.00 0.00 C ATOM 951 CG LEU A 973 -1.086 -15.254 7.901 1.00 0.00 C ATOM 952 CD1 LEU A 973 -0.250 -14.191 8.597 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.577 -16.269 8.926 1.00 0.00 C ATOM 0 H LEU A 973 -4.066 -13.715 5.680 1.00 0.00 H new ATOM 0 HA LEU A 973 -2.060 -15.726 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.921 -13.645 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -3.044 -14.384 7.882 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.474 -15.776 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 973 0.579 -14.666 9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.141 -13.493 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.870 -13.651 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.722 -16.714 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -2.215 -15.770 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -2.146 -17.050 8.421 1.00 0.00 H new ATOM 965 N PRO A 974 -4.739 -16.573 7.200 1.00 0.00 N ATOM 966 CA PRO A 974 -5.519 -17.753 7.574 1.00 0.00 C ATOM 967 C PRO A 974 -6.405 -18.267 6.436 1.00 0.00 C ATOM 968 O PRO A 974 -7.132 -19.244 6.610 1.00 0.00 O ATOM 969 CB PRO A 974 -6.375 -17.281 8.759 1.00 0.00 C ATOM 970 CG PRO A 974 -5.980 -15.860 9.011 1.00 0.00 C ATOM 971 CD PRO A 974 -5.353 -15.362 7.742 1.00 0.00 C ATOM 0 HA PRO A 974 -4.869 -18.593 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -7.437 -17.356 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -6.197 -17.898 9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.848 -15.257 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -5.278 -15.794 9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -6.093 -14.942 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.615 -14.582 7.932 1.00 0.00 H new ATOM 979 N VAL A 975 -6.357 -17.616 5.278 1.00 0.00 N ATOM 980 CA VAL A 975 -7.016 -18.158 4.090 1.00 0.00 C ATOM 981 C VAL A 975 -6.222 -19.345 3.559 1.00 0.00 C ATOM 982 O VAL A 975 -6.768 -20.432 3.356 1.00 0.00 O ATOM 983 CB VAL A 975 -7.194 -17.103 2.969 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.466 -17.770 1.626 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.333 -16.155 3.304 1.00 0.00 C ATOM 0 H VAL A 975 -5.878 -16.727 5.135 1.00 0.00 H new ATOM 0 HA VAL A 975 -8.014 -18.475 4.392 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.265 -16.538 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -7.587 -17.006 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.629 -18.418 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.377 -18.364 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.443 -15.421 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.259 -16.721 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.116 -15.642 4.241 1.00 0.00 H new ATOM 1049 N THR A 980 2.922 -19.346 2.920 1.00 0.00 N ATOM 1050 CA THR A 980 2.408 -18.062 2.413 1.00 0.00 C ATOM 1051 C THR A 980 2.257 -16.996 3.498 1.00 0.00 C ATOM 1052 O THR A 980 2.420 -15.807 3.216 1.00 0.00 O ATOM 1053 CB THR A 980 1.094 -18.244 1.618 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.425 -18.681 0.306 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.279 -16.963 1.525 1.00 0.00 C ATOM 0 HA THR A 980 3.170 -17.691 1.727 1.00 0.00 H new ATOM 0 HB THR A 980 0.481 -18.976 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.455 -19.660 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.631 -17.152 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.017 -16.625 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 980 0.867 -16.193 1.024 1.00 0.00 H new ATOM 1063 N HIS A 981 2.004 -17.411 4.737 1.00 0.00 N ATOM 1064 CA HIS A 981 1.965 -16.470 5.857 1.00 0.00 C ATOM 1065 C HIS A 981 3.202 -15.581 5.884 1.00 0.00 C ATOM 1066 O HIS A 981 3.110 -14.427 6.250 1.00 0.00 O ATOM 1067 CB HIS A 981 1.829 -17.176 7.209 1.00 0.00 C ATOM 1068 CG HIS A 981 2.938 -18.116 7.521 1.00 0.00 C ATOM 1069 ND1 HIS A 981 4.035 -17.791 8.292 1.00 0.00 N ATOM 1070 CD2 HIS A 981 3.101 -19.390 7.151 1.00 0.00 C ATOM 1071 CE1 HIS A 981 4.825 -18.841 8.382 1.00 0.00 C ATOM 1072 NE2 HIS A 981 4.279 -19.827 7.697 1.00 0.00 N ATOM 0 H HIS A 981 1.824 -18.382 4.991 1.00 0.00 H new ATOM 0 HA HIS A 981 1.079 -15.855 5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 981 1.774 -16.423 7.995 1.00 0.00 H new ATOM 0 HB3 HIS A 981 0.887 -17.724 7.227 1.00 0.00 H new ATOM 0 HD1 HIS A 981 4.207 -16.883 8.723 1.00 0.00 H new ATOM 0 HD2 HIS A 981 2.428 -19.968 6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 981 5.759 -18.887 8.923 1.00 0.00 H new ATOM 1081 N ARG A 982 4.343 -16.104 5.440 1.00 0.00 N ATOM 1082 CA ARG A 982 5.605 -15.374 5.555 1.00 0.00 C ATOM 1083 C ARG A 982 5.769 -14.379 4.411 1.00 0.00 C ATOM 1084 O ARG A 982 6.523 -13.414 4.539 1.00 0.00 O ATOM 1085 CB ARG A 982 6.808 -16.315 5.653 1.00 0.00 C ATOM 1086 CG ARG A 982 7.153 -17.016 4.342 1.00 0.00 C ATOM 1087 CD ARG A 982 8.293 -18.007 4.523 1.00 0.00 C ATOM 1088 NE ARG A 982 9.448 -17.411 5.194 1.00 0.00 N ATOM 1089 CZ ARG A 982 10.673 -17.930 5.179 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.947 -18.985 4.422 1.00 0.00 N ATOM 1091 NH2 ARG A 982 11.635 -17.374 5.904 1.00 0.00 N ATOM 0 H ARG A 982 4.421 -17.022 5.001 1.00 0.00 H new ATOM 0 HA ARG A 982 5.568 -14.811 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.675 -15.746 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.606 -17.068 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.273 -17.537 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.430 -16.274 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 982 7.940 -18.861 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.599 -18.387 3.548 1.00 0.00 H new ATOM 0 HE ARG A 982 9.305 -16.541 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.216 -19.403 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 982 11.888 -19.377 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 982 11.435 -16.550 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 982 12.575 -17.770 5.894 1.00 0.00 H new ATOM 1105 N GLU A 983 5.056 -14.573 3.315 1.00 0.00 N ATOM 1106 CA GLU A 983 5.004 -13.542 2.292 1.00 0.00 C ATOM 1107 C GLU A 983 4.062 -12.451 2.764 1.00 0.00 C ATOM 1108 O GLU A 983 4.289 -11.266 2.536 1.00 0.00 O ATOM 1109 CB GLU A 983 4.529 -14.093 0.950 1.00 0.00 C ATOM 1110 CG GLU A 983 5.595 -14.045 -0.135 1.00 0.00 C ATOM 1111 CD GLU A 983 6.570 -15.200 -0.073 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.371 -15.269 0.881 1.00 0.00 O ATOM 1113 OE2 GLU A 983 6.532 -16.054 -0.982 1.00 0.00 O ATOM 0 H GLU A 983 4.516 -15.414 3.112 1.00 0.00 H new ATOM 0 HA GLU A 983 6.009 -13.148 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.204 -15.125 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.659 -13.525 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.109 -14.042 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.147 -13.109 -0.050 1.00 0.00 H new ATOM 1120 N ILE A 984 3.030 -12.875 3.476 1.00 0.00 N ATOM 1121 CA ILE A 984 2.050 -11.976 4.063 1.00 0.00 C ATOM 1122 C ILE A 984 2.691 -11.204 5.202 1.00 0.00 C ATOM 1123 O ILE A 984 2.393 -10.034 5.415 1.00 0.00 O ATOM 1124 CB ILE A 984 0.841 -12.781 4.581 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.110 -13.428 3.407 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.100 -11.910 5.398 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.790 -14.566 3.803 1.00 0.00 C ATOM 0 H ILE A 984 2.848 -13.861 3.664 1.00 0.00 H new ATOM 0 HA ILE A 984 1.703 -11.274 3.305 1.00 0.00 H new ATOM 0 HB ILE A 984 1.207 -13.565 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.483 -12.668 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.845 -13.792 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.940 -12.510 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.435 -11.501 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.470 -11.093 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -1.274 -14.973 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.200 -15.346 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.550 -14.205 4.496 1.00 0.00 H new ATOM 1139 N GLU A 985 3.615 -11.848 5.878 1.00 0.00 N ATOM 1140 CA GLU A 985 4.347 -11.218 6.954 1.00 0.00 C ATOM 1141 C GLU A 985 5.217 -10.097 6.414 1.00 0.00 C ATOM 1142 O GLU A 985 5.150 -8.956 6.871 1.00 0.00 O ATOM 1143 CB GLU A 985 5.215 -12.258 7.672 1.00 0.00 C ATOM 1144 CG GLU A 985 4.391 -13.227 8.512 1.00 0.00 C ATOM 1145 CD GLU A 985 5.219 -14.279 9.223 1.00 0.00 C ATOM 1146 OE1 GLU A 985 5.740 -13.986 10.318 1.00 0.00 O ATOM 1147 OE2 GLU A 985 5.331 -15.409 8.706 1.00 0.00 O ATOM 0 H GLU A 985 3.879 -12.817 5.700 1.00 0.00 H new ATOM 0 HA GLU A 985 3.636 -10.796 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 985 5.789 -12.819 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 985 5.933 -11.747 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 985 3.826 -12.661 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 985 3.665 -13.724 7.869 1.00 0.00 H new ATOM 1154 N MET A 986 6.005 -10.431 5.397 1.00 0.00 N ATOM 1155 CA MET A 986 7.002 -9.517 4.871 1.00 0.00 C ATOM 1156 C MET A 986 6.367 -8.362 4.105 1.00 0.00 C ATOM 1157 O MET A 986 6.788 -7.214 4.219 1.00 0.00 O ATOM 1158 CB MET A 986 7.968 -10.271 3.956 1.00 0.00 C ATOM 1159 CG MET A 986 9.015 -11.066 4.715 1.00 0.00 C ATOM 1160 SD MET A 986 10.077 -10.008 5.720 1.00 0.00 S ATOM 1161 CE MET A 986 11.131 -11.230 6.495 1.00 0.00 C ATOM 0 H MET A 986 5.969 -11.333 4.922 1.00 0.00 H new ATOM 0 HA MET A 986 7.544 -9.098 5.719 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.400 -10.948 3.318 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.468 -9.558 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.521 -11.796 5.356 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.627 -11.626 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.845 -10.731 7.150 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.521 -11.918 7.080 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.669 -11.786 5.727 1.00 0.00 H new ATOM 1171 N ALA A 987 5.354 -8.693 3.315 1.00 0.00 N ATOM 1172 CA ALA A 987 4.745 -7.757 2.380 1.00 0.00 C ATOM 1173 C ALA A 987 3.839 -6.731 3.058 1.00 0.00 C ATOM 1174 O ALA A 987 3.977 -5.536 2.803 1.00 0.00 O ATOM 1175 CB ALA A 987 3.978 -8.513 1.311 1.00 0.00 C ATOM 0 H ALA A 987 4.931 -9.621 3.305 1.00 0.00 H new ATOM 0 HA ALA A 987 5.560 -7.195 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.527 -7.804 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.660 -9.168 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.196 -9.111 1.779 1.00 0.00 H new ATOM 1181 N GLN A 988 2.891 -7.177 3.890 1.00 0.00 N ATOM 1182 CA GLN A 988 2.020 -6.222 4.572 1.00 0.00 C ATOM 1183 C GLN A 988 2.855 -5.323 5.484 1.00 0.00 C ATOM 1184 O GLN A 988 2.517 -4.166 5.721 1.00 0.00 O ATOM 1185 CB GLN A 988 0.880 -6.930 5.325 1.00 0.00 C ATOM 1186 CG GLN A 988 1.264 -7.574 6.646 1.00 0.00 C ATOM 1187 CD GLN A 988 0.188 -8.523 7.159 1.00 0.00 C ATOM 1188 OE1 GLN A 988 0.477 -9.470 7.889 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -1.058 -8.287 6.763 1.00 0.00 N ATOM 0 H GLN A 988 2.713 -8.159 4.101 1.00 0.00 H new ATOM 0 HA GLN A 988 1.537 -5.590 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.088 -6.205 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.462 -7.699 4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.199 -8.120 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.444 -6.796 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.259 -7.491 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -1.814 -8.902 7.065 1.00 0.00 H new ATOM 1198 N LYS A 989 3.968 -5.868 5.952 1.00 0.00 N ATOM 1199 CA LYS A 989 4.982 -5.106 6.668 1.00 0.00 C ATOM 1200 C LYS A 989 5.723 -4.128 5.754 1.00 0.00 C ATOM 1201 O LYS A 989 6.069 -3.018 6.153 1.00 0.00 O ATOM 1202 CB LYS A 989 5.980 -6.084 7.257 1.00 0.00 C ATOM 1203 CG LYS A 989 7.387 -5.535 7.403 1.00 0.00 C ATOM 1204 CD LYS A 989 8.334 -6.566 7.982 1.00 0.00 C ATOM 1205 CE LYS A 989 9.724 -5.985 8.203 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.279 -5.366 6.967 1.00 0.00 N ATOM 0 H LYS A 989 4.195 -6.857 5.845 1.00 0.00 H new ATOM 0 HA LYS A 989 4.488 -4.521 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.624 -6.401 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.014 -6.973 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.754 -5.210 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.369 -4.655 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 989 7.938 -6.935 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.399 -7.421 7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 989 9.681 -5.237 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.395 -6.773 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.291 -5.168 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 10.158 -6.019 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 9.776 -4.478 6.768 1.00 0.00 H new ATOM 1220 N LEU A 990 6.027 -4.592 4.549 1.00 0.00 N ATOM 1221 CA LEU A 990 6.795 -3.814 3.594 1.00 0.00 C ATOM 1222 C LEU A 990 6.247 -2.399 3.396 1.00 0.00 C ATOM 1223 O LEU A 990 6.942 -1.419 3.684 1.00 0.00 O ATOM 1224 CB LEU A 990 6.816 -4.551 2.265 1.00 0.00 C ATOM 1225 CG LEU A 990 7.405 -3.759 1.120 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.924 -3.725 1.218 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.956 -4.343 -0.212 1.00 0.00 C ATOM 0 H LEU A 990 5.749 -5.513 4.210 1.00 0.00 H new ATOM 0 HA LEU A 990 7.803 -3.703 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.385 -5.473 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.797 -4.837 2.006 1.00 0.00 H new ATOM 0 HG LEU A 990 7.042 -2.733 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 990 9.330 -3.150 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.218 -3.258 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.314 -4.742 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 990 7.388 -3.763 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.290 -5.378 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.869 -4.307 -0.277 1.00 0.00 H new ATOM 1239 N LEU A 991 5.006 -2.283 2.944 1.00 0.00 N ATOM 1240 CA LEU A 991 4.427 -0.966 2.695 1.00 0.00 C ATOM 1241 C LEU A 991 4.036 -0.322 4.005 1.00 0.00 C ATOM 1242 O LEU A 991 3.868 0.891 4.099 1.00 0.00 O ATOM 1243 CB LEU A 991 3.215 -1.045 1.780 1.00 0.00 C ATOM 1244 CG LEU A 991 1.875 -1.303 2.460 1.00 0.00 C ATOM 1245 CD1 LEU A 991 0.743 -0.922 1.523 1.00 0.00 C ATOM 1246 CD2 LEU A 991 1.756 -2.761 2.879 1.00 0.00 C ATOM 0 H LEU A 991 4.388 -3.069 2.744 1.00 0.00 H new ATOM 0 HA LEU A 991 5.183 -0.361 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 991 3.143 -0.110 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 991 3.387 -1.836 1.051 1.00 0.00 H new ATOM 0 HG LEU A 991 1.812 -0.689 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 991 -0.213 -1.108 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 991 0.821 0.135 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 991 0.807 -1.519 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 991 0.792 -2.923 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 991 1.833 -3.400 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.557 -3.006 3.576 1.00 0.00 H new ATOM 1258 N ASN A 992 3.884 -1.167 5.003 1.00 0.00 N ATOM 1259 CA ASN A 992 3.597 -0.746 6.354 1.00 0.00 C ATOM 1260 C ASN A 992 4.584 0.331 6.811 1.00 0.00 C ATOM 1261 O ASN A 992 4.177 1.422 7.219 1.00 0.00 O ATOM 1262 CB ASN A 992 3.692 -1.981 7.223 1.00 0.00 C ATOM 1263 CG ASN A 992 3.254 -1.787 8.667 1.00 0.00 C ATOM 1264 OD1 ASN A 992 3.385 -0.710 9.247 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.722 -2.848 9.256 1.00 0.00 N ATOM 0 H ASN A 992 3.958 -2.179 4.895 1.00 0.00 H new ATOM 0 HA ASN A 992 2.603 -0.303 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.084 -2.768 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.724 -2.333 7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.404 -2.789 10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.630 -3.724 8.742 1.00 0.00 H new ATOM 1272 N SER A 993 5.871 0.046 6.709 1.00 0.00 N ATOM 1273 CA SER A 993 6.884 1.012 7.117 1.00 0.00 C ATOM 1274 C SER A 993 7.007 2.167 6.111 1.00 0.00 C ATOM 1275 O SER A 993 7.259 3.304 6.510 1.00 0.00 O ATOM 1276 CB SER A 993 8.231 0.320 7.321 1.00 0.00 C ATOM 1277 OG SER A 993 8.071 -0.905 8.021 1.00 0.00 O ATOM 0 H SER A 993 6.239 -0.836 6.352 1.00 0.00 H new ATOM 0 HA SER A 993 6.568 1.443 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.698 0.133 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.901 0.976 7.877 1.00 0.00 H new ATOM 0 HG SER A 993 8.946 -1.331 8.139 1.00 0.00 H new ATOM 1283 N ASP A 994 6.831 1.895 4.826 1.00 0.00 N ATOM 1284 CA ASP A 994 6.902 2.977 3.833 1.00 0.00 C ATOM 1285 C ASP A 994 5.743 3.973 3.987 1.00 0.00 C ATOM 1286 O ASP A 994 5.901 5.164 3.740 1.00 0.00 O ATOM 1287 CB ASP A 994 6.994 2.441 2.403 1.00 0.00 C ATOM 1288 CG ASP A 994 8.432 2.418 1.910 1.00 0.00 C ATOM 1289 OD1 ASP A 994 9.248 1.661 2.477 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.762 3.171 0.970 1.00 0.00 O ATOM 0 H ASP A 994 6.643 0.967 4.446 1.00 0.00 H new ATOM 0 HA ASP A 994 7.825 3.521 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.578 1.434 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.391 3.062 1.741 1.00 0.00 H new ATOM 1295 N LEU A 995 4.585 3.482 4.403 1.00 0.00 N ATOM 1296 CA LEU A 995 3.461 4.344 4.781 1.00 0.00 C ATOM 1297 C LEU A 995 3.764 5.087 6.077 1.00 0.00 C ATOM 1298 O LEU A 995 3.198 6.149 6.322 1.00 0.00 O ATOM 1299 CB LEU A 995 2.148 3.559 4.885 1.00 0.00 C ATOM 1300 CG LEU A 995 0.956 4.347 5.436 1.00 0.00 C ATOM 1301 CD1 LEU A 995 -0.292 4.071 4.617 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.714 3.995 6.897 1.00 0.00 C ATOM 0 H LEU A 995 4.393 2.484 4.490 1.00 0.00 H new ATOM 0 HA LEU A 995 3.330 5.080 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.888 3.185 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 995 2.313 2.690 5.521 1.00 0.00 H new ATOM 0 HG LEU A 995 1.188 5.410 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -1.128 4.640 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -0.121 4.368 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.525 3.007 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -0.137 4.564 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 995 0.504 2.929 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.601 4.240 7.482 1.00 0.00 H new ATOM 1314 N ALA A 996 4.693 4.597 6.873 1.00 0.00 N ATOM 1315 CA ALA A 996 5.160 5.386 8.012 1.00 0.00 C ATOM 1316 C ALA A 996 6.094 6.501 7.520 1.00 0.00 C ATOM 1317 O ALA A 996 6.167 7.575 8.125 1.00 0.00 O ATOM 1318 CB ALA A 996 5.820 4.520 9.076 1.00 0.00 C ATOM 0 H ALA A 996 5.134 3.683 6.764 1.00 0.00 H new ATOM 0 HA ALA A 996 4.295 5.844 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 996 6.151 5.148 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 996 5.103 3.785 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.679 4.005 8.645 1.00 0.00 H new ATOM 1324 N GLU A 997 6.741 6.279 6.380 1.00 0.00 N ATOM 1325 CA GLU A 997 7.510 7.334 5.720 1.00 0.00 C ATOM 1326 C GLU A 997 6.546 8.343 5.138 1.00 0.00 C ATOM 1327 O GLU A 997 6.694 9.546 5.332 1.00 0.00 O ATOM 1328 CB GLU A 997 8.356 6.766 4.582 1.00 0.00 C ATOM 1329 CG GLU A 997 9.323 5.694 5.016 1.00 0.00 C ATOM 1330 CD GLU A 997 10.365 6.218 5.985 1.00 0.00 C ATOM 1331 OE1 GLU A 997 11.141 7.118 5.601 1.00 0.00 O ATOM 1332 OE2 GLU A 997 10.397 5.749 7.143 1.00 0.00 O ATOM 0 H GLU A 997 6.750 5.382 5.894 1.00 0.00 H new ATOM 0 HA GLU A 997 8.170 7.795 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.694 6.357 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.914 7.578 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.772 4.878 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.821 5.280 4.139 1.00 0.00 H new ATOM 1339 N LEU A 998 5.534 7.821 4.472 1.00 0.00 N ATOM 1340 CA LEU A 998 4.541 8.628 3.799 1.00 0.00 C ATOM 1341 C LEU A 998 3.886 9.625 4.749 1.00 0.00 C ATOM 1342 O LEU A 998 3.752 10.809 4.429 1.00 0.00 O ATOM 1343 CB LEU A 998 3.483 7.712 3.211 1.00 0.00 C ATOM 1344 CG LEU A 998 2.077 8.312 3.137 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.670 8.543 1.698 1.00 0.00 C ATOM 1346 CD2 LEU A 998 1.073 7.420 3.845 1.00 0.00 C ATOM 0 H LEU A 998 5.379 6.817 4.384 1.00 0.00 H new ATOM 0 HA LEU A 998 5.035 9.198 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.792 7.423 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.442 6.800 3.807 1.00 0.00 H new ATOM 0 HG LEU A 998 2.091 9.276 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.668 8.970 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.372 9.231 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.677 7.594 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.081 7.866 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.061 6.438 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.355 7.314 4.893 1.00 0.00 H new ATOM 1358 N ILE A 999 3.510 9.142 5.927 1.00 0.00 N ATOM 1359 CA ILE A 999 2.794 9.958 6.900 1.00 0.00 C ATOM 1360 C ILE A 999 3.663 11.112 7.407 1.00 0.00 C ATOM 1361 O ILE A 999 3.168 12.217 7.603 1.00 0.00 O ATOM 1362 CB ILE A 999 2.295 9.105 8.087 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.248 8.091 7.610 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.716 9.988 9.183 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.790 7.132 8.690 1.00 0.00 C ATOM 0 H ILE A 999 3.690 8.186 6.232 1.00 0.00 H new ATOM 0 HA ILE A 999 1.927 10.380 6.391 1.00 0.00 H new ATOM 0 HB ILE A 999 3.146 8.563 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.383 8.630 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.662 7.518 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.371 9.365 10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.484 10.673 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.877 10.559 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 999 0.050 6.446 8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.645 6.565 9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.345 7.694 9.511 1.00 0.00 H new ATOM 1377 N ASN A1000 4.956 10.870 7.596 1.00 0.00 N ATOM 1378 CA ASN A1000 5.866 11.936 8.030 1.00 0.00 C ATOM 1379 C ASN A1000 5.921 13.078 7.007 1.00 0.00 C ATOM 1380 O ASN A1000 5.897 14.260 7.366 1.00 0.00 O ATOM 1381 CB ASN A1000 7.280 11.394 8.266 1.00 0.00 C ATOM 1382 CG ASN A1000 7.458 10.773 9.641 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.791 11.462 10.607 1.00 0.00 O ATOM 1384 ND2 ASN A1000 7.258 9.469 9.741 1.00 0.00 N ATOM 0 H ASN A1000 5.397 9.961 7.459 1.00 0.00 H new ATOM 0 HA ASN A1000 5.473 12.326 8.969 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.509 10.648 7.505 1.00 0.00 H new ATOM 0 HB3 ASN A1000 7.998 12.205 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A1000 7.379 9.002 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.983 8.931 8.919 1.00 0.00 H new ATOM 1391 N LYS A1001 5.933 12.716 5.730 1.00 0.00 N ATOM 1392 CA LYS A1001 6.160 13.684 4.661 1.00 0.00 C ATOM 1393 C LYS A1001 4.892 14.493 4.449 1.00 0.00 C ATOM 1394 O LYS A1001 4.908 15.725 4.376 1.00 0.00 O ATOM 1395 CB LYS A1001 6.542 12.990 3.344 1.00 0.00 C ATOM 1396 CG LYS A1001 7.390 11.730 3.489 1.00 0.00 C ATOM 1397 CD LYS A1001 8.695 11.969 4.236 1.00 0.00 C ATOM 1398 CE LYS A1001 9.563 10.715 4.224 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.775 10.860 5.074 1.00 0.00 N ATOM 0 H LYS A1001 5.788 11.759 5.408 1.00 0.00 H new ATOM 0 HA LYS A1001 6.986 14.332 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.627 12.732 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.084 13.702 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.812 10.969 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.613 11.334 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.236 12.796 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.482 12.260 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.976 9.866 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.864 10.494 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.334 9.984 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 11.350 11.653 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.490 11.045 6.057 1.00 0.00 H new ATOM 1413 N MET A1002 3.780 13.783 4.412 1.00 0.00 N ATOM 1414 CA MET A1002 2.495 14.418 4.223 1.00 0.00 C ATOM 1415 C MET A1002 2.232 15.358 5.385 1.00 0.00 C ATOM 1416 O MET A1002 1.610 16.407 5.237 1.00 0.00 O ATOM 1417 CB MET A1002 1.367 13.378 4.147 1.00 0.00 C ATOM 1418 CG MET A1002 1.152 12.582 5.418 1.00 0.00 C ATOM 1419 SD MET A1002 -0.395 11.665 5.411 1.00 0.00 S ATOM 1420 CE MET A1002 -0.227 10.695 3.925 1.00 0.00 C ATOM 0 H MET A1002 3.743 12.768 4.510 1.00 0.00 H new ATOM 0 HA MET A1002 2.516 14.969 3.283 1.00 0.00 H new ATOM 0 HB2 MET A1002 0.438 13.888 3.892 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.584 12.686 3.333 1.00 0.00 H new ATOM 0 HG2 MET A1002 1.981 11.887 5.551 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.164 13.259 6.272 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.076 10.886 3.268 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.696 10.969 3.414 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.198 9.636 4.183 1.00 0.00 H new ATOM 1430 N LYS A1003 2.780 14.988 6.539 1.00 0.00 N ATOM 1431 CA LYS A1003 2.414 15.610 7.785 1.00 0.00 C ATOM 1432 C LYS A1003 2.817 17.072 7.783 1.00 0.00 C ATOM 1433 O LYS A1003 1.996 17.961 8.009 1.00 0.00 O ATOM 1434 CB LYS A1003 3.083 14.896 8.962 1.00 0.00 C ATOM 1435 CG LYS A1003 2.172 14.722 10.167 1.00 0.00 C ATOM 1436 CD LYS A1003 1.063 13.722 9.875 1.00 0.00 C ATOM 1437 CE LYS A1003 0.120 13.550 11.056 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.826 13.116 12.291 1.00 0.00 N ATOM 0 H LYS A1003 3.483 14.254 6.626 1.00 0.00 H new ATOM 0 HA LYS A1003 1.332 15.536 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.427 13.916 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A1003 3.966 15.459 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A1003 2.756 14.383 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A1003 1.737 15.683 10.440 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.496 14.054 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.503 12.758 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.393 14.492 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A1003 -0.645 12.816 10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 0.128 12.851 13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.430 12.297 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 1.414 13.896 12.647 1.00 0.00 H new ATOM 1452 N LEU A1004 4.084 17.314 7.485 1.00 0.00 N ATOM 1453 CA LEU A1004 4.608 18.673 7.477 1.00 0.00 C ATOM 1454 C LEU A1004 4.157 19.447 6.248 1.00 0.00 C ATOM 1455 O LEU A1004 4.259 20.672 6.222 1.00 0.00 O ATOM 1456 CB LEU A1004 6.137 18.704 7.581 1.00 0.00 C ATOM 1457 CG LEU A1004 6.715 18.340 8.956 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.642 16.842 9.205 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.149 18.835 9.084 1.00 0.00 C ATOM 0 H LEU A1004 4.765 16.593 7.247 1.00 0.00 H new ATOM 0 HA LEU A1004 4.197 19.159 8.362 1.00 0.00 H new ATOM 0 HB2 LEU A1004 6.548 18.018 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.481 19.703 7.315 1.00 0.00 H new ATOM 0 HG LEU A1004 6.109 18.835 9.715 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.059 16.616 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A1004 5.602 16.517 9.169 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.213 16.318 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.540 18.567 10.065 1.00 0.00 H new ATOM 0 HD22 LEU A1004 8.763 18.374 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.172 19.919 8.968 1.00 0.00 H new ATOM 1471 N ALA A1005 3.623 18.764 5.245 1.00 0.00 N ATOM 1472 CA ALA A1005 3.208 19.471 4.048 1.00 0.00 C ATOM 1473 C ALA A1005 2.010 20.369 4.357 1.00 0.00 C ATOM 1474 O ALA A1005 1.983 21.515 3.931 1.00 0.00 O ATOM 1475 CB ALA A1005 2.933 18.523 2.893 1.00 0.00 C ATOM 0 H ALA A1005 3.472 17.755 5.235 1.00 0.00 H new ATOM 0 HA ALA A1005 4.032 20.107 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.625 19.095 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.838 17.962 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.138 17.831 3.172 1.00 0.00 H new ATOM 1481 N GLN A1006 1.033 19.873 5.105 1.00 0.00 N ATOM 1482 CA GLN A1006 -0.079 20.728 5.534 1.00 0.00 C ATOM 1483 C GLN A1006 0.329 21.638 6.687 1.00 0.00 C ATOM 1484 O GLN A1006 -0.259 22.709 6.850 1.00 0.00 O ATOM 1485 CB GLN A1006 -1.348 19.928 5.862 1.00 0.00 C ATOM 1486 CG GLN A1006 -1.186 18.904 6.988 1.00 0.00 C ATOM 1487 CD GLN A1006 -1.278 19.488 8.395 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -0.573 19.042 9.300 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -2.193 20.421 8.619 1.00 0.00 N ATOM 0 H GLN A1006 0.982 18.906 5.424 1.00 0.00 H new ATOM 0 HA GLN A1006 -0.329 21.364 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -2.140 20.625 6.135 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.676 19.409 4.962 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.952 18.136 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A1006 -0.221 18.410 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -2.763 20.772 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -2.327 20.788 9.561 1.00 0.00 H new ATOM 1498 N GLN A1007 1.348 21.252 7.446 1.00 0.00 N ATOM 1499 CA GLN A1007 1.876 22.124 8.492 1.00 0.00 C ATOM 1500 C GLN A1007 2.216 23.502 7.924 1.00 0.00 C ATOM 1501 O GLN A1007 1.853 24.534 8.487 1.00 0.00 O ATOM 1502 CB GLN A1007 3.120 21.513 9.140 1.00 0.00 C ATOM 1503 CG GLN A1007 2.810 20.349 10.069 1.00 0.00 C ATOM 1504 CD GLN A1007 4.041 19.798 10.766 1.00 0.00 C ATOM 1505 OE1 GLN A1007 4.104 18.612 11.087 1.00 0.00 O ATOM 1506 NE2 GLN A1007 5.025 20.651 11.020 1.00 0.00 N ATOM 0 H GLN A1007 1.821 20.353 7.360 1.00 0.00 H new ATOM 0 HA GLN A1007 1.103 22.233 9.253 1.00 0.00 H new ATOM 0 HB2 GLN A1007 3.798 21.172 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A1007 3.645 22.286 9.702 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.090 20.673 10.820 1.00 0.00 H new ATOM 0 HG3 GLN A1007 2.337 19.551 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A1007 4.938 21.628 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.868 20.330 11.496 1.00 0.00 H new ATOM 1515 N TYR A1008 2.919 23.512 6.802 1.00 0.00 N ATOM 1516 CA TYR A1008 3.197 24.758 6.111 1.00 0.00 C ATOM 1517 C TYR A1008 2.647 24.701 4.696 1.00 0.00 C ATOM 1518 O TYR A1008 3.280 25.173 3.748 1.00 0.00 O ATOM 1519 CB TYR A1008 4.696 25.067 6.102 1.00 0.00 C ATOM 1520 CG TYR A1008 5.248 25.480 7.450 1.00 0.00 C ATOM 1521 CD1 TYR A1008 5.616 24.533 8.397 1.00 0.00 C ATOM 1522 CD2 TYR A1008 5.405 26.822 7.774 1.00 0.00 C ATOM 1523 CE1 TYR A1008 6.119 24.908 9.625 1.00 0.00 C ATOM 1524 CE2 TYR A1008 5.908 27.207 9.001 1.00 0.00 C ATOM 1525 CZ TYR A1008 6.264 26.247 9.922 1.00 0.00 C ATOM 1526 OH TYR A1008 6.765 26.622 11.148 1.00 0.00 O ATOM 0 H TYR A1008 3.303 22.679 6.355 1.00 0.00 H new ATOM 0 HA TYR A1008 2.701 25.566 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.236 24.186 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A1008 4.888 25.863 5.383 1.00 0.00 H new ATOM 0 HD1 TYR A1008 5.506 23.483 8.167 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.129 27.577 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A1008 6.398 24.158 10.350 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.022 28.255 9.237 1.00 0.00 H new ATOM 0 HH TYR A1008 6.805 27.600 11.200 1.00 0.00 H new ATOM 1536 N VAL A1009 1.465 24.086 4.571 1.00 0.00 N ATOM 1537 CA VAL A1009 0.703 24.049 3.320 1.00 0.00 C ATOM 1538 C VAL A1009 0.584 25.428 2.695 1.00 0.00 C ATOM 1539 O VAL A1009 0.349 25.552 1.494 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.715 23.491 3.554 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -1.523 24.443 4.424 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -1.418 23.220 2.232 1.00 0.00 C ATOM 0 H VAL A1009 1.008 23.597 5.341 1.00 0.00 H new ATOM 0 HA VAL A1009 1.250 23.395 2.640 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.629 22.541 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -2.522 24.035 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -1.027 24.566 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.600 25.411 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.416 22.827 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.496 24.147 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.846 22.491 1.658 1.00 0.00 H new ATOM 1552 N MET A1010 0.725 26.444 3.533 1.00 0.00 N ATOM 1553 CA MET A1010 0.769 27.831 3.088 1.00 0.00 C ATOM 1554 C MET A1010 1.524 27.967 1.765 1.00 0.00 C ATOM 1555 O MET A1010 1.013 28.568 0.823 1.00 0.00 O ATOM 1556 CB MET A1010 1.415 28.711 4.162 1.00 0.00 C ATOM 1557 CG MET A1010 0.563 28.878 5.413 1.00 0.00 C ATOM 1558 SD MET A1010 0.375 27.346 6.349 1.00 0.00 S ATOM 1559 CE MET A1010 -0.804 27.861 7.598 1.00 0.00 C ATOM 0 H MET A1010 0.812 26.331 4.543 1.00 0.00 H new ATOM 0 HA MET A1010 -0.256 28.165 2.924 1.00 0.00 H new ATOM 0 HB2 MET A1010 2.376 28.279 4.443 1.00 0.00 H new ATOM 0 HB3 MET A1010 1.619 29.694 3.739 1.00 0.00 H new ATOM 0 HG2 MET A1010 1.013 29.636 6.054 1.00 0.00 H new ATOM 0 HG3 MET A1010 -0.423 29.246 5.128 1.00 0.00 H new ATOM 0 HE1 MET A1010 -1.024 27.022 8.258 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.382 28.680 8.180 1.00 0.00 H new ATOM 0 HE3 MET A1010 -1.723 28.194 7.116 1.00 0.00 H new ATOM 1569 N THR A1011 2.729 27.386 1.685 1.00 0.00 N ATOM 1570 CA THR A1011 3.491 27.371 0.429 1.00 0.00 C ATOM 1571 C THR A1011 4.623 26.328 0.456 1.00 0.00 C ATOM 1572 O THR A1011 4.491 25.222 -0.096 1.00 0.00 O ATOM 1573 CB THR A1011 4.110 28.761 0.100 1.00 0.00 C ATOM 1574 OG1 THR A1011 3.096 29.777 0.040 1.00 0.00 O ATOM 1575 CG2 THR A1011 4.858 28.726 -1.226 1.00 0.00 C ATOM 0 H THR A1011 3.193 26.924 2.467 1.00 0.00 H new ATOM 0 HA THR A1011 2.771 27.107 -0.346 1.00 0.00 H new ATOM 0 HB THR A1011 4.810 28.999 0.901 1.00 0.00 H new ATOM 0 HG1 THR A1011 2.215 29.355 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A1011 5.280 29.710 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.661 27.991 -1.172 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.169 28.453 -2.025 1.00 0.00 H new ATOM 1583 N SER A1012 5.712 26.687 1.137 1.00 0.00 N ATOM 1584 CA SER A1012 6.987 25.975 1.051 1.00 0.00 C ATOM 1585 C SER A1012 6.852 24.467 1.256 1.00 0.00 C ATOM 1586 O SER A1012 6.921 23.690 0.291 1.00 0.00 O ATOM 1587 CB SER A1012 7.944 26.562 2.085 1.00 0.00 C ATOM 1588 OG SER A1012 7.923 27.979 2.034 1.00 0.00 O ATOM 0 H SER A1012 5.734 27.487 1.769 1.00 0.00 H new ATOM 0 HA SER A1012 7.373 26.109 0.041 1.00 0.00 H new ATOM 0 HB2 SER A1012 7.663 26.224 3.082 1.00 0.00 H new ATOM 0 HB3 SER A1012 8.955 26.201 1.899 1.00 0.00 H new ATOM 0 HG SER A1012 8.540 28.340 2.704 1.00 0.00 H new ATOM 1594 N LEU A1013 6.679 24.052 2.510 1.00 0.00 N ATOM 1595 CA LEU A1013 6.567 22.645 2.854 1.00 0.00 C ATOM 1596 C LEU A1013 5.623 21.884 1.969 1.00 0.00 C ATOM 1597 O LEU A1013 5.934 20.772 1.557 1.00 0.00 O ATOM 1598 CB LEU A1013 6.077 22.498 4.282 1.00 0.00 C ATOM 1599 CG LEU A1013 7.126 22.811 5.363 1.00 0.00 C ATOM 1600 CD1 LEU A1013 6.886 21.991 6.618 1.00 0.00 C ATOM 1601 CD2 LEU A1013 8.541 22.596 4.841 1.00 0.00 C ATOM 0 H LEU A1013 6.613 24.682 3.309 1.00 0.00 H new ATOM 0 HA LEU A1013 7.566 22.229 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.220 23.157 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A1013 5.722 21.477 4.426 1.00 0.00 H new ATOM 0 HG LEU A1013 7.020 23.864 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A1013 7.644 22.235 7.363 1.00 0.00 H new ATOM 0 HD12 LEU A1013 5.898 22.218 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A1013 6.944 20.930 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.258 22.826 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A1013 8.661 21.558 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A1013 8.717 23.251 3.988 1.00 0.00 H new ATOM 1613 N GLN A1014 4.483 22.483 1.670 1.00 0.00 N ATOM 1614 CA GLN A1014 3.407 21.737 1.072 1.00 0.00 C ATOM 1615 C GLN A1014 3.867 21.050 -0.206 1.00 0.00 C ATOM 1616 O GLN A1014 3.581 19.881 -0.432 1.00 0.00 O ATOM 1617 CB GLN A1014 2.207 22.640 0.804 1.00 0.00 C ATOM 1618 CG GLN A1014 1.219 22.030 -0.166 1.00 0.00 C ATOM 1619 CD GLN A1014 1.196 22.747 -1.508 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.187 22.749 -2.207 1.00 0.00 O ATOM 1621 NE2 GLN A1014 2.312 23.361 -1.877 1.00 0.00 N ATOM 0 H GLN A1014 4.287 23.471 1.832 1.00 0.00 H new ATOM 0 HA GLN A1014 3.098 20.964 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.701 22.853 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.557 23.593 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.470 20.981 -0.323 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.222 22.056 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.131 23.338 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.351 23.856 -2.768 1.00 0.00 H new ATOM 1630 N GLN A1015 4.615 21.789 -1.027 1.00 0.00 N ATOM 1631 CA GLN A1015 5.029 21.277 -2.328 1.00 0.00 C ATOM 1632 C GLN A1015 6.160 20.256 -2.203 1.00 0.00 C ATOM 1633 O GLN A1015 6.141 19.231 -2.877 1.00 0.00 O ATOM 1634 CB GLN A1015 5.416 22.426 -3.265 1.00 0.00 C ATOM 1635 CG GLN A1015 6.545 23.301 -2.756 1.00 0.00 C ATOM 1636 CD GLN A1015 6.686 24.582 -3.554 1.00 0.00 C ATOM 1637 OE1 GLN A1015 6.352 24.628 -4.738 1.00 0.00 O ATOM 1638 NE2 GLN A1015 7.191 25.625 -2.912 1.00 0.00 N ATOM 0 H GLN A1015 4.942 22.732 -0.815 1.00 0.00 H new ATOM 0 HA GLN A1015 4.177 20.756 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.703 22.009 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.539 23.050 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.368 23.546 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.481 22.744 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A1015 7.454 25.541 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A1015 7.317 26.512 -3.400 1.00 0.00 H new ATOM 1647 N GLU A1016 7.124 20.513 -1.323 1.00 0.00 N ATOM 1648 CA GLU A1016 8.244 19.586 -1.136 1.00 0.00 C ATOM 1649 C GLU A1016 7.771 18.306 -0.460 1.00 0.00 C ATOM 1650 O GLU A1016 7.973 17.199 -0.964 1.00 0.00 O ATOM 1651 CB GLU A1016 9.338 20.220 -0.276 1.00 0.00 C ATOM 1652 CG GLU A1016 10.488 19.267 0.029 1.00 0.00 C ATOM 1653 CD GLU A1016 11.512 19.856 0.974 1.00 0.00 C ATOM 1654 OE1 GLU A1016 11.955 21.001 0.742 1.00 0.00 O ATOM 1655 OE2 GLU A1016 11.891 19.173 1.948 1.00 0.00 O ATOM 0 H GLU A1016 7.156 21.344 -0.733 1.00 0.00 H new ATOM 0 HA GLU A1016 8.647 19.354 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.729 21.100 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A1016 8.901 20.564 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.087 18.351 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.980 18.990 -0.904 1.00 0.00 H new ATOM 1662 N TYR A1017 7.117 18.485 0.668 1.00 0.00 N ATOM 1663 CA TYR A1017 6.699 17.401 1.524 1.00 0.00 C ATOM 1664 C TYR A1017 5.690 16.479 0.872 1.00 0.00 C ATOM 1665 O TYR A1017 5.700 15.284 1.107 1.00 0.00 O ATOM 1666 CB TYR A1017 6.116 18.009 2.785 1.00 0.00 C ATOM 1667 CG TYR A1017 7.203 18.138 3.829 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.509 17.073 4.670 1.00 0.00 C ATOM 1669 CD2 TYR A1017 7.967 19.289 3.933 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.534 17.159 5.591 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.003 19.377 4.846 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.280 18.311 5.673 1.00 0.00 C ATOM 1673 OH TYR A1017 10.315 18.397 6.578 1.00 0.00 O ATOM 0 H TYR A1017 6.857 19.406 1.020 1.00 0.00 H new ATOM 0 HA TYR A1017 7.568 16.781 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.689 18.988 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.306 17.385 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A1017 6.934 16.162 4.601 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.751 20.131 3.292 1.00 0.00 H new ATOM 0 HE1 TYR A1017 8.749 16.326 6.244 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.593 20.279 4.910 1.00 0.00 H new ATOM 0 HH TYR A1017 10.740 19.277 6.506 1.00 0.00 H new ATOM 1683 N LYS A1018 4.807 17.066 0.059 1.00 0.00 N ATOM 1684 CA LYS A1018 3.737 16.330 -0.603 1.00 0.00 C ATOM 1685 C LYS A1018 4.247 15.611 -1.847 1.00 0.00 C ATOM 1686 O LYS A1018 3.702 14.585 -2.247 1.00 0.00 O ATOM 1687 CB LYS A1018 2.577 17.256 -0.974 1.00 0.00 C ATOM 1688 CG LYS A1018 1.397 16.528 -1.592 1.00 0.00 C ATOM 1689 CD LYS A1018 0.824 15.486 -0.644 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.210 14.615 -1.339 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.365 15.403 -1.835 1.00 0.00 N ATOM 0 H LYS A1018 4.817 18.063 -0.156 1.00 0.00 H new ATOM 0 HA LYS A1018 3.374 15.583 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.242 17.782 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.935 18.012 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.622 17.248 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.711 16.045 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.629 14.861 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.368 15.982 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A1018 0.258 14.095 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.564 13.851 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.985 14.791 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.899 15.782 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.022 16.189 -2.423 1.00 0.00 H new ATOM 1705 N LYS A1019 5.285 16.146 -2.466 1.00 0.00 N ATOM 1706 CA LYS A1019 5.896 15.474 -3.605 1.00 0.00 C ATOM 1707 C LYS A1019 6.675 14.280 -3.091 1.00 0.00 C ATOM 1708 O LYS A1019 6.501 13.156 -3.553 1.00 0.00 O ATOM 1709 CB LYS A1019 6.795 16.433 -4.387 1.00 0.00 C ATOM 1710 CG LYS A1019 6.098 17.094 -5.571 1.00 0.00 C ATOM 1711 CD LYS A1019 4.741 17.669 -5.195 1.00 0.00 C ATOM 1712 CE LYS A1019 4.055 18.299 -6.400 1.00 0.00 C ATOM 1713 NZ LYS A1019 2.655 18.706 -6.102 1.00 0.00 N ATOM 0 H LYS A1019 5.719 17.031 -2.206 1.00 0.00 H new ATOM 0 HA LYS A1019 5.124 15.134 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A1019 7.160 17.207 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.667 15.888 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.731 17.890 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.972 16.363 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.110 16.880 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.865 18.417 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A1019 4.623 19.171 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.057 17.590 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.228 19.129 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 2.104 17.871 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 2.653 19.402 -5.329 1.00 0.00 H new ATOM 1727 N GLN A1020 7.519 14.548 -2.116 1.00 0.00 N ATOM 1728 CA GLN A1020 8.098 13.529 -1.256 1.00 0.00 C ATOM 1729 C GLN A1020 7.013 12.611 -0.671 1.00 0.00 C ATOM 1730 O GLN A1020 7.236 11.408 -0.519 1.00 0.00 O ATOM 1731 CB GLN A1020 8.877 14.256 -0.159 1.00 0.00 C ATOM 1732 CG GLN A1020 9.408 13.389 0.959 1.00 0.00 C ATOM 1733 CD GLN A1020 10.266 14.187 1.924 1.00 0.00 C ATOM 1734 OE1 GLN A1020 11.171 13.652 2.556 1.00 0.00 O ATOM 1735 NE2 GLN A1020 9.996 15.481 2.031 1.00 0.00 N ATOM 0 H GLN A1020 7.829 15.494 -1.893 1.00 0.00 H new ATOM 0 HA GLN A1020 8.765 12.880 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A1020 9.717 14.775 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.230 15.019 0.275 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.575 12.939 1.499 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.995 12.572 0.539 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.235 15.890 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.549 16.068 2.656 1.00 0.00 H new ATOM 1744 N MET A1021 5.842 13.159 -0.377 1.00 0.00 N ATOM 1745 CA MET A1021 4.720 12.353 0.092 1.00 0.00 C ATOM 1746 C MET A1021 4.265 11.405 -0.995 1.00 0.00 C ATOM 1747 O MET A1021 4.167 10.209 -0.753 1.00 0.00 O ATOM 1748 CB MET A1021 3.558 13.238 0.558 1.00 0.00 C ATOM 1749 CG MET A1021 2.323 12.486 1.050 1.00 0.00 C ATOM 1750 SD MET A1021 1.287 11.880 -0.304 1.00 0.00 S ATOM 1751 CE MET A1021 -0.181 11.352 0.574 1.00 0.00 C ATOM 0 H MET A1021 5.643 14.156 -0.454 1.00 0.00 H new ATOM 0 HA MET A1021 5.057 11.768 0.948 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.914 13.884 1.361 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.264 13.887 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.637 11.644 1.666 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.732 13.144 1.687 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.041 11.396 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.047 10.329 0.925 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.351 12.009 1.427 1.00 0.00 H new ATOM 1761 N LEU A1022 4.024 11.910 -2.203 1.00 0.00 N ATOM 1762 CA LEU A1022 3.497 11.046 -3.242 1.00 0.00 C ATOM 1763 C LEU A1022 4.617 10.177 -3.809 1.00 0.00 C ATOM 1764 O LEU A1022 4.379 9.299 -4.623 1.00 0.00 O ATOM 1765 CB LEU A1022 2.768 11.840 -4.348 1.00 0.00 C ATOM 1766 CG LEU A1022 3.377 11.729 -5.754 1.00 0.00 C ATOM 1767 CD1 LEU A1022 2.320 11.960 -6.818 1.00 0.00 C ATOM 1768 CD2 LEU A1022 4.517 12.718 -5.934 1.00 0.00 C ATOM 0 H LEU A1022 4.180 12.880 -2.476 1.00 0.00 H new ATOM 0 HA LEU A1022 2.745 10.395 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.733 11.501 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.747 12.892 -4.062 1.00 0.00 H new ATOM 0 HG LEU A1022 3.773 10.719 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.774 11.877 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.532 11.214 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.894 12.956 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.930 12.618 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A1022 4.144 13.733 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A1022 5.296 12.513 -5.199 1.00 0.00 H new ATOM 1780 N THR A1023 5.846 10.446 -3.377 1.00 0.00 N ATOM 1781 CA THR A1023 6.983 9.607 -3.724 1.00 0.00 C ATOM 1782 C THR A1023 7.001 8.375 -2.827 1.00 0.00 C ATOM 1783 O THR A1023 7.186 7.259 -3.301 1.00 0.00 O ATOM 1784 CB THR A1023 8.323 10.366 -3.592 1.00 0.00 C ATOM 1785 OG1 THR A1023 8.318 11.518 -4.443 1.00 0.00 O ATOM 1786 CG2 THR A1023 9.501 9.472 -3.958 1.00 0.00 C ATOM 0 H THR A1023 6.078 11.243 -2.784 1.00 0.00 H new ATOM 0 HA THR A1023 6.872 9.311 -4.767 1.00 0.00 H new ATOM 0 HB THR A1023 8.433 10.675 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.867 12.259 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A1023 10.430 10.034 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.523 8.609 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A1023 9.394 9.133 -4.988 1.00 0.00 H new ATOM 1794 N ALA A1024 6.777 8.583 -1.531 1.00 0.00 N ATOM 1795 CA ALA A1024 6.668 7.477 -0.588 1.00 0.00 C ATOM 1796 C ALA A1024 5.292 6.843 -0.705 1.00 0.00 C ATOM 1797 O ALA A1024 5.076 5.716 -0.291 1.00 0.00 O ATOM 1798 CB ALA A1024 6.945 7.940 0.837 1.00 0.00 C ATOM 0 H ALA A1024 6.668 9.507 -1.112 1.00 0.00 H new ATOM 0 HA ALA A1024 7.421 6.728 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.856 7.094 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.953 8.350 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A1024 6.224 8.708 1.117 1.00 0.00 H new ATOM 1804 N ALA A1025 4.361 7.603 -1.250 1.00 0.00 N ATOM 1805 CA ALA A1025 3.053 7.093 -1.622 1.00 0.00 C ATOM 1806 C ALA A1025 3.112 6.453 -3.005 1.00 0.00 C ATOM 1807 O ALA A1025 2.289 5.607 -3.318 1.00 0.00 O ATOM 1808 CB ALA A1025 1.994 8.176 -1.554 1.00 0.00 C ATOM 0 H ALA A1025 4.490 8.595 -1.448 1.00 0.00 H new ATOM 0 HA ALA A1025 2.767 6.326 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A1025 1.028 7.759 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.936 8.565 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.256 8.984 -2.237 1.00 0.00 H new ATOM 1814 N HIS A1026 4.053 6.859 -3.846 1.00 0.00 N ATOM 1815 CA HIS A1026 4.354 6.077 -5.045 1.00 0.00 C ATOM 1816 C HIS A1026 5.166 4.851 -4.653 1.00 0.00 C ATOM 1817 O HIS A1026 5.116 3.842 -5.328 1.00 0.00 O ATOM 1818 CB HIS A1026 5.073 6.903 -6.122 1.00 0.00 C ATOM 1819 CG HIS A1026 5.323 6.164 -7.407 1.00 0.00 C ATOM 1820 ND1 HIS A1026 6.566 6.077 -7.997 1.00 0.00 N ATOM 1821 CD2 HIS A1026 4.476 5.494 -8.226 1.00 0.00 C ATOM 1822 CE1 HIS A1026 6.473 5.389 -9.118 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.218 5.022 -9.280 1.00 0.00 N ATOM 0 H HIS A1026 4.612 7.704 -3.729 1.00 0.00 H new ATOM 0 HA HIS A1026 3.411 5.761 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.480 7.792 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A1026 6.027 7.246 -5.723 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.415 5.357 -8.077 1.00 0.00 H new ATOM 0 HE1 HIS A1026 7.288 5.164 -9.790 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.856 4.476 -10.062 1.00 0.00 H new ATOM 1832 N ALA A1027 5.895 4.944 -3.555 1.00 0.00 N ATOM 1833 CA ALA A1027 6.418 3.778 -2.847 1.00 0.00 C ATOM 1834 C ALA A1027 5.283 2.966 -2.263 1.00 0.00 C ATOM 1835 O ALA A1027 5.291 1.747 -2.363 1.00 0.00 O ATOM 1836 CB ALA A1027 7.359 4.225 -1.740 1.00 0.00 C ATOM 0 H ALA A1027 6.145 5.834 -3.123 1.00 0.00 H new ATOM 0 HA ALA A1027 6.967 3.155 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.745 3.351 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A1027 8.188 4.785 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.819 4.860 -1.038 1.00 0.00 H new ATOM 1842 N LEU A1028 4.306 3.619 -1.669 1.00 0.00 N ATOM 1843 CA LEU A1028 3.110 2.921 -1.244 1.00 0.00 C ATOM 1844 C LEU A1028 2.445 2.271 -2.445 1.00 0.00 C ATOM 1845 O LEU A1028 2.073 1.109 -2.393 1.00 0.00 O ATOM 1846 CB LEU A1028 2.142 3.858 -0.523 1.00 0.00 C ATOM 1847 CG LEU A1028 2.608 4.334 0.846 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.448 4.962 1.584 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.183 3.168 1.627 1.00 0.00 C ATOM 0 H LEU A1028 4.315 4.620 -1.471 1.00 0.00 H new ATOM 0 HA LEU A1028 3.395 2.146 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.966 4.729 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.185 3.349 -0.408 1.00 0.00 H new ATOM 0 HG LEU A1028 3.390 5.084 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.782 5.303 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A1028 1.071 5.811 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.654 4.226 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.515 3.514 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.418 2.402 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A1028 4.030 2.749 1.084 1.00 0.00 H new ATOM 1861 N ALA A1029 2.319 3.018 -3.526 1.00 0.00 N ATOM 1862 CA ALA A1029 1.831 2.473 -4.779 1.00 0.00 C ATOM 1863 C ALA A1029 2.694 1.309 -5.244 1.00 0.00 C ATOM 1864 O ALA A1029 2.174 0.310 -5.723 1.00 0.00 O ATOM 1865 CB ALA A1029 1.789 3.558 -5.844 1.00 0.00 C ATOM 0 H ALA A1029 2.550 4.011 -3.561 1.00 0.00 H new ATOM 0 HA ALA A1029 0.820 2.099 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.421 3.136 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A1029 1.124 4.359 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.792 3.958 -5.996 1.00 0.00 H new ATOM 1871 N VAL A1030 4.009 1.431 -5.082 1.00 0.00 N ATOM 1872 CA VAL A1030 4.920 0.396 -5.540 1.00 0.00 C ATOM 1873 C VAL A1030 4.784 -0.855 -4.685 1.00 0.00 C ATOM 1874 O VAL A1030 4.584 -1.957 -5.190 1.00 0.00 O ATOM 1875 CB VAL A1030 6.390 0.882 -5.509 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.363 -0.292 -5.527 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.671 1.795 -6.692 1.00 0.00 C ATOM 0 H VAL A1030 4.461 2.231 -4.640 1.00 0.00 H new ATOM 0 HA VAL A1030 4.653 0.162 -6.570 1.00 0.00 H new ATOM 0 HB VAL A1030 6.535 1.436 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.386 0.083 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.188 -0.923 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.211 -0.877 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.708 2.128 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.496 1.252 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A1030 6.010 2.661 -6.649 1.00 0.00 H new ATOM 1887 N ASP A1031 4.869 -0.655 -3.374 1.00 0.00 N ATOM 1888 CA ASP A1031 4.903 -1.755 -2.428 1.00 0.00 C ATOM 1889 C ASP A1031 3.530 -2.385 -2.255 1.00 0.00 C ATOM 1890 O ASP A1031 3.425 -3.570 -1.982 1.00 0.00 O ATOM 1891 CB ASP A1031 5.461 -1.293 -1.080 1.00 0.00 C ATOM 1892 CG ASP A1031 6.944 -0.972 -1.155 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.690 -1.730 -1.813 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.377 0.025 -0.548 1.00 0.00 O ATOM 0 H ASP A1031 4.916 0.269 -2.944 1.00 0.00 H new ATOM 0 HA ASP A1031 5.567 -2.518 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.916 -0.410 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.296 -2.071 -0.334 1.00 0.00 H new ATOM 1899 N ALA A1032 2.477 -1.590 -2.400 1.00 0.00 N ATOM 1900 CA ALA A1032 1.115 -2.117 -2.387 1.00 0.00 C ATOM 1901 C ALA A1032 0.830 -2.870 -3.686 1.00 0.00 C ATOM 1902 O ALA A1032 0.138 -3.894 -3.686 1.00 0.00 O ATOM 1903 CB ALA A1032 0.093 -1.015 -2.164 1.00 0.00 C ATOM 0 H ALA A1032 2.538 -0.580 -2.528 1.00 0.00 H new ATOM 0 HA ALA A1032 1.029 -2.813 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.909 -1.444 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.284 -0.530 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.170 -0.280 -2.965 1.00 0.00 H new ATOM 1909 N LYS A1033 1.382 -2.386 -4.783 1.00 0.00 N ATOM 1910 CA LYS A1033 1.318 -3.102 -6.049 1.00 0.00 C ATOM 1911 C LYS A1033 2.069 -4.422 -5.911 1.00 0.00 C ATOM 1912 O LYS A1033 1.583 -5.492 -6.287 1.00 0.00 O ATOM 1913 CB LYS A1033 1.965 -2.250 -7.142 1.00 0.00 C ATOM 1914 CG LYS A1033 1.402 -2.477 -8.535 1.00 0.00 C ATOM 1915 CD LYS A1033 1.855 -1.374 -9.481 1.00 0.00 C ATOM 1916 CE LYS A1033 1.191 -1.479 -10.847 1.00 0.00 C ATOM 1917 NZ LYS A1033 1.513 -0.306 -11.704 1.00 0.00 N ATOM 0 H LYS A1033 1.882 -1.498 -4.825 1.00 0.00 H new ATOM 0 HA LYS A1033 0.280 -3.300 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.846 -1.198 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.035 -2.455 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A1033 1.730 -3.445 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A1033 0.313 -2.504 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A1033 1.626 -0.403 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A1033 2.937 -1.422 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A1033 1.519 -2.393 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A1033 0.111 -1.554 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 1.044 -0.411 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 1.178 0.564 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 2.542 -0.250 -11.843 1.00 0.00 H new ATOM 1931 N ASN A1034 3.253 -4.310 -5.325 1.00 0.00 N ATOM 1932 CA ASN A1034 4.166 -5.426 -5.124 1.00 0.00 C ATOM 1933 C ASN A1034 3.645 -6.429 -4.098 1.00 0.00 C ATOM 1934 O ASN A1034 3.587 -7.615 -4.386 1.00 0.00 O ATOM 1935 CB ASN A1034 5.532 -4.887 -4.681 1.00 0.00 C ATOM 1936 CG ASN A1034 6.580 -5.968 -4.498 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.216 -6.400 -5.457 1.00 0.00 O ATOM 1938 ND2 ASN A1034 6.794 -6.383 -3.259 1.00 0.00 N ATOM 0 H ASN A1034 3.612 -3.424 -4.969 1.00 0.00 H new ATOM 0 HA ASN A1034 4.256 -5.957 -6.072 1.00 0.00 H new ATOM 0 HB2 ASN A1034 5.887 -4.169 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.413 -4.345 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A1034 7.509 -7.087 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A1034 6.244 -5.999 -2.490 1.00 0.00 H new ATOM 1945 N LEU A1035 3.261 -5.960 -2.909 1.00 0.00 N ATOM 1946 CA LEU A1035 2.921 -6.867 -1.813 1.00 0.00 C ATOM 1947 C LEU A1035 1.766 -7.795 -2.202 1.00 0.00 C ATOM 1948 O LEU A1035 1.795 -8.978 -1.863 1.00 0.00 O ATOM 1949 CB LEU A1035 2.600 -6.125 -0.503 1.00 0.00 C ATOM 1950 CG LEU A1035 1.116 -6.073 -0.112 1.00 0.00 C ATOM 1951 CD1 LEU A1035 0.956 -5.848 1.377 1.00 0.00 C ATOM 1952 CD2 LEU A1035 0.407 -4.971 -0.867 1.00 0.00 C ATOM 0 H LEU A1035 3.178 -4.969 -2.683 1.00 0.00 H new ATOM 0 HA LEU A1035 3.809 -7.471 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.153 -6.600 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A1035 2.971 -5.103 -0.586 1.00 0.00 H new ATOM 0 HG LEU A1035 0.670 -7.033 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -0.104 -5.815 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A1035 1.433 -6.663 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A1035 1.424 -4.904 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A1035 -0.644 -4.949 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A1035 0.869 -4.012 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.484 -5.156 -1.938 1.00 0.00 H new ATOM 1964 N LEU A1036 0.749 -7.281 -2.894 1.00 0.00 N ATOM 1965 CA LEU A1036 -0.376 -8.149 -3.231 1.00 0.00 C ATOM 1966 C LEU A1036 0.084 -9.204 -4.245 1.00 0.00 C ATOM 1967 O LEU A1036 -0.170 -10.397 -4.082 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.582 -7.314 -3.716 1.00 0.00 C ATOM 1969 CG LEU A1036 -2.804 -8.074 -4.274 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -2.617 -8.397 -5.747 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -3.077 -9.345 -3.481 1.00 0.00 C ATOM 0 H LEU A1036 0.680 -6.316 -3.218 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.721 -8.681 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.921 -6.700 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.229 -6.633 -4.490 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.670 -7.420 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -3.492 -8.932 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -2.494 -7.472 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -1.731 -9.019 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -3.944 -9.856 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -2.208 -10.001 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.275 -9.089 -2.440 1.00 0.00 H new ATOM 1983 N ASP A1037 0.784 -8.725 -5.277 1.00 0.00 N ATOM 1984 CA ASP A1037 1.461 -9.574 -6.258 1.00 0.00 C ATOM 1985 C ASP A1037 2.260 -10.667 -5.553 1.00 0.00 C ATOM 1986 O ASP A1037 2.222 -11.834 -5.919 1.00 0.00 O ATOM 1987 CB ASP A1037 2.420 -8.702 -7.074 1.00 0.00 C ATOM 1988 CG ASP A1037 3.081 -9.448 -8.216 1.00 0.00 C ATOM 1989 OD1 ASP A1037 4.099 -10.122 -7.981 1.00 0.00 O ATOM 1990 OD2 ASP A1037 2.602 -9.331 -9.368 1.00 0.00 O ATOM 0 H ASP A1037 0.897 -7.727 -5.456 1.00 0.00 H new ATOM 0 HA ASP A1037 0.719 -10.042 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP A1037 1.873 -7.849 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.191 -8.305 -6.414 1.00 0.00 H new ATOM 1995 N VAL A1038 2.985 -10.229 -4.530 1.00 0.00 N ATOM 1996 CA VAL A1038 3.794 -11.084 -3.666 1.00 0.00 C ATOM 1997 C VAL A1038 2.986 -12.204 -3.018 1.00 0.00 C ATOM 1998 O VAL A1038 3.472 -13.318 -2.956 1.00 0.00 O ATOM 1999 CB VAL A1038 4.511 -10.245 -2.574 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.015 -11.111 -1.436 1.00 0.00 C ATOM 2001 CG2 VAL A1038 5.674 -9.477 -3.174 1.00 0.00 C ATOM 0 H VAL A1038 3.028 -9.243 -4.271 1.00 0.00 H new ATOM 0 HA VAL A1038 4.539 -11.553 -4.309 1.00 0.00 H new ATOM 0 HB VAL A1038 3.776 -9.547 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.510 -10.485 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.175 -11.628 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.723 -11.844 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.166 -8.894 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.387 -10.178 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.305 -8.807 -3.951 1.00 0.00 H new ATOM 2011 N ILE A1039 1.787 -11.938 -2.531 1.00 0.00 N ATOM 2012 CA ILE A1039 0.991 -12.997 -1.913 1.00 0.00 C ATOM 2013 C ILE A1039 0.282 -13.829 -2.955 1.00 0.00 C ATOM 2014 O ILE A1039 0.095 -15.035 -2.781 1.00 0.00 O ATOM 2015 CB ILE A1039 0.012 -12.468 -0.843 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.765 -12.311 0.467 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.194 -13.387 -0.657 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.630 -11.073 0.532 1.00 0.00 C ATOM 0 H ILE A1039 1.345 -11.019 -2.547 1.00 0.00 H new ATOM 0 HA ILE A1039 1.692 -13.644 -1.387 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.377 -11.506 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.047 -12.284 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.392 -13.189 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.853 -12.972 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.736 -13.471 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.854 -14.375 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.135 -11.032 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.373 -11.106 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.007 -10.187 0.410 1.00 0.00 H new ATOM 2030 N ASP A1040 -0.074 -13.206 -4.046 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.518 -13.945 -5.204 1.00 0.00 C ATOM 2032 C ASP A1040 0.589 -14.892 -5.665 1.00 0.00 C ATOM 2033 O ASP A1040 0.337 -16.056 -5.993 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.935 -12.974 -6.299 1.00 0.00 C ATOM 2035 CG ASP A1040 -2.421 -12.652 -6.239 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -3.234 -13.607 -6.207 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.785 -11.463 -6.266 1.00 0.00 O ATOM 0 H ASP A1040 -0.067 -12.192 -4.161 1.00 0.00 H new ATOM 0 HA ASP A1040 -1.387 -14.553 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -0.360 -12.053 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -0.695 -13.401 -7.273 1.00 0.00 H new ATOM 2042 N GLN A1041 1.821 -14.409 -5.645 1.00 0.00 N ATOM 2043 CA GLN A1041 2.977 -15.241 -5.925 1.00 0.00 C ATOM 2044 C GLN A1041 3.236 -16.200 -4.775 1.00 0.00 C ATOM 2045 O GLN A1041 3.601 -17.338 -4.994 1.00 0.00 O ATOM 2046 CB GLN A1041 4.214 -14.383 -6.156 1.00 0.00 C ATOM 2047 CG GLN A1041 4.316 -13.824 -7.564 1.00 0.00 C ATOM 2048 CD GLN A1041 5.623 -13.106 -7.838 1.00 0.00 C ATOM 2049 OE1 GLN A1041 6.133 -13.139 -8.957 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.158 -12.429 -6.840 1.00 0.00 N ATOM 0 H GLN A1041 2.046 -13.436 -5.436 1.00 0.00 H new ATOM 0 HA GLN A1041 2.766 -15.813 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.209 -13.556 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.103 -14.978 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A1041 4.202 -14.639 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A1041 3.489 -13.134 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.706 -12.425 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.024 -11.909 -6.983 1.00 0.00 H new ATOM 2059 N ALA A1042 3.024 -15.722 -3.557 1.00 0.00 N ATOM 2060 CA ALA A1042 3.237 -16.497 -2.341 1.00 0.00 C ATOM 2061 C ALA A1042 2.500 -17.802 -2.383 1.00 0.00 C ATOM 2062 O ALA A1042 3.093 -18.868 -2.254 1.00 0.00 O ATOM 2063 CB ALA A1042 2.722 -15.719 -1.148 1.00 0.00 C ATOM 0 H ALA A1042 2.695 -14.772 -3.382 1.00 0.00 H new ATOM 0 HA ALA A1042 4.307 -16.688 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A1042 2.882 -16.299 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.257 -14.772 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.657 -15.525 -1.272 1.00 0.00 H new ATOM 2069 N ARG A1043 1.208 -17.715 -2.599 1.00 0.00 N ATOM 2070 CA ARG A1043 0.365 -18.881 -2.570 1.00 0.00 C ATOM 2071 C ARG A1043 0.778 -19.828 -3.683 1.00 0.00 C ATOM 2072 O ARG A1043 0.783 -21.050 -3.520 1.00 0.00 O ATOM 2073 CB ARG A1043 -1.081 -18.463 -2.744 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.250 -17.491 -3.889 1.00 0.00 C ATOM 2075 CD ARG A1043 -2.240 -17.995 -4.922 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.598 -18.045 -4.379 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.632 -17.399 -4.914 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -4.474 -16.708 -6.035 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -5.825 -17.450 -4.331 1.00 0.00 N ATOM 0 H ARG A1043 0.718 -16.842 -2.798 1.00 0.00 H new ATOM 0 HA ARG A1043 0.472 -19.391 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.696 -19.345 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.441 -18.005 -1.822 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -1.588 -16.530 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.284 -17.321 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.220 -17.344 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -1.944 -18.989 -5.258 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.762 -18.607 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -3.560 -16.672 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.266 -16.213 -6.445 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.950 -17.985 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -6.616 -16.954 -4.743 1.00 0.00 H new ATOM 2093 N LEU A1044 1.147 -19.243 -4.815 1.00 0.00 N ATOM 2094 CA LEU A1044 1.603 -20.014 -5.940 1.00 0.00 C ATOM 2095 C LEU A1044 2.935 -20.680 -5.586 1.00 0.00 C ATOM 2096 O LEU A1044 3.112 -21.877 -5.766 1.00 0.00 O ATOM 2097 CB LEU A1044 1.735 -19.108 -7.179 1.00 0.00 C ATOM 2098 CG LEU A1044 2.132 -19.788 -8.501 1.00 0.00 C ATOM 2099 CD1 LEU A1044 3.642 -19.941 -8.615 1.00 0.00 C ATOM 2100 CD2 LEU A1044 1.452 -21.143 -8.634 1.00 0.00 C ATOM 0 H LEU A1044 1.136 -18.235 -4.968 1.00 0.00 H new ATOM 0 HA LEU A1044 0.880 -20.794 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A1044 0.782 -18.601 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.474 -18.338 -6.959 1.00 0.00 H new ATOM 0 HG LEU A1044 1.796 -19.146 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.888 -20.425 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A1044 4.111 -18.958 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A1044 4.009 -20.550 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.746 -21.607 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.752 -21.784 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A1044 0.370 -21.010 -8.617 1.00 0.00 H new