USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 Single : A 926 THR OG1 : rot -100:sc=-0.00908 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -2.13 F(o=-4.1!,f=-2.1) USER MOD Single : A 932 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.48) USER MOD Single : A 933 MET CE :methyl -170:sc= -0.7 (180deg=-0.831) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 9:sc= 0.224 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 150:sc= -0.749 USER MOD Single : A 950 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 955 SER OG : rot -96:sc= -0.165 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -7.13! C(o=-7.1!,f=-7!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot -67:sc= -0.0244 USER MOD Single : A 971 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 976 SER OG : rot 170:sc= 0.305 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 994 SER OG : rot 180:sc= 0 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 LYS NZ :NH3+ -159:sc= -0.147 (180deg=-0.758) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.705 13.080 7.802 1.00 0.00 N ATOM 149 CA PRO A 925 -3.363 13.074 6.377 1.00 0.00 C ATOM 150 C PRO A 925 -3.225 11.661 5.820 1.00 0.00 C ATOM 151 O PRO A 925 -3.238 10.683 6.568 1.00 0.00 O ATOM 152 CB PRO A 925 -2.016 13.800 6.332 1.00 0.00 C ATOM 153 CG PRO A 925 -1.429 13.593 7.686 1.00 0.00 C ATOM 154 CD PRO A 925 -2.591 13.557 8.639 1.00 0.00 C ATOM 0 HA PRO A 925 -4.137 13.545 5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.371 13.391 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.145 14.860 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.861 12.663 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.740 14.399 7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.402 12.886 9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.797 14.542 9.059 1.00 0.00 H new ATOM 162 N THR A 926 -3.093 11.560 4.501 1.00 0.00 N ATOM 163 CA THR A 926 -2.953 10.267 3.843 1.00 0.00 C ATOM 164 C THR A 926 -1.486 9.886 3.685 1.00 0.00 C ATOM 165 O THR A 926 -0.665 10.702 3.267 1.00 0.00 O ATOM 166 CB THR A 926 -3.624 10.266 2.457 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.997 10.656 2.577 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.538 8.890 1.815 1.00 0.00 C ATOM 0 H THR A 926 -3.080 12.359 3.867 1.00 0.00 H new ATOM 0 HA THR A 926 -3.449 9.534 4.479 1.00 0.00 H new ATOM 0 HB THR A 926 -3.098 10.979 1.823 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.566 9.859 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.019 8.914 0.837 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.492 8.608 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.042 8.161 2.449 1.00 0.00 H new ATOM 176 N ILE A 927 -1.163 8.641 4.021 1.00 0.00 N ATOM 177 CA ILE A 927 0.206 8.153 3.914 1.00 0.00 C ATOM 178 C ILE A 927 0.386 7.290 2.670 1.00 0.00 C ATOM 179 O ILE A 927 -0.378 6.352 2.436 1.00 0.00 O ATOM 180 CB ILE A 927 0.611 7.335 5.155 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.333 8.132 6.431 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.079 6.945 5.077 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.168 9.387 6.553 1.00 0.00 C ATOM 0 H ILE A 927 -1.831 7.953 4.369 1.00 0.00 H new ATOM 0 HA ILE A 927 0.849 9.030 3.841 1.00 0.00 H new ATOM 0 HB ILE A 927 0.014 6.423 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.722 8.403 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.520 7.495 7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.350 6.368 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.249 6.343 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.692 7.845 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 927 0.918 9.901 7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.225 9.122 6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 927 0.963 10.044 5.708 1.00 0.00 H new ATOM 195 N ILE A 928 1.401 7.612 1.875 1.00 0.00 N ATOM 196 CA ILE A 928 1.683 6.864 0.656 1.00 0.00 C ATOM 197 C ILE A 928 2.899 5.960 0.834 1.00 0.00 C ATOM 198 O ILE A 928 3.855 6.315 1.524 1.00 0.00 O ATOM 199 CB ILE A 928 1.928 7.805 -0.538 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.665 8.612 -0.847 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.367 7.010 -1.758 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.823 9.557 -2.018 1.00 0.00 C ATOM 0 H ILE A 928 2.041 8.386 2.053 1.00 0.00 H new ATOM 0 HA ILE A 928 0.805 6.252 0.452 1.00 0.00 H new ATOM 0 HB ILE A 928 2.726 8.500 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.155 7.924 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.385 9.185 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.536 7.689 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.290 6.476 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.590 6.294 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.111 10.096 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.621 10.269 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 928 1.073 8.988 -2.913 1.00 0.00 H new ATOM 214 N LYS A 929 2.856 4.790 0.206 1.00 0.00 N ATOM 215 CA LYS A 929 3.955 3.835 0.291 1.00 0.00 C ATOM 216 C LYS A 929 4.665 3.702 -1.052 1.00 0.00 C ATOM 217 O LYS A 929 4.030 3.470 -2.081 1.00 0.00 O ATOM 218 CB LYS A 929 3.435 2.469 0.743 1.00 0.00 C ATOM 219 CG LYS A 929 4.420 1.336 0.509 1.00 0.00 C ATOM 220 CD LYS A 929 4.231 0.215 1.518 1.00 0.00 C ATOM 221 CE LYS A 929 2.999 -0.618 1.201 1.00 0.00 C ATOM 222 NZ LYS A 929 2.710 -1.610 2.274 1.00 0.00 N ATOM 0 H LYS A 929 2.072 4.480 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 929 4.671 4.206 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 929 3.192 2.515 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 929 2.508 2.249 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.292 0.944 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 929 5.438 1.719 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 929 5.113 -0.425 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 929 4.139 0.637 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 929 2.139 0.039 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 929 3.146 -1.139 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 1.863 -2.158 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 3.520 -2.253 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 2.544 -1.112 3.172 1.00 0.00 H new ATOM 236 N VAL A 930 5.986 3.848 -1.035 1.00 0.00 N ATOM 237 CA VAL A 930 6.783 3.741 -2.251 1.00 0.00 C ATOM 238 C VAL A 930 7.659 2.493 -2.226 1.00 0.00 C ATOM 239 O VAL A 930 8.397 2.261 -1.269 1.00 0.00 O ATOM 240 CB VAL A 930 7.678 4.979 -2.447 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.318 4.963 -3.826 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.874 6.254 -2.239 1.00 0.00 C ATOM 0 H VAL A 930 6.527 4.041 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 930 6.082 3.673 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 930 8.474 4.952 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.946 5.845 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.928 4.066 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.539 4.966 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.521 7.119 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 930 6.056 6.290 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.468 6.267 -1.228 1.00 0.00 H new ATOM 252 N GLN A 931 7.574 1.695 -3.286 1.00 0.00 N ATOM 253 CA GLN A 931 8.359 0.471 -3.385 1.00 0.00 C ATOM 254 C GLN A 931 8.923 0.298 -4.791 1.00 0.00 C ATOM 255 O GLN A 931 8.485 0.959 -5.731 1.00 0.00 O ATOM 256 CB GLN A 931 7.503 -0.741 -3.013 1.00 0.00 C ATOM 257 CG GLN A 931 8.201 -1.717 -2.080 1.00 0.00 C ATOM 258 CD GLN A 931 7.643 -1.678 -0.671 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.203 -0.502 -0.240 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 7.607 -2.695 0.023 1.00 0.00 N flip ATOM 0 H GLN A 931 6.969 1.875 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 931 9.192 0.546 -2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.584 -0.395 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.215 -1.265 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.103 -2.727 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.266 -1.488 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.956 -3.578 -0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 931 7.228 -2.654 0.969 1.00 0.00 H new ATOM 269 N ASN A 932 9.898 -0.595 -4.927 1.00 0.00 N ATOM 270 CA ASN A 932 10.523 -0.853 -6.219 1.00 0.00 C ATOM 271 C ASN A 932 11.419 0.310 -6.633 1.00 0.00 C ATOM 272 O ASN A 932 11.384 0.756 -7.779 1.00 0.00 O ATOM 273 CB ASN A 932 9.454 -1.094 -7.287 1.00 0.00 C ATOM 274 CG ASN A 932 9.951 -1.982 -8.412 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.327 -2.991 -8.742 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.078 -1.609 -9.006 1.00 0.00 N ATOM 0 H ASN A 932 10.272 -1.152 -4.159 1.00 0.00 H new ATOM 0 HA ASN A 932 11.140 -1.747 -6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.580 -1.552 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.133 -0.137 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.461 -2.167 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.561 -0.765 -8.699 1.00 0.00 H new ATOM 283 N MET A 933 12.221 0.797 -5.691 1.00 0.00 N ATOM 284 CA MET A 933 13.127 1.908 -5.959 1.00 0.00 C ATOM 285 C MET A 933 14.581 1.464 -5.837 1.00 0.00 C ATOM 286 O MET A 933 14.974 0.798 -4.879 1.00 0.00 O ATOM 287 CB MET A 933 12.852 3.062 -4.994 1.00 0.00 C ATOM 288 CG MET A 933 11.834 4.063 -5.518 1.00 0.00 C ATOM 289 SD MET A 933 11.806 5.591 -4.561 1.00 0.00 S ATOM 290 CE MET A 933 11.808 4.944 -2.891 1.00 0.00 C ATOM 0 H MET A 933 12.262 0.440 -4.736 1.00 0.00 H new ATOM 0 HA MET A 933 12.953 2.248 -6.980 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.496 2.656 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.787 3.582 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.061 4.295 -6.559 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.843 3.610 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.614 5.753 -2.187 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.032 4.185 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.779 4.500 -2.674 1.00 0.00 H new ATOM 300 N PRO A 934 15.401 1.840 -6.830 1.00 0.00 N ATOM 301 CA PRO A 934 16.824 1.492 -6.857 1.00 0.00 C ATOM 302 C PRO A 934 17.622 2.230 -5.787 1.00 0.00 C ATOM 303 O PRO A 934 17.108 3.136 -5.130 1.00 0.00 O ATOM 304 CB PRO A 934 17.271 1.930 -8.254 1.00 0.00 C ATOM 305 CG PRO A 934 16.313 3.004 -8.638 1.00 0.00 C ATOM 306 CD PRO A 934 15.001 2.635 -8.003 1.00 0.00 C ATOM 0 HA PRO A 934 16.988 0.434 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.297 2.299 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.238 1.099 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.656 3.977 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.217 3.072 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.432 3.519 -7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.373 2.060 -8.683 1.00 0.00 H new ATOM 314 N PHE A 935 18.880 1.838 -5.618 1.00 0.00 N ATOM 315 CA PHE A 935 19.749 2.463 -4.627 1.00 0.00 C ATOM 316 C PHE A 935 20.051 3.911 -5.004 1.00 0.00 C ATOM 317 O PHE A 935 20.163 4.780 -4.139 1.00 0.00 O ATOM 318 CB PHE A 935 21.054 1.676 -4.493 1.00 0.00 C ATOM 319 CG PHE A 935 20.850 0.193 -4.373 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.045 -0.330 -3.374 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.463 -0.678 -5.259 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.857 -1.694 -3.260 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.278 -2.044 -5.151 1.00 0.00 C ATOM 324 CZ PHE A 935 20.473 -2.552 -4.151 1.00 0.00 C ATOM 0 H PHE A 935 19.321 1.091 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 935 19.229 2.456 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.682 1.879 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.595 2.032 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.559 0.336 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.093 -0.285 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.229 -2.089 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.762 -2.712 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.325 -3.618 -4.065 1.00 0.00 H new ATOM 334 N THR A 936 20.182 4.163 -6.303 1.00 0.00 N ATOM 335 CA THR A 936 20.472 5.503 -6.795 1.00 0.00 C ATOM 336 C THR A 936 19.472 6.517 -6.253 1.00 0.00 C ATOM 337 O THR A 936 19.800 7.689 -6.067 1.00 0.00 O ATOM 338 CB THR A 936 20.452 5.553 -8.335 1.00 0.00 C ATOM 339 OG1 THR A 936 19.164 5.159 -8.821 1.00 0.00 O ATOM 340 CG2 THR A 936 21.521 4.641 -8.919 1.00 0.00 C ATOM 0 H THR A 936 20.092 3.456 -7.033 1.00 0.00 H new ATOM 0 HA THR A 936 21.471 5.759 -6.443 1.00 0.00 H new ATOM 0 HB THR A 936 20.660 6.577 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 936 19.159 5.195 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.488 4.692 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.503 4.961 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.339 3.615 -8.599 1.00 0.00 H new ATOM 348 N VAL A 937 18.250 6.059 -5.999 1.00 0.00 N ATOM 349 CA VAL A 937 17.202 6.927 -5.476 1.00 0.00 C ATOM 350 C VAL A 937 17.694 7.716 -4.268 1.00 0.00 C ATOM 351 O VAL A 937 18.463 7.208 -3.453 1.00 0.00 O ATOM 352 CB VAL A 937 15.954 6.119 -5.073 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.926 7.020 -4.407 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.357 5.421 -6.286 1.00 0.00 C ATOM 0 H VAL A 937 17.962 5.092 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 937 16.936 7.619 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 937 16.253 5.356 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.052 6.431 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.360 7.469 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.628 7.807 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.476 4.855 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.072 6.165 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.094 4.743 -6.715 1.00 0.00 H new ATOM 364 N SER A 938 17.245 8.963 -4.160 1.00 0.00 N ATOM 365 CA SER A 938 17.642 9.825 -3.053 1.00 0.00 C ATOM 366 C SER A 938 16.518 10.789 -2.685 1.00 0.00 C ATOM 367 O SER A 938 15.519 10.896 -3.397 1.00 0.00 O ATOM 368 CB SER A 938 18.904 10.609 -3.417 1.00 0.00 C ATOM 369 OG SER A 938 20.055 9.786 -3.345 1.00 0.00 O ATOM 0 H SER A 938 16.606 9.398 -4.826 1.00 0.00 H new ATOM 0 HA SER A 938 17.852 9.193 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.806 11.015 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.017 11.457 -2.741 1.00 0.00 H new ATOM 0 HG SER A 938 19.783 8.853 -3.218 1.00 0.00 H new ATOM 375 N ILE A 939 16.690 11.490 -1.569 1.00 0.00 N ATOM 376 CA ILE A 939 15.692 12.446 -1.107 1.00 0.00 C ATOM 377 C ILE A 939 15.410 13.503 -2.170 1.00 0.00 C ATOM 378 O ILE A 939 14.259 13.874 -2.401 1.00 0.00 O ATOM 379 CB ILE A 939 16.141 13.145 0.190 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.412 12.112 1.285 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.086 14.143 0.645 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.270 12.638 2.413 1.00 0.00 C ATOM 0 H ILE A 939 17.511 11.414 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 939 14.781 11.881 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 939 17.066 13.687 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.461 11.769 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.901 11.244 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.417 14.629 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 939 14.937 14.894 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.147 13.621 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.421 11.852 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.235 12.955 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.773 13.487 2.882 1.00 0.00 H new ATOM 394 N ASP A 940 16.468 13.983 -2.814 1.00 0.00 N ATOM 395 CA ASP A 940 16.334 14.996 -3.855 1.00 0.00 C ATOM 396 C ASP A 940 15.530 14.459 -5.035 1.00 0.00 C ATOM 397 O ASP A 940 14.632 15.131 -5.542 1.00 0.00 O ATOM 398 CB ASP A 940 17.714 15.455 -4.330 1.00 0.00 C ATOM 399 CG ASP A 940 18.649 15.764 -3.177 1.00 0.00 C ATOM 400 OD1 ASP A 940 19.240 14.814 -2.622 1.00 0.00 O ATOM 401 OD2 ASP A 940 18.790 16.955 -2.830 1.00 0.00 O ATOM 0 H ASP A 940 17.427 13.687 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 940 15.801 15.848 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.157 14.680 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.604 16.343 -4.953 1.00 0.00 H new ATOM 406 N GLU A 941 15.859 13.246 -5.466 1.00 0.00 N ATOM 407 CA GLU A 941 15.167 12.621 -6.588 1.00 0.00 C ATOM 408 C GLU A 941 13.688 12.420 -6.271 1.00 0.00 C ATOM 409 O GLU A 941 12.821 12.698 -7.101 1.00 0.00 O ATOM 410 CB GLU A 941 15.814 11.277 -6.930 1.00 0.00 C ATOM 411 CG GLU A 941 17.090 11.406 -7.744 1.00 0.00 C ATOM 412 CD GLU A 941 16.822 11.709 -9.205 1.00 0.00 C ATOM 413 OE1 GLU A 941 15.884 12.482 -9.489 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.552 11.172 -10.065 1.00 0.00 O ATOM 0 H GLU A 941 16.599 12.676 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 941 15.249 13.285 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 941 16.035 10.744 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.099 10.670 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.708 12.197 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.660 10.480 -7.668 1.00 0.00 H new ATOM 421 N ILE A 942 13.407 11.935 -5.066 1.00 0.00 N ATOM 422 CA ILE A 942 12.034 11.698 -4.640 1.00 0.00 C ATOM 423 C ILE A 942 11.229 12.992 -4.633 1.00 0.00 C ATOM 424 O ILE A 942 10.129 13.055 -5.184 1.00 0.00 O ATOM 425 CB ILE A 942 11.982 11.066 -3.236 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.480 9.620 -3.284 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.567 11.127 -2.680 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.131 9.162 -1.998 1.00 0.00 C ATOM 0 H ILE A 942 14.112 11.699 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 942 11.596 11.005 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 942 12.636 11.633 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.641 8.963 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.195 9.517 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.546 10.677 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.247 12.167 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 942 9.893 10.581 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.460 8.128 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 942 13.991 9.795 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.412 9.232 -1.181 1.00 0.00 H new ATOM 440 N LEU A 943 11.784 14.024 -4.007 1.00 0.00 N ATOM 441 CA LEU A 943 11.118 15.320 -3.930 1.00 0.00 C ATOM 442 C LEU A 943 10.779 15.842 -5.322 1.00 0.00 C ATOM 443 O LEU A 943 9.693 16.377 -5.548 1.00 0.00 O ATOM 444 CB LEU A 943 12.005 16.328 -3.197 1.00 0.00 C ATOM 445 CG LEU A 943 11.862 16.366 -1.675 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.939 17.245 -1.059 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.478 16.861 -1.281 1.00 0.00 C ATOM 0 H LEU A 943 12.693 13.989 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 943 10.189 15.191 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.045 16.110 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.789 17.323 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 943 11.986 15.353 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.821 17.260 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.922 16.847 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.847 18.259 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.395 16.881 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.325 17.865 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.722 16.191 -1.690 1.00 0.00 H new ATOM 459 N ASP A 944 11.714 15.682 -6.252 1.00 0.00 N ATOM 460 CA ASP A 944 11.513 16.134 -7.624 1.00 0.00 C ATOM 461 C ASP A 944 10.508 15.244 -8.348 1.00 0.00 C ATOM 462 O ASP A 944 9.793 15.697 -9.241 1.00 0.00 O ATOM 463 CB ASP A 944 12.843 16.143 -8.380 1.00 0.00 C ATOM 464 CG ASP A 944 12.851 17.137 -9.524 1.00 0.00 C ATOM 465 OD1 ASP A 944 13.217 18.308 -9.291 1.00 0.00 O ATOM 466 OD2 ASP A 944 12.492 16.744 -10.654 1.00 0.00 O ATOM 0 H ASP A 944 12.619 15.243 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 944 11.115 17.148 -7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.650 16.384 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.044 15.145 -8.768 1.00 0.00 H new ATOM 471 N PHE A 945 10.461 13.974 -7.957 1.00 0.00 N ATOM 472 CA PHE A 945 9.545 13.019 -8.570 1.00 0.00 C ATOM 473 C PHE A 945 8.095 13.382 -8.262 1.00 0.00 C ATOM 474 O PHE A 945 7.205 13.185 -9.090 1.00 0.00 O ATOM 475 CB PHE A 945 9.845 11.603 -8.075 1.00 0.00 C ATOM 476 CG PHE A 945 8.744 10.622 -8.361 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.535 10.702 -7.689 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.917 9.621 -9.303 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.521 9.801 -7.949 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.906 8.716 -9.568 1.00 0.00 C ATOM 481 CZ PHE A 945 6.706 8.807 -8.891 1.00 0.00 C ATOM 0 H PHE A 945 11.046 13.583 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 945 9.689 13.057 -9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.765 11.251 -8.542 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.024 11.633 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.384 11.478 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.853 9.547 -9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.584 9.873 -7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.055 7.939 -10.303 1.00 0.00 H new ATOM 0 HZ PHE A 945 5.914 8.103 -9.097 1.00 0.00 H new ATOM 491 N PHE A 946 7.865 13.911 -7.065 1.00 0.00 N ATOM 492 CA PHE A 946 6.524 14.299 -6.646 1.00 0.00 C ATOM 493 C PHE A 946 6.242 15.755 -7.006 1.00 0.00 C ATOM 494 O PHE A 946 5.226 16.321 -6.600 1.00 0.00 O ATOM 495 CB PHE A 946 6.358 14.094 -5.139 1.00 0.00 C ATOM 496 CG PHE A 946 6.023 12.679 -4.761 1.00 0.00 C ATOM 497 CD1 PHE A 946 7.028 11.759 -4.508 1.00 0.00 C ATOM 498 CD2 PHE A 946 4.703 12.270 -4.657 1.00 0.00 C ATOM 499 CE1 PHE A 946 6.722 10.457 -4.160 1.00 0.00 C ATOM 500 CE2 PHE A 946 4.391 10.969 -4.310 1.00 0.00 C ATOM 501 CZ PHE A 946 5.402 10.061 -4.060 1.00 0.00 C ATOM 0 H PHE A 946 8.590 14.081 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 946 5.809 13.667 -7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.280 14.388 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.572 14.755 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 946 8.062 12.063 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 946 3.909 12.976 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 946 7.514 9.749 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 946 3.358 10.663 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.161 9.044 -3.787 1.00 0.00 H new ATOM 511 N TYR A 947 7.148 16.356 -7.769 1.00 0.00 N ATOM 512 CA TYR A 947 6.999 17.746 -8.182 1.00 0.00 C ATOM 513 C TYR A 947 5.557 18.045 -8.580 1.00 0.00 C ATOM 514 O TYR A 947 4.847 17.175 -9.083 1.00 0.00 O ATOM 515 CB TYR A 947 7.937 18.057 -9.349 1.00 0.00 C ATOM 516 CG TYR A 947 8.014 19.528 -9.690 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.667 20.422 -8.851 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.432 20.024 -10.850 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.739 21.767 -9.158 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.500 21.367 -11.165 1.00 0.00 C ATOM 521 CZ TYR A 947 8.154 22.235 -10.316 1.00 0.00 C ATOM 522 OH TYR A 947 8.223 23.574 -10.626 1.00 0.00 O ATOM 0 H TYR A 947 7.994 15.902 -8.114 1.00 0.00 H new ATOM 0 HA TYR A 947 7.262 18.380 -7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.937 17.696 -9.107 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.604 17.506 -10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.126 20.059 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.918 19.348 -11.517 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.251 22.449 -8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.043 21.736 -12.072 1.00 0.00 H new ATOM 0 HH TYR A 947 7.762 23.737 -11.475 1.00 0.00 H new ATOM 532 N GLY A 948 5.132 19.284 -8.353 1.00 0.00 N ATOM 533 CA GLY A 948 3.777 19.678 -8.693 1.00 0.00 C ATOM 534 C GLY A 948 2.831 19.582 -7.513 1.00 0.00 C ATOM 535 O GLY A 948 2.009 20.472 -7.294 1.00 0.00 O ATOM 0 H GLY A 948 5.702 20.022 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.783 20.702 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.410 19.045 -9.501 1.00 0.00 H new ATOM 539 N TYR A 949 2.945 18.499 -6.752 1.00 0.00 N ATOM 540 CA TYR A 949 2.090 18.287 -5.591 1.00 0.00 C ATOM 541 C TYR A 949 2.737 18.849 -4.328 1.00 0.00 C ATOM 542 O TYR A 949 3.958 18.820 -4.180 1.00 0.00 O ATOM 543 CB TYR A 949 1.800 16.796 -5.409 1.00 0.00 C ATOM 544 CG TYR A 949 1.316 16.116 -6.669 1.00 0.00 C ATOM 545 CD1 TYR A 949 0.008 16.277 -7.111 1.00 0.00 C ATOM 546 CD2 TYR A 949 2.165 15.311 -7.418 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.439 15.657 -8.262 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.727 14.687 -8.570 1.00 0.00 C ATOM 549 CZ TYR A 949 0.425 14.863 -8.988 1.00 0.00 C ATOM 550 OH TYR A 949 -0.016 14.243 -10.135 1.00 0.00 O ATOM 0 H TYR A 949 3.622 17.754 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 949 1.151 18.814 -5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.705 16.298 -5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.049 16.673 -4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.671 16.898 -6.545 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.186 15.171 -7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.458 15.793 -8.591 1.00 0.00 H new ATOM 0 HE2 TYR A 949 2.401 14.065 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 949 0.732 14.139 -10.759 1.00 0.00 H new ATOM 560 N GLN A 950 1.909 19.358 -3.422 1.00 0.00 N ATOM 561 CA GLN A 950 2.400 19.926 -2.172 1.00 0.00 C ATOM 562 C GLN A 950 2.651 18.832 -1.139 1.00 0.00 C ATOM 563 O GLN A 950 1.785 18.529 -0.318 1.00 0.00 O ATOM 564 CB GLN A 950 1.399 20.944 -1.623 1.00 0.00 C ATOM 565 CG GLN A 950 1.382 22.256 -2.390 1.00 0.00 C ATOM 566 CD GLN A 950 0.792 23.396 -1.584 1.00 0.00 C ATOM 567 OE1 GLN A 950 1.345 23.800 -0.562 1.00 0.00 O ATOM 568 NE2 GLN A 950 -0.338 23.922 -2.042 1.00 0.00 N ATOM 0 H GLN A 950 0.895 19.389 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 950 3.345 20.430 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.401 20.507 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.636 21.147 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 950 2.399 22.513 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.807 22.129 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -0.762 23.556 -2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -0.782 24.692 -1.542 1.00 0.00 H new ATOM 577 N VAL A 951 3.841 18.243 -1.186 1.00 0.00 N ATOM 578 CA VAL A 951 4.206 17.183 -0.253 1.00 0.00 C ATOM 579 C VAL A 951 4.589 17.756 1.107 1.00 0.00 C ATOM 580 O VAL A 951 5.457 18.624 1.204 1.00 0.00 O ATOM 581 CB VAL A 951 5.379 16.341 -0.791 1.00 0.00 C ATOM 582 CG1 VAL A 951 5.740 15.238 0.192 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.035 15.760 -2.154 1.00 0.00 C ATOM 0 H VAL A 951 4.569 18.481 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 951 3.330 16.544 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 951 6.247 16.990 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.570 14.654 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.031 15.681 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 951 4.878 14.588 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.874 15.168 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.154 15.125 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.830 16.570 -2.854 1.00 0.00 H new ATOM 593 N ILE A 952 3.935 17.265 2.155 1.00 0.00 N ATOM 594 CA ILE A 952 4.208 17.727 3.510 1.00 0.00 C ATOM 595 C ILE A 952 5.702 17.682 3.816 1.00 0.00 C ATOM 596 O ILE A 952 6.376 16.675 3.595 1.00 0.00 O ATOM 597 CB ILE A 952 3.456 16.882 4.555 1.00 0.00 C ATOM 598 CG1 ILE A 952 1.962 17.212 4.530 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.033 17.119 5.942 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.109 16.208 5.273 1.00 0.00 C ATOM 0 H ILE A 952 3.213 16.548 2.091 1.00 0.00 H new ATOM 0 HA ILE A 952 3.858 18.758 3.568 1.00 0.00 H new ATOM 0 HB ILE A 952 3.580 15.828 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.809 18.199 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.627 17.265 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.491 16.515 6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.086 16.839 5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.936 18.173 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.062 16.505 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.232 15.223 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.417 16.172 6.318 1.00 0.00 H new ATOM 612 N PRO A 953 6.232 18.797 4.338 1.00 0.00 N ATOM 613 CA PRO A 953 7.651 18.910 4.688 1.00 0.00 C ATOM 614 C PRO A 953 8.021 18.052 5.894 1.00 0.00 C ATOM 615 O PRO A 953 7.415 18.166 6.958 1.00 0.00 O ATOM 616 CB PRO A 953 7.819 20.395 5.018 1.00 0.00 C ATOM 617 CG PRO A 953 6.462 20.845 5.437 1.00 0.00 C ATOM 618 CD PRO A 953 5.488 20.034 4.628 1.00 0.00 C ATOM 0 HA PRO A 953 8.298 18.563 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.549 20.544 5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.172 20.956 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.310 20.685 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.330 21.911 5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.573 19.831 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.196 20.551 3.714 1.00 0.00 H new ATOM 626 N GLY A 954 9.021 17.193 5.719 1.00 0.00 N ATOM 627 CA GLY A 954 9.454 16.329 6.801 1.00 0.00 C ATOM 628 C GLY A 954 8.757 14.982 6.783 1.00 0.00 C ATOM 629 O GLY A 954 8.943 14.167 7.686 1.00 0.00 O ATOM 0 H GLY A 954 9.539 17.080 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.531 16.178 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.261 16.821 7.754 1.00 0.00 H new ATOM 633 N SER A 955 7.951 14.749 5.752 1.00 0.00 N ATOM 634 CA SER A 955 7.220 13.494 5.622 1.00 0.00 C ATOM 635 C SER A 955 8.088 12.424 4.967 1.00 0.00 C ATOM 636 O SER A 955 8.139 11.283 5.426 1.00 0.00 O ATOM 637 CB SER A 955 5.946 13.705 4.801 1.00 0.00 C ATOM 638 OG SER A 955 6.201 13.558 3.415 1.00 0.00 O ATOM 0 H SER A 955 7.788 15.413 4.995 1.00 0.00 H new ATOM 0 HA SER A 955 6.949 13.155 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.186 12.988 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.544 14.699 4.996 1.00 0.00 H new ATOM 0 HG SER A 955 6.352 14.440 3.015 1.00 0.00 H new ATOM 644 N VAL A 956 8.772 12.802 3.892 1.00 0.00 N ATOM 645 CA VAL A 956 9.640 11.877 3.174 1.00 0.00 C ATOM 646 C VAL A 956 10.480 11.049 4.140 1.00 0.00 C ATOM 647 O VAL A 956 11.496 11.517 4.654 1.00 0.00 O ATOM 648 CB VAL A 956 10.578 12.623 2.206 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.551 11.655 1.552 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.772 13.373 1.156 1.00 0.00 C ATOM 0 H VAL A 956 8.742 13.743 3.499 1.00 0.00 H new ATOM 0 HA VAL A 956 8.991 11.215 2.601 1.00 0.00 H new ATOM 0 HB VAL A 956 11.156 13.351 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.205 12.201 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.151 11.168 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.995 10.901 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.450 13.894 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.167 12.666 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.121 14.097 1.646 1.00 0.00 H new ATOM 660 N CYS A 957 10.049 9.816 4.382 1.00 0.00 N ATOM 661 CA CYS A 957 10.760 8.921 5.288 1.00 0.00 C ATOM 662 C CYS A 957 11.333 7.726 4.532 1.00 0.00 C ATOM 663 O CYS A 957 10.595 6.838 4.102 1.00 0.00 O ATOM 664 CB CYS A 957 9.827 8.438 6.399 1.00 0.00 C ATOM 665 SG CYS A 957 10.681 7.916 7.905 1.00 0.00 S ATOM 0 H CYS A 957 9.211 9.413 3.963 1.00 0.00 H new ATOM 0 HA CYS A 957 11.585 9.476 5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.131 9.239 6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.233 7.605 6.023 1.00 0.00 H new ATOM 0 HG CYS A 957 9.808 7.527 8.786 1.00 0.00 H new ATOM 671 N LEU A 958 12.651 7.710 4.373 1.00 0.00 N ATOM 672 CA LEU A 958 13.324 6.624 3.668 1.00 0.00 C ATOM 673 C LEU A 958 13.502 5.412 4.577 1.00 0.00 C ATOM 674 O LEU A 958 13.779 5.552 5.769 1.00 0.00 O ATOM 675 CB LEU A 958 14.684 7.092 3.149 1.00 0.00 C ATOM 676 CG LEU A 958 14.658 8.001 1.920 1.00 0.00 C ATOM 677 CD1 LEU A 958 15.983 8.731 1.768 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.343 7.196 0.668 1.00 0.00 C ATOM 0 H LEU A 958 13.276 8.437 4.723 1.00 0.00 H new ATOM 0 HA LEU A 958 12.701 6.332 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.196 7.619 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.282 6.212 2.912 1.00 0.00 H new ATOM 0 HG LEU A 958 13.872 8.743 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 958 15.946 9.373 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.167 9.339 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.788 8.005 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.329 7.859 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.106 6.431 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.368 6.720 0.777 1.00 0.00 H new ATOM 690 N LYS A 959 13.344 4.223 4.007 1.00 0.00 N ATOM 691 CA LYS A 959 13.491 2.985 4.764 1.00 0.00 C ATOM 692 C LYS A 959 14.798 2.283 4.410 1.00 0.00 C ATOM 693 O LYS A 959 15.102 2.071 3.236 1.00 0.00 O ATOM 694 CB LYS A 959 12.308 2.053 4.491 1.00 0.00 C ATOM 695 CG LYS A 959 12.423 0.706 5.185 1.00 0.00 C ATOM 696 CD LYS A 959 11.791 0.736 6.567 1.00 0.00 C ATOM 697 CE LYS A 959 12.799 1.137 7.632 1.00 0.00 C ATOM 698 NZ LYS A 959 12.151 1.849 8.769 1.00 0.00 N ATOM 0 H LYS A 959 13.114 4.090 3.022 1.00 0.00 H new ATOM 0 HA LYS A 959 13.510 3.236 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.389 2.542 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.223 1.893 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.939 -0.059 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 959 13.473 0.428 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.957 1.438 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 959 11.382 -0.247 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 959 13.308 0.248 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 959 13.560 1.778 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 12.871 2.106 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 11.686 2.711 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 11.442 1.228 9.209 1.00 0.00 H new ATOM 712 N TYR A 960 15.566 1.923 5.432 1.00 0.00 N ATOM 713 CA TYR A 960 16.841 1.245 5.228 1.00 0.00 C ATOM 714 C TYR A 960 16.803 -0.170 5.797 1.00 0.00 C ATOM 715 O TYR A 960 15.817 -0.578 6.410 1.00 0.00 O ATOM 716 CB TYR A 960 17.974 2.039 5.881 1.00 0.00 C ATOM 717 CG TYR A 960 18.127 3.439 5.332 1.00 0.00 C ATOM 718 CD1 TYR A 960 17.431 4.505 5.888 1.00 0.00 C ATOM 719 CD2 TYR A 960 18.969 3.696 4.256 1.00 0.00 C ATOM 720 CE1 TYR A 960 17.568 5.786 5.389 1.00 0.00 C ATOM 721 CE2 TYR A 960 19.112 4.974 3.751 1.00 0.00 C ATOM 722 CZ TYR A 960 18.409 6.015 4.321 1.00 0.00 C ATOM 723 OH TYR A 960 18.549 7.290 3.822 1.00 0.00 O ATOM 0 H TYR A 960 15.328 2.089 6.410 1.00 0.00 H new ATOM 0 HA TYR A 960 17.022 1.181 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.794 2.096 6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.911 1.499 5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 960 16.771 4.329 6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 960 19.521 2.883 3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 960 17.019 6.603 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 960 19.770 5.157 2.915 1.00 0.00 H new ATOM 0 HH TYR A 960 19.179 7.280 3.071 1.00 0.00 H new ATOM 733 N ASN A 961 17.884 -0.914 5.590 1.00 0.00 N ATOM 734 CA ASN A 961 17.976 -2.284 6.081 1.00 0.00 C ATOM 735 C ASN A 961 18.597 -2.321 7.474 1.00 0.00 C ATOM 736 O ASN A 961 18.864 -1.280 8.074 1.00 0.00 O ATOM 737 CB ASN A 961 18.802 -3.139 5.119 1.00 0.00 C ATOM 738 CG ASN A 961 18.190 -3.205 3.733 1.00 0.00 C ATOM 739 OD1 ASN A 961 17.190 -3.891 3.516 1.00 0.00 O ATOM 740 ND2 ASN A 961 18.789 -2.492 2.787 1.00 0.00 N ATOM 0 H ASN A 961 18.709 -0.591 5.085 1.00 0.00 H new ATOM 0 HA ASN A 961 16.967 -2.691 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 961 19.810 -2.731 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 961 18.894 -4.148 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 961 18.423 -2.498 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.615 -1.938 3.012 1.00 0.00 H new ATOM 747 N GLU A 962 18.826 -3.528 7.982 1.00 0.00 N ATOM 748 CA GLU A 962 19.416 -3.701 9.304 1.00 0.00 C ATOM 749 C GLU A 962 20.912 -3.398 9.277 1.00 0.00 C ATOM 750 O GLU A 962 21.570 -3.369 10.316 1.00 0.00 O ATOM 751 CB GLU A 962 19.182 -5.126 9.810 1.00 0.00 C ATOM 752 CG GLU A 962 19.873 -6.190 8.972 1.00 0.00 C ATOM 753 CD GLU A 962 19.477 -7.597 9.374 1.00 0.00 C ATOM 754 OE1 GLU A 962 18.312 -7.978 9.134 1.00 0.00 O ATOM 755 OE2 GLU A 962 20.333 -8.317 9.930 1.00 0.00 O ATOM 0 H GLU A 962 18.612 -4.400 7.498 1.00 0.00 H new ATOM 0 HA GLU A 962 18.933 -2.999 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 962 19.534 -5.200 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.111 -5.326 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.629 -6.034 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 962 20.953 -6.079 9.069 1.00 0.00 H new ATOM 762 N LYS A 963 21.441 -3.174 8.079 1.00 0.00 N ATOM 763 CA LYS A 963 22.858 -2.873 7.913 1.00 0.00 C ATOM 764 C LYS A 963 23.078 -1.374 7.731 1.00 0.00 C ATOM 765 O LYS A 963 24.061 -0.817 8.217 1.00 0.00 O ATOM 766 CB LYS A 963 23.425 -3.632 6.712 1.00 0.00 C ATOM 767 CG LYS A 963 23.433 -5.140 6.894 1.00 0.00 C ATOM 768 CD LYS A 963 24.465 -5.804 5.998 1.00 0.00 C ATOM 769 CE LYS A 963 24.297 -7.316 5.980 1.00 0.00 C ATOM 770 NZ LYS A 963 24.701 -7.935 7.273 1.00 0.00 N ATOM 0 H LYS A 963 20.910 -3.195 7.209 1.00 0.00 H new ATOM 0 HA LYS A 963 23.380 -3.192 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.839 -3.384 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.444 -3.292 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.645 -5.381 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.444 -5.540 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 963 24.373 -5.414 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.467 -5.552 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 963 23.257 -7.563 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 963 24.895 -7.738 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 24.572 -8.966 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 25.701 -7.721 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 24.113 -7.551 8.040 1.00 0.00 H new ATOM 784 N GLY A 964 22.155 -0.726 7.027 1.00 0.00 N ATOM 785 CA GLY A 964 22.266 0.702 6.794 1.00 0.00 C ATOM 786 C GLY A 964 22.038 1.072 5.342 1.00 0.00 C ATOM 787 O GLY A 964 22.040 2.250 4.987 1.00 0.00 O ATOM 0 H GLY A 964 21.332 -1.165 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.541 1.226 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 964 23.255 1.041 7.101 1.00 0.00 H new ATOM 791 N MET A 965 21.844 0.063 4.499 1.00 0.00 N ATOM 792 CA MET A 965 21.615 0.289 3.077 1.00 0.00 C ATOM 793 C MET A 965 20.137 0.542 2.798 1.00 0.00 C ATOM 794 O MET A 965 19.255 0.065 3.512 1.00 0.00 O ATOM 795 CB MET A 965 22.101 -0.912 2.263 1.00 0.00 C ATOM 796 CG MET A 965 23.594 -0.887 1.976 1.00 0.00 C ATOM 797 SD MET A 965 24.127 -2.272 0.952 1.00 0.00 S ATOM 798 CE MET A 965 24.186 -1.498 -0.662 1.00 0.00 C ATOM 0 H MET A 965 21.841 -0.919 4.776 1.00 0.00 H new ATOM 0 HA MET A 965 22.179 1.173 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.858 -1.828 2.802 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.558 -0.944 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.849 0.048 1.477 1.00 0.00 H new ATOM 0 HG3 MET A 965 24.142 -0.905 2.918 1.00 0.00 H new ATOM 0 HE1 MET A 965 24.501 -2.230 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 965 23.197 -1.120 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.896 -0.672 -0.643 1.00 0.00 H new ATOM 808 N PRO A 966 19.858 1.311 1.735 1.00 0.00 N ATOM 809 CA PRO A 966 18.487 1.645 1.337 1.00 0.00 C ATOM 810 C PRO A 966 17.733 0.439 0.786 1.00 0.00 C ATOM 811 O PRO A 966 18.202 -0.232 -0.134 1.00 0.00 O ATOM 812 CB PRO A 966 18.681 2.699 0.245 1.00 0.00 C ATOM 813 CG PRO A 966 20.035 2.424 -0.311 1.00 0.00 C ATOM 814 CD PRO A 966 20.859 1.914 0.838 1.00 0.00 C ATOM 0 HA PRO A 966 17.891 1.991 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.913 2.618 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.618 3.708 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.985 1.687 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.474 3.327 -0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.597 1.182 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.405 2.719 1.329 1.00 0.00 H new ATOM 822 N THR A 967 16.562 0.168 1.355 1.00 0.00 N ATOM 823 CA THR A 967 15.744 -0.957 0.921 1.00 0.00 C ATOM 824 C THR A 967 14.852 -0.568 -0.252 1.00 0.00 C ATOM 825 O THR A 967 13.928 -1.297 -0.610 1.00 0.00 O ATOM 826 CB THR A 967 14.863 -1.486 2.068 1.00 0.00 C ATOM 827 OG1 THR A 967 13.733 -0.627 2.254 1.00 0.00 O ATOM 828 CG2 THR A 967 15.656 -1.576 3.363 1.00 0.00 C ATOM 0 H THR A 967 16.159 0.713 2.118 1.00 0.00 H new ATOM 0 HA THR A 967 16.430 -1.744 0.607 1.00 0.00 H new ATOM 0 HB THR A 967 14.519 -2.485 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 967 14.036 0.246 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 967 15.012 -1.952 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.499 -2.254 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.026 -0.587 3.633 1.00 0.00 H new ATOM 836 N GLY A 968 15.136 0.586 -0.849 1.00 0.00 N ATOM 837 CA GLY A 968 14.350 1.051 -1.976 1.00 0.00 C ATOM 838 C GLY A 968 12.906 1.324 -1.603 1.00 0.00 C ATOM 839 O GLY A 968 12.007 1.176 -2.430 1.00 0.00 O ATOM 0 H GLY A 968 15.896 1.207 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.797 1.961 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.382 0.305 -2.770 1.00 0.00 H new ATOM 843 N GLU A 969 12.684 1.722 -0.354 1.00 0.00 N ATOM 844 CA GLU A 969 11.338 2.013 0.126 1.00 0.00 C ATOM 845 C GLU A 969 11.269 3.411 0.735 1.00 0.00 C ATOM 846 O GLU A 969 12.230 3.885 1.339 1.00 0.00 O ATOM 847 CB GLU A 969 10.906 0.972 1.160 1.00 0.00 C ATOM 848 CG GLU A 969 10.378 -0.313 0.546 1.00 0.00 C ATOM 849 CD GLU A 969 10.316 -1.454 1.544 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.872 -1.218 2.687 1.00 0.00 O ATOM 851 OE2 GLU A 969 10.711 -2.582 1.181 1.00 0.00 O ATOM 0 H GLU A 969 13.418 1.850 0.343 1.00 0.00 H new ATOM 0 HA GLU A 969 10.659 1.972 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.755 0.736 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.135 1.404 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.382 -0.135 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.016 -0.601 -0.290 1.00 0.00 H new ATOM 858 N ALA A 970 10.124 4.066 0.570 1.00 0.00 N ATOM 859 CA ALA A 970 9.928 5.407 1.104 1.00 0.00 C ATOM 860 C ALA A 970 8.461 5.655 1.441 1.00 0.00 C ATOM 861 O ALA A 970 7.567 5.065 0.835 1.00 0.00 O ATOM 862 CB ALA A 970 10.426 6.448 0.112 1.00 0.00 C ATOM 0 H ALA A 970 9.319 3.689 0.071 1.00 0.00 H new ATOM 0 HA ALA A 970 10.505 5.492 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.273 7.446 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.488 6.292 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 970 9.874 6.353 -0.823 1.00 0.00 H new ATOM 868 N MET A 971 8.221 6.531 2.411 1.00 0.00 N ATOM 869 CA MET A 971 6.862 6.856 2.828 1.00 0.00 C ATOM 870 C MET A 971 6.664 8.367 2.905 1.00 0.00 C ATOM 871 O MET A 971 7.557 9.099 3.334 1.00 0.00 O ATOM 872 CB MET A 971 6.556 6.220 4.185 1.00 0.00 C ATOM 873 CG MET A 971 6.079 4.780 4.086 1.00 0.00 C ATOM 874 SD MET A 971 5.666 4.073 5.693 1.00 0.00 S ATOM 875 CE MET A 971 4.301 3.002 5.251 1.00 0.00 C ATOM 0 H MET A 971 8.950 7.028 2.923 1.00 0.00 H new ATOM 0 HA MET A 971 6.174 6.454 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.452 6.256 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.794 6.813 4.692 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.204 4.735 3.438 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.855 4.176 3.616 1.00 0.00 H new ATOM 0 HE1 MET A 971 3.935 2.493 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 971 3.497 3.597 4.817 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.639 2.263 4.524 1.00 0.00 H new ATOM 885 N VAL A 972 5.489 8.828 2.488 1.00 0.00 N ATOM 886 CA VAL A 972 5.175 10.251 2.511 1.00 0.00 C ATOM 887 C VAL A 972 3.760 10.493 3.027 1.00 0.00 C ATOM 888 O VAL A 972 2.954 9.567 3.114 1.00 0.00 O ATOM 889 CB VAL A 972 5.313 10.879 1.112 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.759 10.824 0.642 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.395 10.180 0.121 1.00 0.00 C ATOM 0 H VAL A 972 4.739 8.236 2.130 1.00 0.00 H new ATOM 0 HA VAL A 972 5.891 10.722 3.185 1.00 0.00 H new ATOM 0 HB VAL A 972 5.015 11.926 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.837 11.272 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.390 11.374 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.088 9.786 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.506 10.637 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.659 9.124 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.361 10.277 0.452 1.00 0.00 H new ATOM 901 N ALA A 973 3.466 11.743 3.367 1.00 0.00 N ATOM 902 CA ALA A 973 2.148 12.108 3.872 1.00 0.00 C ATOM 903 C ALA A 973 1.571 13.288 3.098 1.00 0.00 C ATOM 904 O ALA A 973 2.305 14.170 2.652 1.00 0.00 O ATOM 905 CB ALA A 973 2.224 12.434 5.356 1.00 0.00 C ATOM 0 H ALA A 973 4.123 12.521 3.302 1.00 0.00 H new ATOM 0 HA ALA A 973 1.483 11.256 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.233 12.705 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.586 11.563 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.908 13.268 5.511 1.00 0.00 H new ATOM 911 N PHE A 974 0.251 13.297 2.941 1.00 0.00 N ATOM 912 CA PHE A 974 -0.425 14.368 2.218 1.00 0.00 C ATOM 913 C PHE A 974 -1.570 14.944 3.046 1.00 0.00 C ATOM 914 O PHE A 974 -2.328 14.206 3.674 1.00 0.00 O ATOM 915 CB PHE A 974 -0.957 13.853 0.880 1.00 0.00 C ATOM 916 CG PHE A 974 0.101 13.729 -0.179 1.00 0.00 C ATOM 917 CD1 PHE A 974 1.035 12.707 -0.127 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.161 14.634 -1.226 1.00 0.00 C ATOM 919 CE1 PHE A 974 2.010 12.591 -1.099 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.134 14.523 -2.202 1.00 0.00 C ATOM 921 CZ PHE A 974 2.059 13.500 -2.139 1.00 0.00 C ATOM 0 H PHE A 974 -0.371 12.575 3.305 1.00 0.00 H new ATOM 0 HA PHE A 974 0.300 15.160 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.422 12.879 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.738 14.526 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.001 11.993 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.561 15.436 -1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.733 11.791 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.170 15.236 -3.013 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.819 13.410 -2.901 1.00 0.00 H new ATOM 931 N GLU A 975 -1.688 16.269 3.042 1.00 0.00 N ATOM 932 CA GLU A 975 -2.739 16.944 3.793 1.00 0.00 C ATOM 933 C GLU A 975 -4.107 16.687 3.167 1.00 0.00 C ATOM 934 O GLU A 975 -5.112 16.579 3.869 1.00 0.00 O ATOM 935 CB GLU A 975 -2.468 18.449 3.853 1.00 0.00 C ATOM 936 CG GLU A 975 -1.082 18.798 4.369 1.00 0.00 C ATOM 937 CD GLU A 975 -0.718 20.250 4.128 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.608 21.115 4.269 1.00 0.00 O ATOM 939 OE2 GLU A 975 0.455 20.521 3.797 1.00 0.00 O ATOM 0 H GLU A 975 -1.069 16.895 2.527 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.741 16.542 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.592 18.872 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.214 18.919 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -1.033 18.588 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.346 18.157 3.884 1.00 0.00 H new ATOM 946 N SER A 976 -4.135 16.590 1.842 1.00 0.00 N ATOM 947 CA SER A 976 -5.379 16.350 1.119 1.00 0.00 C ATOM 948 C SER A 976 -5.420 14.929 0.565 1.00 0.00 C ATOM 949 O SER A 976 -4.510 14.502 -0.146 1.00 0.00 O ATOM 950 CB SER A 976 -5.535 17.359 -0.020 1.00 0.00 C ATOM 951 OG SER A 976 -6.062 18.586 0.454 1.00 0.00 O ATOM 0 H SER A 976 -3.311 16.674 1.247 1.00 0.00 H new ATOM 0 HA SER A 976 -6.206 16.472 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.567 17.533 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.193 16.949 -0.786 1.00 0.00 H new ATOM 0 HG SER A 976 -6.009 19.261 -0.255 1.00 0.00 H new ATOM 957 N ARG A 977 -6.482 14.202 0.896 1.00 0.00 N ATOM 958 CA ARG A 977 -6.642 12.829 0.433 1.00 0.00 C ATOM 959 C ARG A 977 -6.710 12.773 -1.091 1.00 0.00 C ATOM 960 O ARG A 977 -6.025 11.969 -1.723 1.00 0.00 O ATOM 961 CB ARG A 977 -7.905 12.209 1.033 1.00 0.00 C ATOM 962 CG ARG A 977 -8.009 10.708 0.819 1.00 0.00 C ATOM 963 CD ARG A 977 -8.937 10.063 1.836 1.00 0.00 C ATOM 964 NE ARG A 977 -8.472 10.263 3.205 1.00 0.00 N ATOM 965 CZ ARG A 977 -8.931 9.575 4.245 1.00 0.00 C ATOM 966 NH1 ARG A 977 -9.861 8.646 4.071 1.00 0.00 N ATOM 967 NH2 ARG A 977 -8.458 9.815 5.461 1.00 0.00 N ATOM 0 H ARG A 977 -7.244 14.541 1.483 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.774 12.258 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.928 12.417 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.779 12.691 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.375 10.508 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.018 10.259 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.938 10.480 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.013 8.995 1.631 1.00 0.00 H new ATOM 0 HE ARG A 977 -7.756 10.969 3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -10.226 8.458 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.212 8.119 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -7.742 10.528 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -8.811 9.287 6.259 1.00 0.00 H new ATOM 981 N ASP A 978 -7.539 13.632 -1.672 1.00 0.00 N ATOM 982 CA ASP A 978 -7.697 13.681 -3.121 1.00 0.00 C ATOM 983 C ASP A 978 -6.356 13.931 -3.805 1.00 0.00 C ATOM 984 O ASP A 978 -6.083 13.385 -4.874 1.00 0.00 O ATOM 985 CB ASP A 978 -8.693 14.775 -3.510 1.00 0.00 C ATOM 986 CG ASP A 978 -9.151 14.654 -4.951 1.00 0.00 C ATOM 987 OD1 ASP A 978 -9.965 13.753 -5.241 1.00 0.00 O ATOM 988 OD2 ASP A 978 -8.695 15.461 -5.788 1.00 0.00 O ATOM 0 H ASP A 978 -8.112 14.304 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.080 12.716 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.560 14.725 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.233 15.752 -3.358 1.00 0.00 H new ATOM 993 N GLU A 979 -5.524 14.760 -3.181 1.00 0.00 N ATOM 994 CA GLU A 979 -4.213 15.082 -3.732 1.00 0.00 C ATOM 995 C GLU A 979 -3.319 13.846 -3.768 1.00 0.00 C ATOM 996 O GLU A 979 -2.656 13.576 -4.769 1.00 0.00 O ATOM 997 CB GLU A 979 -3.546 16.184 -2.906 1.00 0.00 C ATOM 998 CG GLU A 979 -3.885 17.588 -3.378 1.00 0.00 C ATOM 999 CD GLU A 979 -5.233 18.063 -2.873 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -6.240 17.372 -3.132 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -5.281 19.126 -2.218 1.00 0.00 O ATOM 0 H GLU A 979 -5.735 15.220 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.353 15.437 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.847 16.078 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.465 16.049 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.111 18.278 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.880 17.612 -4.468 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.306 13.100 -2.668 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.496 11.892 -2.574 1.00 0.00 C ATOM 1010 C ALA A 980 -2.858 10.900 -3.674 1.00 0.00 C ATOM 1011 O ALA A 980 -1.983 10.365 -4.356 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.663 11.250 -1.205 1.00 0.00 C ATOM 0 H ALA A 980 -3.847 13.311 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.451 12.174 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.052 10.349 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.346 11.951 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.710 10.989 -1.051 1.00 0.00 H new ATOM 1018 N THR A 981 -4.155 10.658 -3.842 1.00 0.00 N ATOM 1019 CA THR A 981 -4.633 9.728 -4.858 1.00 0.00 C ATOM 1020 C THR A 981 -4.223 10.182 -6.255 1.00 0.00 C ATOM 1021 O THR A 981 -3.784 9.377 -7.075 1.00 0.00 O ATOM 1022 CB THR A 981 -6.165 9.580 -4.807 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.604 9.492 -3.447 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.615 8.344 -5.572 1.00 0.00 C ATOM 0 H THR A 981 -4.893 11.093 -3.288 1.00 0.00 H new ATOM 0 HA THR A 981 -4.175 8.762 -4.644 1.00 0.00 H new ATOM 0 HB THR A 981 -6.609 10.459 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.579 9.400 -3.423 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.701 8.260 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.305 8.428 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.162 7.457 -5.129 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.370 11.477 -6.518 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.013 12.038 -7.815 1.00 0.00 C ATOM 1034 C ALA A 982 -2.520 11.885 -8.087 1.00 0.00 C ATOM 1035 O ALA A 982 -2.114 11.536 -9.195 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.417 13.503 -7.885 1.00 0.00 C ATOM 0 H ALA A 982 -4.734 12.157 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.554 11.486 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.144 13.909 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.494 13.590 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.902 14.060 -7.102 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.708 12.148 -7.068 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.260 12.039 -7.198 1.00 0.00 C ATOM 1044 C ALA A 983 0.159 10.598 -7.472 1.00 0.00 C ATOM 1045 O ALA A 983 1.054 10.344 -8.277 1.00 0.00 O ATOM 1046 CB ALA A 983 0.423 12.560 -5.942 1.00 0.00 C ATOM 0 H ALA A 983 -2.028 12.438 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 983 0.051 12.648 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.504 12.473 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.157 13.606 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.098 11.975 -5.082 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.494 9.658 -6.795 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.189 8.243 -6.966 1.00 0.00 C ATOM 1054 C VAL A 984 -0.557 7.766 -8.366 1.00 0.00 C ATOM 1055 O VAL A 984 0.241 7.114 -9.040 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.933 7.379 -5.930 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.725 5.901 -6.218 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.475 7.726 -4.521 1.00 0.00 C ATOM 0 H VAL A 984 -1.237 9.851 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 984 0.885 8.131 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.000 7.591 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.258 5.307 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.106 5.667 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.339 5.668 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.010 7.107 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.596 7.543 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.682 8.777 -4.320 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.769 8.096 -8.798 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.242 7.703 -10.120 1.00 0.00 C ATOM 1070 C ILE A 985 -1.408 8.354 -11.218 1.00 0.00 C ATOM 1071 O ILE A 985 -1.033 7.704 -12.194 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.722 8.080 -10.323 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.593 7.406 -9.261 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.181 7.688 -11.719 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.973 8.012 -9.138 1.00 0.00 C ATOM 0 H ILE A 985 -2.442 8.635 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.139 6.620 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.825 9.160 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.690 6.347 -9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.090 7.469 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.229 7.961 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.577 8.210 -12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.067 6.612 -11.851 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.535 7.485 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.886 9.064 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.495 7.924 -10.091 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.120 9.640 -11.051 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.327 10.379 -12.026 1.00 0.00 C ATOM 1089 C ASP A 986 1.148 10.001 -11.926 1.00 0.00 C ATOM 1090 O ASP A 986 1.914 10.191 -12.871 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.496 11.884 -11.818 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.691 12.442 -12.566 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.808 11.917 -12.375 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.509 13.402 -13.344 1.00 0.00 O ATOM 0 H ASP A 986 -1.424 10.192 -10.249 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.684 10.116 -13.022 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.609 12.090 -10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.407 12.397 -12.148 1.00 0.00 H new ATOM 1099 N LEU A 987 1.539 9.467 -10.774 1.00 0.00 N ATOM 1100 CA LEU A 987 2.923 9.064 -10.549 1.00 0.00 C ATOM 1101 C LEU A 987 3.011 7.574 -10.232 1.00 0.00 C ATOM 1102 O LEU A 987 3.962 7.120 -9.597 1.00 0.00 O ATOM 1103 CB LEU A 987 3.533 9.877 -9.406 1.00 0.00 C ATOM 1104 CG LEU A 987 3.290 11.386 -9.453 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.277 11.969 -8.048 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.349 12.070 -10.306 1.00 0.00 C ATOM 0 H LEU A 987 0.918 9.303 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 987 3.485 9.257 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.139 9.495 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.609 9.702 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 987 2.315 11.564 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.103 13.044 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.482 11.501 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.237 11.781 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.161 13.143 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.335 11.883 -9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.311 11.674 -11.321 1.00 0.00 H new ATOM 1118 N ASN A 988 2.014 6.819 -10.681 1.00 0.00 N ATOM 1119 CA ASN A 988 1.980 5.380 -10.446 1.00 0.00 C ATOM 1120 C ASN A 988 2.770 4.635 -11.518 1.00 0.00 C ATOM 1121 O ASN A 988 2.651 4.928 -12.707 1.00 0.00 O ATOM 1122 CB ASN A 988 0.534 4.880 -10.422 1.00 0.00 C ATOM 1123 CG ASN A 988 0.414 3.437 -10.873 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.114 3.161 -12.035 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.648 2.509 -9.954 1.00 0.00 N ATOM 0 H ASN A 988 1.219 7.179 -11.209 1.00 0.00 H new ATOM 0 HA ASN A 988 2.441 5.184 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.136 4.976 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.077 5.512 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.582 1.521 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.894 2.784 -9.003 1.00 0.00 H new ATOM 1132 N ASP A 989 3.576 3.671 -11.087 1.00 0.00 N ATOM 1133 CA ASP A 989 4.385 2.882 -12.010 1.00 0.00 C ATOM 1134 C ASP A 989 5.264 3.785 -12.870 1.00 0.00 C ATOM 1135 O ASP A 989 5.409 3.562 -14.072 1.00 0.00 O ATOM 1136 CB ASP A 989 3.487 2.023 -12.902 1.00 0.00 C ATOM 1137 CG ASP A 989 3.091 0.718 -12.238 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.959 0.091 -11.597 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.912 0.324 -12.361 1.00 0.00 O ATOM 0 H ASP A 989 3.687 3.417 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 989 5.031 2.230 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.589 2.585 -13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.005 1.809 -13.837 1.00 0.00 H new ATOM 1144 N ARG A 990 5.846 4.804 -12.246 1.00 0.00 N ATOM 1145 CA ARG A 990 6.709 5.741 -12.955 1.00 0.00 C ATOM 1146 C ARG A 990 8.135 5.206 -13.046 1.00 0.00 C ATOM 1147 O ARG A 990 8.720 4.758 -12.060 1.00 0.00 O ATOM 1148 CB ARG A 990 6.706 7.100 -12.253 1.00 0.00 C ATOM 1149 CG ARG A 990 5.626 8.044 -12.757 1.00 0.00 C ATOM 1150 CD ARG A 990 6.046 9.498 -12.612 1.00 0.00 C ATOM 1151 NE ARG A 990 7.279 9.787 -13.339 1.00 0.00 N ATOM 1152 CZ ARG A 990 7.716 11.017 -13.585 1.00 0.00 C ATOM 1153 NH1 ARG A 990 7.024 12.067 -13.165 1.00 0.00 N ATOM 1154 NH2 ARG A 990 8.848 11.199 -14.253 1.00 0.00 N ATOM 0 H ARG A 990 5.736 5.002 -11.251 1.00 0.00 H new ATOM 0 HA ARG A 990 6.320 5.861 -13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.571 6.946 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.680 7.571 -12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.412 7.828 -13.804 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.704 7.873 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.249 10.144 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.184 9.732 -11.556 1.00 0.00 H new ATOM 0 HE ARG A 990 7.835 9.001 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 990 6.153 11.932 -12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 990 7.362 13.010 -13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 990 9.383 10.394 -14.578 1.00 0.00 H new ATOM 0 HH22 ARG A 990 9.183 12.144 -14.441 1.00 0.00 H new ATOM 1168 N PRO A 991 8.708 5.252 -14.258 1.00 0.00 N ATOM 1169 CA PRO A 991 10.072 4.776 -14.507 1.00 0.00 C ATOM 1170 C PRO A 991 11.125 5.674 -13.866 1.00 0.00 C ATOM 1171 O PRO A 991 11.685 6.554 -14.520 1.00 0.00 O ATOM 1172 CB PRO A 991 10.190 4.819 -16.032 1.00 0.00 C ATOM 1173 CG PRO A 991 9.206 5.853 -16.459 1.00 0.00 C ATOM 1174 CD PRO A 991 8.070 5.773 -15.478 1.00 0.00 C ATOM 0 HA PRO A 991 10.243 3.788 -14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.201 5.082 -16.344 1.00 0.00 H new ATOM 0 HB3 PRO A 991 9.962 3.849 -16.474 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.656 6.846 -16.455 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.858 5.665 -17.475 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.616 6.749 -15.308 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.279 5.111 -15.832 1.00 0.00 H new ATOM 1182 N ILE A 992 11.390 5.444 -12.584 1.00 0.00 N ATOM 1183 CA ILE A 992 12.378 6.232 -11.856 1.00 0.00 C ATOM 1184 C ILE A 992 13.790 5.717 -12.114 1.00 0.00 C ATOM 1185 O ILE A 992 14.023 4.510 -12.162 1.00 0.00 O ATOM 1186 CB ILE A 992 12.106 6.214 -10.341 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.937 7.140 -9.999 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.354 6.623 -9.573 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.684 7.273 -8.514 1.00 0.00 C ATOM 0 H ILE A 992 10.935 4.719 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 992 12.295 7.256 -12.220 1.00 0.00 H new ATOM 0 HB ILE A 992 11.839 5.199 -10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.133 8.128 -10.415 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.034 6.765 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.145 6.605 -8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.163 5.927 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.649 7.630 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.842 7.944 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.456 6.293 -8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.572 7.678 -8.028 1.00 0.00 H new ATOM 1201 N GLY A 993 14.731 6.642 -12.277 1.00 0.00 N ATOM 1202 CA GLY A 993 16.109 6.263 -12.526 1.00 0.00 C ATOM 1203 C GLY A 993 16.236 5.227 -13.626 1.00 0.00 C ATOM 1204 O GLY A 993 16.325 5.572 -14.804 1.00 0.00 O ATOM 0 H GLY A 993 14.563 7.647 -12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.683 7.149 -12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.546 5.869 -11.608 1.00 0.00 H new ATOM 1208 N SER A 994 16.246 3.955 -13.241 1.00 0.00 N ATOM 1209 CA SER A 994 16.368 2.866 -14.203 1.00 0.00 C ATOM 1210 C SER A 994 15.326 1.785 -13.935 1.00 0.00 C ATOM 1211 O SER A 994 15.249 0.789 -14.655 1.00 0.00 O ATOM 1212 CB SER A 994 17.772 2.262 -14.145 1.00 0.00 C ATOM 1213 OG SER A 994 18.738 3.165 -14.656 1.00 0.00 O ATOM 0 H SER A 994 16.171 3.653 -12.270 1.00 0.00 H new ATOM 0 HA SER A 994 16.196 3.273 -15.199 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.019 2.006 -13.115 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.797 1.335 -14.719 1.00 0.00 H new ATOM 0 HG SER A 994 19.627 2.756 -14.606 1.00 0.00 H new ATOM 1219 N ARG A 995 14.525 1.989 -12.894 1.00 0.00 N ATOM 1220 CA ARG A 995 13.488 1.031 -12.529 1.00 0.00 C ATOM 1221 C ARG A 995 12.162 1.740 -12.266 1.00 0.00 C ATOM 1222 O ARG A 995 12.128 2.947 -12.023 1.00 0.00 O ATOM 1223 CB ARG A 995 13.909 0.238 -11.291 1.00 0.00 C ATOM 1224 CG ARG A 995 15.342 -0.264 -11.348 1.00 0.00 C ATOM 1225 CD ARG A 995 15.622 -1.276 -10.248 1.00 0.00 C ATOM 1226 NE ARG A 995 15.131 -2.608 -10.591 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.697 -3.386 -11.506 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.769 -2.969 -12.166 1.00 0.00 N ATOM 1229 NH2 ARG A 995 15.191 -4.586 -11.763 1.00 0.00 N ATOM 0 H ARG A 995 14.574 2.809 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 995 13.354 0.343 -13.364 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.788 0.867 -10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.239 -0.613 -11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.531 -0.720 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.028 0.578 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.695 -1.322 -10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.152 -0.944 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 995 14.308 -2.960 -10.101 1.00 0.00 H new ATOM 0 HH11 ARG A 995 17.161 -2.048 -11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 995 17.201 -3.569 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.367 -4.911 -11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 995 15.626 -5.183 -12.466 1.00 0.00 H new ATOM 1243 N LYS A 996 11.072 0.983 -12.316 1.00 0.00 N ATOM 1244 CA LYS A 996 9.743 1.536 -12.082 1.00 0.00 C ATOM 1245 C LYS A 996 9.394 1.505 -10.598 1.00 0.00 C ATOM 1246 O LYS A 996 9.758 0.570 -9.884 1.00 0.00 O ATOM 1247 CB LYS A 996 8.696 0.757 -12.880 1.00 0.00 C ATOM 1248 CG LYS A 996 8.831 0.920 -14.384 1.00 0.00 C ATOM 1249 CD LYS A 996 8.003 -0.110 -15.133 1.00 0.00 C ATOM 1250 CE LYS A 996 8.065 0.112 -16.637 1.00 0.00 C ATOM 1251 NZ LYS A 996 7.324 -0.942 -17.384 1.00 0.00 N ATOM 0 H LYS A 996 11.082 -0.017 -12.517 1.00 0.00 H new ATOM 0 HA LYS A 996 9.745 2.574 -12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.774 -0.301 -12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.702 1.084 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.514 1.922 -14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.879 0.823 -14.669 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.365 -1.111 -14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 996 6.967 -0.058 -14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.647 1.090 -16.877 1.00 0.00 H new ATOM 0 HE3 LYS A 996 9.106 0.122 -16.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 7.390 -0.755 -18.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 7.739 -1.872 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 6.325 -0.935 -17.095 1.00 0.00 H new ATOM 1265 N VAL A 997 8.685 2.532 -10.139 1.00 0.00 N ATOM 1266 CA VAL A 997 8.285 2.620 -8.740 1.00 0.00 C ATOM 1267 C VAL A 997 6.805 2.297 -8.571 1.00 0.00 C ATOM 1268 O VAL A 997 6.001 2.519 -9.477 1.00 0.00 O ATOM 1269 CB VAL A 997 8.562 4.021 -8.164 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.024 4.157 -7.769 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.171 5.096 -9.168 1.00 0.00 C ATOM 0 H VAL A 997 8.376 3.314 -10.716 1.00 0.00 H new ATOM 0 HA VAL A 997 8.879 1.887 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 997 7.955 4.153 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.200 5.154 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.268 3.410 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.653 4.005 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.373 6.080 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.751 4.968 -10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.109 5.011 -9.397 1.00 0.00 H new ATOM 1281 N LYS A 998 6.449 1.770 -7.404 1.00 0.00 N ATOM 1282 CA LYS A 998 5.065 1.417 -7.113 1.00 0.00 C ATOM 1283 C LYS A 998 4.504 2.289 -5.994 1.00 0.00 C ATOM 1284 O LYS A 998 5.087 2.380 -4.913 1.00 0.00 O ATOM 1285 CB LYS A 998 4.965 -0.059 -6.721 1.00 0.00 C ATOM 1286 CG LYS A 998 3.548 -0.514 -6.418 1.00 0.00 C ATOM 1287 CD LYS A 998 2.704 -0.588 -7.679 1.00 0.00 C ATOM 1288 CE LYS A 998 1.467 -1.448 -7.472 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.820 -2.858 -7.145 1.00 0.00 N ATOM 0 H LYS A 998 7.101 1.578 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 998 4.476 1.589 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.368 -0.669 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.590 -0.237 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.574 -1.493 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.087 0.175 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.404 0.417 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 998 3.301 -0.997 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.864 -1.029 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.855 -1.427 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 1.011 -3.477 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.639 -3.152 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 2.056 -2.931 -6.135 1.00 0.00 H new ATOM 1303 N LEU A 999 3.371 2.928 -6.261 1.00 0.00 N ATOM 1304 CA LEU A 999 2.730 3.793 -5.276 1.00 0.00 C ATOM 1305 C LEU A 999 1.420 3.184 -4.787 1.00 0.00 C ATOM 1306 O LEU A 999 0.558 2.815 -5.585 1.00 0.00 O ATOM 1307 CB LEU A 999 2.470 5.176 -5.874 1.00 0.00 C ATOM 1308 CG LEU A 999 3.709 6.018 -6.180 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.341 7.216 -7.043 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.377 6.473 -4.891 1.00 0.00 C ATOM 0 H LEU A 999 2.877 2.864 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 999 3.403 3.893 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.904 5.050 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.837 5.735 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 999 4.416 5.400 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.235 7.803 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.909 6.869 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.615 7.835 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.257 7.071 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.676 7.073 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.677 5.601 -4.309 1.00 0.00 H new ATOM 1322 N VAL A1000 1.275 3.083 -3.469 1.00 0.00 N ATOM 1323 CA VAL A1000 0.068 2.522 -2.873 1.00 0.00 C ATOM 1324 C VAL A1000 -0.555 3.493 -1.877 1.00 0.00 C ATOM 1325 O VAL A1000 0.150 4.153 -1.112 1.00 0.00 O ATOM 1326 CB VAL A1000 0.362 1.190 -2.159 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.923 0.571 -1.631 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.079 0.230 -3.097 1.00 0.00 C ATOM 0 H VAL A1000 1.979 3.382 -2.794 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.633 2.342 -3.688 1.00 0.00 H new ATOM 0 HB VAL A1000 1.016 1.390 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.695 -0.370 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.392 1.255 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.604 0.384 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.279 -0.706 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.452 0.035 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.021 0.673 -3.421 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.881 3.576 -1.891 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.601 4.467 -0.987 1.00 0.00 C ATOM 1340 C LEU A1001 -2.645 3.892 0.425 1.00 0.00 C ATOM 1341 O LEU A1001 -3.033 2.742 0.626 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.024 4.702 -1.498 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.205 5.872 -2.466 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.586 5.832 -3.100 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -3.983 7.196 -1.750 1.00 0.00 C ATOM 0 H LEU A1001 -2.479 3.038 -2.518 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.070 5.418 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.366 3.792 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.675 4.863 -0.639 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.462 5.781 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.696 6.672 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.708 4.898 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.346 5.897 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.116 8.017 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.702 7.295 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -2.971 7.225 -1.345 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.245 4.701 1.401 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.247 4.256 2.782 1.00 0.00 C ATOM 1359 C GLY A1002 -3.475 3.435 3.124 1.00 0.00 C ATOM 1360 O GLY A1002 -3.364 2.268 3.500 1.00 0.00 O ATOM 0 H GLY A1002 -1.919 5.657 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.353 3.662 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.199 5.123 3.440 1.00 0.00 H new