USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 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 -110:sc= -0.675 USER MOD Single : A 929 LYS NZ :NH3+ -146:sc= -1.87 (180deg=-3.61!) USER MOD Single : A 931 GLN :FLIP amide:sc= -0.0196 F(o=-0.74,f=-0.02) USER MOD Single : A 932 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.21) USER MOD Single : A 933 MET CE :methyl -145:sc= -1.4 (180deg=-2.14) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 70:sc= 0.0726 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 150:sc= -0.213 USER MOD Single : A 950 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.19) USER MOD Single : A 955 SER OG : rot -77:sc= -3.83! USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ -116:sc= 0.0878 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN :FLIP amide:sc= -6.23! C(o=-9.5!,f=-6.2!) 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 180:sc= -0.201 USER MOD Single : A 971 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 976 SER OG : rot 180:sc= 0 USER MOD Single : A 981 THR OG1 : rot 77:sc= 0.505 USER MOD Single : A 988 ASN : amide:sc=-0.00478 X(o=-0.0048,f=-0.23) USER MOD Single : A 994 SER OG : rot -39:sc= 0.327 USER MOD Single : A 996 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0729) USER MOD Single : A 998 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -4.248 13.139 7.507 1.00 0.00 N ATOM 149 CA PRO A 925 -3.647 13.099 6.171 1.00 0.00 C ATOM 150 C PRO A 925 -3.533 11.678 5.629 1.00 0.00 C ATOM 151 O PRO A 925 -3.731 10.706 6.359 1.00 0.00 O ATOM 152 CB PRO A 925 -2.256 13.701 6.390 1.00 0.00 C ATOM 153 CG PRO A 925 -1.955 13.446 7.826 1.00 0.00 C ATOM 154 CD PRO A 925 -3.274 13.516 8.545 1.00 0.00 C ATOM 0 HA PRO A 925 -4.248 13.636 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.516 13.233 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.247 14.768 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.489 12.470 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -1.258 14.188 8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -3.306 12.833 9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -3.467 14.516 8.934 1.00 0.00 H new ATOM 162 N THR A 926 -3.212 11.564 4.344 1.00 0.00 N ATOM 163 CA THR A 926 -3.072 10.262 3.705 1.00 0.00 C ATOM 164 C THR A 926 -1.605 9.872 3.566 1.00 0.00 C ATOM 165 O THR A 926 -0.779 10.673 3.129 1.00 0.00 O ATOM 166 CB THR A 926 -3.729 10.247 2.311 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.099 10.653 2.411 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.650 8.861 1.690 1.00 0.00 C ATOM 0 H THR A 926 -3.044 12.358 3.726 1.00 0.00 H new ATOM 0 HA THR A 926 -3.578 9.540 4.346 1.00 0.00 H new ATOM 0 HB THR A 926 -3.189 10.945 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.681 9.884 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.120 8.876 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.605 8.567 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.168 8.146 2.329 1.00 0.00 H new ATOM 176 N ILE A 927 -1.288 8.637 3.940 1.00 0.00 N ATOM 177 CA ILE A 927 0.080 8.141 3.856 1.00 0.00 C ATOM 178 C ILE A 927 0.272 7.267 2.621 1.00 0.00 C ATOM 179 O ILE A 927 -0.488 6.326 2.390 1.00 0.00 O ATOM 180 CB ILE A 927 0.463 7.331 5.108 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.209 8.155 6.373 1.00 0.00 C ATOM 182 CG2 ILE A 927 1.921 6.900 5.035 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.112 9.361 6.499 1.00 0.00 C ATOM 0 H ILE A 927 -1.960 7.962 4.304 1.00 0.00 H new ATOM 0 HA ILE A 927 0.729 9.014 3.786 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.159 6.437 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.829 8.486 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.345 7.517 7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.177 6.328 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.073 6.281 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.559 7.782 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 927 0.876 9.898 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.152 9.036 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 927 0.960 10.020 5.645 1.00 0.00 H new ATOM 195 N ILE A 928 1.293 7.584 1.832 1.00 0.00 N ATOM 196 CA ILE A 928 1.587 6.826 0.622 1.00 0.00 C ATOM 197 C ILE A 928 2.853 5.991 0.790 1.00 0.00 C ATOM 198 O ILE A 928 3.796 6.403 1.466 1.00 0.00 O ATOM 199 CB ILE A 928 1.755 7.752 -0.596 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.449 8.497 -0.882 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.193 6.953 -1.814 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.547 9.468 -2.037 1.00 0.00 C ATOM 0 H ILE A 928 1.930 8.360 2.009 1.00 0.00 H new ATOM 0 HA ILE A 928 0.738 6.164 0.451 1.00 0.00 H new ATOM 0 HB ILE A 928 2.529 8.486 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.335 7.770 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.146 9.040 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.307 7.623 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.145 6.465 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.441 6.198 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.415 9.959 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.308 10.217 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.819 8.928 -2.944 1.00 0.00 H new ATOM 214 N LYS A 929 2.867 4.817 0.169 1.00 0.00 N ATOM 215 CA LYS A 929 4.018 3.924 0.246 1.00 0.00 C ATOM 216 C LYS A 929 4.670 3.758 -1.122 1.00 0.00 C ATOM 217 O LYS A 929 3.992 3.498 -2.117 1.00 0.00 O ATOM 218 CB LYS A 929 3.594 2.558 0.790 1.00 0.00 C ATOM 219 CG LYS A 929 3.644 2.464 2.305 1.00 0.00 C ATOM 220 CD LYS A 929 2.611 1.485 2.838 1.00 0.00 C ATOM 221 CE LYS A 929 2.842 0.083 2.297 1.00 0.00 C ATOM 222 NZ LYS A 929 2.345 -0.062 0.901 1.00 0.00 N ATOM 0 H LYS A 929 2.094 4.461 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 929 4.746 4.368 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.580 2.342 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.241 1.790 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.640 2.150 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 929 3.470 3.449 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 929 2.653 1.467 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 929 1.612 1.823 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 929 3.907 -0.148 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 929 2.340 -0.641 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 1.981 -1.026 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.582 0.624 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 3.124 0.114 0.235 1.00 0.00 H new ATOM 236 N VAL A 930 5.990 3.908 -1.166 1.00 0.00 N ATOM 237 CA VAL A 930 6.734 3.772 -2.413 1.00 0.00 C ATOM 238 C VAL A 930 7.646 2.551 -2.378 1.00 0.00 C ATOM 239 O VAL A 930 8.444 2.387 -1.456 1.00 0.00 O ATOM 240 CB VAL A 930 7.583 5.025 -2.699 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.323 4.879 -4.020 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.710 6.271 -2.702 1.00 0.00 C ATOM 0 H VAL A 930 6.566 4.124 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 930 5.999 3.650 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 930 8.323 5.130 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.917 5.774 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.980 4.010 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.603 4.748 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.326 7.147 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.946 6.178 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.232 6.382 -1.729 1.00 0.00 H new ATOM 252 N GLN A 931 7.520 1.697 -3.389 1.00 0.00 N ATOM 253 CA GLN A 931 8.333 0.489 -3.473 1.00 0.00 C ATOM 254 C GLN A 931 8.943 0.341 -4.863 1.00 0.00 C ATOM 255 O GLN A 931 8.551 1.033 -5.801 1.00 0.00 O ATOM 256 CB GLN A 931 7.490 -0.743 -3.139 1.00 0.00 C ATOM 257 CG GLN A 931 8.223 -1.768 -2.288 1.00 0.00 C ATOM 258 CD GLN A 931 7.423 -2.196 -1.073 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.208 -1.268 -0.149 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 7.005 -3.349 -0.966 1.00 0.00 N flip ATOM 0 H GLN A 931 6.864 1.819 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 931 9.142 0.574 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.589 -0.425 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.169 -1.216 -4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.450 -2.644 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.176 -1.350 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.194 -4.030 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.470 -3.623 -0.142 1.00 0.00 H new ATOM 269 N ASN A 932 9.906 -0.567 -4.987 1.00 0.00 N ATOM 270 CA ASN A 932 10.572 -0.807 -6.263 1.00 0.00 C ATOM 271 C ASN A 932 11.440 0.385 -6.655 1.00 0.00 C ATOM 272 O ASN A 932 11.350 0.889 -7.774 1.00 0.00 O ATOM 273 CB ASN A 932 9.538 -1.082 -7.357 1.00 0.00 C ATOM 274 CG ASN A 932 10.086 -1.965 -8.461 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.494 -2.988 -8.804 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.224 -1.573 -9.023 1.00 0.00 N ATOM 0 H ASN A 932 10.243 -1.149 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 932 11.214 -1.681 -6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.663 -1.559 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.204 -0.136 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.641 -2.128 -9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.681 -0.717 -8.707 1.00 0.00 H new ATOM 283 N MET A 933 12.279 0.830 -5.726 1.00 0.00 N ATOM 284 CA MET A 933 13.165 1.961 -5.976 1.00 0.00 C ATOM 285 C MET A 933 14.627 1.547 -5.841 1.00 0.00 C ATOM 286 O MET A 933 15.032 0.920 -4.863 1.00 0.00 O ATOM 287 CB MET A 933 12.855 3.103 -5.005 1.00 0.00 C ATOM 288 CG MET A 933 11.820 4.083 -5.532 1.00 0.00 C ATOM 289 SD MET A 933 11.834 5.652 -4.642 1.00 0.00 S ATOM 290 CE MET A 933 11.592 5.089 -2.959 1.00 0.00 C ATOM 0 H MET A 933 12.364 0.425 -4.794 1.00 0.00 H new ATOM 0 HA MET A 933 12.996 2.304 -6.997 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.500 2.683 -4.064 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.776 3.643 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.006 4.268 -6.590 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.829 3.635 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 933 10.988 5.815 -2.416 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.081 4.126 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.559 4.982 -2.468 1.00 0.00 H new ATOM 300 N PRO A 934 15.439 1.904 -6.847 1.00 0.00 N ATOM 301 CA PRO A 934 16.869 1.580 -6.864 1.00 0.00 C ATOM 302 C PRO A 934 17.654 2.367 -5.820 1.00 0.00 C ATOM 303 O PRO A 934 17.211 3.419 -5.358 1.00 0.00 O ATOM 304 CB PRO A 934 17.306 1.979 -8.276 1.00 0.00 C ATOM 305 CG PRO A 934 16.330 3.023 -8.694 1.00 0.00 C ATOM 306 CD PRO A 934 15.025 2.653 -8.046 1.00 0.00 C ATOM 0 HA PRO A 934 17.053 0.532 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.325 2.365 -8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.286 1.125 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.657 4.013 -8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.232 3.054 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.441 3.536 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.407 2.045 -8.706 1.00 0.00 H new ATOM 314 N PHE A 935 18.822 1.851 -5.453 1.00 0.00 N ATOM 315 CA PHE A 935 19.669 2.506 -4.463 1.00 0.00 C ATOM 316 C PHE A 935 19.998 3.934 -4.887 1.00 0.00 C ATOM 317 O PHE A 935 20.134 4.827 -4.050 1.00 0.00 O ATOM 318 CB PHE A 935 20.962 1.712 -4.261 1.00 0.00 C ATOM 319 CG PHE A 935 20.754 0.225 -4.235 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.023 -0.369 -3.218 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.288 -0.580 -5.229 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.831 -1.737 -3.192 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.099 -1.949 -5.208 1.00 0.00 C ATOM 324 CZ PHE A 935 20.369 -2.528 -4.189 1.00 0.00 C ATOM 0 H PHE A 935 19.204 0.982 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 935 19.121 2.542 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.660 1.959 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.427 2.022 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.599 0.245 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.858 -0.132 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.261 -2.188 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.522 -2.565 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.219 -3.597 -4.171 1.00 0.00 H new ATOM 334 N THR A 936 20.123 4.143 -6.194 1.00 0.00 N ATOM 335 CA THR A 936 20.437 5.461 -6.731 1.00 0.00 C ATOM 336 C THR A 936 19.464 6.513 -6.210 1.00 0.00 C ATOM 337 O THR A 936 19.829 7.674 -6.025 1.00 0.00 O ATOM 338 CB THR A 936 20.403 5.463 -8.271 1.00 0.00 C ATOM 339 OG1 THR A 936 19.067 5.231 -8.731 1.00 0.00 O ATOM 340 CG2 THR A 936 21.332 4.399 -8.834 1.00 0.00 C ATOM 0 H THR A 936 20.011 3.416 -6.900 1.00 0.00 H new ATOM 0 HA THR A 936 21.445 5.706 -6.398 1.00 0.00 H new ATOM 0 HB THR A 936 20.742 6.439 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 936 19.053 5.235 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.291 4.420 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.352 4.596 -8.505 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.019 3.417 -8.478 1.00 0.00 H new ATOM 348 N VAL A 937 18.223 6.099 -5.976 1.00 0.00 N ATOM 349 CA VAL A 937 17.196 7.005 -5.475 1.00 0.00 C ATOM 350 C VAL A 937 17.695 7.784 -4.263 1.00 0.00 C ATOM 351 O VAL A 937 18.395 7.241 -3.408 1.00 0.00 O ATOM 352 CB VAL A 937 15.914 6.244 -5.089 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.895 7.190 -4.473 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.331 5.535 -6.303 1.00 0.00 C ATOM 0 H VAL A 937 17.904 5.142 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 937 16.967 7.700 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 937 16.170 5.491 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.996 6.634 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.317 7.647 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.640 7.969 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.426 5.002 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.090 6.269 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.060 4.826 -6.695 1.00 0.00 H new ATOM 364 N SER A 938 17.330 9.061 -4.195 1.00 0.00 N ATOM 365 CA SER A 938 17.744 9.916 -3.089 1.00 0.00 C ATOM 366 C SER A 938 16.656 10.931 -2.751 1.00 0.00 C ATOM 367 O SER A 938 15.654 11.041 -3.459 1.00 0.00 O ATOM 368 CB SER A 938 19.044 10.643 -3.437 1.00 0.00 C ATOM 369 OG SER A 938 20.122 9.731 -3.558 1.00 0.00 O ATOM 0 H SER A 938 16.749 9.526 -4.893 1.00 0.00 H new ATOM 0 HA SER A 938 17.912 9.284 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.920 11.190 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.271 11.379 -2.665 1.00 0.00 H new ATOM 0 HG SER A 938 19.997 9.182 -4.360 1.00 0.00 H new ATOM 375 N ILE A 939 16.860 11.669 -1.666 1.00 0.00 N ATOM 376 CA ILE A 939 15.898 12.675 -1.234 1.00 0.00 C ATOM 377 C ILE A 939 15.655 13.709 -2.329 1.00 0.00 C ATOM 378 O ILE A 939 14.519 14.116 -2.571 1.00 0.00 O ATOM 379 CB ILE A 939 16.372 13.397 0.041 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.491 12.405 1.200 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.415 14.524 0.399 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.288 12.936 2.371 1.00 0.00 C ATOM 0 H ILE A 939 17.683 11.589 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 939 14.967 12.150 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 939 17.355 13.828 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.491 12.138 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.959 11.490 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.764 15.024 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.375 15.241 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.420 14.115 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.331 12.180 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.299 13.177 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.809 13.835 2.760 1.00 0.00 H new ATOM 394 N ASP A 940 16.730 14.128 -2.988 1.00 0.00 N ATOM 395 CA ASP A 940 16.633 15.113 -4.059 1.00 0.00 C ATOM 396 C ASP A 940 15.804 14.572 -5.220 1.00 0.00 C ATOM 397 O ASP A 940 14.933 15.263 -5.747 1.00 0.00 O ATOM 398 CB ASP A 940 18.029 15.502 -4.550 1.00 0.00 C ATOM 399 CG ASP A 940 18.822 16.256 -3.501 1.00 0.00 C ATOM 400 OD1 ASP A 940 19.052 15.690 -2.412 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.212 17.412 -3.769 1.00 0.00 O ATOM 0 H ASP A 940 17.678 13.801 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 940 16.136 15.998 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.574 14.603 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.938 16.118 -5.445 1.00 0.00 H new ATOM 406 N GLU A 941 16.084 13.334 -5.615 1.00 0.00 N ATOM 407 CA GLU A 941 15.365 12.703 -6.715 1.00 0.00 C ATOM 408 C GLU A 941 13.898 12.489 -6.354 1.00 0.00 C ATOM 409 O GLU A 941 13.004 12.771 -7.153 1.00 0.00 O ATOM 410 CB GLU A 941 16.013 11.365 -7.076 1.00 0.00 C ATOM 411 CG GLU A 941 17.481 11.481 -7.450 1.00 0.00 C ATOM 412 CD GLU A 941 17.689 12.140 -8.800 1.00 0.00 C ATOM 413 OE1 GLU A 941 17.379 11.500 -9.826 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.162 13.295 -8.830 1.00 0.00 O ATOM 0 H GLU A 941 16.803 12.749 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 941 15.416 13.368 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.915 10.684 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.469 10.920 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 941 18.003 12.056 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.929 10.487 -7.462 1.00 0.00 H new ATOM 421 N ILE A 942 13.658 11.987 -5.147 1.00 0.00 N ATOM 422 CA ILE A 942 12.300 11.736 -4.681 1.00 0.00 C ATOM 423 C ILE A 942 11.487 13.025 -4.636 1.00 0.00 C ATOM 424 O ILE A 942 10.361 13.079 -5.134 1.00 0.00 O ATOM 425 CB ILE A 942 12.296 11.091 -3.282 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.913 9.691 -3.341 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.879 11.028 -2.732 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.501 9.235 -2.024 1.00 0.00 C ATOM 0 H ILE A 942 14.386 11.746 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 942 11.844 11.047 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 942 12.898 11.706 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 942 12.150 8.979 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.693 9.678 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.893 10.570 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.472 12.036 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.256 10.432 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.920 8.235 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.287 9.925 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.720 9.215 -1.264 1.00 0.00 H new ATOM 440 N LEU A 943 12.064 14.062 -4.039 1.00 0.00 N ATOM 441 CA LEU A 943 11.394 15.353 -3.930 1.00 0.00 C ATOM 442 C LEU A 943 11.037 15.898 -5.309 1.00 0.00 C ATOM 443 O LEU A 943 9.946 16.432 -5.513 1.00 0.00 O ATOM 444 CB LEU A 943 12.284 16.351 -3.189 1.00 0.00 C ATOM 445 CG LEU A 943 12.173 16.347 -1.664 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.152 17.337 -1.054 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.749 16.668 -1.232 1.00 0.00 C ATOM 0 H LEU A 943 12.995 14.034 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 943 10.472 15.210 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.321 16.152 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 943 12.049 17.353 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 943 12.425 15.350 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.058 17.320 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.169 17.063 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.932 18.339 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.689 16.661 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.469 17.653 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 943 10.068 15.920 -1.638 1.00 0.00 H new ATOM 459 N ASP A 944 11.962 15.759 -6.252 1.00 0.00 N ATOM 460 CA ASP A 944 11.744 16.235 -7.613 1.00 0.00 C ATOM 461 C ASP A 944 10.729 15.358 -8.340 1.00 0.00 C ATOM 462 O ASP A 944 9.988 15.831 -9.202 1.00 0.00 O ATOM 463 CB ASP A 944 13.063 16.257 -8.386 1.00 0.00 C ATOM 464 CG ASP A 944 12.992 17.121 -9.630 1.00 0.00 C ATOM 465 OD1 ASP A 944 12.485 16.635 -10.662 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.444 18.284 -9.570 1.00 0.00 O ATOM 0 H ASP A 944 12.870 15.321 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 944 11.347 17.249 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.856 16.627 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.332 15.239 -8.669 1.00 0.00 H new ATOM 471 N PHE A 945 10.701 14.077 -7.986 1.00 0.00 N ATOM 472 CA PHE A 945 9.778 13.133 -8.606 1.00 0.00 C ATOM 473 C PHE A 945 8.331 13.492 -8.278 1.00 0.00 C ATOM 474 O PHE A 945 7.452 13.419 -9.137 1.00 0.00 O ATOM 475 CB PHE A 945 10.081 11.709 -8.136 1.00 0.00 C ATOM 476 CG PHE A 945 8.994 10.725 -8.465 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.801 10.730 -7.760 1.00 0.00 C ATOM 478 CD2 PHE A 945 9.165 9.797 -9.479 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.800 9.826 -8.060 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.167 8.890 -9.783 1.00 0.00 C ATOM 481 CZ PHE A 945 6.983 8.906 -9.074 1.00 0.00 C ATOM 0 H PHE A 945 11.306 13.669 -7.274 1.00 0.00 H new ATOM 0 HA PHE A 945 9.912 13.188 -9.686 1.00 0.00 H new ATOM 0 HB2 PHE A 945 11.013 11.375 -8.592 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.239 11.717 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.652 11.448 -6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 945 10.089 9.782 -10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.875 9.839 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.314 8.170 -10.574 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.201 8.200 -9.312 1.00 0.00 H new ATOM 491 N PHE A 946 8.092 13.878 -7.029 1.00 0.00 N ATOM 492 CA PHE A 946 6.753 14.247 -6.586 1.00 0.00 C ATOM 493 C PHE A 946 6.425 15.684 -6.982 1.00 0.00 C ATOM 494 O PHE A 946 5.399 16.232 -6.579 1.00 0.00 O ATOM 495 CB PHE A 946 6.631 14.084 -5.070 1.00 0.00 C ATOM 496 CG PHE A 946 6.355 12.672 -4.639 1.00 0.00 C ATOM 497 CD1 PHE A 946 5.069 12.157 -4.688 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.381 11.859 -4.184 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.812 10.858 -4.293 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.129 10.559 -3.788 1.00 0.00 C ATOM 501 CZ PHE A 946 5.843 10.058 -3.841 1.00 0.00 C ATOM 0 H PHE A 946 8.808 13.943 -6.306 1.00 0.00 H new ATOM 0 HA PHE A 946 6.040 13.582 -7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.554 14.425 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.831 14.729 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.258 12.778 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.388 12.245 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.806 10.469 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.938 9.935 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.644 9.043 -3.530 1.00 0.00 H new ATOM 511 N TYR A 947 7.304 16.288 -7.774 1.00 0.00 N ATOM 512 CA TYR A 947 7.111 17.661 -8.223 1.00 0.00 C ATOM 513 C TYR A 947 5.654 17.912 -8.599 1.00 0.00 C ATOM 514 O TYR A 947 4.951 17.006 -9.045 1.00 0.00 O ATOM 515 CB TYR A 947 8.017 17.962 -9.418 1.00 0.00 C ATOM 516 CG TYR A 947 7.779 19.324 -10.030 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.411 20.454 -9.524 1.00 0.00 C ATOM 518 CD2 TYR A 947 6.924 19.481 -11.114 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.197 21.700 -10.080 1.00 0.00 C ATOM 520 CE2 TYR A 947 6.705 20.724 -11.676 1.00 0.00 C ATOM 521 CZ TYR A 947 7.344 21.830 -11.156 1.00 0.00 C ATOM 522 OH TYR A 947 7.127 23.070 -11.713 1.00 0.00 O ATOM 0 H TYR A 947 8.157 15.848 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 947 7.374 18.325 -7.400 1.00 0.00 H new ATOM 0 HB2 TYR A 947 9.058 17.892 -9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.864 17.198 -10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.080 20.356 -8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.422 18.617 -11.524 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.695 22.568 -9.674 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.037 20.829 -12.518 1.00 0.00 H new ATOM 0 HH TYR A 947 6.501 22.987 -12.462 1.00 0.00 H new ATOM 532 N GLY A 948 5.206 19.150 -8.415 1.00 0.00 N ATOM 533 CA GLY A 948 3.836 19.500 -8.739 1.00 0.00 C ATOM 534 C GLY A 948 2.904 19.358 -7.552 1.00 0.00 C ATOM 535 O GLY A 948 2.026 20.194 -7.340 1.00 0.00 O ATOM 0 H GLY A 948 5.768 19.917 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.803 20.527 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.484 18.864 -9.551 1.00 0.00 H new ATOM 539 N TYR A 949 3.094 18.296 -6.777 1.00 0.00 N ATOM 540 CA TYR A 949 2.261 18.046 -5.606 1.00 0.00 C ATOM 541 C TYR A 949 2.942 18.546 -4.336 1.00 0.00 C ATOM 542 O TYR A 949 4.111 18.253 -4.089 1.00 0.00 O ATOM 543 CB TYR A 949 1.958 16.552 -5.481 1.00 0.00 C ATOM 544 CG TYR A 949 1.258 15.972 -6.690 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.117 16.098 -6.847 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.971 15.299 -7.674 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.761 15.570 -7.950 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.336 14.769 -8.780 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.030 14.907 -8.914 1.00 0.00 C ATOM 550 OH TYR A 949 -0.666 14.379 -10.013 1.00 0.00 O ATOM 0 H TYR A 949 3.817 17.595 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 949 1.326 18.591 -5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.891 16.013 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.338 16.388 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.692 16.617 -6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.040 15.188 -7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.830 15.676 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.906 14.249 -9.536 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.054 14.383 -10.779 1.00 0.00 H new ATOM 560 N GLN A 950 2.199 19.302 -3.533 1.00 0.00 N ATOM 561 CA GLN A 950 2.730 19.843 -2.288 1.00 0.00 C ATOM 562 C GLN A 950 2.956 18.735 -1.265 1.00 0.00 C ATOM 563 O GLN A 950 2.052 18.380 -0.509 1.00 0.00 O ATOM 564 CB GLN A 950 1.777 20.894 -1.717 1.00 0.00 C ATOM 565 CG GLN A 950 1.705 22.166 -2.547 1.00 0.00 C ATOM 566 CD GLN A 950 2.950 23.020 -2.415 1.00 0.00 C ATOM 567 OE1 GLN A 950 3.407 23.306 -1.308 1.00 0.00 O ATOM 568 NE2 GLN A 950 3.508 23.433 -3.547 1.00 0.00 N ATOM 0 H GLN A 950 1.229 19.553 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 950 3.689 20.312 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.779 20.463 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 950 2.093 21.148 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.558 21.904 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.836 22.747 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 950 3.096 23.173 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 950 4.348 24.010 -3.520 1.00 0.00 H new ATOM 577 N VAL A 951 4.169 18.191 -1.248 1.00 0.00 N ATOM 578 CA VAL A 951 4.515 17.123 -0.317 1.00 0.00 C ATOM 579 C VAL A 951 4.784 17.676 1.078 1.00 0.00 C ATOM 580 O VAL A 951 5.612 18.570 1.253 1.00 0.00 O ATOM 581 CB VAL A 951 5.752 16.340 -0.795 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.154 15.295 0.235 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.484 15.694 -2.146 1.00 0.00 C ATOM 0 H VAL A 951 4.928 18.472 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 951 3.660 16.448 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 951 6.581 17.039 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 951 7.030 14.752 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.390 15.786 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.331 14.597 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.369 15.145 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.642 15.007 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 951 5.249 16.466 -2.878 1.00 0.00 H new ATOM 593 N ILE A 952 4.081 17.137 2.068 1.00 0.00 N ATOM 594 CA ILE A 952 4.246 17.575 3.448 1.00 0.00 C ATOM 595 C ILE A 952 5.707 17.498 3.879 1.00 0.00 C ATOM 596 O ILE A 952 6.398 16.507 3.643 1.00 0.00 O ATOM 597 CB ILE A 952 3.393 16.730 4.413 1.00 0.00 C ATOM 598 CG1 ILE A 952 1.905 16.911 4.106 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.692 17.110 5.856 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.001 16.069 4.978 1.00 0.00 C ATOM 0 H ILE A 952 3.392 16.396 1.940 1.00 0.00 H new ATOM 0 HA ILE A 952 3.911 18.611 3.492 1.00 0.00 H new ATOM 0 HB ILE A 952 3.648 15.679 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.642 17.961 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.725 16.660 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.082 16.504 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 952 4.747 16.934 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.462 18.164 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 952 -0.039 16.249 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.237 15.014 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.152 16.336 6.024 1.00 0.00 H new ATOM 612 N PRO A 953 6.189 18.568 4.528 1.00 0.00 N ATOM 613 CA PRO A 953 7.572 18.646 5.008 1.00 0.00 C ATOM 614 C PRO A 953 7.836 17.698 6.173 1.00 0.00 C ATOM 615 O PRO A 953 6.951 17.439 6.987 1.00 0.00 O ATOM 616 CB PRO A 953 7.709 20.101 5.461 1.00 0.00 C ATOM 617 CG PRO A 953 6.321 20.527 5.794 1.00 0.00 C ATOM 618 CD PRO A 953 5.422 19.784 4.844 1.00 0.00 C ATOM 0 HA PRO A 953 8.287 18.356 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.367 20.186 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.135 20.722 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.077 20.289 6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.205 21.605 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.462 19.546 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.211 20.370 3.949 1.00 0.00 H new ATOM 626 N GLY A 954 9.059 17.182 6.246 1.00 0.00 N ATOM 627 CA GLY A 954 9.417 16.269 7.315 1.00 0.00 C ATOM 628 C GLY A 954 8.693 14.941 7.210 1.00 0.00 C ATOM 629 O GLY A 954 8.749 14.121 8.126 1.00 0.00 O ATOM 0 H GLY A 954 9.809 17.380 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.493 16.095 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.186 16.730 8.275 1.00 0.00 H new ATOM 633 N SER A 955 8.009 14.729 6.090 1.00 0.00 N ATOM 634 CA SER A 955 7.266 13.493 5.871 1.00 0.00 C ATOM 635 C SER A 955 8.117 12.473 5.122 1.00 0.00 C ATOM 636 O SER A 955 8.322 11.353 5.592 1.00 0.00 O ATOM 637 CB SER A 955 5.983 13.777 5.087 1.00 0.00 C ATOM 638 OG SER A 955 5.366 14.972 5.534 1.00 0.00 O ATOM 0 H SER A 955 7.954 15.396 5.321 1.00 0.00 H new ATOM 0 HA SER A 955 7.005 13.078 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 955 6.213 13.858 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.291 12.942 5.201 1.00 0.00 H new ATOM 0 HG SER A 955 4.901 14.803 6.380 1.00 0.00 H new ATOM 644 N VAL A 956 8.612 12.868 3.953 1.00 0.00 N ATOM 645 CA VAL A 956 9.442 11.989 3.138 1.00 0.00 C ATOM 646 C VAL A 956 10.408 11.187 4.004 1.00 0.00 C ATOM 647 O VAL A 956 11.474 11.676 4.379 1.00 0.00 O ATOM 648 CB VAL A 956 10.247 12.786 2.094 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.064 11.848 1.219 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.318 13.644 1.248 1.00 0.00 C ATOM 0 H VAL A 956 8.452 13.791 3.549 1.00 0.00 H new ATOM 0 HA VAL A 956 8.768 11.306 2.622 1.00 0.00 H new ATOM 0 HB VAL A 956 10.937 13.446 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 956 11.626 12.429 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.757 11.281 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.396 11.160 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 956 9.903 14.200 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 956 8.603 13.005 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 956 8.782 14.343 1.891 1.00 0.00 H new ATOM 660 N CYS A 957 10.028 9.953 4.317 1.00 0.00 N ATOM 661 CA CYS A 957 10.860 9.082 5.139 1.00 0.00 C ATOM 662 C CYS A 957 11.418 7.926 4.315 1.00 0.00 C ATOM 663 O CYS A 957 10.675 7.231 3.619 1.00 0.00 O ATOM 664 CB CYS A 957 10.056 8.541 6.321 1.00 0.00 C ATOM 665 SG CYS A 957 11.055 8.150 7.777 1.00 0.00 S ATOM 0 H CYS A 957 9.149 9.533 4.014 1.00 0.00 H new ATOM 0 HA CYS A 957 11.696 9.671 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.300 9.276 6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.526 7.642 6.005 1.00 0.00 H new ATOM 0 HG CYS A 957 10.285 7.702 8.724 1.00 0.00 H new ATOM 671 N LEU A 958 12.728 7.727 4.396 1.00 0.00 N ATOM 672 CA LEU A 958 13.386 6.655 3.656 1.00 0.00 C ATOM 673 C LEU A 958 13.536 5.408 4.522 1.00 0.00 C ATOM 674 O LEU A 958 13.857 5.496 5.707 1.00 0.00 O ATOM 675 CB LEU A 958 14.760 7.116 3.165 1.00 0.00 C ATOM 676 CG LEU A 958 14.758 8.111 2.004 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.105 8.809 1.896 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.414 7.408 0.699 1.00 0.00 C ATOM 0 H LEU A 958 13.356 8.293 4.966 1.00 0.00 H new ATOM 0 HA LEU A 958 12.764 6.406 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.291 7.567 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.330 6.237 2.863 1.00 0.00 H new ATOM 0 HG LEU A 958 13.996 8.865 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.084 9.513 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.311 9.347 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.886 8.068 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.417 8.132 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.153 6.632 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.425 6.956 0.779 1.00 0.00 H new ATOM 690 N LYS A 959 13.302 4.246 3.921 1.00 0.00 N ATOM 691 CA LYS A 959 13.414 2.979 4.634 1.00 0.00 C ATOM 692 C LYS A 959 14.805 2.377 4.460 1.00 0.00 C ATOM 693 O LYS A 959 15.318 2.290 3.345 1.00 0.00 O ATOM 694 CB LYS A 959 12.354 1.994 4.136 1.00 0.00 C ATOM 695 CG LYS A 959 11.949 0.960 5.172 1.00 0.00 C ATOM 696 CD LYS A 959 10.644 0.278 4.798 1.00 0.00 C ATOM 697 CE LYS A 959 10.152 -0.632 5.913 1.00 0.00 C ATOM 698 NZ LYS A 959 9.266 -1.712 5.397 1.00 0.00 N ATOM 0 H LYS A 959 13.033 4.156 2.941 1.00 0.00 H new ATOM 0 HA LYS A 959 13.252 3.172 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.470 2.551 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.734 1.481 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 959 12.737 0.213 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 959 11.844 1.440 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 959 9.887 1.032 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.784 -0.304 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.007 -1.076 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 959 9.611 -0.041 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 8.311 -1.595 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.221 -1.658 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 9.646 -2.638 5.680 1.00 0.00 H new ATOM 712 N TYR A 960 15.408 1.963 5.568 1.00 0.00 N ATOM 713 CA TYR A 960 16.740 1.370 5.538 1.00 0.00 C ATOM 714 C TYR A 960 16.696 -0.091 5.975 1.00 0.00 C ATOM 715 O TYR A 960 15.748 -0.527 6.627 1.00 0.00 O ATOM 716 CB TYR A 960 17.692 2.156 6.441 1.00 0.00 C ATOM 717 CG TYR A 960 17.882 3.594 6.014 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.563 3.907 4.845 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.383 4.639 6.782 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.740 5.220 4.451 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.554 5.954 6.395 1.00 0.00 C ATOM 722 CZ TYR A 960 18.234 6.239 5.229 1.00 0.00 C ATOM 723 OH TYR A 960 18.408 7.548 4.841 1.00 0.00 O ATOM 0 H TYR A 960 14.996 2.027 6.499 1.00 0.00 H new ATOM 0 HA TYR A 960 17.106 1.412 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.310 2.136 7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.662 1.658 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.961 3.111 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.853 4.419 7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.272 5.446 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 960 17.158 6.755 7.002 1.00 0.00 H new ATOM 0 HH TYR A 960 17.990 8.142 5.499 1.00 0.00 H new ATOM 733 N ASN A 961 17.730 -0.842 5.612 1.00 0.00 N ATOM 734 CA ASN A 961 17.811 -2.254 5.966 1.00 0.00 C ATOM 735 C ASN A 961 18.715 -2.461 7.177 1.00 0.00 C ATOM 736 O ASN A 961 19.213 -1.500 7.763 1.00 0.00 O ATOM 737 CB ASN A 961 18.333 -3.070 4.781 1.00 0.00 C ATOM 738 CG ASN A 961 19.843 -3.209 4.795 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.541 -2.080 4.836 1.00 0.00 O flip ATOM 740 ND2 ASN A 961 20.376 -4.319 4.770 1.00 0.00 N flip ATOM 0 H ASN A 961 18.524 -0.496 5.073 1.00 0.00 H new ATOM 0 HA ASN A 961 16.808 -2.596 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 961 17.880 -4.061 4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 961 18.023 -2.594 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 961 19.800 -5.161 4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 961 21.393 -4.397 4.781 1.00 0.00 H new ATOM 747 N GLU A 962 18.923 -3.721 7.546 1.00 0.00 N ATOM 748 CA GLU A 962 19.768 -4.052 8.688 1.00 0.00 C ATOM 749 C GLU A 962 21.149 -3.419 8.545 1.00 0.00 C ATOM 750 O GLU A 962 21.664 -2.808 9.482 1.00 0.00 O ATOM 751 CB GLU A 962 19.903 -5.570 8.827 1.00 0.00 C ATOM 752 CG GLU A 962 20.544 -6.237 7.622 1.00 0.00 C ATOM 753 CD GLU A 962 20.542 -7.750 7.722 1.00 0.00 C ATOM 754 OE1 GLU A 962 19.527 -8.369 7.341 1.00 0.00 O ATOM 755 OE2 GLU A 962 21.557 -8.315 8.182 1.00 0.00 O ATOM 0 H GLU A 962 18.519 -4.528 7.072 1.00 0.00 H new ATOM 0 HA GLU A 962 19.295 -3.652 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.496 -5.794 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.915 -6.001 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 962 20.012 -5.936 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.570 -5.885 7.520 1.00 0.00 H new ATOM 762 N LYS A 963 21.743 -3.569 7.367 1.00 0.00 N ATOM 763 CA LYS A 963 23.064 -3.013 7.099 1.00 0.00 C ATOM 764 C LYS A 963 23.025 -1.488 7.112 1.00 0.00 C ATOM 765 O LYS A 963 24.036 -0.833 7.361 1.00 0.00 O ATOM 766 CB LYS A 963 23.585 -3.508 5.748 1.00 0.00 C ATOM 767 CG LYS A 963 24.245 -4.874 5.814 1.00 0.00 C ATOM 768 CD LYS A 963 25.720 -4.764 6.164 1.00 0.00 C ATOM 769 CE LYS A 963 25.930 -4.664 7.668 1.00 0.00 C ATOM 770 NZ LYS A 963 27.293 -5.110 8.068 1.00 0.00 N ATOM 0 H LYS A 963 21.330 -4.072 6.581 1.00 0.00 H new ATOM 0 HA LYS A 963 23.738 -3.349 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.756 -3.548 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.302 -2.786 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.738 -5.488 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 963 24.134 -5.379 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 963 26.252 -5.633 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 963 26.146 -3.887 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 963 25.776 -3.634 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 963 25.184 -5.272 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 27.397 -5.027 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 27.431 -6.101 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 28.005 -4.514 7.599 1.00 0.00 H new ATOM 784 N GLY A 964 21.849 -0.928 6.844 1.00 0.00 N ATOM 785 CA GLY A 964 21.700 0.515 6.832 1.00 0.00 C ATOM 786 C GLY A 964 21.309 1.046 5.467 1.00 0.00 C ATOM 787 O GLY A 964 20.653 2.083 5.362 1.00 0.00 O ATOM 0 H GLY A 964 20.997 -1.448 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.944 0.805 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.637 0.977 7.143 1.00 0.00 H new ATOM 791 N MET A 965 21.713 0.336 4.419 1.00 0.00 N ATOM 792 CA MET A 965 21.401 0.743 3.054 1.00 0.00 C ATOM 793 C MET A 965 19.894 0.859 2.853 1.00 0.00 C ATOM 794 O MET A 965 19.100 0.208 3.533 1.00 0.00 O ATOM 795 CB MET A 965 21.985 -0.258 2.055 1.00 0.00 C ATOM 796 CG MET A 965 21.036 -1.392 1.705 1.00 0.00 C ATOM 797 SD MET A 965 21.725 -2.522 0.481 1.00 0.00 S ATOM 798 CE MET A 965 22.793 -3.526 1.510 1.00 0.00 C ATOM 0 H MET A 965 22.257 -0.524 4.489 1.00 0.00 H new ATOM 0 HA MET A 965 21.849 1.721 2.881 1.00 0.00 H new ATOM 0 HB2 MET A 965 22.259 0.270 1.142 1.00 0.00 H new ATOM 0 HB3 MET A 965 22.902 -0.677 2.468 1.00 0.00 H new ATOM 0 HG2 MET A 965 20.791 -1.948 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 965 20.103 -0.976 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 965 23.292 -4.275 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 965 23.540 -2.892 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 965 22.198 -4.023 2.276 1.00 0.00 H new ATOM 808 N PRO A 966 19.487 1.708 1.897 1.00 0.00 N ATOM 809 CA PRO A 966 18.072 1.929 1.584 1.00 0.00 C ATOM 810 C PRO A 966 17.429 0.717 0.918 1.00 0.00 C ATOM 811 O PRO A 966 17.956 0.178 -0.056 1.00 0.00 O ATOM 812 CB PRO A 966 18.103 3.116 0.618 1.00 0.00 C ATOM 813 CG PRO A 966 19.454 3.059 -0.008 1.00 0.00 C ATOM 814 CD PRO A 966 20.377 2.517 1.048 1.00 0.00 C ATOM 0 HA PRO A 966 17.480 2.108 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.316 3.037 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 966 17.950 4.058 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.449 2.417 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 966 19.774 4.048 -0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.175 1.915 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 966 20.854 3.317 1.614 1.00 0.00 H new ATOM 822 N THR A 967 16.287 0.291 1.450 1.00 0.00 N ATOM 823 CA THR A 967 15.573 -0.858 0.907 1.00 0.00 C ATOM 824 C THR A 967 14.688 -0.451 -0.265 1.00 0.00 C ATOM 825 O THR A 967 13.677 -1.094 -0.544 1.00 0.00 O ATOM 826 CB THR A 967 14.703 -1.537 1.982 1.00 0.00 C ATOM 827 OG1 THR A 967 13.845 -0.571 2.600 1.00 0.00 O ATOM 828 CG2 THR A 967 15.571 -2.202 3.039 1.00 0.00 C ATOM 0 H THR A 967 15.837 0.725 2.256 1.00 0.00 H new ATOM 0 HA THR A 967 16.327 -1.565 0.561 1.00 0.00 H new ATOM 0 HB THR A 967 14.097 -2.303 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.294 -1.011 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.935 -2.675 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.202 -2.957 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.199 -1.452 3.519 1.00 0.00 H new ATOM 836 N GLY A 968 15.075 0.621 -0.949 1.00 0.00 N ATOM 837 CA GLY A 968 14.304 1.094 -2.085 1.00 0.00 C ATOM 838 C GLY A 968 12.861 1.384 -1.725 1.00 0.00 C ATOM 839 O GLY A 968 11.962 1.199 -2.546 1.00 0.00 O ATOM 0 H GLY A 968 15.908 1.170 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.765 1.998 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.334 0.346 -2.878 1.00 0.00 H new ATOM 843 N GLU A 969 12.637 1.836 -0.496 1.00 0.00 N ATOM 844 CA GLU A 969 11.291 2.149 -0.030 1.00 0.00 C ATOM 845 C GLU A 969 11.238 3.545 0.583 1.00 0.00 C ATOM 846 O GLU A 969 12.212 4.015 1.169 1.00 0.00 O ATOM 847 CB GLU A 969 10.829 1.112 0.996 1.00 0.00 C ATOM 848 CG GLU A 969 10.398 -0.207 0.377 1.00 0.00 C ATOM 849 CD GLU A 969 10.288 -1.323 1.398 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.284 -1.350 2.140 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.205 -2.168 1.454 1.00 0.00 O ATOM 0 H GLU A 969 13.370 1.994 0.195 1.00 0.00 H new ATOM 0 HA GLU A 969 10.621 2.123 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.639 0.925 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.997 1.524 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.435 -0.075 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.114 -0.494 -0.393 1.00 0.00 H new ATOM 858 N ALA A 970 10.092 4.204 0.442 1.00 0.00 N ATOM 859 CA ALA A 970 9.910 5.545 0.982 1.00 0.00 C ATOM 860 C ALA A 970 8.451 5.797 1.346 1.00 0.00 C ATOM 861 O ALA A 970 7.542 5.282 0.697 1.00 0.00 O ATOM 862 CB ALA A 970 10.394 6.586 -0.017 1.00 0.00 C ATOM 0 H ALA A 970 9.276 3.830 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 970 10.504 5.627 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.252 7.583 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.452 6.427 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 970 9.825 6.495 -0.942 1.00 0.00 H new ATOM 868 N MET A 971 8.235 6.592 2.389 1.00 0.00 N ATOM 869 CA MET A 971 6.886 6.912 2.839 1.00 0.00 C ATOM 870 C MET A 971 6.659 8.420 2.848 1.00 0.00 C ATOM 871 O MET A 971 7.554 9.190 3.197 1.00 0.00 O ATOM 872 CB MET A 971 6.642 6.339 4.237 1.00 0.00 C ATOM 873 CG MET A 971 6.229 4.876 4.231 1.00 0.00 C ATOM 874 SD MET A 971 6.424 4.093 5.843 1.00 0.00 S ATOM 875 CE MET A 971 4.746 3.550 6.161 1.00 0.00 C ATOM 0 H MET A 971 8.977 7.026 2.938 1.00 0.00 H new ATOM 0 HA MET A 971 6.181 6.461 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.550 6.449 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.867 6.925 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.188 4.798 3.917 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.826 4.337 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.704 3.045 7.126 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.080 4.413 6.173 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.432 2.861 5.377 1.00 0.00 H new ATOM 885 N VAL A 972 5.457 8.836 2.463 1.00 0.00 N ATOM 886 CA VAL A 972 5.112 10.252 2.427 1.00 0.00 C ATOM 887 C VAL A 972 3.696 10.486 2.939 1.00 0.00 C ATOM 888 O VAL A 972 2.903 9.552 3.051 1.00 0.00 O ATOM 889 CB VAL A 972 5.232 10.824 1.002 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.628 10.584 0.446 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.176 10.213 0.093 1.00 0.00 C ATOM 0 H VAL A 972 4.705 8.212 2.171 1.00 0.00 H new ATOM 0 HA VAL A 972 5.820 10.766 3.077 1.00 0.00 H new ATOM 0 HB VAL A 972 5.064 11.900 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.694 10.995 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.363 11.072 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 972 6.828 9.513 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.275 10.628 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.311 9.132 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.184 10.440 0.484 1.00 0.00 H new ATOM 901 N ALA A 973 3.384 11.741 3.249 1.00 0.00 N ATOM 902 CA ALA A 973 2.062 12.099 3.747 1.00 0.00 C ATOM 903 C ALA A 973 1.475 13.264 2.958 1.00 0.00 C ATOM 904 O ALA A 973 2.208 14.100 2.430 1.00 0.00 O ATOM 905 CB ALA A 973 2.131 12.443 5.228 1.00 0.00 C ATOM 0 H ALA A 973 4.029 12.526 3.164 1.00 0.00 H new ATOM 0 HA ALA A 973 1.406 11.238 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.136 12.708 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.500 11.581 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.806 13.286 5.375 1.00 0.00 H new ATOM 911 N PHE A 974 0.149 13.313 2.882 1.00 0.00 N ATOM 912 CA PHE A 974 -0.536 14.375 2.155 1.00 0.00 C ATOM 913 C PHE A 974 -1.600 15.033 3.029 1.00 0.00 C ATOM 914 O PHE A 974 -2.205 14.384 3.882 1.00 0.00 O ATOM 915 CB PHE A 974 -1.178 13.820 0.882 1.00 0.00 C ATOM 916 CG PHE A 974 -0.225 13.722 -0.276 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.747 12.736 -0.309 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.303 14.617 -1.331 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.625 12.644 -1.372 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.572 14.530 -2.397 1.00 0.00 C ATOM 921 CZ PHE A 974 1.537 13.542 -2.418 1.00 0.00 C ATOM 0 H PHE A 974 -0.472 12.630 3.315 1.00 0.00 H new ATOM 0 HA PHE A 974 0.203 15.129 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.586 12.831 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -2.016 14.457 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.820 12.031 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -1.056 15.391 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.379 11.871 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.501 15.234 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.221 13.472 -3.251 1.00 0.00 H new ATOM 931 N GLU A 975 -1.822 16.325 2.809 1.00 0.00 N ATOM 932 CA GLU A 975 -2.812 17.071 3.578 1.00 0.00 C ATOM 933 C GLU A 975 -4.227 16.723 3.125 1.00 0.00 C ATOM 934 O GLU A 975 -5.152 16.664 3.934 1.00 0.00 O ATOM 935 CB GLU A 975 -2.574 18.576 3.434 1.00 0.00 C ATOM 936 CG GLU A 975 -1.209 19.026 3.927 1.00 0.00 C ATOM 937 CD GLU A 975 -0.908 20.470 3.574 1.00 0.00 C ATOM 938 OE1 GLU A 975 -0.670 20.752 2.382 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.911 21.317 4.492 1.00 0.00 O ATOM 0 H GLU A 975 -1.331 16.876 2.106 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.706 16.792 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.682 18.854 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.346 19.112 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -1.159 18.902 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.441 18.383 3.497 1.00 0.00 H new ATOM 946 N SER A 976 -4.387 16.495 1.825 1.00 0.00 N ATOM 947 CA SER A 976 -5.689 16.158 1.263 1.00 0.00 C ATOM 948 C SER A 976 -5.679 14.749 0.677 1.00 0.00 C ATOM 949 O SER A 976 -4.749 14.367 -0.033 1.00 0.00 O ATOM 950 CB SER A 976 -6.079 17.169 0.183 1.00 0.00 C ATOM 951 OG SER A 976 -7.446 17.038 -0.169 1.00 0.00 O ATOM 0 H SER A 976 -3.631 16.538 1.142 1.00 0.00 H new ATOM 0 HA SER A 976 -6.425 16.194 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.888 18.181 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 976 -5.457 17.021 -0.700 1.00 0.00 H new ATOM 0 HG SER A 976 -7.671 17.696 -0.859 1.00 0.00 H new ATOM 957 N ARG A 977 -6.721 13.982 0.980 1.00 0.00 N ATOM 958 CA ARG A 977 -6.833 12.615 0.486 1.00 0.00 C ATOM 959 C ARG A 977 -6.877 12.590 -1.039 1.00 0.00 C ATOM 960 O ARG A 977 -6.277 11.723 -1.674 1.00 0.00 O ATOM 961 CB ARG A 977 -8.086 11.946 1.054 1.00 0.00 C ATOM 962 CG ARG A 977 -8.241 10.492 0.638 1.00 0.00 C ATOM 963 CD ARG A 977 -9.324 9.794 1.446 1.00 0.00 C ATOM 964 NE ARG A 977 -10.663 10.109 0.954 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.172 9.605 -0.164 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.458 8.766 -0.902 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.398 9.939 -0.546 1.00 0.00 N ATOM 0 H ARG A 977 -7.500 14.284 1.565 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.953 12.063 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.057 12.003 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.964 12.504 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.486 10.440 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.293 9.971 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.168 8.716 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.243 10.090 2.492 1.00 0.00 H new ATOM 0 HE ARG A 977 -11.238 10.751 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -9.515 8.506 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.851 8.380 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.951 10.584 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.788 9.551 -1.405 1.00 0.00 H new ATOM 981 N ASP A 978 -7.592 13.548 -1.621 1.00 0.00 N ATOM 982 CA ASP A 978 -7.714 13.637 -3.071 1.00 0.00 C ATOM 983 C ASP A 978 -6.351 13.864 -3.718 1.00 0.00 C ATOM 984 O ASP A 978 -6.037 13.271 -4.750 1.00 0.00 O ATOM 985 CB ASP A 978 -8.670 14.767 -3.456 1.00 0.00 C ATOM 986 CG ASP A 978 -10.125 14.364 -3.324 1.00 0.00 C ATOM 987 OD1 ASP A 978 -10.455 13.641 -2.361 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.934 14.772 -4.184 1.00 0.00 O ATOM 0 H ASP A 978 -8.095 14.273 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.116 12.692 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -8.477 15.634 -2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.472 15.072 -4.484 1.00 0.00 H new ATOM 993 N GLU A 979 -5.547 14.728 -3.106 1.00 0.00 N ATOM 994 CA GLU A 979 -4.219 15.034 -3.624 1.00 0.00 C ATOM 995 C GLU A 979 -3.334 13.791 -3.623 1.00 0.00 C ATOM 996 O GLU A 979 -2.639 13.510 -4.599 1.00 0.00 O ATOM 997 CB GLU A 979 -3.565 16.140 -2.792 1.00 0.00 C ATOM 998 CG GLU A 979 -3.867 17.541 -3.298 1.00 0.00 C ATOM 999 CD GLU A 979 -3.777 18.587 -2.204 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.657 19.070 -1.935 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.827 18.924 -1.618 1.00 0.00 O ATOM 0 H GLU A 979 -5.792 15.228 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.329 15.379 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.904 16.055 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.485 15.989 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.169 17.794 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -4.867 17.559 -3.732 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.366 13.050 -2.520 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.569 11.837 -2.391 1.00 0.00 C ATOM 1010 C ALA A 980 -2.903 10.841 -3.496 1.00 0.00 C ATOM 1011 O ALA A 980 -2.011 10.311 -4.160 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.787 11.205 -1.024 1.00 0.00 C ATOM 0 H ALA A 980 -3.936 13.269 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.518 12.110 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.185 10.300 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.491 11.909 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.841 10.953 -0.904 1.00 0.00 H new ATOM 1018 N THR A 981 -4.194 10.589 -3.689 1.00 0.00 N ATOM 1019 CA THR A 981 -4.646 9.654 -4.712 1.00 0.00 C ATOM 1020 C THR A 981 -4.257 10.135 -6.106 1.00 0.00 C ATOM 1021 O THR A 981 -3.788 9.355 -6.933 1.00 0.00 O ATOM 1022 CB THR A 981 -6.172 9.456 -4.657 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.598 9.302 -3.299 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.589 8.237 -5.466 1.00 0.00 C ATOM 0 H THR A 981 -4.945 11.020 -3.150 1.00 0.00 H new ATOM 0 HA THR A 981 -4.156 8.702 -4.509 1.00 0.00 H new ATOM 0 HB THR A 981 -6.646 10.338 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 981 -6.613 10.178 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.671 8.117 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.290 8.371 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.105 7.348 -5.061 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.455 11.425 -6.358 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.122 12.010 -7.651 1.00 0.00 C ATOM 1034 C ALA A 982 -2.634 11.864 -7.953 1.00 0.00 C ATOM 1035 O ALA A 982 -2.250 11.480 -9.057 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.528 13.476 -7.687 1.00 0.00 C ATOM 0 H ALA A 982 -4.844 12.084 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.677 11.471 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.273 13.900 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.603 13.560 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.999 14.019 -6.904 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.801 12.173 -6.965 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.356 12.075 -7.125 1.00 0.00 C ATOM 1044 C ALA A 983 0.070 10.636 -7.397 1.00 0.00 C ATOM 1045 O ALA A 983 0.977 10.386 -8.190 1.00 0.00 O ATOM 1046 CB ALA A 983 0.350 12.612 -5.888 1.00 0.00 C ATOM 0 H ALA A 983 -2.103 12.493 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.069 12.680 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.429 12.533 -6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.079 13.657 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.049 12.031 -5.016 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.591 9.693 -6.733 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.281 8.279 -6.903 1.00 0.00 C ATOM 1054 C VAL A 984 -0.617 7.808 -8.314 1.00 0.00 C ATOM 1055 O VAL A 984 0.203 7.177 -8.981 1.00 0.00 O ATOM 1056 CB VAL A 984 -1.047 7.410 -5.888 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.756 5.935 -6.121 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.691 7.814 -4.466 1.00 0.00 C ATOM 0 H VAL A 984 -1.345 9.883 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 984 0.790 8.167 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.115 7.572 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.306 5.337 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.066 5.658 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.313 5.753 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.241 7.190 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.379 7.683 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.956 8.859 -4.308 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.828 8.121 -8.763 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.272 7.732 -10.096 1.00 0.00 C ATOM 1070 C ILE A 985 -1.384 8.347 -11.172 1.00 0.00 C ATOM 1071 O ILE A 985 -0.943 7.660 -12.094 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.732 8.153 -10.348 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.655 7.522 -9.304 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.162 7.757 -11.752 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.945 8.285 -9.098 1.00 0.00 C ATOM 0 H ILE A 985 -2.519 8.643 -8.224 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.202 6.645 -10.148 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.803 9.237 -10.260 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.890 6.502 -9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.125 7.457 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.196 8.061 -11.915 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.519 8.249 -12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.079 6.676 -11.867 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.550 7.780 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.719 9.298 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.497 8.327 -10.037 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.125 9.644 -11.048 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.287 10.351 -12.009 1.00 0.00 C ATOM 1089 C ASP A 986 1.177 9.950 -11.853 1.00 0.00 C ATOM 1090 O ASP A 986 1.976 10.106 -12.777 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.435 11.863 -11.831 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.567 12.435 -12.662 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.626 11.780 -12.752 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.392 13.538 -13.223 1.00 0.00 O ATOM 0 H ASP A 986 -1.483 10.227 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.616 10.076 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.611 12.087 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.499 12.352 -12.109 1.00 0.00 H new ATOM 1099 N LEU A 987 1.521 9.433 -10.678 1.00 0.00 N ATOM 1100 CA LEU A 987 2.889 9.010 -10.400 1.00 0.00 C ATOM 1101 C LEU A 987 2.943 7.520 -10.075 1.00 0.00 C ATOM 1102 O LEU A 987 3.832 7.063 -9.359 1.00 0.00 O ATOM 1103 CB LEU A 987 3.468 9.818 -9.238 1.00 0.00 C ATOM 1104 CG LEU A 987 3.255 11.331 -9.301 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.365 11.944 -7.913 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.258 11.971 -10.249 1.00 0.00 C ATOM 0 H LEU A 987 0.872 9.297 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 987 3.487 9.190 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.031 9.448 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.539 9.624 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 987 2.252 11.522 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.211 13.021 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.608 11.507 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.355 11.743 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.092 13.048 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.270 11.770 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.132 11.554 -11.248 1.00 0.00 H new ATOM 1118 N ASN A 988 1.986 6.768 -10.609 1.00 0.00 N ATOM 1119 CA ASN A 988 1.925 5.330 -10.378 1.00 0.00 C ATOM 1120 C ASN A 988 2.697 4.572 -11.454 1.00 0.00 C ATOM 1121 O ASN A 988 2.501 4.799 -12.648 1.00 0.00 O ATOM 1122 CB ASN A 988 0.470 4.858 -10.350 1.00 0.00 C ATOM 1123 CG ASN A 988 0.332 3.388 -10.697 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.174 3.026 -11.863 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.391 2.533 -9.683 1.00 0.00 N ATOM 0 H ASN A 988 1.242 7.131 -11.205 1.00 0.00 H new ATOM 0 HA ASN A 988 2.386 5.123 -9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.052 5.035 -9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.115 5.451 -11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.304 1.531 -9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.523 2.878 -8.732 1.00 0.00 H new ATOM 1132 N ASP A 989 3.573 3.672 -11.023 1.00 0.00 N ATOM 1133 CA ASP A 989 4.374 2.879 -11.949 1.00 0.00 C ATOM 1134 C ASP A 989 5.249 3.778 -12.816 1.00 0.00 C ATOM 1135 O ASP A 989 5.392 3.549 -14.018 1.00 0.00 O ATOM 1136 CB ASP A 989 3.468 2.021 -12.833 1.00 0.00 C ATOM 1137 CG ASP A 989 3.085 0.712 -12.171 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.978 0.055 -11.595 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.893 0.343 -12.230 1.00 0.00 O ATOM 0 H ASP A 989 3.747 3.473 -10.038 1.00 0.00 H new ATOM 0 HA ASP A 989 5.022 2.226 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.564 2.581 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 989 3.975 1.814 -13.775 1.00 0.00 H new ATOM 1144 N ARG A 990 5.833 4.800 -12.200 1.00 0.00 N ATOM 1145 CA ARG A 990 6.693 5.735 -12.917 1.00 0.00 C ATOM 1146 C ARG A 990 8.116 5.193 -13.021 1.00 0.00 C ATOM 1147 O ARG A 990 8.713 4.755 -12.038 1.00 0.00 O ATOM 1148 CB ARG A 990 6.703 7.093 -12.214 1.00 0.00 C ATOM 1149 CG ARG A 990 5.621 8.041 -12.705 1.00 0.00 C ATOM 1150 CD ARG A 990 6.044 9.494 -12.558 1.00 0.00 C ATOM 1151 NE ARG A 990 7.012 9.889 -13.577 1.00 0.00 N ATOM 1152 CZ ARG A 990 7.561 11.096 -13.641 1.00 0.00 C ATOM 1153 NH1 ARG A 990 7.239 12.023 -12.749 1.00 0.00 N ATOM 1154 NH2 ARG A 990 8.435 11.379 -14.599 1.00 0.00 N ATOM 0 H ARG A 990 5.727 5.002 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 990 6.295 5.858 -13.924 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.580 6.939 -11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.677 7.560 -12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.398 7.830 -13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.703 7.870 -12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.165 10.136 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.476 9.647 -11.569 1.00 0.00 H new ATOM 0 HE ARG A 990 7.281 9.199 -14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 990 6.568 11.809 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 990 7.663 12.949 -12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.685 10.669 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 990 8.856 12.307 -14.647 1.00 0.00 H new ATOM 1168 N PRO A 991 8.672 5.223 -14.241 1.00 0.00 N ATOM 1169 CA PRO A 991 10.031 4.740 -14.503 1.00 0.00 C ATOM 1170 C PRO A 991 11.096 5.641 -13.888 1.00 0.00 C ATOM 1171 O PRO A 991 11.640 6.520 -14.557 1.00 0.00 O ATOM 1172 CB PRO A 991 10.128 4.764 -16.031 1.00 0.00 C ATOM 1173 CG PRO A 991 9.141 5.796 -16.457 1.00 0.00 C ATOM 1174 CD PRO A 991 8.018 5.732 -15.459 1.00 0.00 C ATOM 0 HA PRO A 991 10.205 3.757 -14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.135 5.020 -16.360 1.00 0.00 H new ATOM 0 HB3 PRO A 991 9.891 3.790 -16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.594 6.787 -16.471 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.779 5.597 -17.466 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.570 6.712 -15.295 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.220 5.069 -15.794 1.00 0.00 H new ATOM 1182 N ILE A 992 11.389 5.417 -12.611 1.00 0.00 N ATOM 1183 CA ILE A 992 12.390 6.208 -11.908 1.00 0.00 C ATOM 1184 C ILE A 992 13.793 5.661 -12.149 1.00 0.00 C ATOM 1185 O ILE A 992 14.037 4.464 -12.005 1.00 0.00 O ATOM 1186 CB ILE A 992 12.118 6.241 -10.392 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.951 7.180 -10.081 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.367 6.673 -9.639 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.765 7.446 -8.604 1.00 0.00 C ATOM 0 H ILE A 992 10.947 4.694 -12.043 1.00 0.00 H new ATOM 0 HA ILE A 992 12.325 7.222 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 992 11.849 5.237 -10.065 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.111 8.128 -10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.033 6.751 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.159 6.691 -8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.175 5.969 -9.839 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.664 7.669 -9.968 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.920 8.119 -8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.573 6.506 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.668 7.905 -8.200 1.00 0.00 H new ATOM 1201 N GLY A 993 14.713 6.548 -12.516 1.00 0.00 N ATOM 1202 CA GLY A 993 16.081 6.136 -12.770 1.00 0.00 C ATOM 1203 C GLY A 993 16.173 5.052 -13.826 1.00 0.00 C ATOM 1204 O GLY A 993 16.208 5.342 -15.022 1.00 0.00 O ATOM 0 H GLY A 993 14.535 7.544 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.664 7.000 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.527 5.775 -11.843 1.00 0.00 H new ATOM 1208 N SER A 994 16.214 3.799 -13.383 1.00 0.00 N ATOM 1209 CA SER A 994 16.309 2.668 -14.299 1.00 0.00 C ATOM 1210 C SER A 994 15.240 1.625 -13.985 1.00 0.00 C ATOM 1211 O SER A 994 15.144 0.598 -14.658 1.00 0.00 O ATOM 1212 CB SER A 994 17.698 2.032 -14.216 1.00 0.00 C ATOM 1213 OG SER A 994 17.895 1.098 -15.263 1.00 0.00 O ATOM 0 H SER A 994 16.183 3.542 -12.396 1.00 0.00 H new ATOM 0 HA SER A 994 16.147 3.037 -15.312 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.461 2.809 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.817 1.534 -13.254 1.00 0.00 H new ATOM 0 HG SER A 994 17.066 0.598 -15.416 1.00 0.00 H new ATOM 1219 N ARG A 995 14.441 1.896 -12.959 1.00 0.00 N ATOM 1220 CA ARG A 995 13.380 0.981 -12.554 1.00 0.00 C ATOM 1221 C ARG A 995 12.076 1.735 -12.308 1.00 0.00 C ATOM 1222 O ARG A 995 12.071 2.958 -12.162 1.00 0.00 O ATOM 1223 CB ARG A 995 13.788 0.220 -11.292 1.00 0.00 C ATOM 1224 CG ARG A 995 15.226 -0.269 -11.313 1.00 0.00 C ATOM 1225 CD ARG A 995 15.490 -1.273 -10.202 1.00 0.00 C ATOM 1226 NE ARG A 995 14.796 -2.538 -10.432 1.00 0.00 N ATOM 1227 CZ ARG A 995 14.911 -3.594 -9.634 1.00 0.00 C ATOM 1228 NH1 ARG A 995 15.687 -3.538 -8.561 1.00 0.00 N ATOM 1229 NH2 ARG A 995 14.247 -4.710 -9.909 1.00 0.00 N ATOM 0 H ARG A 995 14.508 2.742 -12.393 1.00 0.00 H new ATOM 0 HA ARG A 995 13.220 0.269 -13.363 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.646 0.867 -10.426 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.124 -0.635 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.441 -0.728 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 995 15.902 0.580 -11.206 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.562 -1.456 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.170 -0.852 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 995 14.191 -2.615 -11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 995 16.198 -2.682 -8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 995 15.773 -4.351 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 995 13.648 -4.757 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 995 14.336 -5.520 -9.296 1.00 0.00 H new ATOM 1243 N LYS A 996 10.972 0.998 -12.265 1.00 0.00 N ATOM 1244 CA LYS A 996 9.661 1.595 -12.036 1.00 0.00 C ATOM 1245 C LYS A 996 9.308 1.579 -10.552 1.00 0.00 C ATOM 1246 O LYS A 996 9.630 0.630 -9.837 1.00 0.00 O ATOM 1247 CB LYS A 996 8.591 0.848 -12.834 1.00 0.00 C ATOM 1248 CG LYS A 996 8.832 0.860 -14.334 1.00 0.00 C ATOM 1249 CD LYS A 996 8.114 -0.288 -15.023 1.00 0.00 C ATOM 1250 CE LYS A 996 8.614 -0.484 -16.446 1.00 0.00 C ATOM 1251 NZ LYS A 996 9.967 -1.105 -16.479 1.00 0.00 N ATOM 0 H LYS A 996 10.958 -0.015 -12.386 1.00 0.00 H new ATOM 0 HA LYS A 996 9.698 2.631 -12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.548 -0.185 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.618 1.294 -12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.490 1.807 -14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.902 0.793 -14.532 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.263 -1.206 -14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.042 -0.092 -15.037 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.912 -1.113 -16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 996 8.644 0.479 -16.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 10.187 -1.407 -17.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 10.675 -0.412 -16.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 9.986 -1.931 -15.847 1.00 0.00 H new ATOM 1265 N VAL A 997 8.642 2.635 -10.095 1.00 0.00 N ATOM 1266 CA VAL A 997 8.242 2.740 -8.697 1.00 0.00 C ATOM 1267 C VAL A 997 6.764 2.409 -8.522 1.00 0.00 C ATOM 1268 O VAL A 997 5.955 2.636 -9.421 1.00 0.00 O ATOM 1269 CB VAL A 997 8.510 4.152 -8.141 1.00 0.00 C ATOM 1270 CG1 VAL A 997 9.992 4.340 -7.853 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.009 5.210 -9.112 1.00 0.00 C ATOM 0 H VAL A 997 8.368 3.430 -10.673 1.00 0.00 H new ATOM 0 HA VAL A 997 8.841 2.019 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 997 7.965 4.264 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.162 5.343 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.316 3.603 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.561 4.209 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.206 6.201 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.525 5.101 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 997 6.937 5.087 -9.263 1.00 0.00 H new ATOM 1281 N LYS A 998 6.418 1.872 -7.357 1.00 0.00 N ATOM 1282 CA LYS A 998 5.037 1.511 -7.060 1.00 0.00 C ATOM 1283 C LYS A 998 4.494 2.340 -5.901 1.00 0.00 C ATOM 1284 O LYS A 998 5.100 2.399 -4.829 1.00 0.00 O ATOM 1285 CB LYS A 998 4.939 0.021 -6.726 1.00 0.00 C ATOM 1286 CG LYS A 998 3.573 -0.578 -7.012 1.00 0.00 C ATOM 1287 CD LYS A 998 2.648 -0.456 -5.812 1.00 0.00 C ATOM 1288 CE LYS A 998 1.307 -1.126 -6.071 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.330 -2.570 -5.710 1.00 0.00 N ATOM 0 H LYS A 998 7.076 1.677 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 998 4.435 1.719 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.691 -0.521 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.176 -0.123 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.126 -0.075 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.684 -1.628 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 998 3.120 -0.909 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.491 0.597 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.531 -0.620 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 998 1.045 -1.019 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.398 -2.990 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.053 -3.058 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.555 -2.672 -4.700 1.00 0.00 H new ATOM 1303 N LEU A 999 3.350 2.978 -6.120 1.00 0.00 N ATOM 1304 CA LEU A 999 2.725 3.803 -5.092 1.00 0.00 C ATOM 1305 C LEU A 999 1.426 3.170 -4.603 1.00 0.00 C ATOM 1306 O LEU A 999 0.576 2.775 -5.401 1.00 0.00 O ATOM 1307 CB LEU A 999 2.449 5.206 -5.635 1.00 0.00 C ATOM 1308 CG LEU A 999 3.679 6.031 -6.016 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.268 7.272 -6.795 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.469 6.416 -4.774 1.00 0.00 C ATOM 0 H LEU A 999 2.836 2.940 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 999 3.413 3.875 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.811 5.115 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.883 5.759 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 999 4.319 5.421 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.156 7.847 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.746 6.974 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.607 7.885 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.341 7.003 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.838 7.008 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.795 5.514 -4.256 1.00 0.00 H new ATOM 1322 N VAL A1000 1.278 3.080 -3.285 1.00 0.00 N ATOM 1323 CA VAL A1000 0.081 2.499 -2.688 1.00 0.00 C ATOM 1324 C VAL A1000 -0.626 3.504 -1.785 1.00 0.00 C ATOM 1325 O VAL A1000 0.018 4.266 -1.063 1.00 0.00 O ATOM 1326 CB VAL A1000 0.417 1.238 -1.870 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.852 0.604 -1.320 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.194 0.244 -2.720 1.00 0.00 C ATOM 0 H VAL A1000 1.972 3.402 -2.610 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.581 2.224 -3.509 1.00 0.00 H new ATOM 0 HB VAL A1000 1.044 1.529 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.595 -0.286 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.365 1.317 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.507 0.325 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.423 -0.641 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.594 -0.043 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.122 0.703 -3.060 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.953 3.499 -1.830 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.749 4.410 -1.015 1.00 0.00 C ATOM 1340 C LEU A1001 -2.896 3.881 0.409 1.00 0.00 C ATOM 1341 O LEU A1001 -3.380 2.771 0.622 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.131 4.611 -1.640 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.242 5.730 -2.677 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.549 5.618 -3.445 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.131 7.092 -2.006 1.00 0.00 C ATOM 0 H LEU A1001 -2.501 2.875 -2.422 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.231 5.368 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.435 3.676 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.844 4.812 -0.840 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.419 5.627 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.610 6.422 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.589 4.657 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.386 5.695 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.212 7.876 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.933 7.205 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.168 7.172 -1.501 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.474 4.686 1.380 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.569 4.282 2.771 1.00 0.00 C ATOM 1359 C GLY A1002 -3.927 3.705 3.116 1.00 0.00 C ATOM 1360 O GLY A1002 -4.101 2.486 3.145 1.00 0.00 O ATOM 0 H GLY A1002 -2.069 5.610 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.798 3.541 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.370 5.142 3.410 1.00 0.00 H new