USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0107 X(o=0.011,f=-0.077) USER MOD Single : A 24 SER OG : rot 180:sc= 0.36 USER MOD Single : A 27 SER OG : rot -120:sc=-0.000422 USER MOD Single : A 37 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -1.5 USER MOD Single : A 63 GLN : amide:sc= -0.977 K(o=-0.98,f=-2!) USER MOD Single : A 65 MET CE :methyl -151:sc= -0.29 (180deg=-2.77!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 67 GLN : amide:sc= -2.1 K(o=-2.1,f=-9.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.74 F(o=-8!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 70:sc= -7.9! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -2.16! C(o=-2.2!,f=-4.1!) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.705 8.139 -5.570 1.00 0.00 N ATOM 168 CA GLY A 15 -3.707 8.287 -4.127 1.00 0.00 C ATOM 169 C GLY A 15 -3.870 6.962 -3.409 1.00 0.00 C ATOM 170 O GLY A 15 -4.646 6.853 -2.459 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.775 8.755 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.515 8.957 -3.835 1.00 0.00 H new ATOM 174 N LYS A 16 -3.137 5.951 -3.863 1.00 0.00 N ATOM 175 CA LYS A 16 -3.203 4.626 -3.259 1.00 0.00 C ATOM 176 C LYS A 16 -1.824 4.171 -2.793 1.00 0.00 C ATOM 177 O LYS A 16 -0.901 4.028 -3.596 1.00 0.00 O ATOM 178 CB LYS A 16 -3.775 3.616 -4.256 1.00 0.00 C ATOM 179 CG LYS A 16 -4.752 4.225 -5.247 1.00 0.00 C ATOM 180 CD LYS A 16 -4.817 3.419 -6.533 1.00 0.00 C ATOM 181 CE LYS A 16 -5.708 4.091 -7.567 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.982 5.152 -8.318 1.00 0.00 N ATOM 0 H LYS A 16 -2.490 6.024 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.860 4.682 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.954 3.155 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.277 2.820 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.744 4.275 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.452 5.248 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.813 3.299 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.196 2.420 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.082 3.343 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.576 4.526 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.623 5.586 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.647 5.879 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.168 4.733 -8.812 1.00 0.00 H new ATOM 196 N THR A 17 -1.689 3.943 -1.490 1.00 0.00 N ATOM 197 CA THR A 17 -0.422 3.505 -0.918 1.00 0.00 C ATOM 198 C THR A 17 -0.643 2.450 0.161 1.00 0.00 C ATOM 199 O THR A 17 -1.749 2.299 0.678 1.00 0.00 O ATOM 200 CB THR A 17 0.360 4.686 -0.313 1.00 0.00 C ATOM 201 OG1 THR A 17 0.797 5.567 -1.353 1.00 0.00 O ATOM 202 CG2 THR A 17 1.562 4.190 0.478 1.00 0.00 C ATOM 0 H THR A 17 -2.442 4.055 -0.811 1.00 0.00 H new ATOM 0 HA THR A 17 0.160 3.073 -1.732 1.00 0.00 H new ATOM 0 HB THR A 17 -0.303 5.225 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.292 6.316 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.099 5.041 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.223 3.542 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.226 3.631 -0.181 1.00 0.00 H new ATOM 210 N VAL A 18 0.418 1.723 0.497 1.00 0.00 N ATOM 211 CA VAL A 18 0.341 0.683 1.516 1.00 0.00 C ATOM 212 C VAL A 18 1.709 0.417 2.134 1.00 0.00 C ATOM 213 O VAL A 18 2.645 0.011 1.445 1.00 0.00 O ATOM 214 CB VAL A 18 -0.212 -0.632 0.935 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.472 -0.369 0.124 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.843 -1.325 0.087 1.00 0.00 C ATOM 0 H VAL A 18 1.341 1.835 0.078 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.339 1.045 2.287 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.472 -1.293 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.848 -1.309 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.230 0.081 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.241 0.311 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.435 -2.252 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.137 -0.671 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.715 -1.549 0.702 1.00 0.00 H new ATOM 226 N PHE A 19 1.818 0.649 3.438 1.00 0.00 N ATOM 227 CA PHE A 19 3.072 0.434 4.150 1.00 0.00 C ATOM 228 C PHE A 19 2.966 -0.762 5.092 1.00 0.00 C ATOM 229 O PHE A 19 2.030 -0.858 5.886 1.00 0.00 O ATOM 230 CB PHE A 19 3.455 1.687 4.940 1.00 0.00 C ATOM 231 CG PHE A 19 4.771 1.567 5.654 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.899 1.119 4.985 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.881 1.902 6.994 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.112 1.008 5.639 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.091 1.793 7.653 1.00 0.00 C ATOM 236 CZ PHE A 19 7.208 1.344 6.975 1.00 0.00 C ATOM 0 H PHE A 19 1.053 0.986 4.023 1.00 0.00 H new ATOM 0 HA PHE A 19 3.848 0.225 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.496 2.537 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.673 1.900 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.830 0.853 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.011 2.252 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.984 0.659 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.163 2.059 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.154 1.256 7.489 1.00 0.00 H new ATOM 246 N ILE A 20 3.930 -1.671 4.995 1.00 0.00 N ATOM 247 CA ILE A 20 3.945 -2.860 5.838 1.00 0.00 C ATOM 248 C ILE A 20 4.968 -2.725 6.961 1.00 0.00 C ATOM 249 O ILE A 20 6.128 -2.388 6.721 1.00 0.00 O ATOM 250 CB ILE A 20 4.262 -4.126 5.020 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.383 -4.184 3.769 1.00 0.00 C ATOM 252 CG2 ILE A 20 4.064 -5.370 5.872 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.000 -3.507 2.565 1.00 0.00 C ATOM 0 H ILE A 20 4.710 -1.607 4.341 1.00 0.00 H new ATOM 0 HA ILE A 20 2.948 -2.955 6.268 1.00 0.00 H new ATOM 0 HB ILE A 20 5.305 -4.087 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.180 -5.227 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.423 -3.715 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.292 -6.256 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.728 -5.329 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.030 -5.417 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.322 -3.587 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.177 -2.455 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.946 -3.990 2.321 1.00 0.00 H new ATOM 265 N ARG A 21 4.531 -2.991 8.188 1.00 0.00 N ATOM 266 CA ARG A 21 5.408 -2.900 9.348 1.00 0.00 C ATOM 267 C ARG A 21 5.510 -4.246 10.060 1.00 0.00 C ATOM 268 O ARG A 21 4.611 -5.080 9.963 1.00 0.00 O ATOM 269 CB ARG A 21 4.896 -1.835 10.319 1.00 0.00 C ATOM 270 CG ARG A 21 5.390 -0.433 10.002 1.00 0.00 C ATOM 271 CD ARG A 21 4.644 0.617 10.811 1.00 0.00 C ATOM 272 NE ARG A 21 4.232 0.111 12.117 1.00 0.00 N ATOM 273 CZ ARG A 21 5.082 -0.173 13.098 1.00 0.00 C ATOM 274 NH1 ARG A 21 6.385 0.000 12.920 1.00 0.00 N ATOM 275 NH2 ARG A 21 4.630 -0.630 14.258 1.00 0.00 N ATOM 0 H ARG A 21 3.574 -3.271 8.404 1.00 0.00 H new ATOM 0 HA ARG A 21 6.401 -2.617 8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.806 -1.838 10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.204 -2.100 11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.457 -0.366 10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.262 -0.233 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.281 1.491 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.765 0.945 10.256 1.00 0.00 H new ATOM 0 HE ARG A 21 3.236 -0.032 12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.736 0.352 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.036 -0.218 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.629 -0.764 14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.284 -0.848 15.010 1.00 0.00 H new ATOM 289 N ASN A 22 6.612 -4.450 10.774 1.00 0.00 N ATOM 290 CA ASN A 22 6.832 -5.695 11.501 1.00 0.00 C ATOM 291 C ASN A 22 7.096 -6.848 10.538 1.00 0.00 C ATOM 292 O ASN A 22 6.563 -7.946 10.705 1.00 0.00 O ATOM 293 CB ASN A 22 5.623 -6.017 12.381 1.00 0.00 C ATOM 294 CG ASN A 22 5.955 -7.006 13.481 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.628 -6.666 14.454 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.482 -8.238 13.332 1.00 0.00 N ATOM 0 H ASN A 22 7.366 -3.770 10.865 1.00 0.00 H new ATOM 0 HA ASN A 22 7.710 -5.566 12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.246 -5.096 12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.824 -6.422 11.761 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.672 -8.947 14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.928 -8.476 12.509 1.00 0.00 H new ATOM 303 N LEU A 23 7.922 -6.592 9.530 1.00 0.00 N ATOM 304 CA LEU A 23 8.258 -7.609 8.539 1.00 0.00 C ATOM 305 C LEU A 23 9.305 -8.575 9.084 1.00 0.00 C ATOM 306 O LEU A 23 10.129 -8.207 9.921 1.00 0.00 O ATOM 307 CB LEU A 23 8.774 -6.950 7.258 1.00 0.00 C ATOM 308 CG LEU A 23 7.709 -6.374 6.324 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.350 -5.499 5.259 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.901 -7.493 5.682 1.00 0.00 C ATOM 0 H LEU A 23 8.372 -5.689 9.377 1.00 0.00 H new ATOM 0 HA LEU A 23 7.353 -8.173 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.457 -6.148 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.356 -7.686 6.703 1.00 0.00 H new ATOM 0 HG LEU A 23 7.032 -5.756 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.577 -5.098 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.883 -4.677 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.050 -6.094 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.148 -7.065 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.565 -8.137 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.410 -8.079 6.459 1.00 0.00 H new ATOM 322 N SER A 24 9.267 -9.814 8.602 1.00 0.00 N ATOM 323 CA SER A 24 10.211 -10.834 9.042 1.00 0.00 C ATOM 324 C SER A 24 11.503 -10.764 8.233 1.00 0.00 C ATOM 325 O SER A 24 11.479 -10.560 7.019 1.00 0.00 O ATOM 326 CB SER A 24 9.588 -12.226 8.910 1.00 0.00 C ATOM 327 OG SER A 24 9.835 -12.775 7.627 1.00 0.00 O ATOM 0 H SER A 24 8.593 -10.135 7.907 1.00 0.00 H new ATOM 0 HA SER A 24 10.448 -10.647 10.089 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.997 -12.885 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.513 -12.165 9.082 1.00 0.00 H new ATOM 0 HG SER A 24 9.429 -13.665 7.568 1.00 0.00 H new ATOM 333 N PHE A 25 12.630 -10.935 8.915 1.00 0.00 N ATOM 334 CA PHE A 25 13.933 -10.890 8.262 1.00 0.00 C ATOM 335 C PHE A 25 14.010 -11.912 7.131 1.00 0.00 C ATOM 336 O PHE A 25 14.919 -11.869 6.302 1.00 0.00 O ATOM 337 CB PHE A 25 15.046 -11.152 9.278 1.00 0.00 C ATOM 338 CG PHE A 25 15.177 -10.074 10.316 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.440 -8.765 9.945 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.036 -10.370 11.662 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.561 -7.772 10.898 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.156 -9.380 12.620 1.00 0.00 C ATOM 343 CZ PHE A 25 15.417 -8.079 12.237 1.00 0.00 C ATOM 0 H PHE A 25 12.668 -11.106 9.920 1.00 0.00 H new ATOM 0 HA PHE A 25 14.065 -9.894 7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.856 -12.103 9.776 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.994 -11.253 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.552 -8.518 8.899 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.830 -11.385 11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.768 -6.756 10.596 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.046 -9.624 13.666 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.508 -7.303 12.983 1.00 0.00 H new ATOM 353 N ASP A 26 13.050 -12.830 7.105 1.00 0.00 N ATOM 354 CA ASP A 26 13.008 -13.863 6.077 1.00 0.00 C ATOM 355 C ASP A 26 12.146 -13.422 4.898 1.00 0.00 C ATOM 356 O ASP A 26 12.348 -13.867 3.768 1.00 0.00 O ATOM 357 CB ASP A 26 12.467 -15.170 6.659 1.00 0.00 C ATOM 358 CG ASP A 26 12.862 -16.379 5.834 1.00 0.00 C ATOM 359 OD1 ASP A 26 14.044 -16.779 5.896 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.990 -16.926 5.128 1.00 0.00 O ATOM 0 H ASP A 26 12.291 -12.880 7.784 1.00 0.00 H new ATOM 0 HA ASP A 26 14.025 -14.027 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.837 -15.292 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.380 -15.115 6.720 1.00 0.00 H new ATOM 365 N SER A 27 11.185 -12.545 5.170 1.00 0.00 N ATOM 366 CA SER A 27 10.289 -12.047 4.133 1.00 0.00 C ATOM 367 C SER A 27 11.080 -11.468 2.964 1.00 0.00 C ATOM 368 O SER A 27 12.200 -10.987 3.137 1.00 0.00 O ATOM 369 CB SER A 27 9.352 -10.982 4.707 1.00 0.00 C ATOM 370 OG SER A 27 8.608 -10.351 3.680 1.00 0.00 O ATOM 0 H SER A 27 11.007 -12.165 6.100 1.00 0.00 H new ATOM 0 HA SER A 27 9.695 -12.885 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.671 -11.440 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.933 -10.237 5.250 1.00 0.00 H new ATOM 0 HG SER A 27 8.801 -9.390 3.679 1.00 0.00 H new ATOM 376 N GLU A 28 10.488 -11.518 1.775 1.00 0.00 N ATOM 377 CA GLU A 28 11.138 -10.999 0.577 1.00 0.00 C ATOM 378 C GLU A 28 10.155 -10.197 -0.272 1.00 0.00 C ATOM 379 O GLU A 28 8.983 -10.554 -0.384 1.00 0.00 O ATOM 380 CB GLU A 28 11.724 -12.146 -0.250 1.00 0.00 C ATOM 381 CG GLU A 28 12.598 -13.092 0.556 1.00 0.00 C ATOM 382 CD GLU A 28 13.579 -13.860 -0.308 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.243 -14.143 -1.477 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.682 -14.177 0.183 1.00 0.00 O ATOM 0 H GLU A 28 9.561 -11.912 1.615 1.00 0.00 H new ATOM 0 HA GLU A 28 11.945 -10.337 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.908 -12.712 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.312 -11.730 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.148 -12.523 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.964 -13.797 1.094 1.00 0.00 H new ATOM 391 N GLU A 29 10.643 -9.112 -0.866 1.00 0.00 N ATOM 392 CA GLU A 29 9.806 -8.259 -1.702 1.00 0.00 C ATOM 393 C GLU A 29 8.799 -9.091 -2.492 1.00 0.00 C ATOM 394 O GLU A 29 7.637 -8.710 -2.628 1.00 0.00 O ATOM 395 CB GLU A 29 10.673 -7.441 -2.662 1.00 0.00 C ATOM 396 CG GLU A 29 9.998 -6.176 -3.164 1.00 0.00 C ATOM 397 CD GLU A 29 10.908 -5.337 -4.039 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.797 -4.655 -3.489 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.731 -5.363 -5.275 1.00 0.00 O ATOM 0 H GLU A 29 11.612 -8.803 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 29 9.257 -7.580 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.602 -7.172 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.941 -8.063 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.105 -6.445 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.670 -5.581 -2.312 1.00 0.00 H new ATOM 406 N GLU A 30 9.256 -10.227 -3.009 1.00 0.00 N ATOM 407 CA GLU A 30 8.395 -11.111 -3.786 1.00 0.00 C ATOM 408 C GLU A 30 7.267 -11.669 -2.923 1.00 0.00 C ATOM 409 O GLU A 30 6.093 -11.380 -3.154 1.00 0.00 O ATOM 410 CB GLU A 30 9.212 -12.260 -4.383 1.00 0.00 C ATOM 411 CG GLU A 30 8.487 -13.013 -5.486 1.00 0.00 C ATOM 412 CD GLU A 30 7.683 -14.186 -4.960 1.00 0.00 C ATOM 413 OE1 GLU A 30 8.288 -15.105 -4.370 1.00 0.00 O ATOM 414 OE2 GLU A 30 6.447 -14.184 -5.140 1.00 0.00 O ATOM 0 H GLU A 30 10.216 -10.556 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 30 7.955 -10.528 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.146 -11.863 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.474 -12.959 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.822 -12.328 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.214 -13.373 -6.214 1.00 0.00 H new ATOM 421 N ALA A 31 7.632 -12.471 -1.929 1.00 0.00 N ATOM 422 CA ALA A 31 6.653 -13.069 -1.030 1.00 0.00 C ATOM 423 C ALA A 31 5.705 -12.013 -0.471 1.00 0.00 C ATOM 424 O ALA A 31 4.517 -12.272 -0.274 1.00 0.00 O ATOM 425 CB ALA A 31 7.354 -13.803 0.103 1.00 0.00 C ATOM 0 H ALA A 31 8.600 -12.722 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 31 6.063 -13.785 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.610 -14.244 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.985 -14.590 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.970 -13.101 0.665 1.00 0.00 H new ATOM 431 N LEU A 32 6.236 -10.823 -0.216 1.00 0.00 N ATOM 432 CA LEU A 32 5.437 -9.727 0.322 1.00 0.00 C ATOM 433 C LEU A 32 4.375 -9.285 -0.680 1.00 0.00 C ATOM 434 O LEU A 32 3.191 -9.215 -0.355 1.00 0.00 O ATOM 435 CB LEU A 32 6.337 -8.544 0.684 1.00 0.00 C ATOM 436 CG LEU A 32 5.663 -7.394 1.434 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.705 -6.428 1.977 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.681 -6.668 0.527 1.00 0.00 C ATOM 0 H LEU A 32 7.217 -10.592 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 32 4.935 -10.083 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.163 -8.914 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.770 -8.148 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 32 5.109 -7.810 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.207 -5.616 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.369 -6.956 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.287 -6.019 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.211 -5.853 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.212 -6.265 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.915 -7.365 0.188 1.00 0.00 H new ATOM 450 N GLY A 33 4.808 -8.990 -1.902 1.00 0.00 N ATOM 451 CA GLY A 33 3.882 -8.561 -2.934 1.00 0.00 C ATOM 452 C GLY A 33 2.854 -9.623 -3.269 1.00 0.00 C ATOM 453 O GLY A 33 1.664 -9.331 -3.378 1.00 0.00 O ATOM 0 H GLY A 33 5.783 -9.040 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.371 -7.656 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.440 -8.303 -3.834 1.00 0.00 H new ATOM 457 N GLU A 34 3.315 -10.859 -3.434 1.00 0.00 N ATOM 458 CA GLU A 34 2.426 -11.968 -3.761 1.00 0.00 C ATOM 459 C GLU A 34 1.310 -12.093 -2.729 1.00 0.00 C ATOM 460 O GLU A 34 0.276 -12.710 -2.988 1.00 0.00 O ATOM 461 CB GLU A 34 3.215 -13.277 -3.837 1.00 0.00 C ATOM 462 CG GLU A 34 3.787 -13.564 -5.215 1.00 0.00 C ATOM 463 CD GLU A 34 2.727 -13.564 -6.299 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.706 -14.262 -6.131 1.00 0.00 O ATOM 465 OE2 GLU A 34 2.919 -12.864 -7.316 1.00 0.00 O ATOM 0 H GLU A 34 4.298 -11.117 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 34 1.977 -11.766 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.030 -13.242 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.564 -14.101 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.544 -12.817 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.288 -14.532 -5.202 1.00 0.00 H new ATOM 472 N VAL A 35 1.526 -11.503 -1.557 1.00 0.00 N ATOM 473 CA VAL A 35 0.539 -11.548 -0.485 1.00 0.00 C ATOM 474 C VAL A 35 -0.522 -10.469 -0.671 1.00 0.00 C ATOM 475 O VAL A 35 -1.717 -10.725 -0.516 1.00 0.00 O ATOM 476 CB VAL A 35 1.200 -11.370 0.894 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.144 -11.264 1.983 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.156 -12.519 1.178 1.00 0.00 C ATOM 0 H VAL A 35 2.376 -10.988 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 35 0.067 -12.530 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 35 1.773 -10.443 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.630 -11.139 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.498 -10.405 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.459 -12.172 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.615 -12.377 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.607 -13.460 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.933 -12.544 0.414 1.00 0.00 H new ATOM 488 N LEU A 36 -0.079 -9.262 -1.003 1.00 0.00 N ATOM 489 CA LEU A 36 -0.991 -8.142 -1.211 1.00 0.00 C ATOM 490 C LEU A 36 -1.682 -8.246 -2.567 1.00 0.00 C ATOM 491 O LEU A 36 -2.776 -7.718 -2.758 1.00 0.00 O ATOM 492 CB LEU A 36 -0.233 -6.817 -1.112 1.00 0.00 C ATOM 493 CG LEU A 36 0.708 -6.669 0.084 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.529 -5.395 -0.037 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.080 -6.676 1.386 1.00 0.00 C ATOM 0 H LEU A 36 0.906 -9.033 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.753 -8.177 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.348 -6.685 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.961 -6.007 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 36 1.392 -7.518 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.193 -5.307 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.122 -5.430 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.862 -4.534 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.606 -6.570 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.787 -5.847 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.623 -7.617 1.477 1.00 0.00 H new ATOM 507 N GLN A 37 -1.035 -8.933 -3.503 1.00 0.00 N ATOM 508 CA GLN A 37 -1.589 -9.108 -4.841 1.00 0.00 C ATOM 509 C GLN A 37 -2.953 -9.787 -4.780 1.00 0.00 C ATOM 510 O GLN A 37 -3.816 -9.540 -5.622 1.00 0.00 O ATOM 511 CB GLN A 37 -0.634 -9.932 -5.707 1.00 0.00 C ATOM 512 CG GLN A 37 0.507 -9.118 -6.297 1.00 0.00 C ATOM 513 CD GLN A 37 0.986 -9.665 -7.627 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.252 -9.655 -8.616 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.224 -10.145 -7.659 1.00 0.00 N ATOM 0 H GLN A 37 -0.128 -9.377 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.714 -8.122 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.219 -10.742 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.198 -10.393 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.182 -8.086 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.339 -9.103 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.797 -10.133 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.601 -10.525 -8.527 1.00 0.00 H new ATOM 524 N GLN A 38 -3.140 -10.642 -3.780 1.00 0.00 N ATOM 525 CA GLN A 38 -4.400 -11.357 -3.612 1.00 0.00 C ATOM 526 C GLN A 38 -5.580 -10.392 -3.635 1.00 0.00 C ATOM 527 O GLN A 38 -6.644 -10.709 -4.169 1.00 0.00 O ATOM 528 CB GLN A 38 -4.393 -12.142 -2.299 1.00 0.00 C ATOM 529 CG GLN A 38 -4.783 -11.308 -1.090 1.00 0.00 C ATOM 530 CD GLN A 38 -4.761 -12.105 0.200 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.719 -12.084 0.973 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.663 -12.813 0.440 1.00 0.00 N ATOM 0 H GLN A 38 -2.436 -10.857 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.508 -12.054 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.079 -12.985 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.398 -12.556 -2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.101 -10.462 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.781 -10.898 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.893 -12.802 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.590 -13.368 1.293 1.00 0.00 H new ATOM 541 N PHE A 39 -5.386 -9.213 -3.053 1.00 0.00 N ATOM 542 CA PHE A 39 -6.436 -8.202 -3.006 1.00 0.00 C ATOM 543 C PHE A 39 -6.583 -7.506 -4.357 1.00 0.00 C ATOM 544 O PHE A 39 -7.694 -7.278 -4.832 1.00 0.00 O ATOM 545 CB PHE A 39 -6.130 -7.169 -1.919 1.00 0.00 C ATOM 546 CG PHE A 39 -6.035 -7.760 -0.541 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.176 -7.981 0.213 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.804 -8.094 0.000 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.091 -8.524 1.481 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.713 -8.639 1.267 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.858 -8.853 2.009 1.00 0.00 C ATOM 0 H PHE A 39 -4.512 -8.934 -2.608 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.376 -8.701 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.191 -6.670 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.908 -6.405 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.143 -7.726 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.905 -7.927 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.988 -8.691 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.747 -8.897 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.789 -9.277 3.000 1.00 0.00 H new ATOM 561 N GLY A 40 -5.451 -7.172 -4.969 1.00 0.00 N ATOM 562 CA GLY A 40 -5.474 -6.506 -6.259 1.00 0.00 C ATOM 563 C GLY A 40 -4.097 -6.407 -6.885 1.00 0.00 C ATOM 564 O GLY A 40 -3.090 -6.675 -6.231 1.00 0.00 O ATOM 0 H GLY A 40 -4.519 -7.350 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.138 -7.048 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.889 -5.505 -6.140 1.00 0.00 H new ATOM 568 N ASP A 41 -4.054 -6.022 -8.156 1.00 0.00 N ATOM 569 CA ASP A 41 -2.790 -5.889 -8.871 1.00 0.00 C ATOM 570 C ASP A 41 -1.911 -4.821 -8.228 1.00 0.00 C ATOM 571 O ASP A 41 -2.295 -3.654 -8.142 1.00 0.00 O ATOM 572 CB ASP A 41 -3.045 -5.541 -10.339 1.00 0.00 C ATOM 573 CG ASP A 41 -3.886 -6.586 -11.044 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.381 -7.708 -11.257 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.049 -6.282 -11.384 1.00 0.00 O ATOM 0 H ASP A 41 -4.879 -5.797 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.268 -6.844 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.546 -4.575 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.091 -5.438 -10.856 1.00 0.00 H new ATOM 580 N LEU A 42 -0.730 -5.228 -7.775 1.00 0.00 N ATOM 581 CA LEU A 42 0.204 -4.307 -7.137 1.00 0.00 C ATOM 582 C LEU A 42 0.994 -3.524 -8.181 1.00 0.00 C ATOM 583 O LEU A 42 1.641 -4.106 -9.052 1.00 0.00 O ATOM 584 CB LEU A 42 1.163 -5.072 -6.224 1.00 0.00 C ATOM 585 CG LEU A 42 0.638 -5.403 -4.826 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.349 -6.624 -4.264 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.807 -4.210 -3.897 1.00 0.00 C ATOM 0 H LEU A 42 -0.397 -6.190 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.372 -3.601 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.437 -6.004 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.077 -4.487 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.425 -5.631 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.962 -6.844 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.176 -7.479 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.419 -6.425 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.428 -4.463 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.863 -3.951 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.251 -3.360 -4.292 1.00 0.00 H new ATOM 599 N LYS A 43 0.939 -2.200 -8.086 1.00 0.00 N ATOM 600 CA LYS A 43 1.652 -1.335 -9.019 1.00 0.00 C ATOM 601 C LYS A 43 3.161 -1.476 -8.847 1.00 0.00 C ATOM 602 O LYS A 43 3.898 -1.605 -9.825 1.00 0.00 O ATOM 603 CB LYS A 43 1.239 0.124 -8.812 1.00 0.00 C ATOM 604 CG LYS A 43 2.067 1.111 -9.616 1.00 0.00 C ATOM 605 CD LYS A 43 1.523 1.277 -11.025 1.00 0.00 C ATOM 606 CE LYS A 43 2.116 2.498 -11.711 1.00 0.00 C ATOM 607 NZ LYS A 43 1.991 2.418 -13.193 1.00 0.00 N ATOM 0 H LYS A 43 0.408 -1.702 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 43 1.389 -1.641 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.189 0.238 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.323 0.370 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.074 2.077 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.101 0.768 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.747 0.385 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.438 1.370 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.613 3.396 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.168 2.592 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.407 3.269 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.492 1.575 -13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.986 2.354 -13.454 1.00 0.00 H new ATOM 621 N TYR A 44 3.614 -1.452 -7.598 1.00 0.00 N ATOM 622 CA TYR A 44 5.036 -1.577 -7.299 1.00 0.00 C ATOM 623 C TYR A 44 5.254 -1.936 -5.832 1.00 0.00 C ATOM 624 O TYR A 44 4.612 -1.379 -4.942 1.00 0.00 O ATOM 625 CB TYR A 44 5.764 -0.273 -7.630 1.00 0.00 C ATOM 626 CG TYR A 44 5.842 0.689 -6.466 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.783 0.516 -5.458 1.00 0.00 C ATOM 628 CD2 TYR A 44 4.974 1.770 -6.373 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.858 1.392 -4.393 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.043 2.652 -5.312 1.00 0.00 C ATOM 631 CZ TYR A 44 5.986 2.459 -4.324 1.00 0.00 C ATOM 632 OH TYR A 44 6.056 3.334 -3.265 1.00 0.00 O ATOM 0 H TYR A 44 3.018 -1.347 -6.777 1.00 0.00 H new ATOM 0 HA TYR A 44 5.442 -2.379 -7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.774 -0.506 -7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.256 0.216 -8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.467 -0.318 -5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.233 1.923 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.595 1.243 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.362 3.488 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 44 5.373 4.029 -3.369 1.00 0.00 H new ATOM 642 N VAL A 45 6.166 -2.872 -5.589 1.00 0.00 N ATOM 643 CA VAL A 45 6.472 -3.306 -4.231 1.00 0.00 C ATOM 644 C VAL A 45 7.961 -3.170 -3.933 1.00 0.00 C ATOM 645 O VAL A 45 8.787 -3.880 -4.507 1.00 0.00 O ATOM 646 CB VAL A 45 6.045 -4.768 -3.999 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.424 -5.630 -5.193 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.668 -5.308 -2.721 1.00 0.00 C ATOM 0 H VAL A 45 6.706 -3.344 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 45 5.909 -2.660 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 45 4.961 -4.799 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.115 -6.659 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.926 -5.254 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.504 -5.596 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.356 -6.342 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.754 -5.265 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.341 -4.705 -1.874 1.00 0.00 H new ATOM 658 N ARG A 46 8.297 -2.253 -3.031 1.00 0.00 N ATOM 659 CA ARG A 46 9.687 -2.023 -2.656 1.00 0.00 C ATOM 660 C ARG A 46 9.881 -2.197 -1.153 1.00 0.00 C ATOM 661 O ARG A 46 9.056 -1.752 -0.354 1.00 0.00 O ATOM 662 CB ARG A 46 10.126 -0.620 -3.079 1.00 0.00 C ATOM 663 CG ARG A 46 11.626 -0.486 -3.281 1.00 0.00 C ATOM 664 CD ARG A 46 12.105 0.925 -2.975 1.00 0.00 C ATOM 665 NE ARG A 46 13.457 1.164 -3.473 1.00 0.00 N ATOM 666 CZ ARG A 46 14.141 2.278 -3.239 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.601 3.251 -2.517 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.366 2.422 -3.726 1.00 0.00 N ATOM 0 H ARG A 46 7.625 -1.657 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 46 10.303 -2.760 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.618 -0.354 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.805 0.096 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.146 -1.196 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.880 -0.743 -4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.421 1.645 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.081 1.090 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 46 13.901 0.435 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.659 3.144 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.128 4.106 -2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.785 1.676 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.889 3.279 -3.545 1.00 0.00 H new ATOM 682 N VAL A 47 10.977 -2.847 -0.774 1.00 0.00 N ATOM 683 CA VAL A 47 11.280 -3.079 0.633 1.00 0.00 C ATOM 684 C VAL A 47 12.581 -2.394 1.035 1.00 0.00 C ATOM 685 O VAL A 47 13.629 -2.624 0.431 1.00 0.00 O ATOM 686 CB VAL A 47 11.387 -4.584 0.943 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.326 -5.266 -0.040 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.852 -4.800 2.375 1.00 0.00 C ATOM 0 H VAL A 47 11.670 -3.222 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 47 10.457 -2.655 1.208 1.00 0.00 H new ATOM 0 HB VAL A 47 10.399 -5.031 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.389 -6.329 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.946 -5.140 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.317 -4.819 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.922 -5.869 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.830 -4.339 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.137 -4.347 3.062 1.00 0.00 H new ATOM 698 N VAL A 48 12.508 -1.551 2.061 1.00 0.00 N ATOM 699 CA VAL A 48 13.680 -0.833 2.546 1.00 0.00 C ATOM 700 C VAL A 48 14.637 -1.772 3.273 1.00 0.00 C ATOM 701 O VAL A 48 14.244 -2.482 4.199 1.00 0.00 O ATOM 702 CB VAL A 48 13.284 0.314 3.494 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.551 -0.229 4.712 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.512 1.108 3.911 1.00 0.00 C ATOM 0 H VAL A 48 11.649 -1.349 2.572 1.00 0.00 H new ATOM 0 HA VAL A 48 14.179 -0.415 1.672 1.00 0.00 H new ATOM 0 HB VAL A 48 12.609 0.985 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.279 0.596 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.649 -0.750 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.199 -0.922 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.214 1.915 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.213 0.450 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.991 1.529 3.027 1.00 0.00 H new ATOM 857 N GLY A 58 12.787 -4.410 8.401 1.00 0.00 N ATOM 858 CA GLY A 58 11.609 -4.765 9.170 1.00 0.00 C ATOM 859 C GLY A 58 10.358 -4.070 8.668 1.00 0.00 C ATOM 860 O GLY A 58 9.351 -4.005 9.374 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.463 -5.844 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.770 -4.506 10.216 1.00 0.00 H new ATOM 864 N CYS A 59 10.422 -3.549 7.448 1.00 0.00 N ATOM 865 CA CYS A 59 9.287 -2.853 6.854 1.00 0.00 C ATOM 866 C CYS A 59 9.439 -2.759 5.339 1.00 0.00 C ATOM 867 O CYS A 59 10.503 -3.047 4.793 1.00 0.00 O ATOM 868 CB CYS A 59 9.150 -1.452 7.452 1.00 0.00 C ATOM 869 SG CYS A 59 10.625 -0.423 7.267 1.00 0.00 S ATOM 0 H CYS A 59 11.248 -3.595 6.851 1.00 0.00 H new ATOM 0 HA CYS A 59 8.386 -3.425 7.076 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.307 -0.948 6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.914 -1.543 8.512 1.00 0.00 H new ATOM 0 HG CYS A 59 10.411 0.743 7.802 1.00 0.00 H new ATOM 875 N ALA A 60 8.366 -2.356 4.666 1.00 0.00 N ATOM 876 CA ALA A 60 8.380 -2.224 3.214 1.00 0.00 C ATOM 877 C ALA A 60 7.210 -1.376 2.729 1.00 0.00 C ATOM 878 O ALA A 60 6.194 -1.251 3.413 1.00 0.00 O ATOM 879 CB ALA A 60 8.347 -3.597 2.559 1.00 0.00 C ATOM 0 H ALA A 60 7.476 -2.115 5.103 1.00 0.00 H new ATOM 0 HA ALA A 60 9.303 -1.720 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.358 -3.483 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.219 -4.171 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.440 -4.122 2.860 1.00 0.00 H new ATOM 885 N PHE A 61 7.359 -0.793 1.543 1.00 0.00 N ATOM 886 CA PHE A 61 6.315 0.045 0.967 1.00 0.00 C ATOM 887 C PHE A 61 5.849 -0.511 -0.375 1.00 0.00 C ATOM 888 O PHE A 61 6.658 -0.959 -1.188 1.00 0.00 O ATOM 889 CB PHE A 61 6.821 1.478 0.790 1.00 0.00 C ATOM 890 CG PHE A 61 7.277 2.115 2.071 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.555 1.888 2.557 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.429 2.942 2.790 1.00 0.00 C ATOM 893 CE1 PHE A 61 8.977 2.473 3.736 1.00 0.00 C ATOM 894 CE2 PHE A 61 6.846 3.529 3.970 1.00 0.00 C ATOM 895 CZ PHE A 61 8.122 3.295 4.442 1.00 0.00 C ATOM 0 H PHE A 61 8.193 -0.886 0.963 1.00 0.00 H new ATOM 0 HA PHE A 61 5.468 0.048 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.647 1.478 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.027 2.084 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.229 1.247 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.430 3.130 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.975 2.287 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.174 4.170 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.451 3.754 5.362 1.00 0.00 H new ATOM 905 N ALA A 62 4.540 -0.480 -0.600 1.00 0.00 N ATOM 906 CA ALA A 62 3.966 -0.980 -1.844 1.00 0.00 C ATOM 907 C ALA A 62 2.860 -0.059 -2.347 1.00 0.00 C ATOM 908 O ALA A 62 2.478 0.895 -1.669 1.00 0.00 O ATOM 909 CB ALA A 62 3.433 -2.391 -1.650 1.00 0.00 C ATOM 0 H ALA A 62 3.856 -0.114 0.063 1.00 0.00 H new ATOM 0 HA ALA A 62 4.755 -1.002 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.008 -2.751 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.247 -3.049 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.662 -2.386 -0.880 1.00 0.00 H new ATOM 915 N GLN A 63 2.351 -0.350 -3.540 1.00 0.00 N ATOM 916 CA GLN A 63 1.289 0.454 -4.134 1.00 0.00 C ATOM 917 C GLN A 63 0.295 -0.426 -4.884 1.00 0.00 C ATOM 918 O GLN A 63 0.674 -1.418 -5.506 1.00 0.00 O ATOM 919 CB GLN A 63 1.881 1.498 -5.082 1.00 0.00 C ATOM 920 CG GLN A 63 0.937 2.651 -5.383 1.00 0.00 C ATOM 921 CD GLN A 63 1.267 3.351 -6.686 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.644 3.095 -7.717 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.252 4.241 -6.647 1.00 0.00 N ATOM 0 H GLN A 63 2.657 -1.136 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 63 0.759 0.963 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.798 1.894 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.157 1.012 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.086 2.276 -5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.979 3.372 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.741 4.422 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.519 4.744 -7.493 1.00 0.00 H new ATOM 932 N PHE A 64 -0.980 -0.056 -4.821 1.00 0.00 N ATOM 933 CA PHE A 64 -2.030 -0.812 -5.494 1.00 0.00 C ATOM 934 C PHE A 64 -2.486 -0.099 -6.763 1.00 0.00 C ATOM 935 O PHE A 64 -2.230 1.091 -6.945 1.00 0.00 O ATOM 936 CB PHE A 64 -3.220 -1.018 -4.555 1.00 0.00 C ATOM 937 CG PHE A 64 -3.115 -2.260 -3.718 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.104 -3.513 -4.310 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.028 -2.176 -2.337 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.007 -4.658 -3.542 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.930 -3.317 -1.564 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.921 -4.560 -2.167 1.00 0.00 C ATOM 0 H PHE A 64 -1.311 0.763 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.622 -1.784 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.308 -0.153 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.135 -1.064 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.172 -3.596 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.037 -1.207 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.998 -5.628 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.860 -3.237 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.847 -5.453 -1.564 1.00 0.00 H new ATOM 952 N MET A 65 -3.162 -0.836 -7.638 1.00 0.00 N ATOM 953 CA MET A 65 -3.655 -0.274 -8.891 1.00 0.00 C ATOM 954 C MET A 65 -4.967 0.474 -8.673 1.00 0.00 C ATOM 955 O MET A 65 -5.317 1.372 -9.439 1.00 0.00 O ATOM 956 CB MET A 65 -3.852 -1.381 -9.928 1.00 0.00 C ATOM 957 CG MET A 65 -2.612 -1.658 -10.764 1.00 0.00 C ATOM 958 SD MET A 65 -2.427 -0.503 -12.136 1.00 0.00 S ATOM 959 CE MET A 65 -0.685 -0.692 -12.505 1.00 0.00 C ATOM 0 H MET A 65 -3.381 -1.823 -7.503 1.00 0.00 H new ATOM 0 HA MET A 65 -2.912 0.433 -9.261 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.148 -2.297 -9.417 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.673 -1.105 -10.590 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.729 -1.603 -10.127 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.661 -2.675 -11.154 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.298 0.239 -12.919 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.144 -0.935 -11.591 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.552 -1.495 -13.230 1.00 0.00 H new ATOM 969 N THR A 66 -5.690 0.097 -7.622 1.00 0.00 N ATOM 970 CA THR A 66 -6.963 0.731 -7.305 1.00 0.00 C ATOM 971 C THR A 66 -7.052 1.073 -5.822 1.00 0.00 C ATOM 972 O THR A 66 -6.745 0.245 -4.965 1.00 0.00 O ATOM 973 CB THR A 66 -8.151 -0.174 -7.682 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.991 -1.466 -7.086 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.262 -0.318 -9.193 1.00 0.00 C ATOM 0 H THR A 66 -5.415 -0.644 -6.977 1.00 0.00 H new ATOM 0 HA THR A 66 -7.014 1.648 -7.892 1.00 0.00 H new ATOM 0 HB THR A 66 -9.065 0.288 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.751 -2.035 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.108 -0.961 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.412 0.664 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.346 -0.760 -9.585 1.00 0.00 H new ATOM 983 N GLN A 67 -7.474 2.299 -5.527 1.00 0.00 N ATOM 984 CA GLN A 67 -7.603 2.750 -4.146 1.00 0.00 C ATOM 985 C GLN A 67 -8.410 1.753 -3.321 1.00 0.00 C ATOM 986 O GLN A 67 -8.116 1.524 -2.148 1.00 0.00 O ATOM 987 CB GLN A 67 -8.267 4.127 -4.097 1.00 0.00 C ATOM 988 CG GLN A 67 -7.810 4.981 -2.926 1.00 0.00 C ATOM 989 CD GLN A 67 -8.585 4.693 -1.656 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.320 3.709 -1.573 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.425 5.553 -0.656 1.00 0.00 N ATOM 0 H GLN A 67 -7.732 2.997 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.603 2.822 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.056 4.656 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.348 3.998 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.749 4.807 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.921 6.034 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.806 6.356 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.922 5.411 0.224 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.427 1.164 -3.942 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.276 0.192 -3.263 1.00 0.00 C ATOM 1002 C GLU A 68 -9.465 -1.019 -2.812 1.00 0.00 C ATOM 1003 O GLU A 68 -9.839 -1.713 -1.867 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.413 -0.256 -4.183 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.682 -0.639 -3.441 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.917 -0.563 -4.318 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.965 -1.283 -5.338 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.834 0.217 -3.986 1.00 0.00 O ATOM 0 H GLU A 68 -9.683 1.343 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.700 0.672 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.640 0.548 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.077 -1.108 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.579 -1.652 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.809 0.021 -2.583 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.352 -1.265 -3.495 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.486 -2.391 -3.165 1.00 0.00 C ATOM 1017 C ALA A 69 -6.735 -2.142 -1.862 1.00 0.00 C ATOM 1018 O ALA A 69 -6.751 -2.974 -0.955 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.507 -2.654 -4.299 1.00 0.00 C ATOM 0 H ALA A 69 -8.029 -0.700 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.113 -3.272 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.867 -3.497 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.059 -2.885 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.892 -1.769 -4.462 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.075 -0.991 -1.775 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.319 -0.632 -0.582 1.00 0.00 C ATOM 1027 C ALA A 70 -6.185 -0.731 0.668 1.00 0.00 C ATOM 1028 O ALA A 70 -5.729 -1.191 1.715 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.749 0.772 -0.722 1.00 0.00 C ATOM 0 H ALA A 70 -6.049 -0.292 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.496 -1.339 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.187 1.028 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.088 0.812 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.564 1.484 -0.855 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.436 -0.297 0.552 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.365 -0.336 1.675 1.00 0.00 C ATOM 1037 C GLN A 71 -8.685 -1.775 2.066 1.00 0.00 C ATOM 1038 O GLN A 71 -8.731 -2.112 3.250 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.655 0.408 1.324 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.424 1.831 0.840 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.265 2.507 1.547 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -7.046 2.166 1.145 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.464 3.326 2.444 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.829 0.085 -0.308 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.890 0.156 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.187 -0.148 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.301 0.432 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.233 1.819 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.331 2.416 0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.418 3.558 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.675 3.773 2.911 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.907 -2.620 1.065 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.222 -4.024 1.303 1.00 0.00 C ATOM 1054 C LYS A 72 -8.080 -4.721 2.037 1.00 0.00 C ATOM 1055 O LYS A 72 -8.302 -5.669 2.790 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.502 -4.737 -0.021 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.843 -4.375 -0.635 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.036 -5.042 -1.987 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.393 -4.706 -2.586 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.694 -5.542 -3.781 1.00 0.00 N ATOM 0 H LYS A 72 -8.875 -2.357 0.080 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.114 -4.069 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.710 -4.494 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.465 -5.814 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.646 -4.676 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.912 -3.293 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.247 -4.722 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.943 -6.122 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.168 -4.854 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.416 -3.652 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.627 -5.283 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.968 -5.382 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.697 -6.546 -3.510 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.861 -4.244 1.813 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.684 -4.821 2.453 1.00 0.00 C ATOM 1076 C CYS A 73 -5.659 -4.491 3.942 1.00 0.00 C ATOM 1077 O CYS A 73 -5.372 -5.352 4.775 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.409 -4.307 1.783 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.883 -4.895 2.553 1.00 0.00 S ATOM 0 H CYS A 73 -6.662 -3.459 1.193 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.733 -5.904 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.415 -4.609 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.416 -3.217 1.801 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.741 -6.166 2.321 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.960 -3.240 4.271 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.971 -2.795 5.660 1.00 0.00 C ATOM 1087 C LEU A 74 -6.932 -3.636 6.494 1.00 0.00 C ATOM 1088 O LEU A 74 -6.514 -4.371 7.389 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.365 -1.319 5.741 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.505 -0.350 4.930 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.137 1.033 4.906 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.095 -0.284 5.498 1.00 0.00 C ATOM 0 H LEU A 74 -6.200 -2.515 3.594 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.966 -2.919 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.399 -1.221 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.335 -1.012 6.787 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.446 -0.718 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.511 1.709 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.126 0.973 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.228 1.409 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.497 0.411 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.135 0.059 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.641 -1.274 5.462 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.222 -3.525 6.193 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.242 -4.278 6.912 1.00 0.00 C ATOM 1106 C ALA A 75 -8.817 -5.730 7.106 1.00 0.00 C ATOM 1107 O ALA A 75 -9.158 -6.357 8.108 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.569 -4.209 6.171 1.00 0.00 C ATOM 0 H ALA A 75 -8.585 -2.921 5.456 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.365 -3.828 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.322 -4.776 6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.886 -3.169 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.451 -4.632 5.174 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.072 -6.258 6.141 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.600 -7.635 6.207 1.00 0.00 C ATOM 1116 C ALA A 76 -6.303 -7.734 7.003 1.00 0.00 C ATOM 1117 O ALA A 76 -5.999 -8.774 7.586 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.405 -8.194 4.805 1.00 0.00 C ATOM 0 H ALA A 76 -7.782 -5.753 5.304 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.357 -8.228 6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.052 -9.223 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.353 -8.168 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.670 -7.591 4.272 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.542 -6.644 7.023 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.279 -6.608 7.748 1.00 0.00 C ATOM 1126 C ALA A 77 -4.512 -6.506 9.252 1.00 0.00 C ATOM 1127 O ALA A 77 -3.703 -6.981 10.049 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.426 -5.444 7.265 1.00 0.00 C ATOM 0 H ALA A 77 -5.779 -5.775 6.545 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.749 -7.540 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.485 -5.429 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.222 -5.560 6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.959 -4.508 7.433 1.00 0.00 H new ATOM 1134 N SER A 78 -5.622 -5.884 9.633 1.00 0.00 N ATOM 1135 CA SER A 78 -5.960 -5.716 11.042 1.00 0.00 C ATOM 1136 C SER A 78 -6.931 -6.800 11.501 1.00 0.00 C ATOM 1137 O SER A 78 -8.056 -6.891 11.008 1.00 0.00 O ATOM 1138 CB SER A 78 -6.570 -4.334 11.281 1.00 0.00 C ATOM 1139 OG SER A 78 -6.565 -4.006 12.660 1.00 0.00 O ATOM 0 H SER A 78 -6.304 -5.488 8.986 1.00 0.00 H new ATOM 0 HA SER A 78 -5.042 -5.805 11.623 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.009 -3.584 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.592 -4.314 10.903 1.00 0.00 H new ATOM 0 HG SER A 78 -6.958 -3.117 12.786 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.473 -10.383 8.639 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.498 -11.088 7.814 1.00 0.00 C ATOM 1227 C LEU A 86 -1.255 -11.443 8.622 1.00 0.00 C ATOM 1228 O LEU A 86 -0.906 -10.754 9.581 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.109 -10.234 6.606 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.970 -10.408 5.355 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.372 -9.869 5.593 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.325 -9.715 4.163 1.00 0.00 C ATOM 0 HA LEU A 86 -2.957 -12.013 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.142 -9.185 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.075 -10.459 6.345 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.045 -11.473 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.971 -10.001 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.835 -10.410 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.317 -8.809 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.952 -9.849 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.219 -8.651 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.342 -10.148 3.979 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.588 -12.523 8.229 1.00 0.00 N ATOM 1245 CA LYS A 87 0.620 -12.969 8.914 1.00 0.00 C ATOM 1246 C LYS A 87 1.602 -13.598 7.931 1.00 0.00 C ATOM 1247 O LYS A 87 1.208 -14.353 7.042 1.00 0.00 O ATOM 1248 CB LYS A 87 0.266 -13.974 10.012 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.341 -13.335 11.249 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.022 -14.133 12.502 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.784 -13.606 13.708 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.794 -14.585 14.830 1.00 0.00 N ATOM 0 H LYS A 87 -0.864 -13.106 7.439 1.00 0.00 H new ATOM 0 HA LYS A 87 1.094 -12.098 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.435 -14.706 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.166 -14.518 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.037 -12.319 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.422 -13.261 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.274 -15.181 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.049 -14.089 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.331 -12.673 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.809 -13.376 13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.323 -14.188 15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.249 -15.467 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.183 -14.785 15.125 1.00 0.00 H new ATOM 1266 N LEU A 88 2.882 -13.282 8.097 1.00 0.00 N ATOM 1267 CA LEU A 88 3.922 -13.818 7.225 1.00 0.00 C ATOM 1268 C LEU A 88 5.011 -14.510 8.038 1.00 0.00 C ATOM 1269 O LEU A 88 5.777 -13.858 8.749 1.00 0.00 O ATOM 1270 CB LEU A 88 4.532 -12.699 6.380 1.00 0.00 C ATOM 1271 CG LEU A 88 5.102 -13.118 5.024 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.990 -13.244 3.994 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.153 -12.121 4.557 1.00 0.00 C ATOM 0 H LEU A 88 3.225 -12.658 8.827 1.00 0.00 H new ATOM 0 HA LEU A 88 3.465 -14.555 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.768 -11.940 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.328 -12.228 6.957 1.00 0.00 H new ATOM 0 HG LEU A 88 5.578 -14.092 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.414 -13.543 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.272 -13.995 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.485 -12.284 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.548 -12.435 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.701 -11.134 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.964 -12.080 5.284 1.00 0.00 H new ATOM 1285 N ASP A 89 5.076 -15.832 7.927 1.00 0.00 N ATOM 1286 CA ASP A 89 6.075 -16.612 8.650 1.00 0.00 C ATOM 1287 C ASP A 89 5.897 -16.460 10.157 1.00 0.00 C ATOM 1288 O ASP A 89 6.872 -16.370 10.902 1.00 0.00 O ATOM 1289 CB ASP A 89 7.484 -16.177 8.244 1.00 0.00 C ATOM 1290 CG ASP A 89 7.726 -16.317 6.753 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.201 -15.483 5.986 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.441 -17.260 6.355 1.00 0.00 O ATOM 0 H ASP A 89 4.449 -16.386 7.344 1.00 0.00 H new ATOM 0 HA ASP A 89 5.938 -17.662 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.640 -15.139 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.216 -16.776 8.786 1.00 0.00 H new ATOM 1297 N GLY A 90 4.643 -16.430 10.600 1.00 0.00 N ATOM 1298 CA GLY A 90 4.360 -16.287 12.016 1.00 0.00 C ATOM 1299 C GLY A 90 4.564 -14.868 12.508 1.00 0.00 C ATOM 1300 O GLY A 90 4.758 -14.640 13.702 1.00 0.00 O ATOM 0 H GLY A 90 3.819 -16.502 10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.331 -16.591 12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.004 -16.960 12.582 1.00 0.00 H new ATOM 1304 N ARG A 91 4.522 -13.912 11.586 1.00 0.00 N ATOM 1305 CA ARG A 91 4.707 -12.508 11.932 1.00 0.00 C ATOM 1306 C ARG A 91 3.491 -11.682 11.523 1.00 0.00 C ATOM 1307 O ARG A 91 3.027 -11.765 10.386 1.00 0.00 O ATOM 1308 CB ARG A 91 5.963 -11.955 11.256 1.00 0.00 C ATOM 1309 CG ARG A 91 7.250 -12.608 11.734 1.00 0.00 C ATOM 1310 CD ARG A 91 7.776 -11.942 12.996 1.00 0.00 C ATOM 1311 NE ARG A 91 7.252 -12.570 14.206 1.00 0.00 N ATOM 1312 CZ ARG A 91 7.816 -12.446 15.402 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.916 -11.720 15.548 1.00 0.00 N ATOM 1314 NH2 ARG A 91 7.279 -13.048 16.456 1.00 0.00 N ATOM 0 H ARG A 91 4.361 -14.084 10.594 1.00 0.00 H new ATOM 0 HA ARG A 91 4.824 -12.439 13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.875 -12.091 10.178 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.021 -10.882 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.073 -13.666 11.926 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.003 -12.548 10.948 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.865 -11.991 13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.504 -10.886 12.989 1.00 0.00 H new ATOM 0 HE ARG A 91 6.406 -13.135 14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.331 -11.255 14.741 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.347 -11.626 16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.432 -13.607 16.348 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.713 -12.952 17.374 1.00 0.00 H new ATOM 1328 N GLN A 92 2.980 -10.888 12.457 1.00 0.00 N ATOM 1329 CA GLN A 92 1.817 -10.048 12.194 1.00 0.00 C ATOM 1330 C GLN A 92 2.193 -8.858 11.318 1.00 0.00 C ATOM 1331 O GLN A 92 2.962 -7.988 11.730 1.00 0.00 O ATOM 1332 CB GLN A 92 1.207 -9.558 13.508 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.294 -9.330 13.434 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.684 -8.361 12.335 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.603 -7.145 12.506 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.110 -8.898 11.197 1.00 0.00 N ATOM 0 H GLN A 92 3.353 -10.808 13.403 1.00 0.00 H new ATOM 0 HA GLN A 92 1.079 -10.648 11.662 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.417 -10.287 14.291 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.694 -8.627 13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.795 -10.284 13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.647 -8.948 14.392 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.161 -9.912 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.386 -8.296 10.421 1.00 0.00 H new ATOM 1345 N LEU A 93 1.646 -8.824 10.108 1.00 0.00 N ATOM 1346 CA LEU A 93 1.924 -7.739 9.172 1.00 0.00 C ATOM 1347 C LEU A 93 1.029 -6.536 9.453 1.00 0.00 C ATOM 1348 O LEU A 93 -0.177 -6.679 9.657 1.00 0.00 O ATOM 1349 CB LEU A 93 1.720 -8.216 7.733 1.00 0.00 C ATOM 1350 CG LEU A 93 2.463 -9.493 7.338 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.074 -9.923 5.932 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.967 -9.288 7.438 1.00 0.00 C ATOM 0 H LEU A 93 1.007 -9.535 9.751 1.00 0.00 H new ATOM 0 HA LEU A 93 2.962 -7.435 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.654 -8.375 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.028 -7.417 7.059 1.00 0.00 H new ATOM 0 HG LEU A 93 2.178 -10.285 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.612 -10.833 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.001 -10.112 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.329 -9.133 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.479 -10.207 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.270 -8.482 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.231 -9.028 8.463 1.00 0.00 H new ATOM 1364 N LYS A 94 1.627 -5.350 9.459 1.00 0.00 N ATOM 1365 CA LYS A 94 0.885 -4.120 9.711 1.00 0.00 C ATOM 1366 C LYS A 94 0.800 -3.268 8.448 1.00 0.00 C ATOM 1367 O LYS A 94 1.762 -2.599 8.073 1.00 0.00 O ATOM 1368 CB LYS A 94 1.548 -3.320 10.834 1.00 0.00 C ATOM 1369 CG LYS A 94 1.148 -3.779 12.226 1.00 0.00 C ATOM 1370 CD LYS A 94 1.759 -5.127 12.566 1.00 0.00 C ATOM 1371 CE LYS A 94 1.795 -5.360 14.068 1.00 0.00 C ATOM 1372 NZ LYS A 94 2.937 -4.654 14.712 1.00 0.00 N ATOM 0 H LYS A 94 2.624 -5.214 9.292 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.126 -4.391 10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.631 -3.396 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.290 -2.267 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.467 -3.039 12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.062 -3.844 12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.183 -5.919 12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.771 -5.181 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.860 -5.017 14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.870 -6.429 14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.815 -4.666 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.826 -5.133 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.969 -3.669 14.379 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.359 -3.297 7.797 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.571 -2.525 6.578 1.00 0.00 C ATOM 1388 C VAL A 95 -1.315 -1.227 6.872 1.00 0.00 C ATOM 1389 O VAL A 95 -2.377 -1.236 7.494 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.363 -3.333 5.533 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.472 -2.558 4.229 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.712 -4.689 5.304 1.00 0.00 C ATOM 0 H VAL A 95 -1.165 -3.847 8.093 1.00 0.00 H new ATOM 0 HA VAL A 95 0.415 -2.292 6.175 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.371 -3.499 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.035 -3.145 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.986 -1.614 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.474 -2.359 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.284 -5.247 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.307 -4.547 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.692 -5.246 6.241 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.750 -0.113 6.419 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.361 1.194 6.631 1.00 0.00 C ATOM 1404 C ASP A 96 -1.147 2.097 5.420 1.00 0.00 C ATOM 1405 O ASP A 96 -0.088 2.069 4.791 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.782 1.854 7.883 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.611 3.033 8.353 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.688 2.804 8.943 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.183 4.185 8.130 1.00 0.00 O ATOM 0 H ASP A 96 0.130 -0.089 5.903 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.432 1.049 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.719 1.116 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.235 2.188 7.677 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.158 2.896 5.098 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.081 3.807 3.962 1.00 0.00 C ATOM 1416 C LEU A 97 -0.960 4.823 4.153 1.00 0.00 C ATOM 1417 O LEU A 97 -1.122 5.814 4.865 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.415 4.532 3.773 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.591 5.281 2.452 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.260 5.844 1.977 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.192 4.366 1.395 1.00 0.00 C ATOM 0 H LEU A 97 -3.041 2.931 5.608 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.865 3.218 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.219 3.801 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.538 5.243 4.590 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.277 6.112 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.404 6.374 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.869 6.533 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.552 5.029 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.310 4.917 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.531 3.514 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.166 4.011 1.732 1.00 0.00 H new ATOM 1433 N ALA A 98 0.176 4.571 3.512 1.00 0.00 N ATOM 1434 CA ALA A 98 1.323 5.466 3.608 1.00 0.00 C ATOM 1435 C ALA A 98 1.218 6.603 2.597 1.00 0.00 C ATOM 1436 O ALA A 98 0.224 6.721 1.881 1.00 0.00 O ATOM 1437 CB ALA A 98 2.616 4.691 3.402 1.00 0.00 C ATOM 0 H ALA A 98 0.327 3.754 2.920 1.00 0.00 H new ATOM 0 HA ALA A 98 1.330 5.903 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.464 5.372 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.703 3.918 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.609 4.227 2.416 1.00 0.00 H new ATOM 1443 N VAL A 99 2.251 7.438 2.544 1.00 0.00 N ATOM 1444 CA VAL A 99 2.276 8.566 1.620 1.00 0.00 C ATOM 1445 C VAL A 99 3.425 8.438 0.627 1.00 0.00 C ATOM 1446 O VAL A 99 4.503 7.950 0.967 1.00 0.00 O ATOM 1447 CB VAL A 99 2.407 9.904 2.371 1.00 0.00 C ATOM 1448 CG1 VAL A 99 3.687 9.931 3.193 1.00 0.00 C ATOM 1449 CG2 VAL A 99 2.366 11.069 1.394 1.00 0.00 C ATOM 0 H VAL A 99 3.082 7.355 3.130 1.00 0.00 H new ATOM 0 HA VAL A 99 1.330 8.553 1.079 1.00 0.00 H new ATOM 0 HB VAL A 99 1.563 10.003 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.763 10.884 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.670 9.118 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.546 9.810 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.460 12.007 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.189 10.979 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.419 11.058 0.854 1.00 0.00 H new