USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 CYS SG : rot -39:sc= 0.149 USER MOD Set 1.2: A 70 CYS SG : rot -18:sc= 1.64 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -1.79 K(o=-0.28,f=0.75) USER MOD Set 1.4: A 101 CYS SG : rot 87:sc= -0.288 USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 104 LYS NZ :NH3+ -151:sc= 0.0431 (180deg=0) USER MOD Set 3.1: A 68 SER OG : rot 144:sc= 0.273 USER MOD Set 3.2: A 78 ASN : amide:sc= -0.0115 K(o=0.26,f=-2.8) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -170:sc= 1.27 (180deg=0) USER MOD Set 4.2: A 58 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 18 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.45) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.19) USER MOD Single : A 24 MET CE :methyl -138:sc= -0.453 (180deg=-3.71!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.55) USER MOD Single : A 29 MET CE :methyl 150:sc= -0.109 (180deg=-1.7) USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= 0.643 (180deg=0.131) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 1.32 (180deg=1.03) USER MOD Single : A 41 ASN : amide:sc= 0.0593 X(o=0.059,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.15) USER MOD Single : A 49 MET CE :methyl 154:sc= -0.306 (180deg=-1.05) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 0.268 (180deg=-0.258) USER MOD Single : A 53 SER OG : rot 101:sc= -4.18! USER MOD Single : A 55 ASN : amide:sc= -0.608 K(o=-0.61,f=-7.9!) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.997 (180deg=0.815) USER MOD Single : A 60 TYR OH : rot -134:sc= 0.442 USER MOD Single : A 63 GLN : amide:sc=-0.00568 X(o=-0.0057,f=0) USER MOD Single : A 64 SER OG : rot -79:sc= 0.513 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc=-0.00881 (180deg=-0.114) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 71 SER OG : rot 78:sc= -1.9! USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 CYS SG : rot -41:sc= -2.52! USER MOD Single : A 77 ASN : amide:sc= -0.0936 X(o=-0.094,f=-0.53) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.11) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -20.431 1.927 4.039 1.00 0.00 N ATOM 226 CA ASP A 16 -21.282 2.710 3.152 1.00 0.00 C ATOM 227 C ASP A 16 -20.651 4.066 2.837 1.00 0.00 C ATOM 228 O ASP A 16 -20.934 4.671 1.800 1.00 0.00 O ATOM 229 CB ASP A 16 -22.661 2.895 3.791 1.00 0.00 C ATOM 230 CG ASP A 16 -23.605 3.694 2.924 1.00 0.00 C ATOM 231 OD1 ASP A 16 -24.136 3.131 1.942 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.835 4.883 3.225 1.00 0.00 O ATOM 0 HA ASP A 16 -21.392 2.170 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -23.098 1.917 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.547 3.395 4.753 1.00 0.00 H new ATOM 237 N PHE A 17 -19.773 4.525 3.723 1.00 0.00 N ATOM 238 CA PHE A 17 -19.098 5.802 3.535 1.00 0.00 C ATOM 239 C PHE A 17 -18.180 5.752 2.320 1.00 0.00 C ATOM 240 O PHE A 17 -18.221 6.638 1.467 1.00 0.00 O ATOM 241 CB PHE A 17 -18.297 6.182 4.784 1.00 0.00 C ATOM 242 CG PHE A 17 -17.612 7.517 4.680 1.00 0.00 C ATOM 243 CD1 PHE A 17 -18.332 8.691 4.833 1.00 0.00 C ATOM 244 CD2 PHE A 17 -16.251 7.597 4.421 1.00 0.00 C ATOM 245 CE1 PHE A 17 -17.709 9.919 4.732 1.00 0.00 C ATOM 246 CE2 PHE A 17 -15.624 8.823 4.316 1.00 0.00 C ATOM 247 CZ PHE A 17 -16.354 9.986 4.473 1.00 0.00 C ATOM 0 H PHE A 17 -19.513 4.032 4.577 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.860 6.563 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -18.966 6.193 5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.548 5.413 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -19.392 8.645 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.676 6.691 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.281 10.827 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.565 8.873 4.111 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.866 10.946 4.393 1.00 0.00 H new ATOM 257 N GLN A 18 -17.364 4.705 2.234 1.00 0.00 N ATOM 258 CA GLN A 18 -16.432 4.568 1.122 1.00 0.00 C ATOM 259 C GLN A 18 -17.204 4.286 -0.159 1.00 0.00 C ATOM 260 O GLN A 18 -16.795 4.701 -1.242 1.00 0.00 O ATOM 261 CB GLN A 18 -15.388 3.471 1.402 1.00 0.00 C ATOM 262 CG GLN A 18 -15.889 2.039 1.227 1.00 0.00 C ATOM 263 CD GLN A 18 -15.682 1.473 -0.178 1.00 0.00 C ATOM 264 OE1 GLN A 18 -16.493 0.684 -0.661 1.00 0.00 O ATOM 265 NE2 GLN A 18 -14.579 1.830 -0.827 1.00 0.00 N ATOM 0 H GLN A 18 -17.330 3.946 2.915 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.886 5.504 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.536 3.625 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.024 3.590 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.379 1.397 1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.952 2.005 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.926 2.487 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.386 1.448 -1.753 1.00 0.00 H new ATOM 274 N LYS A 19 -18.334 3.595 -0.019 1.00 0.00 N ATOM 275 CA LYS A 19 -19.222 3.348 -1.143 1.00 0.00 C ATOM 276 C LYS A 19 -19.714 4.667 -1.716 1.00 0.00 C ATOM 277 O LYS A 19 -19.630 4.897 -2.914 1.00 0.00 O ATOM 278 CB LYS A 19 -20.416 2.487 -0.717 1.00 0.00 C ATOM 279 CG LYS A 19 -20.062 1.038 -0.429 1.00 0.00 C ATOM 280 CD LYS A 19 -21.300 0.221 -0.092 1.00 0.00 C ATOM 281 CE LYS A 19 -22.280 0.199 -1.257 1.00 0.00 C ATOM 282 NZ LYS A 19 -23.553 -0.481 -0.901 1.00 0.00 N ATOM 0 H LYS A 19 -18.653 3.198 0.865 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.664 2.808 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.866 2.924 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.171 2.517 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.563 0.605 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.357 0.992 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.008 -0.798 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.787 0.640 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.491 1.221 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.823 -0.309 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.192 -0.474 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.356 -1.464 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.003 0.018 -0.108 1.00 0.00 H new ATOM 296 N ARG A 20 -20.211 5.532 -0.841 1.00 0.00 N ATOM 297 CA ARG A 20 -20.696 6.849 -1.241 1.00 0.00 C ATOM 298 C ARG A 20 -19.565 7.708 -1.804 1.00 0.00 C ATOM 299 O ARG A 20 -19.720 8.346 -2.849 1.00 0.00 O ATOM 300 CB ARG A 20 -21.355 7.546 -0.043 1.00 0.00 C ATOM 301 CG ARG A 20 -21.571 9.035 -0.237 1.00 0.00 C ATOM 302 CD ARG A 20 -22.369 9.638 0.906 1.00 0.00 C ATOM 303 NE ARG A 20 -22.417 11.097 0.827 1.00 0.00 N ATOM 304 CZ ARG A 20 -23.402 11.846 1.325 1.00 0.00 C ATOM 305 NH1 ARG A 20 -24.469 11.278 1.873 1.00 0.00 N ATOM 306 NH2 ARG A 20 -23.319 13.170 1.247 1.00 0.00 N ATOM 0 H ARG A 20 -20.290 5.344 0.158 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.436 6.718 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.317 7.073 0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.735 7.391 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.606 9.536 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.094 9.208 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.384 9.240 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.925 9.340 1.856 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.646 11.574 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.540 10.261 1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.218 11.858 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.507 13.605 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.067 13.751 1.625 1.00 0.00 H new ATOM 320 N LEU A 21 -18.435 7.714 -1.108 1.00 0.00 N ATOM 321 CA LEU A 21 -17.277 8.502 -1.519 1.00 0.00 C ATOM 322 C LEU A 21 -16.807 8.124 -2.923 1.00 0.00 C ATOM 323 O LEU A 21 -16.622 8.990 -3.777 1.00 0.00 O ATOM 324 CB LEU A 21 -16.134 8.301 -0.520 1.00 0.00 C ATOM 325 CG LEU A 21 -14.777 8.852 -0.960 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.829 10.366 -1.103 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.694 8.446 0.025 1.00 0.00 C ATOM 0 H LEU A 21 -18.294 7.179 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.575 9.550 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.411 8.772 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.028 7.234 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.536 8.427 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.853 10.736 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.576 10.636 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.095 10.813 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.735 8.846 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.933 8.841 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.636 7.359 0.074 1.00 0.00 H new ATOM 339 N GLU A 22 -16.627 6.837 -3.160 1.00 0.00 N ATOM 340 CA GLU A 22 -16.198 6.359 -4.462 1.00 0.00 C ATOM 341 C GLU A 22 -17.329 6.388 -5.482 1.00 0.00 C ATOM 342 O GLU A 22 -17.077 6.491 -6.681 1.00 0.00 O ATOM 343 CB GLU A 22 -15.598 4.967 -4.344 1.00 0.00 C ATOM 344 CG GLU A 22 -14.274 4.970 -3.602 1.00 0.00 C ATOM 345 CD GLU A 22 -13.253 5.889 -4.248 1.00 0.00 C ATOM 346 OE1 GLU A 22 -12.715 5.535 -5.320 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.988 6.979 -3.694 1.00 0.00 O ATOM 0 H GLU A 22 -16.772 6.103 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.428 7.038 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.300 4.314 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.452 4.551 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.439 5.282 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.877 3.956 -3.569 1.00 0.00 H new ATOM 354 N GLN A 23 -18.567 6.282 -5.011 1.00 0.00 N ATOM 355 CA GLN A 23 -19.728 6.410 -5.882 1.00 0.00 C ATOM 356 C GLN A 23 -19.702 7.761 -6.575 1.00 0.00 C ATOM 357 O GLN A 23 -19.704 7.846 -7.803 1.00 0.00 O ATOM 358 CB GLN A 23 -21.024 6.282 -5.081 1.00 0.00 C ATOM 359 CG GLN A 23 -22.266 6.158 -5.946 1.00 0.00 C ATOM 360 CD GLN A 23 -22.337 4.835 -6.680 1.00 0.00 C ATOM 361 OE1 GLN A 23 -21.828 4.695 -7.794 1.00 0.00 O ATOM 362 NE2 GLN A 23 -22.969 3.857 -6.056 1.00 0.00 N ATOM 0 H GLN A 23 -18.791 6.108 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.690 5.611 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.955 5.409 -4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.128 7.153 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.152 6.270 -5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.282 6.972 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.375 4.019 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.051 2.940 -6.496 1.00 0.00 H new ATOM 371 N MET A 24 -19.662 8.819 -5.774 1.00 0.00 N ATOM 372 CA MET A 24 -19.603 10.168 -6.312 1.00 0.00 C ATOM 373 C MET A 24 -18.288 10.392 -7.050 1.00 0.00 C ATOM 374 O MET A 24 -18.254 11.075 -8.067 1.00 0.00 O ATOM 375 CB MET A 24 -19.793 11.220 -5.211 1.00 0.00 C ATOM 376 CG MET A 24 -18.756 11.177 -4.105 1.00 0.00 C ATOM 377 SD MET A 24 -19.063 12.411 -2.821 1.00 0.00 S ATOM 378 CE MET A 24 -18.977 13.930 -3.770 1.00 0.00 C ATOM 0 H MET A 24 -19.669 8.767 -4.755 1.00 0.00 H new ATOM 0 HA MET A 24 -20.423 10.280 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.777 12.210 -5.667 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.781 11.089 -4.769 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.749 10.184 -3.656 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.767 11.340 -4.532 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.424 14.681 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.469 13.740 -4.716 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.986 14.294 -3.966 1.00 0.00 H new ATOM 388 N LYS A 25 -17.216 9.800 -6.531 1.00 0.00 N ATOM 389 CA LYS A 25 -15.907 9.845 -7.175 1.00 0.00 C ATOM 390 C LYS A 25 -16.002 9.353 -8.620 1.00 0.00 C ATOM 391 O LYS A 25 -15.573 10.037 -9.552 1.00 0.00 O ATOM 392 CB LYS A 25 -14.921 8.968 -6.397 1.00 0.00 C ATOM 393 CG LYS A 25 -13.480 9.085 -6.861 1.00 0.00 C ATOM 394 CD LYS A 25 -12.850 10.395 -6.417 1.00 0.00 C ATOM 395 CE LYS A 25 -12.677 10.459 -4.902 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.866 9.324 -4.378 1.00 0.00 N ATOM 0 H LYS A 25 -17.230 9.277 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.555 10.877 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.973 9.232 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.234 7.927 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.901 8.250 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.441 9.013 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.879 10.512 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.472 11.227 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.198 11.400 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.657 10.453 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.603 9.512 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.423 8.447 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.004 9.219 -4.951 1.00 0.00 H new ATOM 410 N GLU A 26 -16.578 8.168 -8.793 1.00 0.00 N ATOM 411 CA GLU A 26 -16.734 7.575 -10.111 1.00 0.00 C ATOM 412 C GLU A 26 -17.707 8.384 -10.958 1.00 0.00 C ATOM 413 O GLU A 26 -17.454 8.635 -12.129 1.00 0.00 O ATOM 414 CB GLU A 26 -17.211 6.126 -10.000 1.00 0.00 C ATOM 415 CG GLU A 26 -17.552 5.511 -11.345 1.00 0.00 C ATOM 416 CD GLU A 26 -17.902 4.045 -11.259 1.00 0.00 C ATOM 417 OE1 GLU A 26 -18.935 3.705 -10.645 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.163 3.230 -11.846 1.00 0.00 O ATOM 0 H GLU A 26 -16.946 7.599 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.760 7.584 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.435 5.529 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.089 6.086 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.391 6.053 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.705 5.636 -12.019 1.00 0.00 H new ATOM 425 N LYS A 27 -18.815 8.792 -10.355 1.00 0.00 N ATOM 426 CA LYS A 27 -19.833 9.579 -11.046 1.00 0.00 C ATOM 427 C LYS A 27 -19.249 10.851 -11.644 1.00 0.00 C ATOM 428 O LYS A 27 -19.572 11.221 -12.772 1.00 0.00 O ATOM 429 CB LYS A 27 -20.978 9.932 -10.095 1.00 0.00 C ATOM 430 CG LYS A 27 -21.966 8.796 -9.879 1.00 0.00 C ATOM 431 CD LYS A 27 -23.161 9.244 -9.052 1.00 0.00 C ATOM 432 CE LYS A 27 -23.930 10.356 -9.749 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.094 10.810 -8.950 1.00 0.00 N ATOM 0 H LYS A 27 -19.035 8.590 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.219 8.966 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.561 10.227 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.512 10.796 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.310 8.423 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.465 7.968 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.823 8.396 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -22.821 9.590 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.264 11.199 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.273 10.005 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.685 11.442 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.655 9.986 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.759 11.321 -8.108 1.00 0.00 H new ATOM 447 N VAL A 28 -18.383 11.510 -10.890 1.00 0.00 N ATOM 448 CA VAL A 28 -17.739 12.723 -11.361 1.00 0.00 C ATOM 449 C VAL A 28 -16.843 12.427 -12.561 1.00 0.00 C ATOM 450 O VAL A 28 -16.884 13.137 -13.561 1.00 0.00 O ATOM 451 CB VAL A 28 -16.928 13.398 -10.237 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.124 14.566 -10.779 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.861 13.870 -9.134 1.00 0.00 C ATOM 0 H VAL A 28 -18.111 11.224 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.521 13.414 -11.674 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.232 12.666 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.560 15.027 -9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.434 14.209 -11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.800 15.302 -11.215 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.279 14.346 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.573 14.587 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.400 13.016 -8.724 1.00 0.00 H new ATOM 463 N MET A 29 -16.070 11.349 -12.486 1.00 0.00 N ATOM 464 CA MET A 29 -15.179 10.987 -13.592 1.00 0.00 C ATOM 465 C MET A 29 -15.943 10.232 -14.678 1.00 0.00 C ATOM 466 O MET A 29 -15.370 9.805 -15.682 1.00 0.00 O ATOM 467 CB MET A 29 -13.993 10.153 -13.095 1.00 0.00 C ATOM 468 CG MET A 29 -14.380 8.799 -12.522 1.00 0.00 C ATOM 469 SD MET A 29 -12.956 7.853 -11.949 1.00 0.00 S ATOM 470 CE MET A 29 -12.320 8.932 -10.668 1.00 0.00 C ATOM 0 H MET A 29 -16.039 10.717 -11.686 1.00 0.00 H new ATOM 0 HA MET A 29 -14.789 11.910 -14.021 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.299 10.000 -13.921 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.460 10.719 -12.331 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.072 8.944 -11.692 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.910 8.225 -13.282 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.833 8.334 -9.897 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.598 9.624 -11.101 1.00 0.00 H new ATOM 0 HE3 MET A 29 -13.142 9.495 -10.225 1.00 0.00 H new ATOM 480 N LYS A 30 -17.240 10.080 -14.461 1.00 0.00 N ATOM 481 CA LYS A 30 -18.122 9.413 -15.404 1.00 0.00 C ATOM 482 C LYS A 30 -18.784 10.438 -16.314 1.00 0.00 C ATOM 483 O LYS A 30 -19.107 10.141 -17.467 1.00 0.00 O ATOM 484 CB LYS A 30 -19.210 8.638 -14.652 1.00 0.00 C ATOM 485 CG LYS A 30 -19.397 7.207 -15.121 1.00 0.00 C ATOM 486 CD LYS A 30 -18.221 6.333 -14.721 1.00 0.00 C ATOM 487 CE LYS A 30 -18.525 4.865 -14.965 1.00 0.00 C ATOM 488 NZ LYS A 30 -17.404 3.978 -14.552 1.00 0.00 N ATOM 0 H LYS A 30 -17.712 10.417 -13.622 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.528 8.721 -16.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.965 8.630 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.156 9.169 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.315 6.801 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.512 7.190 -16.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.337 6.624 -15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.989 6.490 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.425 4.587 -14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.736 4.711 -16.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.312 3.196 -15.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.519 4.524 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.597 3.593 -13.605 1.00 0.00 H new ATOM 502 N ASP A 31 -18.971 11.647 -15.790 1.00 0.00 N ATOM 503 CA ASP A 31 -19.688 12.691 -16.508 1.00 0.00 C ATOM 504 C ASP A 31 -18.933 13.135 -17.744 1.00 0.00 C ATOM 505 O ASP A 31 -17.706 13.221 -17.749 1.00 0.00 O ATOM 506 CB ASP A 31 -19.952 13.901 -15.622 1.00 0.00 C ATOM 507 CG ASP A 31 -20.657 15.005 -16.391 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.843 14.829 -16.740 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.018 16.033 -16.682 1.00 0.00 O ATOM 0 H ASP A 31 -18.634 11.926 -14.868 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.642 12.259 -16.810 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.561 13.603 -14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.009 14.276 -15.225 1.00 0.00 H new ATOM 514 N GLN A 32 -19.699 13.440 -18.775 1.00 0.00 N ATOM 515 CA GLN A 32 -19.172 13.797 -20.079 1.00 0.00 C ATOM 516 C GLN A 32 -18.472 15.155 -20.046 1.00 0.00 C ATOM 517 O GLN A 32 -17.351 15.297 -20.537 1.00 0.00 O ATOM 518 CB GLN A 32 -20.326 13.807 -21.085 1.00 0.00 C ATOM 519 CG GLN A 32 -21.090 12.491 -21.122 1.00 0.00 C ATOM 520 CD GLN A 32 -22.487 12.625 -21.701 1.00 0.00 C ATOM 521 OE1 GLN A 32 -22.748 13.470 -22.558 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.401 11.792 -21.227 1.00 0.00 N ATOM 0 H GLN A 32 -20.718 13.447 -18.730 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.425 13.061 -20.377 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -21.014 14.614 -20.833 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.933 14.022 -22.079 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.527 11.768 -21.713 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.160 12.091 -20.111 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.146 11.105 -20.517 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.360 11.837 -21.572 1.00 0.00 H new ATOM 531 N ASP A 33 -19.125 16.141 -19.442 1.00 0.00 N ATOM 532 CA ASP A 33 -18.589 17.500 -19.398 1.00 0.00 C ATOM 533 C ASP A 33 -17.396 17.579 -18.462 1.00 0.00 C ATOM 534 O ASP A 33 -16.386 18.209 -18.782 1.00 0.00 O ATOM 535 CB ASP A 33 -19.658 18.502 -18.953 1.00 0.00 C ATOM 536 CG ASP A 33 -20.615 18.898 -20.063 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.352 18.554 -21.241 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.619 19.582 -19.765 1.00 0.00 O ATOM 0 H ASP A 33 -20.025 16.027 -18.976 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.268 17.757 -20.407 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.227 18.072 -18.129 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.169 19.397 -18.569 1.00 0.00 H new ATOM 543 N VAL A 34 -17.516 16.931 -17.308 1.00 0.00 N ATOM 544 CA VAL A 34 -16.448 16.922 -16.318 1.00 0.00 C ATOM 545 C VAL A 34 -15.141 16.394 -16.901 1.00 0.00 C ATOM 546 O VAL A 34 -14.114 17.071 -16.841 1.00 0.00 O ATOM 547 CB VAL A 34 -16.829 16.089 -15.076 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.616 15.861 -14.186 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.929 16.779 -14.292 1.00 0.00 C ATOM 0 H VAL A 34 -18.346 16.404 -17.036 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.303 17.959 -16.015 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.195 15.120 -15.417 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.908 15.272 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.849 15.326 -14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.221 16.822 -13.857 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.186 16.178 -13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.584 17.761 -13.968 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.809 16.895 -14.925 1.00 0.00 H new ATOM 559 N GLN A 35 -15.177 15.199 -17.480 1.00 0.00 N ATOM 560 CA GLN A 35 -13.960 14.576 -17.988 1.00 0.00 C ATOM 561 C GLN A 35 -13.381 15.361 -19.159 1.00 0.00 C ATOM 562 O GLN A 35 -12.164 15.385 -19.360 1.00 0.00 O ATOM 563 CB GLN A 35 -14.211 13.123 -18.379 1.00 0.00 C ATOM 564 CG GLN A 35 -15.255 12.930 -19.464 1.00 0.00 C ATOM 565 CD GLN A 35 -15.742 11.496 -19.555 1.00 0.00 C ATOM 566 OE1 GLN A 35 -16.068 11.009 -20.636 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.836 10.821 -18.416 1.00 0.00 N ATOM 0 H GLN A 35 -16.025 14.647 -17.609 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.224 14.588 -17.184 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.272 12.684 -18.715 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.522 12.571 -17.492 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.103 13.586 -19.268 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.835 13.229 -20.424 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.556 11.259 -17.539 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.189 9.864 -18.418 1.00 0.00 H new ATOM 576 N ALA A 36 -14.255 16.006 -19.920 1.00 0.00 N ATOM 577 CA ALA A 36 -13.821 16.895 -20.991 1.00 0.00 C ATOM 578 C ALA A 36 -13.023 18.060 -20.415 1.00 0.00 C ATOM 579 O ALA A 36 -11.969 18.421 -20.930 1.00 0.00 O ATOM 580 CB ALA A 36 -15.021 17.405 -21.780 1.00 0.00 C ATOM 0 H ALA A 36 -15.267 15.931 -19.817 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.178 16.336 -21.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.679 18.067 -22.575 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.556 16.561 -22.216 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.688 17.952 -21.114 1.00 0.00 H new ATOM 586 N PHE A 37 -13.527 18.629 -19.330 1.00 0.00 N ATOM 587 CA PHE A 37 -12.839 19.711 -18.636 1.00 0.00 C ATOM 588 C PHE A 37 -11.510 19.224 -18.061 1.00 0.00 C ATOM 589 O PHE A 37 -10.506 19.938 -18.102 1.00 0.00 O ATOM 590 CB PHE A 37 -13.729 20.265 -17.518 1.00 0.00 C ATOM 591 CG PHE A 37 -13.021 21.191 -16.570 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.716 22.489 -16.940 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.664 20.756 -15.304 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.069 23.339 -16.062 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.019 21.602 -14.423 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.720 22.894 -14.803 1.00 0.00 C ATOM 0 H PHE A 37 -14.415 18.358 -18.908 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.631 20.506 -19.352 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.569 20.795 -17.967 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.144 19.431 -16.952 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.986 22.842 -17.924 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.893 19.744 -15.003 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.837 24.350 -16.361 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.749 21.252 -13.438 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.214 23.556 -14.116 1.00 0.00 H new ATOM 606 N LEU A 38 -11.518 18.006 -17.532 1.00 0.00 N ATOM 607 CA LEU A 38 -10.326 17.404 -16.943 1.00 0.00 C ATOM 608 C LEU A 38 -9.185 17.317 -17.949 1.00 0.00 C ATOM 609 O LEU A 38 -8.079 17.773 -17.675 1.00 0.00 O ATOM 610 CB LEU A 38 -10.638 16.009 -16.393 1.00 0.00 C ATOM 611 CG LEU A 38 -10.846 15.935 -14.876 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.581 16.359 -14.146 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.022 16.797 -14.445 1.00 0.00 C ATOM 0 H LEU A 38 -12.345 17.410 -17.499 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.010 18.050 -16.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.536 15.635 -16.885 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.823 15.339 -16.665 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.070 14.901 -14.614 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.745 16.301 -13.070 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.761 15.697 -14.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.329 17.383 -14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.148 16.727 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.833 17.834 -14.722 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.929 16.449 -14.939 1.00 0.00 H new ATOM 625 N LYS A 39 -9.459 16.748 -19.119 1.00 0.00 N ATOM 626 CA LYS A 39 -8.420 16.568 -20.132 1.00 0.00 C ATOM 627 C LYS A 39 -7.959 17.915 -20.679 1.00 0.00 C ATOM 628 O LYS A 39 -6.815 18.070 -21.098 1.00 0.00 O ATOM 629 CB LYS A 39 -8.904 15.662 -21.274 1.00 0.00 C ATOM 630 CG LYS A 39 -10.081 16.214 -22.065 1.00 0.00 C ATOM 631 CD LYS A 39 -10.472 15.278 -23.200 1.00 0.00 C ATOM 632 CE LYS A 39 -11.683 15.788 -23.969 1.00 0.00 C ATOM 633 NZ LYS A 39 -11.414 17.072 -24.670 1.00 0.00 N ATOM 0 H LYS A 39 -10.381 16.406 -19.389 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.572 16.080 -19.652 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.074 15.487 -21.958 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.184 14.694 -20.858 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.933 16.359 -21.400 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.823 17.192 -22.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.630 15.165 -23.883 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.689 14.289 -22.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.989 15.037 -24.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.517 15.922 -23.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.133 17.223 -25.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.449 17.855 -23.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.472 17.037 -25.108 1.00 0.00 H new ATOM 647 N GLU A 40 -8.854 18.893 -20.653 1.00 0.00 N ATOM 648 CA GLU A 40 -8.546 20.239 -21.114 1.00 0.00 C ATOM 649 C GLU A 40 -7.632 20.977 -20.136 1.00 0.00 C ATOM 650 O GLU A 40 -6.864 21.859 -20.527 1.00 0.00 O ATOM 651 CB GLU A 40 -9.844 21.020 -21.287 1.00 0.00 C ATOM 652 CG GLU A 40 -10.166 21.368 -22.725 1.00 0.00 C ATOM 653 CD GLU A 40 -10.291 20.145 -23.607 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.349 19.486 -23.571 1.00 0.00 O ATOM 655 OE2 GLU A 40 -9.329 19.835 -24.338 1.00 0.00 O ATOM 0 H GLU A 40 -9.809 18.777 -20.314 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.021 20.160 -22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.666 20.436 -20.873 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.783 21.940 -20.706 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.098 21.932 -22.758 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.386 22.018 -23.121 1.00 0.00 H new ATOM 662 N ASN A 41 -7.725 20.614 -18.867 1.00 0.00 N ATOM 663 CA ASN A 41 -6.994 21.308 -17.810 1.00 0.00 C ATOM 664 C ASN A 41 -6.103 20.360 -17.028 1.00 0.00 C ATOM 665 O ASN A 41 -5.770 20.622 -15.872 1.00 0.00 O ATOM 666 CB ASN A 41 -7.974 21.994 -16.860 1.00 0.00 C ATOM 667 CG ASN A 41 -8.642 23.197 -17.494 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.168 24.323 -17.367 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.744 22.964 -18.187 1.00 0.00 N ATOM 0 H ASN A 41 -8.302 19.839 -18.539 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.357 22.055 -18.284 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.736 21.279 -16.550 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.445 22.307 -15.960 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.234 23.735 -18.641 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.104 22.013 -18.268 1.00 0.00 H new ATOM 676 N GLU A 42 -5.679 19.283 -17.674 1.00 0.00 N ATOM 677 CA GLU A 42 -4.855 18.266 -17.015 1.00 0.00 C ATOM 678 C GLU A 42 -3.486 18.827 -16.648 1.00 0.00 C ATOM 679 O GLU A 42 -2.754 18.249 -15.841 1.00 0.00 O ATOM 680 CB GLU A 42 -4.698 17.041 -17.914 1.00 0.00 C ATOM 681 CG GLU A 42 -4.079 17.346 -19.270 1.00 0.00 C ATOM 682 CD GLU A 42 -3.803 16.091 -20.068 1.00 0.00 C ATOM 683 OE1 GLU A 42 -2.698 15.528 -19.926 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.688 15.653 -20.825 1.00 0.00 O ATOM 0 H GLU A 42 -5.889 19.086 -18.653 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.360 17.966 -16.097 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.081 16.303 -17.402 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.677 16.587 -18.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.749 17.994 -19.836 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.149 17.896 -19.127 1.00 0.00 H new ATOM 691 N GLU A 43 -3.155 19.957 -17.251 1.00 0.00 N ATOM 692 CA GLU A 43 -1.926 20.664 -16.955 1.00 0.00 C ATOM 693 C GLU A 43 -2.002 21.293 -15.570 1.00 0.00 C ATOM 694 O GLU A 43 -1.011 21.348 -14.840 1.00 0.00 O ATOM 695 CB GLU A 43 -1.703 21.752 -18.008 1.00 0.00 C ATOM 696 CG GLU A 43 -0.507 22.651 -17.740 1.00 0.00 C ATOM 697 CD GLU A 43 -0.511 23.877 -18.627 1.00 0.00 C ATOM 698 OE1 GLU A 43 -0.054 23.778 -19.784 1.00 0.00 O ATOM 699 OE2 GLU A 43 -0.988 24.941 -18.177 1.00 0.00 O ATOM 0 H GLU A 43 -3.733 20.408 -17.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.093 19.961 -16.974 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.575 21.278 -18.981 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.599 22.369 -18.070 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.512 22.960 -16.695 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.413 22.089 -17.902 1.00 0.00 H new ATOM 706 N VAL A 44 -3.195 21.737 -15.206 1.00 0.00 N ATOM 707 CA VAL A 44 -3.381 22.511 -13.988 1.00 0.00 C ATOM 708 C VAL A 44 -3.975 21.657 -12.872 1.00 0.00 C ATOM 709 O VAL A 44 -3.575 21.765 -11.714 1.00 0.00 O ATOM 710 CB VAL A 44 -4.297 23.724 -14.245 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.313 24.652 -13.040 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.860 24.471 -15.499 1.00 0.00 C ATOM 0 H VAL A 44 -4.050 21.574 -15.737 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.397 22.861 -13.675 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.312 23.359 -14.403 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.966 25.501 -13.243 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.682 24.111 -12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.302 25.010 -12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.519 25.324 -15.663 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.836 24.823 -15.375 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.912 23.802 -16.358 1.00 0.00 H new ATOM 722 N ILE A 45 -4.913 20.795 -13.232 1.00 0.00 N ATOM 723 CA ILE A 45 -5.627 19.996 -12.245 1.00 0.00 C ATOM 724 C ILE A 45 -4.759 18.853 -11.734 1.00 0.00 C ATOM 725 O ILE A 45 -4.061 18.195 -12.505 1.00 0.00 O ATOM 726 CB ILE A 45 -6.937 19.424 -12.819 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.816 20.548 -13.368 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.688 18.640 -11.750 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.068 20.047 -14.053 1.00 0.00 C ATOM 0 H ILE A 45 -5.198 20.630 -14.197 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.870 20.661 -11.416 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.688 18.747 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.098 21.212 -12.551 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.236 21.141 -14.075 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.611 18.242 -12.172 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.066 17.817 -11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.925 19.299 -10.915 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.647 20.895 -14.419 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.793 19.406 -14.891 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.668 19.478 -13.343 1.00 0.00 H new ATOM 741 N ASP A 46 -4.819 18.619 -10.433 1.00 0.00 N ATOM 742 CA ASP A 46 -4.018 17.584 -9.803 1.00 0.00 C ATOM 743 C ASP A 46 -4.896 16.726 -8.900 1.00 0.00 C ATOM 744 O ASP A 46 -6.106 16.947 -8.821 1.00 0.00 O ATOM 745 CB ASP A 46 -2.879 18.218 -8.995 1.00 0.00 C ATOM 746 CG ASP A 46 -3.255 18.498 -7.553 1.00 0.00 C ATOM 747 OD1 ASP A 46 -4.099 19.380 -7.311 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.715 17.811 -6.659 1.00 0.00 O ATOM 0 H ASP A 46 -5.418 19.136 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.584 16.949 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.014 17.555 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.578 19.150 -9.473 1.00 0.00 H new ATOM 753 N GLN A 47 -4.286 15.761 -8.217 1.00 0.00 N ATOM 754 CA GLN A 47 -5.011 14.875 -7.312 1.00 0.00 C ATOM 755 C GLN A 47 -5.736 15.661 -6.221 1.00 0.00 C ATOM 756 O GLN A 47 -6.883 15.356 -5.879 1.00 0.00 O ATOM 757 CB GLN A 47 -4.050 13.881 -6.662 1.00 0.00 C ATOM 758 CG GLN A 47 -3.465 12.862 -7.625 1.00 0.00 C ATOM 759 CD GLN A 47 -2.487 11.930 -6.937 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.877 10.893 -6.398 1.00 0.00 O ATOM 761 NE2 GLN A 47 -1.214 12.290 -6.948 1.00 0.00 N ATOM 0 H GLN A 47 -3.285 15.572 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.753 14.339 -7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.235 14.433 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.575 13.353 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.271 12.278 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.960 13.381 -8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.933 13.157 -7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.513 11.700 -6.499 1.00 0.00 H new ATOM 770 N LYS A 48 -5.068 16.675 -5.684 1.00 0.00 N ATOM 771 CA LYS A 48 -5.626 17.466 -4.596 1.00 0.00 C ATOM 772 C LYS A 48 -6.767 18.335 -5.098 1.00 0.00 C ATOM 773 O LYS A 48 -7.798 18.464 -4.440 1.00 0.00 O ATOM 774 CB LYS A 48 -4.551 18.343 -3.955 1.00 0.00 C ATOM 775 CG LYS A 48 -3.396 17.572 -3.320 1.00 0.00 C ATOM 776 CD LYS A 48 -3.879 16.481 -2.373 1.00 0.00 C ATOM 777 CE LYS A 48 -3.909 15.119 -3.057 1.00 0.00 C ATOM 778 NZ LYS A 48 -4.407 14.047 -2.158 1.00 0.00 N ATOM 0 H LYS A 48 -4.139 16.968 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.010 16.777 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.149 19.014 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.017 18.967 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.786 17.125 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.756 18.265 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.224 16.438 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.876 16.729 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.544 15.173 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.906 14.865 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.457 13.150 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.759 13.941 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.354 14.298 -1.810 1.00 0.00 H new ATOM 792 N MET A 49 -6.567 18.928 -6.269 1.00 0.00 N ATOM 793 CA MET A 49 -7.575 19.740 -6.919 1.00 0.00 C ATOM 794 C MET A 49 -8.867 18.945 -7.118 1.00 0.00 C ATOM 795 O MET A 49 -9.964 19.488 -7.005 1.00 0.00 O ATOM 796 CB MET A 49 -7.033 20.217 -8.265 1.00 0.00 C ATOM 797 CG MET A 49 -7.877 21.284 -8.910 1.00 0.00 C ATOM 798 SD MET A 49 -7.791 22.858 -8.039 1.00 0.00 S ATOM 799 CE MET A 49 -6.050 23.248 -8.220 1.00 0.00 C ATOM 0 H MET A 49 -5.695 18.855 -6.793 1.00 0.00 H new ATOM 0 HA MET A 49 -7.806 20.599 -6.289 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.022 20.600 -8.125 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.960 19.365 -8.941 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.552 21.425 -9.941 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.914 20.949 -8.946 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.912 24.328 -8.169 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.485 22.771 -7.419 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.693 22.882 -9.183 1.00 0.00 H new ATOM 809 N ILE A 50 -8.722 17.656 -7.409 1.00 0.00 N ATOM 810 CA ILE A 50 -9.868 16.770 -7.569 1.00 0.00 C ATOM 811 C ILE A 50 -10.642 16.640 -6.261 1.00 0.00 C ATOM 812 O ILE A 50 -11.861 16.791 -6.237 1.00 0.00 O ATOM 813 CB ILE A 50 -9.437 15.362 -8.042 1.00 0.00 C ATOM 814 CG1 ILE A 50 -8.804 15.433 -9.433 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.622 14.400 -8.045 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.752 15.917 -10.511 1.00 0.00 C ATOM 0 H ILE A 50 -7.818 17.201 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.509 17.216 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.694 14.984 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.941 16.098 -9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.434 14.444 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.292 13.417 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.029 14.321 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.393 14.774 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.232 15.941 -11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.604 15.240 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.103 16.919 -10.264 1.00 0.00 H new ATOM 828 N GLU A 51 -9.927 16.365 -5.175 1.00 0.00 N ATOM 829 CA GLU A 51 -10.560 16.187 -3.871 1.00 0.00 C ATOM 830 C GLU A 51 -11.129 17.510 -3.357 1.00 0.00 C ATOM 831 O GLU A 51 -12.202 17.542 -2.753 1.00 0.00 O ATOM 832 CB GLU A 51 -9.560 15.607 -2.869 1.00 0.00 C ATOM 833 CG GLU A 51 -8.959 14.281 -3.319 1.00 0.00 C ATOM 834 CD GLU A 51 -8.091 13.632 -2.262 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.029 14.195 -1.926 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.460 12.541 -1.773 1.00 0.00 O ATOM 0 H GLU A 51 -8.912 16.261 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.386 15.485 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.757 16.327 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.057 15.466 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.764 13.597 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.365 14.445 -4.218 1.00 0.00 H new ATOM 843 N LYS A 52 -10.405 18.596 -3.611 1.00 0.00 N ATOM 844 CA LYS A 52 -10.854 19.936 -3.246 1.00 0.00 C ATOM 845 C LYS A 52 -12.187 20.263 -3.913 1.00 0.00 C ATOM 846 O LYS A 52 -13.128 20.720 -3.265 1.00 0.00 O ATOM 847 CB LYS A 52 -9.803 20.974 -3.665 1.00 0.00 C ATOM 848 CG LYS A 52 -10.298 22.415 -3.618 1.00 0.00 C ATOM 849 CD LYS A 52 -10.416 22.934 -2.193 1.00 0.00 C ATOM 850 CE LYS A 52 -9.077 23.433 -1.671 1.00 0.00 C ATOM 851 NZ LYS A 52 -8.588 24.606 -2.448 1.00 0.00 N ATOM 0 H LYS A 52 -9.496 18.573 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.988 19.967 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.934 20.878 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.469 20.749 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.614 23.051 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.269 22.480 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.146 23.743 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.788 22.141 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.175 23.707 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.343 22.629 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.893 25.133 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.140 24.278 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.389 25.228 -2.679 1.00 0.00 H new ATOM 865 N SER A 53 -12.261 20.013 -5.208 1.00 0.00 N ATOM 866 CA SER A 53 -13.420 20.398 -5.988 1.00 0.00 C ATOM 867 C SER A 53 -14.378 19.224 -6.198 1.00 0.00 C ATOM 868 O SER A 53 -15.253 19.284 -7.060 1.00 0.00 O ATOM 869 CB SER A 53 -12.963 20.957 -7.339 1.00 0.00 C ATOM 870 OG SER A 53 -14.060 21.420 -8.106 1.00 0.00 O ATOM 0 H SER A 53 -11.529 19.544 -5.742 1.00 0.00 H new ATOM 0 HA SER A 53 -13.962 21.166 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.260 21.774 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.431 20.184 -7.893 1.00 0.00 H new ATOM 0 HG SER A 53 -14.112 22.397 -8.046 1.00 0.00 H new ATOM 876 N LEU A 54 -14.234 18.174 -5.397 1.00 0.00 N ATOM 877 CA LEU A 54 -15.084 16.995 -5.533 1.00 0.00 C ATOM 878 C LEU A 54 -16.550 17.368 -5.330 1.00 0.00 C ATOM 879 O LEU A 54 -17.431 16.864 -6.027 1.00 0.00 O ATOM 880 CB LEU A 54 -14.668 15.908 -4.534 1.00 0.00 C ATOM 881 CG LEU A 54 -15.426 14.584 -4.659 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.283 14.013 -6.061 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.929 13.583 -3.628 1.00 0.00 C ATOM 0 H LEU A 54 -13.541 18.114 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.961 16.600 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.603 15.712 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.806 16.293 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.482 14.779 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.829 13.072 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.688 14.720 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.229 13.837 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.480 12.648 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.866 13.397 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.084 13.985 -2.627 1.00 0.00 H new ATOM 895 N ASN A 55 -16.803 18.273 -4.392 1.00 0.00 N ATOM 896 CA ASN A 55 -18.163 18.726 -4.122 1.00 0.00 C ATOM 897 C ASN A 55 -18.663 19.662 -5.223 1.00 0.00 C ATOM 898 O ASN A 55 -19.833 19.620 -5.589 1.00 0.00 O ATOM 899 CB ASN A 55 -18.268 19.393 -2.738 1.00 0.00 C ATOM 900 CG ASN A 55 -17.176 20.414 -2.459 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.661 21.070 -3.364 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.811 20.554 -1.195 1.00 0.00 N ATOM 0 H ASN A 55 -16.088 18.706 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.806 17.846 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.238 19.882 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.233 18.620 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.082 21.222 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.259 19.994 -0.470 1.00 0.00 H new ATOM 909 N LYS A 56 -17.763 20.481 -5.766 1.00 0.00 N ATOM 910 CA LYS A 56 -18.099 21.388 -6.864 1.00 0.00 C ATOM 911 C LYS A 56 -18.433 20.607 -8.128 1.00 0.00 C ATOM 912 O LYS A 56 -19.436 20.874 -8.788 1.00 0.00 O ATOM 913 CB LYS A 56 -16.937 22.342 -7.154 1.00 0.00 C ATOM 914 CG LYS A 56 -16.740 23.429 -6.112 1.00 0.00 C ATOM 915 CD LYS A 56 -17.895 24.415 -6.116 1.00 0.00 C ATOM 916 CE LYS A 56 -17.639 25.576 -5.172 1.00 0.00 C ATOM 917 NZ LYS A 56 -16.465 26.390 -5.587 1.00 0.00 N ATOM 0 H LYS A 56 -16.791 20.535 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.971 21.966 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.018 21.761 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.102 22.811 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.649 22.977 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.807 23.958 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.048 24.793 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.812 23.903 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.524 26.211 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.476 25.194 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.428 27.261 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.593 25.843 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.552 26.636 -6.594 1.00 0.00 H new ATOM 931 N LEU A 57 -17.589 19.637 -8.449 1.00 0.00 N ATOM 932 CA LEU A 57 -17.760 18.834 -9.651 1.00 0.00 C ATOM 933 C LEU A 57 -19.021 17.984 -9.554 1.00 0.00 C ATOM 934 O LEU A 57 -19.752 17.829 -10.530 1.00 0.00 O ATOM 935 CB LEU A 57 -16.532 17.945 -9.869 1.00 0.00 C ATOM 936 CG LEU A 57 -15.209 18.697 -10.067 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.052 17.720 -10.202 1.00 0.00 C ATOM 938 CD2 LEU A 57 -15.285 19.604 -11.288 1.00 0.00 C ATOM 0 H LEU A 57 -16.774 19.386 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.865 19.504 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.428 17.279 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.708 17.316 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.035 19.317 -9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.123 18.273 -10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.981 17.113 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.221 17.072 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.337 20.128 -11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.486 19.004 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.087 20.330 -11.153 1.00 0.00 H new ATOM 950 N TYR A 58 -19.284 17.452 -8.367 1.00 0.00 N ATOM 951 CA TYR A 58 -20.466 16.633 -8.159 1.00 0.00 C ATOM 952 C TYR A 58 -21.720 17.502 -8.176 1.00 0.00 C ATOM 953 O TYR A 58 -22.755 17.104 -8.705 1.00 0.00 O ATOM 954 CB TYR A 58 -20.371 15.862 -6.842 1.00 0.00 C ATOM 955 CG TYR A 58 -21.383 14.747 -6.738 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.264 13.615 -7.527 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.459 14.829 -5.862 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.187 12.593 -7.453 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.388 13.809 -5.779 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.247 12.693 -6.575 1.00 0.00 C ATOM 961 OH TYR A 58 -24.171 11.676 -6.500 1.00 0.00 O ATOM 0 H TYR A 58 -18.698 17.573 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.528 15.910 -8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.368 15.446 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.513 16.553 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.434 13.531 -8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.571 15.703 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.081 11.719 -8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.220 13.886 -5.094 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.853 11.902 -5.833 1.00 0.00 H new ATOM 971 N GLU A 59 -21.612 18.697 -7.607 1.00 0.00 N ATOM 972 CA GLU A 59 -22.713 19.649 -7.610 1.00 0.00 C ATOM 973 C GLU A 59 -23.026 20.073 -9.042 1.00 0.00 C ATOM 974 O GLU A 59 -24.182 20.258 -9.412 1.00 0.00 O ATOM 975 CB GLU A 59 -22.354 20.866 -6.753 1.00 0.00 C ATOM 976 CG GLU A 59 -23.519 21.799 -6.477 1.00 0.00 C ATOM 977 CD GLU A 59 -23.159 22.894 -5.493 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.924 22.579 -4.309 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.100 24.072 -5.897 1.00 0.00 O ATOM 0 H GLU A 59 -20.770 19.029 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.599 19.177 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.948 20.520 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.564 21.427 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.850 22.249 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.358 21.223 -6.086 1.00 0.00 H new ATOM 986 N TYR A 60 -21.979 20.203 -9.844 1.00 0.00 N ATOM 987 CA TYR A 60 -22.117 20.524 -11.258 1.00 0.00 C ATOM 988 C TYR A 60 -23.003 19.509 -11.969 1.00 0.00 C ATOM 989 O TYR A 60 -23.957 19.879 -12.652 1.00 0.00 O ATOM 990 CB TYR A 60 -20.732 20.568 -11.914 1.00 0.00 C ATOM 991 CG TYR A 60 -20.755 20.730 -13.416 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.053 21.954 -13.999 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.455 19.661 -14.253 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.052 22.108 -15.370 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.456 19.806 -15.624 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.755 21.031 -16.179 1.00 0.00 C ATOM 997 OH TYR A 60 -20.749 21.185 -17.546 1.00 0.00 O ATOM 0 H TYR A 60 -21.014 20.090 -9.535 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.592 21.501 -11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.165 21.392 -11.481 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.198 19.650 -11.668 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.289 22.799 -13.369 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.217 18.700 -13.821 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.283 23.068 -15.808 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.224 18.964 -16.259 1.00 0.00 H new ATOM 0 HH TYR A 60 -21.230 20.439 -17.961 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.693 18.231 -11.792 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.392 17.177 -12.509 1.00 0.00 C ATOM 1009 C ILE A 61 -24.793 16.931 -11.949 1.00 0.00 C ATOM 1010 O ILE A 61 -25.690 16.518 -12.682 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.590 15.854 -12.527 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.442 15.268 -11.118 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.222 16.088 -13.148 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.730 13.931 -11.088 1.00 0.00 C ATOM 0 H ILE A 61 -21.964 17.902 -11.159 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.492 17.529 -13.536 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.141 15.131 -13.129 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.895 15.976 -10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.432 15.153 -10.676 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.662 15.153 -13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.343 16.449 -14.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.679 16.830 -12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.662 13.578 -10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.288 13.208 -11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.727 14.044 -11.500 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.983 17.173 -10.652 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.287 16.953 -10.035 1.00 0.00 C ATOM 1028 C GLU A 62 -27.235 18.119 -10.317 1.00 0.00 C ATOM 1029 O GLU A 62 -28.438 18.024 -10.062 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.167 16.728 -8.524 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.770 17.965 -7.739 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.040 17.817 -6.257 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -27.224 17.894 -5.864 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -25.080 17.627 -5.480 1.00 0.00 O ATOM 0 H GLU A 62 -24.261 17.516 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.702 16.049 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.122 16.363 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.431 15.945 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.710 18.166 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.318 18.826 -8.121 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.690 19.226 -10.811 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.513 20.353 -11.231 1.00 0.00 C ATOM 1043 C GLN A 63 -27.984 20.165 -12.670 1.00 0.00 C ATOM 1044 O GLN A 63 -27.698 19.148 -13.304 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.748 21.676 -11.122 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.484 22.133 -9.698 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.833 23.504 -9.647 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.515 24.525 -9.574 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.512 23.538 -9.691 1.00 0.00 N ATOM 0 H GLN A 63 -25.687 19.366 -10.930 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.375 20.391 -10.565 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.795 21.574 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.312 22.451 -11.641 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.424 22.158 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.841 21.408 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.981 22.669 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.024 24.433 -9.665 1.00 0.00 H new ATOM 1058 N SER A 64 -28.701 21.151 -13.182 1.00 0.00 N ATOM 1059 CA SER A 64 -29.177 21.106 -14.550 1.00 0.00 C ATOM 1060 C SER A 64 -28.127 21.676 -15.494 1.00 0.00 C ATOM 1061 O SER A 64 -27.916 22.886 -15.541 1.00 0.00 O ATOM 1062 CB SER A 64 -30.487 21.890 -14.681 1.00 0.00 C ATOM 1063 OG SER A 64 -30.958 21.895 -16.018 1.00 0.00 O ATOM 0 H SER A 64 -28.965 21.992 -12.669 1.00 0.00 H new ATOM 0 HA SER A 64 -29.362 20.066 -14.820 1.00 0.00 H new ATOM 0 HB2 SER A 64 -31.242 21.450 -14.030 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.334 22.915 -14.344 1.00 0.00 H new ATOM 0 HG SER A 64 -30.457 22.557 -16.539 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.453 20.795 -16.225 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.500 21.225 -17.238 1.00 0.00 C ATOM 1071 C LYS A 65 -27.237 21.872 -18.406 1.00 0.00 C ATOM 1072 O LYS A 65 -26.682 22.700 -19.122 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.642 20.050 -17.728 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.434 18.935 -18.395 1.00 0.00 C ATOM 1075 CD LYS A 65 -25.537 17.774 -18.798 1.00 0.00 C ATOM 1076 CE LYS A 65 -24.527 18.177 -19.864 1.00 0.00 C ATOM 1077 NZ LYS A 65 -25.180 18.536 -21.153 1.00 0.00 N ATOM 0 H LYS A 65 -27.549 19.784 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.832 21.960 -16.789 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -24.900 20.425 -18.433 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -25.095 19.636 -16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -27.207 18.579 -17.714 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -26.942 19.326 -19.277 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.009 17.402 -17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -26.151 16.954 -19.171 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.943 19.025 -19.506 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.829 17.356 -20.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.456 18.638 -21.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -25.848 17.787 -21.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -25.693 19.434 -21.044 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.492 21.476 -18.596 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.339 22.076 -19.616 1.00 0.00 C ATOM 1093 C ASN A 66 -29.957 23.362 -19.085 1.00 0.00 C ATOM 1094 O ASN A 66 -29.703 23.763 -17.951 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.456 21.115 -20.042 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.936 19.869 -20.729 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -28.895 19.898 -21.381 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.657 18.766 -20.594 1.00 0.00 N ATOM 0 H ASN A 66 -28.944 20.740 -18.054 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.718 22.294 -20.485 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -31.033 20.825 -19.164 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -31.139 21.635 -20.714 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.353 17.900 -21.040 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -31.516 18.782 -20.044 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.784 24.004 -19.893 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.445 25.222 -19.464 1.00 0.00 C ATOM 1107 C CYS A 67 -32.810 25.319 -20.103 1.00 0.00 C ATOM 1108 O CYS A 67 -33.020 24.797 -21.197 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.632 26.466 -19.817 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.959 27.133 -21.483 1.00 0.00 S ATOM 0 H CYS A 67 -31.011 23.705 -20.841 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.541 25.177 -18.379 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.841 27.242 -19.081 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.572 26.227 -19.736 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.107 26.151 -22.322 1.00 0.00 H new ATOM 1115 N SER A 68 -33.693 26.042 -19.445 1.00 0.00 N ATOM 1116 CA SER A 68 -35.094 26.152 -19.847 1.00 0.00 C ATOM 1117 C SER A 68 -35.248 26.626 -21.290 1.00 0.00 C ATOM 1118 O SER A 68 -36.161 26.206 -22.001 1.00 0.00 O ATOM 1119 CB SER A 68 -35.800 27.111 -18.899 1.00 0.00 C ATOM 1120 OG SER A 68 -34.958 28.206 -18.576 1.00 0.00 O ATOM 0 H SER A 68 -33.463 26.577 -18.608 1.00 0.00 H new ATOM 0 HA SER A 68 -35.545 25.161 -19.793 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.718 27.475 -19.359 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.087 26.585 -17.988 1.00 0.00 H new ATOM 0 HG SER A 68 -35.496 29.022 -18.502 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.323 27.477 -21.716 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.332 28.058 -23.058 1.00 0.00 C ATOM 1128 C TYR A 69 -34.190 26.988 -24.138 1.00 0.00 C ATOM 1129 O TYR A 69 -34.329 27.267 -25.326 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.177 29.048 -23.171 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.467 30.259 -24.031 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.091 31.379 -23.494 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.108 30.290 -25.373 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.339 32.496 -24.267 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.359 31.402 -26.154 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.975 32.502 -25.595 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.208 33.621 -26.358 1.00 0.00 O ATOM 0 H TYR A 69 -33.541 27.787 -21.140 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.288 28.559 -23.210 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.906 29.386 -22.171 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.309 28.529 -23.578 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.387 31.376 -22.455 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.625 29.430 -25.813 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.817 33.361 -23.832 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.075 31.410 -27.196 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.892 33.465 -27.273 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.882 25.770 -23.726 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.694 24.683 -24.675 1.00 0.00 C ATOM 1149 C CYS A 70 -34.292 23.371 -24.167 1.00 0.00 C ATOM 1150 O CYS A 70 -34.228 22.352 -24.848 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.207 24.494 -24.958 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.243 23.979 -23.505 1.00 0.00 S ATOM 0 H CYS A 70 -33.757 25.509 -22.748 1.00 0.00 H new ATOM 0 HA CYS A 70 -34.216 24.953 -25.593 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -32.088 23.748 -25.744 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.798 25.429 -25.341 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.917 24.237 -22.424 1.00 0.00 H new ATOM 1157 N SER A 71 -34.866 23.385 -22.972 1.00 0.00 N ATOM 1158 CA SER A 71 -35.397 22.163 -22.394 1.00 0.00 C ATOM 1159 C SER A 71 -36.919 22.143 -22.444 1.00 0.00 C ATOM 1160 O SER A 71 -37.596 22.869 -21.710 1.00 0.00 O ATOM 1161 CB SER A 71 -34.896 21.985 -20.958 1.00 0.00 C ATOM 1162 OG SER A 71 -35.128 23.146 -20.184 1.00 0.00 O ATOM 0 H SER A 71 -34.974 24.217 -22.392 1.00 0.00 H new ATOM 0 HA SER A 71 -35.036 21.325 -22.991 1.00 0.00 H new ATOM 0 HB2 SER A 71 -35.398 21.133 -20.499 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.830 21.759 -20.968 1.00 0.00 H new ATOM 0 HG SER A 71 -36.070 23.178 -19.917 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.447 21.316 -23.331 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.879 21.120 -23.442 1.00 0.00 C ATOM 1170 C GLU A 72 -39.313 20.052 -22.465 1.00 0.00 C ATOM 1171 O GLU A 72 -39.695 18.937 -22.823 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.275 20.776 -24.880 1.00 0.00 C ATOM 1173 CG GLU A 72 -38.452 19.654 -25.493 1.00 0.00 C ATOM 1174 CD GLU A 72 -38.710 19.492 -26.974 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -39.740 18.893 -27.342 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -37.889 19.979 -27.779 1.00 0.00 O ATOM 0 H GLU A 72 -36.897 20.765 -23.990 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.394 22.047 -23.190 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.328 20.494 -24.899 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.173 21.668 -25.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -37.393 19.854 -25.331 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -38.681 18.719 -24.983 1.00 0.00 H new ATOM 1183 N ASP A 73 -39.198 20.424 -21.217 1.00 0.00 N ATOM 1184 CA ASP A 73 -39.544 19.574 -20.101 1.00 0.00 C ATOM 1185 C ASP A 73 -39.914 20.455 -18.924 1.00 0.00 C ATOM 1186 O ASP A 73 -39.521 21.623 -18.873 1.00 0.00 O ATOM 1187 CB ASP A 73 -38.362 18.667 -19.738 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.710 17.630 -18.688 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.586 17.929 -17.483 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -39.109 16.511 -19.065 1.00 0.00 O ATOM 0 H ASP A 73 -38.855 21.344 -20.939 1.00 0.00 H new ATOM 0 HA ASP A 73 -40.388 18.937 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -38.010 18.161 -20.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -37.538 19.281 -19.375 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.684 19.907 -18.005 1.00 0.00 N ATOM 1196 CA GLU A 74 -41.144 20.648 -16.834 1.00 0.00 C ATOM 1197 C GLU A 74 -39.974 21.071 -15.940 1.00 0.00 C ATOM 1198 O GLU A 74 -40.104 21.996 -15.134 1.00 0.00 O ATOM 1199 CB GLU A 74 -42.144 19.806 -16.037 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.882 20.593 -14.961 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.809 19.732 -14.132 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -44.980 19.545 -14.531 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.380 19.247 -13.066 1.00 0.00 O ATOM 0 H GLU A 74 -41.010 18.941 -18.043 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.638 21.554 -17.184 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -42.872 19.375 -16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.616 18.975 -15.570 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.155 21.071 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -43.458 21.389 -15.432 1.00 0.00 H new ATOM 1210 N ASN A 75 -38.838 20.396 -16.084 1.00 0.00 N ATOM 1211 CA ASN A 75 -37.634 20.743 -15.336 1.00 0.00 C ATOM 1212 C ASN A 75 -37.055 22.070 -15.809 1.00 0.00 C ATOM 1213 O ASN A 75 -36.128 22.119 -16.618 1.00 0.00 O ATOM 1214 CB ASN A 75 -36.574 19.640 -15.431 1.00 0.00 C ATOM 1215 CG ASN A 75 -36.724 18.592 -14.344 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -37.825 18.331 -13.860 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -35.616 17.979 -13.954 1.00 0.00 N ATOM 0 H ASN A 75 -38.726 19.602 -16.715 1.00 0.00 H new ATOM 0 HA ASN A 75 -37.925 20.845 -14.291 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -36.642 19.159 -16.407 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -35.582 20.087 -15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -35.658 17.263 -13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -34.722 18.223 -14.379 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.649 23.139 -15.315 1.00 0.00 N ATOM 1225 CA CYS A 76 -37.195 24.493 -15.590 1.00 0.00 C ATOM 1226 C CYS A 76 -36.550 25.069 -14.330 1.00 0.00 C ATOM 1227 O CYS A 76 -36.447 26.284 -14.156 1.00 0.00 O ATOM 1228 CB CYS A 76 -38.391 25.349 -16.035 1.00 0.00 C ATOM 1229 SG CYS A 76 -37.980 27.052 -16.487 1.00 0.00 S ATOM 0 H CYS A 76 -38.467 23.094 -14.707 1.00 0.00 H new ATOM 0 HA CYS A 76 -36.456 24.490 -16.391 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -38.867 24.867 -16.888 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -39.125 25.369 -15.229 1.00 0.00 H new ATOM 0 HG CYS A 76 -37.113 27.528 -15.643 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.086 24.174 -13.464 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.552 24.547 -12.154 1.00 0.00 C ATOM 1237 C ASN A 77 -34.086 24.974 -12.234 1.00 0.00 C ATOM 1238 O ASN A 77 -33.349 24.887 -11.251 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.705 23.376 -11.178 1.00 0.00 C ATOM 1240 CG ASN A 77 -35.002 22.119 -11.656 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -35.572 21.320 -12.397 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.763 21.931 -11.232 1.00 0.00 N ATOM 0 H ASN A 77 -36.068 23.171 -13.648 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.123 25.403 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -35.305 23.664 -10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.764 23.163 -11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -33.246 21.100 -11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -33.324 22.617 -10.618 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.674 25.438 -13.402 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.335 25.985 -13.578 1.00 0.00 C ATOM 1251 C ASN A 78 -32.293 27.417 -13.063 1.00 0.00 C ATOM 1252 O ASN A 78 -33.238 28.182 -13.258 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.906 25.930 -15.053 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.900 26.604 -15.984 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -33.859 25.981 -16.431 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -32.666 27.867 -16.310 1.00 0.00 N ATOM 0 H ASN A 78 -34.247 25.448 -14.245 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.634 25.379 -13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -30.933 26.409 -15.161 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.784 24.889 -15.352 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -33.293 28.353 -16.952 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -31.859 28.354 -15.919 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.206 27.770 -12.385 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.073 29.096 -11.787 1.00 0.00 C ATOM 1265 C LEU A 79 -30.915 30.151 -12.880 1.00 0.00 C ATOM 1266 O LEU A 79 -31.776 31.014 -13.057 1.00 0.00 O ATOM 1267 CB LEU A 79 -29.872 29.122 -10.827 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.946 30.143 -9.678 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.796 29.924 -8.706 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.926 31.575 -10.198 1.00 0.00 C ATOM 0 H LEU A 79 -30.404 27.158 -12.235 1.00 0.00 H new ATOM 0 HA LEU A 79 -31.974 29.323 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -29.756 28.128 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.972 29.324 -11.408 1.00 0.00 H new ATOM 0 HG LEU A 79 -30.892 29.990 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -28.859 30.652 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -28.856 28.917 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -27.848 30.045 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.980 32.268 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -29.004 31.748 -10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -30.780 31.735 -10.856 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.813 30.078 -13.613 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.575 30.999 -14.711 1.00 0.00 C ATOM 1284 C LEU A 80 -30.238 30.481 -15.975 1.00 0.00 C ATOM 1285 O LEU A 80 -29.971 29.361 -16.418 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.076 31.211 -14.954 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.325 31.977 -13.859 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.075 31.099 -12.641 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.013 32.524 -14.399 1.00 0.00 C ATOM 0 H LEU A 80 -29.073 29.392 -13.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.009 31.962 -14.441 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.605 30.236 -15.077 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.952 31.746 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.951 32.812 -13.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.541 31.672 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.028 30.760 -12.235 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.477 30.235 -12.932 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.492 33.065 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.390 31.699 -14.746 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.215 33.200 -15.230 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.120 31.282 -16.540 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.799 30.905 -17.765 1.00 0.00 C ATOM 1303 C GLU A 81 -31.068 31.477 -18.967 1.00 0.00 C ATOM 1304 O GLU A 81 -30.586 32.608 -18.938 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.250 31.381 -17.747 1.00 0.00 C ATOM 1306 CG GLU A 81 -33.988 31.111 -19.046 1.00 0.00 C ATOM 1307 CD GLU A 81 -35.445 31.490 -18.975 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -35.758 32.687 -19.134 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.283 30.587 -18.772 1.00 0.00 O ATOM 0 H GLU A 81 -31.383 32.196 -16.172 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.798 29.818 -17.839 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.776 30.888 -16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.271 32.451 -17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.511 31.667 -19.853 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.903 30.053 -19.294 1.00 0.00 H new ATOM 1316 N GLY A 82 -30.974 30.678 -20.018 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.273 31.106 -21.205 1.00 0.00 C ATOM 1318 C GLY A 82 -28.807 30.753 -21.146 1.00 0.00 C ATOM 1319 O GLY A 82 -28.094 30.893 -22.131 1.00 0.00 O ATOM 0 H GLY A 82 -31.372 29.740 -20.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.724 30.641 -22.082 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.383 32.184 -21.324 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.367 30.271 -19.994 1.00 0.00 N ATOM 1324 CA TYR A 83 -26.975 29.892 -19.801 1.00 0.00 C ATOM 1325 C TYR A 83 -26.868 28.424 -19.408 1.00 0.00 C ATOM 1326 O TYR A 83 -27.865 27.802 -19.041 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.327 30.755 -18.714 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.300 32.233 -19.022 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -25.376 32.759 -19.914 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -27.195 33.103 -18.417 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -25.344 34.110 -20.193 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -27.169 34.455 -18.690 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.244 34.951 -19.579 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.213 36.298 -19.852 1.00 0.00 O ATOM 0 H TYR A 83 -28.957 30.132 -19.174 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.452 30.050 -20.744 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -26.864 30.601 -17.778 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.305 30.411 -18.556 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -24.670 32.100 -20.398 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -27.924 32.716 -17.721 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -24.618 34.505 -20.888 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -27.871 35.120 -18.209 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.914 36.752 -19.339 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.662 27.876 -19.520 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.365 26.519 -19.055 1.00 0.00 C ATOM 1346 C HIS A 84 -24.144 26.538 -18.159 1.00 0.00 C ATOM 1347 O HIS A 84 -23.220 27.327 -18.379 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.086 25.556 -20.213 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.280 25.175 -21.021 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.398 23.978 -21.694 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.382 25.887 -21.330 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.538 24.014 -22.392 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.163 25.160 -22.200 1.00 0.00 N ATOM 0 H HIS A 84 -24.863 28.356 -19.934 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.246 26.171 -18.515 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.349 26.012 -20.875 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.635 24.649 -19.810 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.735 23.204 -21.665 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.615 26.872 -20.954 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.897 23.216 -23.025 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.126 25.681 -17.139 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.967 25.521 -16.271 1.00 0.00 C ATOM 1363 C PRO A 85 -21.758 24.981 -17.032 1.00 0.00 C ATOM 1364 O PRO A 85 -21.873 24.059 -17.840 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.423 24.509 -15.216 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.906 24.447 -15.324 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.244 24.812 -16.742 1.00 0.00 C ATOM 0 HA PRO A 85 -22.650 26.473 -15.845 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.977 23.531 -15.395 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.117 24.821 -14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -25.272 23.449 -15.082 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.376 25.137 -14.623 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.315 23.930 -17.379 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.200 25.331 -16.808 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.611 25.579 -16.775 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.348 25.134 -17.346 1.00 0.00 C ATOM 1377 C LYS A 86 -18.293 25.093 -16.253 1.00 0.00 C ATOM 1378 O LYS A 86 -18.326 25.896 -15.327 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.899 26.074 -18.474 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.977 27.542 -18.092 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.351 28.457 -19.131 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.841 28.311 -19.175 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.203 29.452 -19.879 1.00 0.00 N ATOM 0 H LYS A 86 -20.525 26.390 -16.163 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.481 24.138 -17.767 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.874 25.832 -18.755 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.520 25.900 -19.353 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.021 27.821 -17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.476 27.690 -17.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.767 28.230 -20.113 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.610 29.492 -18.907 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.451 28.245 -18.159 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.579 27.380 -19.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.194 29.249 -20.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.665 29.594 -20.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.303 30.314 -19.305 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.371 24.160 -16.345 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.335 24.035 -15.337 1.00 0.00 C ATOM 1399 C LEU A 87 -15.155 24.937 -15.664 1.00 0.00 C ATOM 1400 O LEU A 87 -14.722 25.016 -16.813 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.887 22.581 -15.221 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.975 21.610 -14.768 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.441 20.189 -14.735 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.510 22.015 -13.402 1.00 0.00 C ATOM 0 H LEU A 87 -17.315 23.479 -17.102 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.744 24.350 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.508 22.254 -16.189 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.056 22.527 -14.518 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.795 21.649 -15.485 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.230 19.511 -14.410 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.105 19.903 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.604 20.131 -14.040 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.285 21.314 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.698 22.003 -12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.931 23.019 -13.459 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.655 25.634 -14.654 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.491 26.496 -14.814 1.00 0.00 C ATOM 1418 C VAL A 88 -12.509 26.279 -13.672 1.00 0.00 C ATOM 1419 O VAL A 88 -12.917 26.107 -12.524 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.869 28.000 -14.871 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.587 28.324 -16.171 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.725 28.391 -13.669 1.00 0.00 C ATOM 0 H VAL A 88 -15.039 25.620 -13.709 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.033 26.225 -15.765 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.949 28.583 -14.835 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.843 29.383 -16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.936 28.092 -17.014 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.498 27.729 -16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.977 29.450 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.640 27.799 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -14.169 28.204 -12.750 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.222 26.265 -13.983 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.204 26.201 -12.949 1.00 0.00 C ATOM 1434 C VAL A 89 -10.041 27.584 -12.326 1.00 0.00 C ATOM 1435 O VAL A 89 -9.786 28.570 -13.021 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.850 25.675 -13.494 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.363 26.509 -14.674 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.804 25.644 -12.391 1.00 0.00 C ATOM 0 H VAL A 89 -10.861 26.297 -14.936 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.528 25.491 -12.188 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.008 24.657 -13.850 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.412 26.113 -15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.098 26.467 -15.477 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.230 27.544 -14.358 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.862 25.272 -12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.659 26.651 -11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.140 24.987 -11.589 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.232 27.663 -11.024 1.00 0.00 N ATOM 1449 CA ASN A 90 -10.283 28.945 -10.346 1.00 0.00 C ATOM 1450 C ASN A 90 -9.244 29.017 -9.242 1.00 0.00 C ATOM 1451 O ASN A 90 -9.482 28.558 -8.125 1.00 0.00 O ATOM 1452 CB ASN A 90 -11.675 29.164 -9.758 1.00 0.00 C ATOM 1453 CG ASN A 90 -12.078 30.623 -9.758 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.787 31.359 -8.815 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.755 31.046 -10.816 1.00 0.00 N ATOM 0 H ASN A 90 -10.355 26.855 -10.414 1.00 0.00 H new ATOM 0 HA ASN A 90 -10.066 29.727 -11.074 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.403 28.589 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.699 28.783 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.058 32.018 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.973 30.399 -11.574 1.00 0.00 H new ATOM 1462 N GLY A 91 -8.093 29.588 -9.565 1.00 0.00 N ATOM 1463 CA GLY A 91 -7.027 29.708 -8.592 1.00 0.00 C ATOM 1464 C GLY A 91 -6.538 28.360 -8.099 1.00 0.00 C ATOM 1465 O GLY A 91 -5.861 27.632 -8.823 1.00 0.00 O ATOM 0 H GLY A 91 -7.878 29.971 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.194 30.253 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.378 30.296 -7.744 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.890 28.031 -6.864 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.468 26.784 -6.247 1.00 0.00 C ATOM 1471 C ARG A 92 -7.655 25.848 -6.041 1.00 0.00 C ATOM 1472 O ARG A 92 -7.606 24.928 -5.215 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.753 27.047 -4.920 1.00 0.00 C ATOM 1474 CG ARG A 92 -4.330 27.558 -5.091 1.00 0.00 C ATOM 1475 CD ARG A 92 -4.296 28.961 -5.677 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.948 29.375 -6.063 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.184 30.198 -5.351 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -2.609 30.671 -4.185 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.994 30.549 -5.817 1.00 0.00 N ATOM 0 H ARG A 92 -7.472 28.617 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.765 26.297 -6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.326 27.775 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.733 26.126 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.825 27.556 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.777 26.880 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.949 29.003 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.694 29.666 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.569 29.008 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.527 30.403 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.017 31.302 -3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.671 30.188 -6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.401 31.180 -5.278 1.00 0.00 H new ATOM 1493 N SER A 93 -8.729 26.100 -6.777 1.00 0.00 N ATOM 1494 CA SER A 93 -9.901 25.243 -6.740 1.00 0.00 C ATOM 1495 C SER A 93 -10.537 25.191 -8.125 1.00 0.00 C ATOM 1496 O SER A 93 -10.047 25.820 -9.061 1.00 0.00 O ATOM 1497 CB SER A 93 -10.903 25.768 -5.705 1.00 0.00 C ATOM 1498 OG SER A 93 -11.945 24.834 -5.465 1.00 0.00 O ATOM 0 H SER A 93 -8.810 26.896 -7.409 1.00 0.00 H new ATOM 0 HA SER A 93 -9.605 24.235 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.383 25.982 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.330 26.708 -6.055 1.00 0.00 H new ATOM 0 HG SER A 93 -12.565 25.199 -4.800 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.603 24.426 -8.258 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.358 24.386 -9.493 1.00 0.00 C ATOM 1506 C ILE A 94 -13.764 24.913 -9.234 1.00 0.00 C ATOM 1507 O ILE A 94 -14.376 24.599 -8.212 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.410 22.956 -10.076 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.987 22.448 -10.325 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.217 22.928 -11.366 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.902 20.966 -10.624 1.00 0.00 C ATOM 0 H ILE A 94 -11.966 23.821 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.861 25.016 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.902 22.302 -9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.556 23.001 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.376 22.666 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.240 21.911 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.235 23.263 -11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.755 23.589 -12.099 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.861 20.687 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.301 20.401 -9.781 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.483 20.741 -11.518 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.260 25.730 -10.147 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.522 26.410 -9.949 1.00 0.00 C ATOM 1525 C ASP A 95 -16.423 26.241 -11.154 1.00 0.00 C ATOM 1526 O ASP A 95 -16.035 25.645 -12.163 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.300 27.898 -9.667 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.449 28.227 -8.198 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -16.563 28.045 -7.663 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -14.464 28.662 -7.567 1.00 0.00 O ATOM 0 H ASP A 95 -13.804 25.937 -11.035 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.009 25.959 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.304 28.186 -10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.013 28.486 -10.244 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.624 26.778 -11.041 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.619 26.643 -12.079 1.00 0.00 C ATOM 1537 C ILE A 96 -19.014 27.999 -12.627 1.00 0.00 C ATOM 1538 O ILE A 96 -19.438 28.894 -11.893 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.861 25.903 -11.550 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.445 24.534 -11.009 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.905 25.760 -12.650 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.492 23.877 -10.144 1.00 0.00 C ATOM 0 H ILE A 96 -17.932 27.316 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.182 26.057 -12.888 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.308 26.480 -10.741 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.215 23.877 -11.848 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.528 24.646 -10.431 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.776 25.235 -12.259 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.204 26.749 -12.999 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.483 25.194 -13.481 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.124 22.911 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.705 24.513 -9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.404 23.732 -10.723 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.836 28.132 -13.923 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.177 29.332 -14.647 1.00 0.00 C ATOM 1556 C GLU A 97 -20.419 29.051 -15.489 1.00 0.00 C ATOM 1557 O GLU A 97 -20.972 27.954 -15.429 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.001 29.716 -15.541 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.870 31.199 -15.808 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.627 31.526 -16.611 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -16.614 31.265 -17.835 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -15.648 32.025 -16.018 1.00 0.00 O ATOM 0 H GLU A 97 -18.444 27.396 -14.511 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.385 30.155 -13.963 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.080 29.361 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.101 29.196 -16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.751 31.549 -16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.841 31.736 -14.860 1.00 0.00 H new ATOM 1569 N TYR A 98 -20.844 30.021 -16.276 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.002 29.851 -17.139 1.00 0.00 C ATOM 1571 C TYR A 98 -21.736 30.450 -18.514 1.00 0.00 C ATOM 1572 O TYR A 98 -21.196 31.549 -18.621 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.231 30.506 -16.509 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.050 29.577 -15.632 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.634 29.239 -14.347 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.247 29.040 -16.093 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.387 28.393 -13.552 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.006 28.199 -15.302 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.571 27.880 -14.034 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.326 27.043 -13.244 1.00 0.00 O ATOM 0 H TYR A 98 -20.404 30.939 -16.337 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.192 28.784 -17.256 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -22.908 31.360 -15.913 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -23.869 30.894 -17.303 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -22.709 29.644 -13.965 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.590 29.285 -17.088 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.048 28.136 -12.559 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.935 27.794 -15.675 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.131 26.770 -13.732 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.093 29.715 -19.559 1.00 0.00 N ATOM 1591 CA TYR A 99 -21.958 30.214 -20.922 1.00 0.00 C ATOM 1592 C TYR A 99 -23.323 30.307 -21.585 1.00 0.00 C ATOM 1593 O TYR A 99 -24.281 29.675 -21.140 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.020 29.330 -21.752 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.465 27.887 -21.899 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.306 27.495 -22.935 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -21.024 26.919 -21.013 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.693 26.175 -23.079 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.408 25.599 -21.144 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.241 25.231 -22.180 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.612 23.908 -22.324 1.00 0.00 O ATOM 0 H TYR A 99 -22.478 28.773 -19.490 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.518 31.210 -20.873 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.918 29.766 -22.746 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.031 29.345 -21.294 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.663 28.233 -23.638 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.367 27.202 -20.204 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.345 25.885 -23.890 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -21.058 24.859 -20.439 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.207 23.375 -21.609 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.405 31.092 -22.647 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.671 31.338 -23.317 1.00 0.00 C ATOM 1613 C GLU A 100 -25.134 30.112 -24.099 1.00 0.00 C ATOM 1614 O GLU A 100 -24.392 29.563 -24.912 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.549 32.538 -24.252 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.096 33.804 -23.549 1.00 0.00 C ATOM 1617 CD GLU A 100 -24.068 35.000 -24.471 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -23.118 35.116 -25.273 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -24.995 35.835 -24.396 1.00 0.00 O ATOM 0 H GLU A 100 -22.607 31.571 -23.064 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.417 31.553 -22.552 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -23.842 32.300 -25.047 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.513 32.720 -24.726 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -24.764 34.010 -22.713 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -23.101 33.648 -23.132 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.361 29.683 -23.817 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.006 28.592 -24.549 1.00 0.00 C ATOM 1628 C CYS A 101 -26.932 28.840 -26.055 1.00 0.00 C ATOM 1629 O CYS A 101 -27.398 29.872 -26.538 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.476 28.486 -24.114 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.412 27.091 -24.827 1.00 0.00 S ATOM 0 H CYS A 101 -26.938 30.080 -23.075 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.487 27.660 -24.324 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.510 28.405 -23.028 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.983 29.414 -24.380 1.00 0.00 H new ATOM 0 HG CYS A 101 -29.245 26.034 -24.089 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.349 27.894 -26.810 1.00 0.00 N ATOM 1637 CA PRO A 102 -26.232 27.987 -28.276 1.00 0.00 C ATOM 1638 C PRO A 102 -27.582 28.157 -28.978 1.00 0.00 C ATOM 1639 O PRO A 102 -27.646 28.595 -30.123 1.00 0.00 O ATOM 1640 CB PRO A 102 -25.586 26.656 -28.683 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.660 25.775 -27.480 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.701 26.683 -26.289 1.00 0.00 C ATOM 0 HA PRO A 102 -25.654 28.864 -28.566 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -26.112 26.209 -29.526 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -24.552 26.804 -28.995 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.547 25.143 -27.516 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.797 25.111 -27.432 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.268 26.244 -25.468 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.701 26.893 -25.909 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.657 27.819 -28.275 1.00 0.00 N ATOM 1651 CA VAL A 103 -30.006 27.924 -28.820 1.00 0.00 C ATOM 1652 C VAL A 103 -30.461 29.386 -28.866 1.00 0.00 C ATOM 1653 O VAL A 103 -31.460 29.722 -29.501 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.997 27.077 -27.988 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -32.400 27.113 -28.573 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.499 25.645 -27.892 1.00 0.00 C ATOM 0 H VAL A 103 -28.620 27.467 -27.318 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.991 27.537 -29.839 1.00 0.00 H new ATOM 0 HB VAL A 103 -31.050 27.509 -26.989 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -33.066 26.506 -27.960 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.760 28.142 -28.591 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -32.381 26.718 -29.589 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -31.202 25.054 -27.305 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -30.416 25.221 -28.893 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -29.522 25.631 -27.410 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.715 30.252 -28.183 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.960 31.689 -28.248 1.00 0.00 C ATOM 1668 C LYS A 104 -29.890 32.159 -29.692 1.00 0.00 C ATOM 1669 O LYS A 104 -30.813 32.814 -30.179 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.940 32.454 -27.399 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.279 32.511 -25.918 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.398 33.503 -25.648 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.678 33.644 -24.161 1.00 0.00 C ATOM 1674 NZ LYS A 104 -31.599 34.775 -23.876 1.00 0.00 N ATOM 0 H LYS A 104 -28.938 29.983 -27.580 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.955 31.888 -27.851 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.962 31.988 -27.519 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.857 33.472 -27.781 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.576 31.521 -25.572 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -28.393 32.795 -25.350 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.130 34.475 -26.062 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -31.304 33.178 -26.160 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -31.112 32.718 -23.784 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.740 33.796 -23.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -31.399 35.156 -22.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -31.461 35.522 -24.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -32.583 34.440 -23.913 1.00 0.00 H new