USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 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 66 ASN : amide:sc= 0.5 K(o=2.2,f=-11!) USER MOD Set 1.2: A 71 SER OG : rot -173:sc= 1.23 USER MOD Set 1.3: A 77 ASN : amide:sc= 2.18 K(o=2.2,f=-6.3!) USER MOD Set 1.4: A 78 ASN : amide:sc= -1.72! C(o=2.2!,f=-6.7!) USER MOD Set 2.1: A 67 CYS SG : rot -98:sc= 0.6 USER MOD Set 2.2: A 70 CYS SG : rot -73:sc= -0.62! USER MOD Set 2.3: A 84 HIS : no HE2:sc= -2.77! K(o=-2.8!,f=-1.7) USER MOD Set 2.4: A 101 CYS SG : rot 92:sc= -0.0429 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -177:sc= 1.33 (180deg=0.0292) USER MOD Set 3.2: A 58 TYR OH : rot 180:sc= 0.985 USER MOD Single : A 18 GLN : amide:sc= -2.35! X(o=-2.4!,f=-2.3) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.0219 (180deg=-0.259) USER MOD Single : A 23 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.0025) USER MOD Single : A 24 MET CE :methyl -150:sc= -0.0897 (180deg=-0.547) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.287 (180deg=-0.389) USER MOD Single : A 29 MET CE :methyl -124:sc= 0 (180deg=-2.36!) USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= -0.386 (180deg=-3.15!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 35 GLN : amide:sc= 0.687 K(o=0.69,f=-0.49) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -0.0509 (180deg=-1.22) USER MOD Single : A 41 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -152:sc= -2.52! (180deg=-2.54!) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.000403 (180deg=-0.0705) USER MOD Single : A 53 SER OG : rot 140:sc= 0.00592 USER MOD Single : A 55 ASN : amide:sc= -0.528 K(o=-0.53,f=-7.1!) USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.997) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.56! C(o=-2.6!,f=-1.5!) USER MOD Single : A 64 SER OG : rot 14:sc= -0.534! USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.0996 (180deg=-0.607) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00914 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -110:sc= 0.962 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-1.2) USER MOD Single : A 93 SER OG : rot 10:sc= 0.421 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.685 3.784 5.291 1.00 0.00 N ATOM 226 CA ASP A 16 -20.464 4.661 4.420 1.00 0.00 C ATOM 227 C ASP A 16 -19.565 5.629 3.665 1.00 0.00 C ATOM 228 O ASP A 16 -19.887 6.040 2.550 1.00 0.00 O ATOM 229 CB ASP A 16 -21.505 5.453 5.220 1.00 0.00 C ATOM 230 CG ASP A 16 -22.563 4.572 5.854 1.00 0.00 C ATOM 231 OD1 ASP A 16 -23.590 4.289 5.196 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.375 4.160 7.017 1.00 0.00 O ATOM 0 HA ASP A 16 -20.978 4.023 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.999 6.022 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.988 6.175 4.562 1.00 0.00 H new ATOM 237 N PHE A 17 -18.436 5.984 4.272 1.00 0.00 N ATOM 238 CA PHE A 17 -17.493 6.917 3.664 1.00 0.00 C ATOM 239 C PHE A 17 -17.038 6.425 2.296 1.00 0.00 C ATOM 240 O PHE A 17 -17.121 7.154 1.311 1.00 0.00 O ATOM 241 CB PHE A 17 -16.283 7.131 4.576 1.00 0.00 C ATOM 242 CG PHE A 17 -15.268 8.098 4.026 1.00 0.00 C ATOM 243 CD1 PHE A 17 -15.442 9.463 4.177 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.143 7.638 3.358 1.00 0.00 C ATOM 245 CE1 PHE A 17 -14.513 10.354 3.672 1.00 0.00 C ATOM 246 CE2 PHE A 17 -13.212 8.522 2.851 1.00 0.00 C ATOM 247 CZ PHE A 17 -13.396 9.882 3.009 1.00 0.00 C ATOM 0 H PHE A 17 -18.151 5.638 5.188 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.006 7.869 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.629 7.494 5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.798 6.171 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.313 9.836 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.994 6.576 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.660 11.417 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.341 8.151 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.668 10.576 2.615 1.00 0.00 H new ATOM 257 N GLN A 18 -16.576 5.183 2.226 1.00 0.00 N ATOM 258 CA GLN A 18 -16.074 4.643 0.969 1.00 0.00 C ATOM 259 C GLN A 18 -17.224 4.415 -0.006 1.00 0.00 C ATOM 260 O GLN A 18 -17.056 4.549 -1.216 1.00 0.00 O ATOM 261 CB GLN A 18 -15.263 3.351 1.200 1.00 0.00 C ATOM 262 CG GLN A 18 -16.088 2.110 1.547 1.00 0.00 C ATOM 263 CD GLN A 18 -16.635 1.357 0.336 1.00 0.00 C ATOM 264 OE1 GLN A 18 -17.703 0.755 0.408 1.00 0.00 O ATOM 265 NE2 GLN A 18 -15.911 1.365 -0.778 1.00 0.00 N ATOM 0 H GLN A 18 -16.538 4.537 3.015 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.395 5.373 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.683 3.141 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.550 3.529 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.470 1.430 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.923 2.409 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.028 1.874 -0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.239 0.862 -1.603 1.00 0.00 H new ATOM 274 N LYS A 19 -18.400 4.100 0.531 1.00 0.00 N ATOM 275 CA LYS A 19 -19.574 3.865 -0.298 1.00 0.00 C ATOM 276 C LYS A 19 -20.012 5.145 -0.998 1.00 0.00 C ATOM 277 O LYS A 19 -20.243 5.151 -2.212 1.00 0.00 O ATOM 278 CB LYS A 19 -20.728 3.299 0.529 1.00 0.00 C ATOM 279 CG LYS A 19 -20.515 1.859 0.957 1.00 0.00 C ATOM 280 CD LYS A 19 -21.832 1.163 1.257 1.00 0.00 C ATOM 281 CE LYS A 19 -22.705 1.070 0.012 1.00 0.00 C ATOM 282 NZ LYS A 19 -22.054 0.290 -1.078 1.00 0.00 N ATOM 0 H LYS A 19 -18.563 4.002 1.533 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.299 3.131 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.866 3.917 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.648 3.365 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.989 1.319 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.879 1.832 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.637 0.162 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.364 1.707 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.656 0.604 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.930 2.074 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.760 0.051 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.296 0.859 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.651 -0.585 -0.686 1.00 0.00 H new ATOM 296 N ARG A 20 -20.122 6.230 -0.239 1.00 0.00 N ATOM 297 CA ARG A 20 -20.489 7.514 -0.817 1.00 0.00 C ATOM 298 C ARG A 20 -19.366 8.030 -1.706 1.00 0.00 C ATOM 299 O ARG A 20 -19.621 8.697 -2.704 1.00 0.00 O ATOM 300 CB ARG A 20 -20.830 8.548 0.263 1.00 0.00 C ATOM 301 CG ARG A 20 -19.687 8.866 1.209 1.00 0.00 C ATOM 302 CD ARG A 20 -20.042 10.012 2.134 1.00 0.00 C ATOM 303 NE ARG A 20 -20.228 11.265 1.400 1.00 0.00 N ATOM 304 CZ ARG A 20 -19.860 12.463 1.855 1.00 0.00 C ATOM 305 NH1 ARG A 20 -19.294 12.589 3.051 1.00 0.00 N ATOM 306 NH2 ARG A 20 -20.066 13.541 1.108 1.00 0.00 N ATOM 0 H ARG A 20 -19.964 6.245 0.769 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.384 7.362 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.151 9.470 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.676 8.182 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.443 7.982 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.797 9.122 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.955 9.770 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.253 10.139 2.875 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.668 11.218 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.137 11.764 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.016 13.510 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.504 13.450 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.787 14.460 1.451 1.00 0.00 H new ATOM 320 N LEU A 21 -18.128 7.694 -1.344 1.00 0.00 N ATOM 321 CA LEU A 21 -16.960 8.121 -2.102 1.00 0.00 C ATOM 322 C LEU A 21 -16.985 7.546 -3.513 1.00 0.00 C ATOM 323 O LEU A 21 -16.843 8.283 -4.484 1.00 0.00 O ATOM 324 CB LEU A 21 -15.680 7.685 -1.385 1.00 0.00 C ATOM 325 CG LEU A 21 -14.396 7.837 -2.196 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.120 9.301 -2.504 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.224 7.211 -1.457 1.00 0.00 C ATOM 0 H LEU A 21 -17.911 7.125 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.980 9.208 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.582 8.265 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.784 6.640 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.525 7.313 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.200 9.384 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.949 9.714 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.013 9.855 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.316 7.328 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.095 7.705 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.419 6.150 -1.298 1.00 0.00 H new ATOM 339 N GLU A 22 -17.194 6.235 -3.623 1.00 0.00 N ATOM 340 CA GLU A 22 -17.309 5.592 -4.931 1.00 0.00 C ATOM 341 C GLU A 22 -18.467 6.189 -5.712 1.00 0.00 C ATOM 342 O GLU A 22 -18.338 6.502 -6.892 1.00 0.00 O ATOM 343 CB GLU A 22 -17.533 4.082 -4.799 1.00 0.00 C ATOM 344 CG GLU A 22 -16.389 3.317 -4.154 1.00 0.00 C ATOM 345 CD GLU A 22 -16.609 1.815 -4.207 1.00 0.00 C ATOM 346 OE1 GLU A 22 -17.578 1.328 -3.583 1.00 0.00 O ATOM 347 OE2 GLU A 22 -15.832 1.116 -4.892 1.00 0.00 O ATOM 0 H GLU A 22 -17.287 5.601 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.371 5.765 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.438 3.914 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.713 3.668 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.456 3.565 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.282 3.632 -3.116 1.00 0.00 H new ATOM 354 N GLN A 23 -19.591 6.351 -5.028 1.00 0.00 N ATOM 355 CA GLN A 23 -20.817 6.829 -5.649 1.00 0.00 C ATOM 356 C GLN A 23 -20.623 8.206 -6.275 1.00 0.00 C ATOM 357 O GLN A 23 -20.833 8.391 -7.475 1.00 0.00 O ATOM 358 CB GLN A 23 -21.931 6.886 -4.606 1.00 0.00 C ATOM 359 CG GLN A 23 -23.308 7.159 -5.190 1.00 0.00 C ATOM 360 CD GLN A 23 -24.408 7.108 -4.147 1.00 0.00 C ATOM 361 OE1 GLN A 23 -25.412 7.811 -4.259 1.00 0.00 O ATOM 362 NE2 GLN A 23 -24.236 6.266 -3.135 1.00 0.00 N ATOM 0 H GLN A 23 -19.678 6.155 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 23 -21.090 6.134 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.958 5.940 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.695 7.663 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.309 8.140 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.519 6.427 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.388 5.701 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.951 6.184 -2.413 1.00 0.00 H new ATOM 371 N MET A 24 -20.214 9.166 -5.460 1.00 0.00 N ATOM 372 CA MET A 24 -20.042 10.532 -5.934 1.00 0.00 C ATOM 373 C MET A 24 -18.902 10.632 -6.937 1.00 0.00 C ATOM 374 O MET A 24 -19.002 11.362 -7.923 1.00 0.00 O ATOM 375 CB MET A 24 -19.816 11.501 -4.770 1.00 0.00 C ATOM 376 CG MET A 24 -18.566 11.230 -3.949 1.00 0.00 C ATOM 377 SD MET A 24 -18.464 12.276 -2.485 1.00 0.00 S ATOM 378 CE MET A 24 -18.423 13.910 -3.226 1.00 0.00 C ATOM 0 H MET A 24 -19.996 9.027 -4.473 1.00 0.00 H new ATOM 0 HA MET A 24 -20.965 10.816 -6.440 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.761 12.515 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.683 11.463 -4.110 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.554 10.183 -3.646 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.685 11.392 -4.570 1.00 0.00 H new ATOM 0 HE1 MET A 24 -17.854 14.585 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 24 -17.949 13.853 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.440 14.285 -3.336 1.00 0.00 H new ATOM 388 N LYS A 25 -17.829 9.887 -6.694 1.00 0.00 N ATOM 389 CA LYS A 25 -16.674 9.907 -7.582 1.00 0.00 C ATOM 390 C LYS A 25 -17.050 9.354 -8.950 1.00 0.00 C ATOM 391 O LYS A 25 -16.644 9.887 -9.983 1.00 0.00 O ATOM 392 CB LYS A 25 -15.520 9.090 -6.991 1.00 0.00 C ATOM 393 CG LYS A 25 -14.158 9.482 -7.534 1.00 0.00 C ATOM 394 CD LYS A 25 -13.866 10.943 -7.237 1.00 0.00 C ATOM 395 CE LYS A 25 -12.531 11.387 -7.806 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.382 10.717 -7.139 1.00 0.00 N ATOM 0 H LYS A 25 -17.736 9.264 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.348 10.941 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.518 9.210 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.693 8.033 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.388 8.853 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.126 9.310 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.661 11.563 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.870 11.101 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.504 11.172 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.433 12.467 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.542 11.327 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.614 10.543 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.186 9.811 -7.611 1.00 0.00 H new ATOM 410 N GLU A 26 -17.835 8.282 -8.944 1.00 0.00 N ATOM 411 CA GLU A 26 -18.331 7.678 -10.169 1.00 0.00 C ATOM 412 C GLU A 26 -19.202 8.664 -10.937 1.00 0.00 C ATOM 413 O GLU A 26 -18.994 8.893 -12.123 1.00 0.00 O ATOM 414 CB GLU A 26 -19.120 6.408 -9.843 1.00 0.00 C ATOM 415 CG GLU A 26 -19.933 5.876 -11.008 1.00 0.00 C ATOM 416 CD GLU A 26 -20.419 4.466 -10.784 1.00 0.00 C ATOM 417 OE1 GLU A 26 -21.427 4.278 -10.073 1.00 0.00 O ATOM 418 OE2 GLU A 26 -19.794 3.540 -11.333 1.00 0.00 O ATOM 0 H GLU A 26 -18.142 7.811 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.481 7.413 -10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.426 5.635 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.790 6.612 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.790 6.529 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.326 5.907 -11.913 1.00 0.00 H new ATOM 425 N LYS A 27 -20.165 9.256 -10.243 1.00 0.00 N ATOM 426 CA LYS A 27 -21.073 10.221 -10.854 1.00 0.00 C ATOM 427 C LYS A 27 -20.306 11.349 -11.535 1.00 0.00 C ATOM 428 O LYS A 27 -20.645 11.756 -12.646 1.00 0.00 O ATOM 429 CB LYS A 27 -22.035 10.783 -9.806 1.00 0.00 C ATOM 430 CG LYS A 27 -23.148 9.814 -9.439 1.00 0.00 C ATOM 431 CD LYS A 27 -24.047 10.365 -8.345 1.00 0.00 C ATOM 432 CE LYS A 27 -24.709 11.667 -8.764 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.599 12.195 -7.703 1.00 0.00 N ATOM 0 H LYS A 27 -20.339 9.085 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.651 9.702 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.474 11.040 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.475 11.706 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.746 9.597 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.713 8.871 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.813 9.630 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.461 10.529 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.943 12.406 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.285 11.506 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.072 13.056 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.314 11.479 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.036 12.420 -6.858 1.00 0.00 H new ATOM 447 N VAL A 28 -19.264 11.834 -10.879 1.00 0.00 N ATOM 448 CA VAL A 28 -18.445 12.896 -11.439 1.00 0.00 C ATOM 449 C VAL A 28 -17.648 12.394 -12.647 1.00 0.00 C ATOM 450 O VAL A 28 -17.568 13.064 -13.675 1.00 0.00 O ATOM 451 CB VAL A 28 -17.477 13.479 -10.385 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.585 14.539 -11.002 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.247 14.056 -9.205 1.00 0.00 C ATOM 0 H VAL A 28 -18.966 11.509 -9.959 1.00 0.00 H new ATOM 0 HA VAL A 28 -19.122 13.687 -11.763 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.847 12.667 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.912 14.936 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.001 14.098 -11.810 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.200 15.347 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.545 14.461 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.906 14.851 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.842 13.270 -8.739 1.00 0.00 H new ATOM 463 N MET A 29 -17.085 11.196 -12.530 1.00 0.00 N ATOM 464 CA MET A 29 -16.227 10.651 -13.579 1.00 0.00 C ATOM 465 C MET A 29 -17.024 10.086 -14.749 1.00 0.00 C ATOM 466 O MET A 29 -16.442 9.702 -15.757 1.00 0.00 O ATOM 467 CB MET A 29 -15.303 9.562 -13.028 1.00 0.00 C ATOM 468 CG MET A 29 -14.090 10.091 -12.283 1.00 0.00 C ATOM 469 SD MET A 29 -12.939 8.773 -11.837 1.00 0.00 S ATOM 470 CE MET A 29 -11.574 9.719 -11.169 1.00 0.00 C ATOM 0 H MET A 29 -17.206 10.585 -11.723 1.00 0.00 H new ATOM 0 HA MET A 29 -15.630 11.486 -13.945 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.875 8.921 -12.358 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.964 8.937 -13.854 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.576 10.826 -12.903 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.416 10.608 -11.380 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.660 9.467 -11.706 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.780 10.784 -11.281 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.450 9.483 -10.112 1.00 0.00 H new ATOM 480 N LYS A 30 -18.341 10.022 -14.625 1.00 0.00 N ATOM 481 CA LYS A 30 -19.170 9.471 -15.694 1.00 0.00 C ATOM 482 C LYS A 30 -19.874 10.564 -16.493 1.00 0.00 C ATOM 483 O LYS A 30 -20.545 10.274 -17.484 1.00 0.00 O ATOM 484 CB LYS A 30 -20.207 8.488 -15.137 1.00 0.00 C ATOM 485 CG LYS A 30 -19.745 7.033 -15.115 1.00 0.00 C ATOM 486 CD LYS A 30 -18.561 6.819 -14.186 1.00 0.00 C ATOM 487 CE LYS A 30 -18.080 5.378 -14.209 1.00 0.00 C ATOM 488 NZ LYS A 30 -19.146 4.411 -13.829 1.00 0.00 N ATOM 0 H LYS A 30 -18.858 10.340 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.499 8.938 -16.367 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.468 8.789 -14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.116 8.559 -15.735 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.571 6.396 -14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.473 6.725 -16.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.745 7.479 -14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.843 7.092 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.715 5.137 -15.207 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.237 5.270 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.964 4.053 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.070 4.887 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.150 3.617 -14.500 1.00 0.00 H new ATOM 502 N ASP A 31 -19.721 11.814 -16.082 1.00 0.00 N ATOM 503 CA ASP A 31 -20.363 12.914 -16.791 1.00 0.00 C ATOM 504 C ASP A 31 -19.527 13.349 -17.987 1.00 0.00 C ATOM 505 O ASP A 31 -18.315 13.523 -17.881 1.00 0.00 O ATOM 506 CB ASP A 31 -20.601 14.109 -15.875 1.00 0.00 C ATOM 507 CG ASP A 31 -21.299 15.237 -16.609 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.543 15.192 -16.731 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.602 16.150 -17.093 1.00 0.00 O ATOM 0 H ASP A 31 -19.166 12.091 -15.272 1.00 0.00 H new ATOM 0 HA ASP A 31 -21.329 12.549 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -21.204 13.800 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.648 14.463 -15.481 1.00 0.00 H new ATOM 514 N GLN A 32 -20.188 13.531 -19.122 1.00 0.00 N ATOM 515 CA GLN A 32 -19.511 13.858 -20.373 1.00 0.00 C ATOM 516 C GLN A 32 -18.857 15.239 -20.322 1.00 0.00 C ATOM 517 O GLN A 32 -17.729 15.417 -20.788 1.00 0.00 O ATOM 518 CB GLN A 32 -20.506 13.793 -21.537 1.00 0.00 C ATOM 519 CG GLN A 32 -21.683 14.744 -21.375 1.00 0.00 C ATOM 520 CD GLN A 32 -22.694 14.660 -22.502 1.00 0.00 C ATOM 521 OE1 GLN A 32 -22.357 14.345 -23.644 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.943 14.965 -22.188 1.00 0.00 N ATOM 0 H GLN A 32 -21.202 13.457 -19.204 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.720 13.123 -20.524 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.985 14.026 -22.465 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -20.881 12.774 -21.629 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.185 14.529 -20.432 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.307 15.765 -21.311 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -24.180 15.221 -21.229 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.669 14.944 -22.905 1.00 0.00 H new ATOM 531 N ASP A 33 -19.556 16.203 -19.741 1.00 0.00 N ATOM 532 CA ASP A 33 -19.092 17.584 -19.733 1.00 0.00 C ATOM 533 C ASP A 33 -17.947 17.752 -18.749 1.00 0.00 C ATOM 534 O ASP A 33 -17.016 18.524 -18.990 1.00 0.00 O ATOM 535 CB ASP A 33 -20.238 18.538 -19.391 1.00 0.00 C ATOM 536 CG ASP A 33 -21.323 18.534 -20.451 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.186 19.276 -21.450 1.00 0.00 O ATOM 538 OD2 ASP A 33 -22.306 17.780 -20.303 1.00 0.00 O ATOM 0 H ASP A 33 -20.448 16.055 -19.268 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.730 17.830 -20.731 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.670 18.255 -18.431 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.846 19.549 -19.279 1.00 0.00 H new ATOM 543 N VAL A 34 -18.020 17.025 -17.645 1.00 0.00 N ATOM 544 CA VAL A 34 -16.922 16.967 -16.688 1.00 0.00 C ATOM 545 C VAL A 34 -15.628 16.523 -17.373 1.00 0.00 C ATOM 546 O VAL A 34 -14.584 17.155 -17.215 1.00 0.00 O ATOM 547 CB VAL A 34 -17.262 16.012 -15.520 1.00 0.00 C ATOM 548 CG1 VAL A 34 -16.031 15.688 -14.684 1.00 0.00 C ATOM 549 CG2 VAL A 34 -18.341 16.623 -14.640 1.00 0.00 C ATOM 0 H VAL A 34 -18.832 16.464 -17.387 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.775 17.969 -16.285 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.630 15.080 -15.950 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.309 15.015 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.280 15.209 -15.312 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.622 16.608 -14.267 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.572 15.941 -13.821 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.986 17.571 -14.234 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -19.239 16.796 -15.233 1.00 0.00 H new ATOM 559 N GLN A 35 -15.710 15.457 -18.164 1.00 0.00 N ATOM 560 CA GLN A 35 -14.535 14.925 -18.863 1.00 0.00 C ATOM 561 C GLN A 35 -14.013 15.924 -19.883 1.00 0.00 C ATOM 562 O GLN A 35 -12.815 15.987 -20.157 1.00 0.00 O ATOM 563 CB GLN A 35 -14.878 13.614 -19.564 1.00 0.00 C ATOM 564 CG GLN A 35 -15.649 12.670 -18.675 1.00 0.00 C ATOM 565 CD GLN A 35 -15.666 11.245 -19.175 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.599 10.986 -20.375 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.773 10.312 -18.250 1.00 0.00 N ATOM 0 H GLN A 35 -16.573 14.943 -18.339 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.759 14.742 -18.119 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.464 13.826 -20.458 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.958 13.130 -19.893 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.215 12.690 -17.675 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.675 13.026 -18.584 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.826 10.574 -17.266 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.803 9.329 -18.519 1.00 0.00 H new ATOM 576 N ALA A 36 -14.925 16.697 -20.447 1.00 0.00 N ATOM 577 CA ALA A 36 -14.564 17.749 -21.391 1.00 0.00 C ATOM 578 C ALA A 36 -13.688 18.794 -20.714 1.00 0.00 C ATOM 579 O ALA A 36 -12.652 19.193 -21.247 1.00 0.00 O ATOM 580 CB ALA A 36 -15.812 18.391 -21.978 1.00 0.00 C ATOM 0 H ALA A 36 -15.926 16.618 -20.269 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.995 17.302 -22.206 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.523 19.173 -22.680 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.399 17.635 -22.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.409 18.825 -21.176 1.00 0.00 H new ATOM 586 N PHE A 37 -14.100 19.215 -19.529 1.00 0.00 N ATOM 587 CA PHE A 37 -13.321 20.159 -18.744 1.00 0.00 C ATOM 588 C PHE A 37 -11.999 19.530 -18.314 1.00 0.00 C ATOM 589 O PHE A 37 -10.947 20.172 -18.367 1.00 0.00 O ATOM 590 CB PHE A 37 -14.108 20.612 -17.514 1.00 0.00 C ATOM 591 CG PHE A 37 -13.309 21.488 -16.591 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.915 22.754 -16.989 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.944 21.038 -15.336 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.174 23.560 -16.150 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.201 21.840 -14.490 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.817 23.106 -14.899 1.00 0.00 C ATOM 0 H PHE A 37 -14.971 18.917 -19.089 1.00 0.00 H new ATOM 0 HA PHE A 37 -13.112 21.029 -19.366 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.997 21.152 -17.838 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.450 19.734 -16.966 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.191 23.115 -17.969 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.242 20.051 -15.014 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.874 24.546 -16.473 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.920 21.480 -13.511 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.239 23.736 -14.239 1.00 0.00 H new ATOM 606 N LEU A 38 -12.067 18.268 -17.893 1.00 0.00 N ATOM 607 CA LEU A 38 -10.884 17.535 -17.452 1.00 0.00 C ATOM 608 C LEU A 38 -9.817 17.484 -18.536 1.00 0.00 C ATOM 609 O LEU A 38 -8.642 17.701 -18.261 1.00 0.00 O ATOM 610 CB LEU A 38 -11.251 16.110 -17.026 1.00 0.00 C ATOM 611 CG LEU A 38 -11.347 15.882 -15.515 1.00 0.00 C ATOM 612 CD1 LEU A 38 -10.052 16.292 -14.832 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.527 16.639 -14.926 1.00 0.00 C ATOM 0 H LEU A 38 -12.933 17.731 -17.848 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.478 18.072 -16.595 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.208 15.849 -17.478 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.508 15.424 -17.434 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.508 14.818 -15.341 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.138 16.123 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.228 15.698 -15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.861 17.349 -15.019 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.574 16.461 -13.852 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.404 17.706 -15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.450 16.293 -15.392 1.00 0.00 H new ATOM 625 N LYS A 39 -10.224 17.206 -19.767 1.00 0.00 N ATOM 626 CA LYS A 39 -9.265 17.089 -20.858 1.00 0.00 C ATOM 627 C LYS A 39 -8.740 18.460 -21.271 1.00 0.00 C ATOM 628 O LYS A 39 -7.616 18.578 -21.757 1.00 0.00 O ATOM 629 CB LYS A 39 -9.863 16.359 -22.071 1.00 0.00 C ATOM 630 CG LYS A 39 -10.921 17.151 -22.824 1.00 0.00 C ATOM 631 CD LYS A 39 -11.132 16.606 -24.230 1.00 0.00 C ATOM 632 CE LYS A 39 -11.854 15.264 -24.234 1.00 0.00 C ATOM 633 NZ LYS A 39 -13.303 15.403 -23.921 1.00 0.00 N ATOM 0 H LYS A 39 -11.197 17.059 -20.034 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.432 16.491 -20.489 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.057 16.106 -22.760 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.301 15.420 -21.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.862 17.117 -22.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.622 18.198 -22.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.707 17.326 -24.813 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.166 16.496 -24.722 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.739 14.794 -25.211 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.389 14.601 -23.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.838 14.660 -24.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.447 15.310 -22.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.638 16.336 -24.235 1.00 0.00 H new ATOM 647 N GLU A 40 -9.549 19.496 -21.075 1.00 0.00 N ATOM 648 CA GLU A 40 -9.131 20.856 -21.398 1.00 0.00 C ATOM 649 C GLU A 40 -7.997 21.298 -20.479 1.00 0.00 C ATOM 650 O GLU A 40 -6.915 21.684 -20.927 1.00 0.00 O ATOM 651 CB GLU A 40 -10.299 21.833 -21.252 1.00 0.00 C ATOM 652 CG GLU A 40 -9.949 23.247 -21.687 1.00 0.00 C ATOM 653 CD GLU A 40 -11.127 24.201 -21.636 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.585 24.543 -20.525 1.00 0.00 O ATOM 655 OE2 GLU A 40 -11.574 24.649 -22.713 1.00 0.00 O ATOM 0 H GLU A 40 -10.493 19.421 -20.696 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.786 20.860 -22.432 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.141 21.475 -21.844 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.624 21.849 -20.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.153 23.629 -21.048 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.556 23.220 -22.703 1.00 0.00 H new ATOM 662 N ASN A 41 -8.256 21.220 -19.188 1.00 0.00 N ATOM 663 CA ASN A 41 -7.324 21.717 -18.181 1.00 0.00 C ATOM 664 C ASN A 41 -6.547 20.580 -17.524 1.00 0.00 C ATOM 665 O ASN A 41 -6.125 20.689 -16.373 1.00 0.00 O ATOM 666 CB ASN A 41 -8.084 22.523 -17.127 1.00 0.00 C ATOM 667 CG ASN A 41 -8.597 23.842 -17.670 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.924 24.867 -17.585 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.794 23.825 -18.237 1.00 0.00 N ATOM 0 H ASN A 41 -9.110 20.815 -18.805 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.600 22.363 -18.678 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.923 21.934 -16.758 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.429 22.713 -16.276 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.188 24.683 -18.623 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.322 22.954 -18.288 1.00 0.00 H new ATOM 676 N GLU A 42 -6.322 19.511 -18.281 1.00 0.00 N ATOM 677 CA GLU A 42 -5.631 18.324 -17.775 1.00 0.00 C ATOM 678 C GLU A 42 -4.207 18.642 -17.303 1.00 0.00 C ATOM 679 O GLU A 42 -3.666 17.964 -16.426 1.00 0.00 O ATOM 680 CB GLU A 42 -5.595 17.233 -18.854 1.00 0.00 C ATOM 681 CG GLU A 42 -4.957 17.683 -20.161 1.00 0.00 C ATOM 682 CD GLU A 42 -4.925 16.584 -21.204 1.00 0.00 C ATOM 683 OE1 GLU A 42 -4.855 15.398 -20.824 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.953 16.903 -22.412 1.00 0.00 O ATOM 0 H GLU A 42 -6.610 19.440 -19.257 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.191 17.965 -16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.046 16.373 -18.470 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.613 16.899 -19.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.509 18.537 -20.555 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.940 18.023 -19.966 1.00 0.00 H new ATOM 691 N GLU A 43 -3.605 19.670 -17.881 1.00 0.00 N ATOM 692 CA GLU A 43 -2.245 20.054 -17.520 1.00 0.00 C ATOM 693 C GLU A 43 -2.239 20.986 -16.308 1.00 0.00 C ATOM 694 O GLU A 43 -1.259 21.053 -15.568 1.00 0.00 O ATOM 695 CB GLU A 43 -1.554 20.728 -18.711 1.00 0.00 C ATOM 696 CG GLU A 43 -0.070 20.993 -18.495 1.00 0.00 C ATOM 697 CD GLU A 43 0.723 19.719 -18.272 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.780 19.244 -17.118 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.287 19.183 -19.247 1.00 0.00 O ATOM 0 H GLU A 43 -4.033 20.253 -18.600 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.696 19.151 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.676 20.099 -19.593 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.055 21.673 -18.922 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.331 21.520 -19.361 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.057 21.651 -17.635 1.00 0.00 H new ATOM 706 N VAL A 44 -3.348 21.679 -16.090 1.00 0.00 N ATOM 707 CA VAL A 44 -3.413 22.716 -15.066 1.00 0.00 C ATOM 708 C VAL A 44 -3.935 22.155 -13.747 1.00 0.00 C ATOM 709 O VAL A 44 -3.506 22.560 -12.665 1.00 0.00 O ATOM 710 CB VAL A 44 -4.322 23.879 -15.521 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.247 25.045 -14.544 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.952 24.332 -16.928 1.00 0.00 C ATOM 0 H VAL A 44 -4.216 21.543 -16.608 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.400 23.088 -14.915 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.350 23.517 -15.536 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.896 25.850 -14.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.571 24.714 -13.557 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.220 25.406 -14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.604 25.152 -17.230 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.916 24.669 -16.941 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.071 23.500 -17.621 1.00 0.00 H new ATOM 722 N ILE A 45 -4.855 21.212 -13.848 1.00 0.00 N ATOM 723 CA ILE A 45 -5.469 20.621 -12.673 1.00 0.00 C ATOM 724 C ILE A 45 -4.651 19.430 -12.184 1.00 0.00 C ATOM 725 O ILE A 45 -3.967 18.770 -12.967 1.00 0.00 O ATOM 726 CB ILE A 45 -6.911 20.161 -12.978 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.709 21.302 -13.603 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.601 19.670 -11.714 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.094 20.891 -14.047 1.00 0.00 C ATOM 0 H ILE A 45 -5.194 20.838 -14.735 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.498 21.383 -11.894 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.862 19.334 -13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.793 22.115 -12.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.161 21.692 -14.461 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.615 19.351 -11.954 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.045 18.829 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.638 20.477 -10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.606 21.749 -14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.017 20.099 -14.792 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.659 20.528 -13.188 1.00 0.00 H new ATOM 741 N ASP A 46 -4.704 19.173 -10.889 1.00 0.00 N ATOM 742 CA ASP A 46 -4.059 17.999 -10.321 1.00 0.00 C ATOM 743 C ASP A 46 -5.103 17.121 -9.660 1.00 0.00 C ATOM 744 O ASP A 46 -6.210 17.572 -9.372 1.00 0.00 O ATOM 745 CB ASP A 46 -3.001 18.394 -9.291 1.00 0.00 C ATOM 746 CG ASP A 46 -2.225 17.209 -8.744 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.232 16.789 -9.375 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.605 16.699 -7.667 1.00 0.00 O ATOM 0 H ASP A 46 -5.187 19.761 -10.209 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.566 17.455 -11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.304 19.097 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.485 18.916 -8.465 1.00 0.00 H new ATOM 753 N GLN A 47 -4.737 15.882 -9.409 1.00 0.00 N ATOM 754 CA GLN A 47 -5.624 14.921 -8.783 1.00 0.00 C ATOM 755 C GLN A 47 -6.077 15.390 -7.404 1.00 0.00 C ATOM 756 O GLN A 47 -7.234 15.211 -7.038 1.00 0.00 O ATOM 757 CB GLN A 47 -4.910 13.589 -8.673 1.00 0.00 C ATOM 758 CG GLN A 47 -4.673 12.919 -10.018 1.00 0.00 C ATOM 759 CD GLN A 47 -5.962 12.626 -10.765 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.558 11.564 -10.606 1.00 0.00 O ATOM 761 NE2 GLN A 47 -6.397 13.562 -11.599 1.00 0.00 N ATOM 0 H GLN A 47 -3.814 15.511 -9.633 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.516 14.817 -9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.952 13.739 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.496 12.922 -8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.041 13.560 -10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.128 11.988 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.876 14.432 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.253 13.411 -12.133 1.00 0.00 H new ATOM 770 N LYS A 48 -5.172 16.003 -6.645 1.00 0.00 N ATOM 771 CA LYS A 48 -5.525 16.509 -5.323 1.00 0.00 C ATOM 772 C LYS A 48 -6.558 17.623 -5.435 1.00 0.00 C ATOM 773 O LYS A 48 -7.470 17.726 -4.618 1.00 0.00 O ATOM 774 CB LYS A 48 -4.296 17.027 -4.578 1.00 0.00 C ATOM 775 CG LYS A 48 -3.330 15.936 -4.146 1.00 0.00 C ATOM 776 CD LYS A 48 -2.399 16.420 -3.042 1.00 0.00 C ATOM 777 CE LYS A 48 -1.576 17.629 -3.470 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.685 18.103 -2.379 1.00 0.00 N ATOM 0 H LYS A 48 -4.202 16.160 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.948 15.678 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.767 17.734 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.624 17.578 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.891 15.069 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.741 15.610 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.987 16.677 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.729 15.610 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.976 17.370 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.244 18.436 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.141 18.926 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.259 18.374 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.030 17.341 -2.110 1.00 0.00 H new ATOM 792 N MET A 49 -6.404 18.451 -6.459 1.00 0.00 N ATOM 793 CA MET A 49 -7.340 19.541 -6.712 1.00 0.00 C ATOM 794 C MET A 49 -8.700 18.984 -7.121 1.00 0.00 C ATOM 795 O MET A 49 -9.738 19.573 -6.826 1.00 0.00 O ATOM 796 CB MET A 49 -6.789 20.476 -7.792 1.00 0.00 C ATOM 797 CG MET A 49 -6.777 21.936 -7.373 1.00 0.00 C ATOM 798 SD MET A 49 -5.800 22.977 -8.476 1.00 0.00 S ATOM 799 CE MET A 49 -6.820 22.988 -9.944 1.00 0.00 C ATOM 0 H MET A 49 -5.638 18.389 -7.130 1.00 0.00 H new ATOM 0 HA MET A 49 -7.466 20.116 -5.795 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.774 20.169 -8.045 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.389 20.369 -8.696 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.801 22.308 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.380 22.015 -6.361 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.191 23.133 -10.823 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.348 22.038 -10.028 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.544 23.800 -9.878 1.00 0.00 H new ATOM 809 N ILE A 50 -8.673 17.837 -7.797 1.00 0.00 N ATOM 810 CA ILE A 50 -9.890 17.125 -8.166 1.00 0.00 C ATOM 811 C ILE A 50 -10.633 16.668 -6.917 1.00 0.00 C ATOM 812 O ILE A 50 -11.840 16.850 -6.805 1.00 0.00 O ATOM 813 CB ILE A 50 -9.581 15.895 -9.058 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.004 16.340 -10.405 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.830 15.045 -9.271 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.972 17.144 -11.249 1.00 0.00 C ATOM 0 H ILE A 50 -7.813 17.380 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.514 17.815 -8.734 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.838 15.285 -8.544 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.109 16.937 -10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.693 15.458 -10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.585 14.189 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.199 14.693 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.599 15.644 -9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.492 17.423 -12.187 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.857 16.544 -11.459 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.264 18.045 -10.709 1.00 0.00 H new ATOM 828 N GLU A 51 -9.898 16.086 -5.977 1.00 0.00 N ATOM 829 CA GLU A 51 -10.488 15.597 -4.736 1.00 0.00 C ATOM 830 C GLU A 51 -10.992 16.760 -3.881 1.00 0.00 C ATOM 831 O GLU A 51 -12.059 16.684 -3.275 1.00 0.00 O ATOM 832 CB GLU A 51 -9.470 14.771 -3.940 1.00 0.00 C ATOM 833 CG GLU A 51 -8.811 13.658 -4.743 1.00 0.00 C ATOM 834 CD GLU A 51 -9.807 12.738 -5.423 1.00 0.00 C ATOM 835 OE1 GLU A 51 -10.279 11.772 -4.781 1.00 0.00 O ATOM 836 OE2 GLU A 51 -10.110 12.963 -6.608 1.00 0.00 O ATOM 0 H GLU A 51 -8.891 15.941 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.333 14.959 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.696 15.437 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.969 14.334 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.161 14.100 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.176 13.069 -4.081 1.00 0.00 H new ATOM 843 N LYS A 52 -10.214 17.834 -3.843 1.00 0.00 N ATOM 844 CA LYS A 52 -10.563 19.009 -3.055 1.00 0.00 C ATOM 845 C LYS A 52 -11.805 19.694 -3.615 1.00 0.00 C ATOM 846 O LYS A 52 -12.696 20.091 -2.866 1.00 0.00 O ATOM 847 CB LYS A 52 -9.391 19.994 -3.026 1.00 0.00 C ATOM 848 CG LYS A 52 -9.657 21.245 -2.203 1.00 0.00 C ATOM 849 CD LYS A 52 -9.880 20.918 -0.735 1.00 0.00 C ATOM 850 CE LYS A 52 -10.097 22.175 0.090 1.00 0.00 C ATOM 851 NZ LYS A 52 -11.355 22.879 -0.275 1.00 0.00 N ATOM 0 H LYS A 52 -9.333 17.916 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.781 18.682 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.513 19.487 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.151 20.288 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.814 21.929 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.533 21.760 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.745 20.262 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.020 20.372 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.124 21.913 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.252 22.849 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.530 23.650 0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.267 23.272 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.149 22.208 -0.247 1.00 0.00 H new ATOM 865 N SER A 53 -11.863 19.827 -4.931 1.00 0.00 N ATOM 866 CA SER A 53 -12.978 20.497 -5.576 1.00 0.00 C ATOM 867 C SER A 53 -13.989 19.485 -6.112 1.00 0.00 C ATOM 868 O SER A 53 -14.819 19.814 -6.960 1.00 0.00 O ATOM 869 CB SER A 53 -12.467 21.398 -6.701 1.00 0.00 C ATOM 870 OG SER A 53 -11.557 22.366 -6.197 1.00 0.00 O ATOM 0 H SER A 53 -11.150 19.479 -5.572 1.00 0.00 H new ATOM 0 HA SER A 53 -13.486 21.114 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.976 20.793 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.307 21.898 -7.183 1.00 0.00 H new ATOM 0 HG SER A 53 -10.815 22.476 -6.827 1.00 0.00 H new ATOM 876 N LEU A 54 -13.934 18.263 -5.593 1.00 0.00 N ATOM 877 CA LEU A 54 -14.872 17.220 -5.977 1.00 0.00 C ATOM 878 C LEU A 54 -16.281 17.632 -5.579 1.00 0.00 C ATOM 879 O LEU A 54 -17.257 17.267 -6.232 1.00 0.00 O ATOM 880 CB LEU A 54 -14.499 15.894 -5.310 1.00 0.00 C ATOM 881 CG LEU A 54 -15.325 14.686 -5.751 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.124 14.407 -7.232 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.967 13.466 -4.920 1.00 0.00 C ATOM 0 H LEU A 54 -13.244 17.972 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.830 17.083 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.448 15.688 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.600 16.008 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.379 14.914 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.721 13.543 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.435 15.276 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.071 14.201 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.564 12.615 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.909 13.237 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.171 13.669 -3.869 1.00 0.00 H new ATOM 895 N ASN A 55 -16.366 18.411 -4.508 1.00 0.00 N ATOM 896 CA ASN A 55 -17.628 18.985 -4.066 1.00 0.00 C ATOM 897 C ASN A 55 -18.189 19.904 -5.144 1.00 0.00 C ATOM 898 O ASN A 55 -19.388 19.934 -5.383 1.00 0.00 O ATOM 899 CB ASN A 55 -17.441 19.760 -2.748 1.00 0.00 C ATOM 900 CG ASN A 55 -16.499 20.953 -2.875 1.00 0.00 C ATOM 901 OD1 ASN A 55 -15.559 20.944 -3.669 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.748 21.990 -2.093 1.00 0.00 N ATOM 0 H ASN A 55 -15.567 18.661 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.335 18.174 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.413 20.109 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.055 19.081 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.152 22.817 -2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.536 21.963 -1.446 1.00 0.00 H new ATOM 909 N LYS A 56 -17.300 20.635 -5.805 1.00 0.00 N ATOM 910 CA LYS A 56 -17.679 21.552 -6.869 1.00 0.00 C ATOM 911 C LYS A 56 -18.032 20.803 -8.145 1.00 0.00 C ATOM 912 O LYS A 56 -18.981 21.161 -8.828 1.00 0.00 O ATOM 913 CB LYS A 56 -16.556 22.556 -7.119 1.00 0.00 C ATOM 914 CG LYS A 56 -16.462 23.608 -6.031 1.00 0.00 C ATOM 915 CD LYS A 56 -17.542 24.666 -6.207 1.00 0.00 C ATOM 916 CE LYS A 56 -17.930 25.317 -4.889 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.980 24.541 -4.178 1.00 0.00 N ATOM 0 H LYS A 56 -16.298 20.608 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.570 22.095 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.607 22.024 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.718 23.045 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.564 23.137 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.479 24.078 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.189 25.431 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.424 24.211 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.049 25.404 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.289 26.329 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.914 24.723 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.918 24.830 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.843 23.526 -4.358 1.00 0.00 H new ATOM 931 N LEU A 57 -17.266 19.768 -8.464 1.00 0.00 N ATOM 932 CA LEU A 57 -17.576 18.925 -9.617 1.00 0.00 C ATOM 933 C LEU A 57 -18.931 18.250 -9.426 1.00 0.00 C ATOM 934 O LEU A 57 -19.739 18.163 -10.351 1.00 0.00 O ATOM 935 CB LEU A 57 -16.483 17.869 -9.835 1.00 0.00 C ATOM 936 CG LEU A 57 -15.281 18.310 -10.685 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.738 18.763 -12.063 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.491 19.414 -10.000 1.00 0.00 C ATOM 0 H LEU A 57 -16.431 19.491 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.617 19.560 -10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.115 17.549 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.936 16.997 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.623 17.449 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.873 19.071 -12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.244 17.940 -12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.425 19.603 -11.961 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.648 19.702 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.136 20.278 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.121 19.055 -9.040 1.00 0.00 H new ATOM 950 N TYR A 58 -19.175 17.797 -8.205 1.00 0.00 N ATOM 951 CA TYR A 58 -20.426 17.141 -7.853 1.00 0.00 C ATOM 952 C TYR A 58 -21.578 18.146 -7.856 1.00 0.00 C ATOM 953 O TYR A 58 -22.657 17.877 -8.385 1.00 0.00 O ATOM 954 CB TYR A 58 -20.284 16.496 -6.472 1.00 0.00 C ATOM 955 CG TYR A 58 -21.298 15.423 -6.188 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.382 14.304 -6.999 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.158 15.517 -5.102 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.297 13.306 -6.744 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.079 14.524 -4.835 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.146 13.420 -5.659 1.00 0.00 C ATOM 961 OH TYR A 58 -24.063 12.424 -5.396 1.00 0.00 O ATOM 0 H TYR A 58 -18.514 17.873 -7.432 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.649 16.371 -8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.285 16.069 -6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.368 17.271 -5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.719 14.212 -7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.106 16.381 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.351 12.440 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -23.742 14.611 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.581 12.659 -4.598 1.00 0.00 H new ATOM 971 N GLU A 59 -21.329 19.308 -7.270 1.00 0.00 N ATOM 972 CA GLU A 59 -22.305 20.388 -7.222 1.00 0.00 C ATOM 973 C GLU A 59 -22.611 20.891 -8.633 1.00 0.00 C ATOM 974 O GLU A 59 -23.742 21.263 -8.946 1.00 0.00 O ATOM 975 CB GLU A 59 -21.749 21.518 -6.351 1.00 0.00 C ATOM 976 CG GLU A 59 -22.676 22.703 -6.165 1.00 0.00 C ATOM 977 CD GLU A 59 -22.068 23.756 -5.261 1.00 0.00 C ATOM 978 OE1 GLU A 59 -21.170 24.495 -5.715 1.00 0.00 O ATOM 979 OE2 GLU A 59 -22.462 23.831 -4.078 1.00 0.00 O ATOM 0 H GLU A 59 -20.444 19.529 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.237 20.024 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.503 21.112 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.817 21.871 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.902 23.144 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.621 22.362 -5.742 1.00 0.00 H new ATOM 986 N TYR A 60 -21.589 20.890 -9.478 1.00 0.00 N ATOM 987 CA TYR A 60 -21.725 21.289 -10.873 1.00 0.00 C ATOM 988 C TYR A 60 -22.792 20.465 -11.585 1.00 0.00 C ATOM 989 O TYR A 60 -23.751 21.014 -12.127 1.00 0.00 O ATOM 990 CB TYR A 60 -20.373 21.137 -11.585 1.00 0.00 C ATOM 991 CG TYR A 60 -20.457 21.106 -13.094 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.783 22.242 -13.817 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.205 19.931 -13.794 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.854 22.210 -15.197 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.274 19.892 -15.172 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.600 21.033 -15.870 1.00 0.00 C ATOM 997 OH TYR A 60 -20.668 20.999 -17.243 1.00 0.00 O ATOM 0 H TYR A 60 -20.643 20.613 -9.216 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.038 22.333 -10.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -19.725 21.962 -11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -19.898 20.218 -11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -20.985 23.166 -13.295 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.951 19.033 -13.250 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.108 23.104 -15.747 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.073 18.971 -15.700 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.430 21.878 -17.604 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.634 19.148 -11.555 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.514 18.258 -12.296 1.00 0.00 C ATOM 1009 C ILE A 61 -24.922 18.228 -11.713 1.00 0.00 C ATOM 1010 O ILE A 61 -25.892 18.052 -12.444 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.956 16.818 -12.375 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.625 16.273 -10.981 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.728 16.784 -13.268 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -22.095 14.855 -10.992 1.00 0.00 C ATOM 0 H ILE A 61 -21.903 18.673 -11.024 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.565 18.665 -13.306 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.725 16.177 -12.807 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.887 16.924 -10.512 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.522 16.311 -10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -21.342 15.766 -13.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.997 17.119 -14.270 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.962 17.443 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.883 14.538 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.840 14.191 -11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -21.179 14.813 -11.582 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.049 18.415 -10.405 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.352 18.278 -9.770 1.00 0.00 C ATOM 1028 C GLU A 62 -27.214 19.529 -9.942 1.00 0.00 C ATOM 1029 O GLU A 62 -28.440 19.434 -9.908 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.224 17.926 -8.285 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.642 19.026 -7.419 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.700 18.676 -5.948 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -24.840 17.902 -5.481 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.623 19.149 -5.253 1.00 0.00 O ATOM 0 H GLU A 62 -24.284 18.657 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.853 17.454 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.210 17.665 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.599 17.038 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.607 19.207 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.188 19.953 -7.594 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.600 20.695 -10.143 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.385 21.927 -10.231 1.00 0.00 C ATOM 1043 C GLN A 63 -28.057 22.073 -11.585 1.00 0.00 C ATOM 1044 O GLN A 63 -29.180 22.565 -11.670 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.506 23.155 -9.995 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.969 23.286 -8.585 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.077 24.500 -8.431 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.541 25.589 -8.094 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -23.791 24.326 -8.689 1.00 0.00 N ATOM 0 H GLN A 63 -25.592 20.813 -10.245 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.150 21.861 -9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.665 23.122 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.082 24.049 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -26.801 23.356 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.408 22.388 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.446 23.407 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.144 25.111 -8.611 1.00 0.00 H new ATOM 1058 N SER A 64 -27.401 21.567 -12.618 1.00 0.00 N ATOM 1059 CA SER A 64 -27.857 21.712 -13.989 1.00 0.00 C ATOM 1060 C SER A 64 -26.916 21.003 -14.957 1.00 0.00 C ATOM 1061 O SER A 64 -25.734 21.339 -15.036 1.00 0.00 O ATOM 1062 CB SER A 64 -27.914 23.190 -14.371 1.00 0.00 C ATOM 1063 OG SER A 64 -29.063 23.832 -13.848 1.00 0.00 O ATOM 0 H SER A 64 -26.532 21.041 -12.526 1.00 0.00 H new ATOM 0 HA SER A 64 -28.849 21.265 -14.055 1.00 0.00 H new ATOM 0 HB2 SER A 64 -27.020 23.693 -14.004 1.00 0.00 H new ATOM 0 HB3 SER A 64 -27.910 23.284 -15.457 1.00 0.00 H new ATOM 0 HG SER A 64 -29.471 23.264 -13.162 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.428 20.013 -15.675 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.685 19.434 -16.786 1.00 0.00 C ATOM 1071 C LYS A 65 -26.942 20.258 -18.040 1.00 0.00 C ATOM 1072 O LYS A 65 -26.020 20.705 -18.723 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.072 17.969 -17.037 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.599 17.006 -15.958 1.00 0.00 C ATOM 1075 CD LYS A 65 -27.521 16.996 -14.749 1.00 0.00 C ATOM 1076 CE LYS A 65 -28.854 16.335 -15.065 1.00 0.00 C ATOM 1077 NZ LYS A 65 -28.674 14.959 -15.596 1.00 0.00 N ATOM 0 H LYS A 65 -28.345 19.597 -15.511 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.625 19.451 -16.531 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -28.157 17.900 -17.120 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -26.659 17.655 -17.995 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -26.537 16.000 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.593 17.283 -15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -27.038 16.467 -13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -27.692 18.019 -14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -29.465 16.300 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -29.395 16.938 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -29.548 14.414 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -28.458 15.005 -16.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -27.890 14.494 -15.096 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.218 20.463 -18.320 1.00 0.00 N ATOM 1092 CA ASN A 66 -28.645 21.242 -19.468 1.00 0.00 C ATOM 1093 C ASN A 66 -29.378 22.494 -19.003 1.00 0.00 C ATOM 1094 O ASN A 66 -29.194 22.946 -17.877 1.00 0.00 O ATOM 1095 CB ASN A 66 -29.534 20.387 -20.389 1.00 0.00 C ATOM 1096 CG ASN A 66 -30.747 19.788 -19.691 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -31.291 20.362 -18.748 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -31.177 18.626 -20.154 1.00 0.00 N ATOM 0 H ASN A 66 -28.985 20.094 -17.758 1.00 0.00 H new ATOM 0 HA ASN A 66 -27.769 21.552 -20.038 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -29.873 21.001 -21.223 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -28.934 19.580 -20.810 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -31.986 18.175 -19.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.699 18.181 -20.938 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.200 23.056 -19.870 1.00 0.00 N ATOM 1106 CA CYS A 67 -30.970 24.231 -19.519 1.00 0.00 C ATOM 1107 C CYS A 67 -32.239 24.257 -20.346 1.00 0.00 C ATOM 1108 O CYS A 67 -32.310 23.587 -21.373 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.172 25.511 -19.763 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.152 26.047 -21.503 1.00 0.00 S ATOM 0 H CYS A 67 -30.350 22.717 -20.820 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.212 24.182 -18.457 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.590 26.310 -19.151 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.146 25.357 -19.428 1.00 0.00 H new ATOM 0 HG CYS A 67 -29.055 25.641 -22.069 1.00 0.00 H new ATOM 1115 N SER A 68 -33.201 25.061 -19.923 1.00 0.00 N ATOM 1116 CA SER A 68 -34.498 25.161 -20.602 1.00 0.00 C ATOM 1117 C SER A 68 -34.324 25.501 -22.088 1.00 0.00 C ATOM 1118 O SER A 68 -35.100 25.060 -22.933 1.00 0.00 O ATOM 1119 CB SER A 68 -35.365 26.222 -19.912 1.00 0.00 C ATOM 1120 OG SER A 68 -36.635 26.337 -20.526 1.00 0.00 O ATOM 0 H SER A 68 -33.113 25.663 -19.104 1.00 0.00 H new ATOM 0 HA SER A 68 -34.993 24.192 -20.538 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.491 25.963 -18.861 1.00 0.00 H new ATOM 0 HB3 SER A 68 -34.856 27.185 -19.944 1.00 0.00 H new ATOM 0 HG SER A 68 -37.162 27.020 -20.061 1.00 0.00 H new ATOM 1126 N TYR A 69 -33.268 26.246 -22.402 1.00 0.00 N ATOM 1127 CA TYR A 69 -32.994 26.670 -23.775 1.00 0.00 C ATOM 1128 C TYR A 69 -32.440 25.530 -24.627 1.00 0.00 C ATOM 1129 O TYR A 69 -32.027 25.742 -25.760 1.00 0.00 O ATOM 1130 CB TYR A 69 -31.991 27.814 -23.767 1.00 0.00 C ATOM 1131 CG TYR A 69 -32.477 29.045 -24.490 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -32.714 29.017 -25.857 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -32.712 30.228 -23.804 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.171 30.139 -26.521 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.171 31.351 -24.459 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.397 31.303 -25.814 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.858 32.423 -26.464 1.00 0.00 O ATOM 0 H TYR A 69 -32.583 26.571 -21.720 1.00 0.00 H new ATOM 0 HA TYR A 69 -33.939 26.992 -24.212 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -31.759 28.076 -22.735 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.062 27.476 -24.226 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.539 28.106 -26.409 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.532 30.270 -22.740 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -33.350 30.106 -27.586 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.352 32.264 -23.910 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.965 33.154 -25.820 1.00 0.00 H new ATOM 1147 N CYS A 70 -32.385 24.341 -24.061 1.00 0.00 N ATOM 1148 CA CYS A 70 -31.962 23.166 -24.813 1.00 0.00 C ATOM 1149 C CYS A 70 -32.611 21.911 -24.244 1.00 0.00 C ATOM 1150 O CYS A 70 -32.147 20.798 -24.471 1.00 0.00 O ATOM 1151 CB CYS A 70 -30.440 23.021 -24.782 1.00 0.00 C ATOM 1152 SG CYS A 70 -29.757 22.702 -23.124 1.00 0.00 S ATOM 0 H CYS A 70 -32.626 24.158 -23.087 1.00 0.00 H new ATOM 0 HA CYS A 70 -32.279 23.294 -25.848 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -30.150 22.206 -25.446 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -29.991 23.931 -25.179 1.00 0.00 H new ATOM 0 HG CYS A 70 -29.818 23.789 -22.413 1.00 0.00 H new ATOM 1157 N SER A 71 -33.685 22.104 -23.499 1.00 0.00 N ATOM 1158 CA SER A 71 -34.381 20.999 -22.870 1.00 0.00 C ATOM 1159 C SER A 71 -35.865 21.093 -23.183 1.00 0.00 C ATOM 1160 O SER A 71 -36.380 22.184 -23.445 1.00 0.00 O ATOM 1161 CB SER A 71 -34.150 21.027 -21.353 1.00 0.00 C ATOM 1162 OG SER A 71 -34.723 19.902 -20.711 1.00 0.00 O ATOM 0 H SER A 71 -34.094 23.020 -23.315 1.00 0.00 H new ATOM 0 HA SER A 71 -33.994 20.057 -23.260 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.080 21.055 -21.149 1.00 0.00 H new ATOM 0 HB3 SER A 71 -34.578 21.939 -20.937 1.00 0.00 H new ATOM 0 HG SER A 71 -34.655 20.010 -19.739 1.00 0.00 H new ATOM 1168 N GLU A 72 -36.542 19.957 -23.176 1.00 0.00 N ATOM 1169 CA GLU A 72 -37.972 19.935 -23.417 1.00 0.00 C ATOM 1170 C GLU A 72 -38.704 20.386 -22.159 1.00 0.00 C ATOM 1171 O GLU A 72 -39.805 20.935 -22.223 1.00 0.00 O ATOM 1172 CB GLU A 72 -38.419 18.530 -23.822 1.00 0.00 C ATOM 1173 CG GLU A 72 -39.752 18.509 -24.549 1.00 0.00 C ATOM 1174 CD GLU A 72 -39.725 19.324 -25.829 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -38.649 19.420 -26.458 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -40.784 19.859 -26.226 1.00 0.00 O ATOM 0 H GLU A 72 -36.125 19.042 -23.007 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.211 20.617 -24.233 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -37.657 18.084 -24.462 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.490 17.908 -22.930 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.019 17.478 -24.783 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.528 18.898 -23.890 1.00 0.00 H new ATOM 1183 N ASP A 73 -38.067 20.167 -21.018 1.00 0.00 N ATOM 1184 CA ASP A 73 -38.631 20.549 -19.736 1.00 0.00 C ATOM 1185 C ASP A 73 -38.322 22.005 -19.436 1.00 0.00 C ATOM 1186 O ASP A 73 -37.173 22.435 -19.526 1.00 0.00 O ATOM 1187 CB ASP A 73 -38.069 19.679 -18.606 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.408 18.210 -18.754 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -37.828 17.541 -19.635 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -39.247 17.709 -17.972 1.00 0.00 O ATOM 0 H ASP A 73 -37.151 19.722 -20.957 1.00 0.00 H new ATOM 0 HA ASP A 73 -39.710 20.405 -19.794 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -36.985 19.793 -18.574 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.456 20.040 -17.653 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.350 22.756 -19.087 1.00 0.00 N ATOM 1196 CA GLU A 74 -39.176 24.131 -18.650 1.00 0.00 C ATOM 1197 C GLU A 74 -39.894 24.367 -17.331 1.00 0.00 C ATOM 1198 O GLU A 74 -39.788 25.438 -16.731 1.00 0.00 O ATOM 1199 CB GLU A 74 -39.655 25.113 -19.713 1.00 0.00 C ATOM 1200 CG GLU A 74 -40.979 24.754 -20.359 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.176 24.918 -19.440 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -42.518 26.072 -19.098 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -42.784 23.894 -19.062 1.00 0.00 O ATOM 0 H GLU A 74 -40.319 22.436 -19.097 1.00 0.00 H new ATOM 0 HA GLU A 74 -38.111 24.303 -18.497 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -39.743 26.101 -19.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -38.895 25.184 -20.491 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.123 25.378 -21.241 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -40.936 23.721 -20.703 1.00 0.00 H new ATOM 1210 N ASN A 75 -40.611 23.350 -16.879 1.00 0.00 N ATOM 1211 CA ASN A 75 -41.423 23.460 -15.672 1.00 0.00 C ATOM 1212 C ASN A 75 -40.559 23.422 -14.423 1.00 0.00 C ATOM 1213 O ASN A 75 -40.792 24.171 -13.478 1.00 0.00 O ATOM 1214 CB ASN A 75 -42.458 22.332 -15.616 1.00 0.00 C ATOM 1215 CG ASN A 75 -43.386 22.448 -14.422 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -43.099 21.934 -13.341 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -44.512 23.114 -14.616 1.00 0.00 N ATOM 0 H ASN A 75 -40.649 22.436 -17.330 1.00 0.00 H new ATOM 0 HA ASN A 75 -41.939 24.420 -15.708 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -43.049 22.340 -16.532 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -41.942 21.373 -15.578 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -45.181 23.217 -13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -44.711 23.525 -15.528 1.00 0.00 H new ATOM 1224 N CYS A 76 -39.557 22.559 -14.427 1.00 0.00 N ATOM 1225 CA CYS A 76 -38.721 22.360 -13.250 1.00 0.00 C ATOM 1226 C CYS A 76 -37.320 21.908 -13.647 1.00 0.00 C ATOM 1227 O CYS A 76 -36.622 21.259 -12.869 1.00 0.00 O ATOM 1228 CB CYS A 76 -39.363 21.321 -12.330 1.00 0.00 C ATOM 1229 SG CYS A 76 -39.623 19.710 -13.111 1.00 0.00 S ATOM 0 H CYS A 76 -39.301 21.985 -15.230 1.00 0.00 H new ATOM 0 HA CYS A 76 -38.637 23.310 -12.722 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -38.732 21.190 -11.451 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -40.322 21.703 -11.980 1.00 0.00 H new ATOM 0 HG CYS A 76 -40.168 18.896 -12.256 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.909 22.270 -14.852 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.648 21.785 -15.402 1.00 0.00 C ATOM 1237 C ASN A 77 -34.458 22.373 -14.656 1.00 0.00 C ATOM 1238 O ASN A 77 -33.664 21.645 -14.059 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.543 22.130 -16.888 1.00 0.00 C ATOM 1240 CG ASN A 77 -34.386 21.420 -17.564 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.537 20.306 -18.060 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.224 22.058 -17.598 1.00 0.00 N ATOM 0 H ASN A 77 -37.427 22.896 -15.468 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.632 20.702 -15.282 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -36.473 21.861 -17.388 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -35.421 23.207 -17.001 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -32.417 21.625 -18.047 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -33.137 22.982 -17.175 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.346 23.691 -14.678 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.218 24.369 -14.053 1.00 0.00 C ATOM 1251 C ASN A 78 -33.562 25.836 -13.811 1.00 0.00 C ATOM 1252 O ASN A 78 -34.446 26.384 -14.470 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.962 24.227 -14.927 1.00 0.00 C ATOM 1254 CG ASN A 78 -31.858 25.268 -16.025 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -32.464 25.139 -17.093 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -31.050 26.285 -15.789 1.00 0.00 N ATOM 0 H ASN A 78 -35.021 24.314 -15.121 1.00 0.00 H new ATOM 0 HA ASN A 78 -33.009 23.905 -13.089 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.079 24.294 -14.291 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.955 23.235 -15.378 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -30.908 27.000 -16.502 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -30.567 26.356 -14.893 1.00 0.00 H new ATOM 1263 N LEU A 79 -32.876 26.461 -12.863 1.00 0.00 N ATOM 1264 CA LEU A 79 -33.192 27.826 -12.463 1.00 0.00 C ATOM 1265 C LEU A 79 -32.732 28.831 -13.519 1.00 0.00 C ATOM 1266 O LEU A 79 -33.531 29.612 -14.036 1.00 0.00 O ATOM 1267 CB LEU A 79 -32.547 28.119 -11.100 1.00 0.00 C ATOM 1268 CG LEU A 79 -33.017 29.387 -10.371 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -32.364 30.637 -10.942 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -34.531 29.510 -10.424 1.00 0.00 C ATOM 0 H LEU A 79 -32.096 26.043 -12.356 1.00 0.00 H new ATOM 0 HA LEU A 79 -34.273 27.928 -12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -32.728 27.265 -10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -31.469 28.189 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 79 -32.710 29.296 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -32.721 31.513 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -31.282 30.562 -10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -32.621 30.732 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -34.841 30.415 -9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -34.856 29.562 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -34.984 28.642 -9.945 1.00 0.00 H new ATOM 1282 N LEU A 80 -31.447 28.805 -13.841 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.878 29.761 -14.782 1.00 0.00 C ATOM 1284 C LEU A 80 -31.120 29.323 -16.221 1.00 0.00 C ATOM 1285 O LEU A 80 -30.261 28.711 -16.860 1.00 0.00 O ATOM 1286 CB LEU A 80 -29.382 29.947 -14.508 1.00 0.00 C ATOM 1287 CG LEU A 80 -29.064 30.839 -13.304 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.639 30.623 -12.827 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -29.267 32.296 -13.673 1.00 0.00 C ATOM 0 H LEU A 80 -30.778 28.133 -13.465 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.376 30.720 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.930 28.968 -14.349 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.913 30.374 -15.395 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.741 30.571 -12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.440 31.269 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.507 29.581 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.945 30.864 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -29.039 32.925 -12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.605 32.558 -14.499 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -30.303 32.454 -13.974 1.00 0.00 H new ATOM 1301 N GLU A 81 -32.316 29.606 -16.714 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.682 29.242 -18.073 1.00 0.00 C ATOM 1303 C GLU A 81 -31.823 29.992 -19.083 1.00 0.00 C ATOM 1304 O GLU A 81 -31.667 31.209 -19.008 1.00 0.00 O ATOM 1305 CB GLU A 81 -34.168 29.509 -18.334 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.623 30.923 -17.992 1.00 0.00 C ATOM 1307 CD GLU A 81 -36.004 31.234 -18.528 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -36.984 30.619 -18.059 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.113 32.081 -19.439 1.00 0.00 O ATOM 0 H GLU A 81 -33.049 30.087 -16.193 1.00 0.00 H new ATOM 0 HA GLU A 81 -32.502 28.173 -18.191 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.380 29.317 -19.386 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -34.759 28.800 -17.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -34.620 31.050 -16.909 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.909 31.639 -18.399 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.248 29.244 -20.011 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.430 29.841 -21.043 1.00 0.00 C ATOM 1318 C GLY A 82 -28.957 29.773 -20.719 1.00 0.00 C ATOM 1319 O GLY A 82 -28.122 30.049 -21.570 1.00 0.00 O ATOM 0 H GLY A 82 -31.334 28.229 -20.067 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.615 29.333 -21.989 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.722 30.882 -21.178 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.636 29.367 -19.501 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.250 29.293 -19.059 1.00 0.00 C ATOM 1325 C TYR A 83 -26.904 27.900 -18.544 1.00 0.00 C ATOM 1326 O TYR A 83 -27.791 27.118 -18.202 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.983 30.334 -17.965 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.819 31.747 -18.485 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.918 32.515 -18.849 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.556 32.310 -18.614 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.761 33.801 -19.330 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -25.394 33.593 -19.093 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.497 34.334 -19.450 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.335 35.608 -19.939 1.00 0.00 O ATOM 0 H TYR A 83 -29.318 29.083 -18.798 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.616 29.505 -19.920 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.806 30.314 -17.251 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -26.082 30.051 -17.421 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.911 32.100 -18.755 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.686 31.734 -18.335 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -28.625 34.385 -19.610 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.404 34.015 -19.188 1.00 0.00 H new ATOM 0 HH TYR A 83 -25.922 35.568 -20.827 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.612 27.583 -18.547 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.101 26.370 -17.914 1.00 0.00 C ATOM 1346 C HIS A 84 -23.946 26.725 -17.009 1.00 0.00 C ATOM 1347 O HIS A 84 -23.269 27.734 -17.221 1.00 0.00 O ATOM 1348 CB HIS A 84 -24.571 25.337 -18.917 1.00 0.00 C ATOM 1349 CG HIS A 84 -25.584 24.703 -19.804 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -25.512 23.392 -20.231 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -26.610 25.258 -20.468 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -26.470 23.212 -21.148 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.155 24.322 -21.323 1.00 0.00 N ATOM 0 H HIS A 84 -24.892 28.157 -18.986 1.00 0.00 H new ATOM 0 HA HIS A 84 -25.943 25.936 -17.374 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -23.822 25.821 -19.544 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.062 24.550 -18.361 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -24.849 22.688 -19.906 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -26.954 26.275 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -26.655 22.285 -21.671 1.00 0.00 H new ATOM 1361 N PRO A 85 -23.693 25.896 -16.008 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.522 26.036 -15.172 1.00 0.00 C ATOM 1363 C PRO A 85 -21.283 25.503 -15.885 1.00 0.00 C ATOM 1364 O PRO A 85 -21.385 24.639 -16.754 1.00 0.00 O ATOM 1365 CB PRO A 85 -22.858 25.202 -13.936 1.00 0.00 C ATOM 1366 CG PRO A 85 -23.888 24.210 -14.376 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.531 24.749 -15.628 1.00 0.00 C ATOM 0 HA PRO A 85 -22.294 27.073 -14.924 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -21.971 24.699 -13.552 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.241 25.832 -13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.429 23.240 -14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.634 24.061 -13.596 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.556 23.997 -16.417 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.562 25.054 -15.445 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.126 26.045 -15.558 1.00 0.00 N ATOM 1376 CA LYS A 86 -18.882 25.558 -16.116 1.00 0.00 C ATOM 1377 C LYS A 86 -17.785 25.657 -15.075 1.00 0.00 C ATOM 1378 O LYS A 86 -17.735 26.623 -14.315 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.483 26.356 -17.359 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.408 25.672 -18.183 1.00 0.00 C ATOM 1381 CD LYS A 86 -16.861 26.569 -19.282 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.055 27.727 -18.710 1.00 0.00 C ATOM 1383 NZ LYS A 86 -15.214 28.390 -19.744 1.00 0.00 N ATOM 0 H LYS A 86 -20.023 26.824 -14.908 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.023 24.518 -16.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.364 26.514 -17.981 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.128 27.340 -17.054 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.592 25.366 -17.528 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.817 24.765 -18.628 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.232 25.983 -19.952 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.686 26.959 -19.879 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.734 28.459 -18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.418 27.361 -17.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.683 29.172 -19.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.548 27.699 -20.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.823 28.763 -20.500 1.00 0.00 H new ATOM 1397 N LEU A 87 -16.915 24.661 -15.040 1.00 0.00 N ATOM 1398 CA LEU A 87 -15.811 24.660 -14.096 1.00 0.00 C ATOM 1399 C LEU A 87 -14.709 25.575 -14.603 1.00 0.00 C ATOM 1400 O LEU A 87 -14.436 25.620 -15.804 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.243 23.248 -13.882 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.219 22.173 -13.386 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.098 22.702 -12.264 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.055 21.630 -14.539 1.00 0.00 C ATOM 0 H LEU A 87 -16.952 23.846 -15.652 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.191 25.018 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.815 22.908 -14.825 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.423 23.317 -13.167 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.634 21.348 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.779 21.917 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.472 23.015 -11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -17.674 23.554 -12.624 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.740 20.869 -14.165 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -17.626 22.442 -14.989 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.398 21.189 -15.289 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.102 26.318 -13.697 1.00 0.00 N ATOM 1417 CA VAL A 88 -12.972 27.165 -14.033 1.00 0.00 C ATOM 1418 C VAL A 88 -11.853 26.957 -13.026 1.00 0.00 C ATOM 1419 O VAL A 88 -12.107 26.665 -11.857 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.349 28.666 -14.073 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.376 28.939 -15.157 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -13.869 29.133 -12.727 1.00 0.00 C ATOM 0 H VAL A 88 -14.375 26.352 -12.715 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.643 26.878 -15.032 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.444 29.228 -14.305 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.624 30.000 -15.164 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.966 28.655 -16.126 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.277 28.357 -14.960 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.126 30.191 -12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -14.755 28.558 -12.460 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.100 28.987 -11.969 1.00 0.00 H new ATOM 1432 N VAL A 89 -10.619 27.086 -13.473 1.00 0.00 N ATOM 1433 CA VAL A 89 -9.489 26.947 -12.578 1.00 0.00 C ATOM 1434 C VAL A 89 -8.995 28.320 -12.132 1.00 0.00 C ATOM 1435 O VAL A 89 -8.530 29.126 -12.936 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.337 26.128 -13.216 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -7.895 26.725 -14.546 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.163 26.019 -12.251 1.00 0.00 C ATOM 0 H VAL A 89 -10.375 27.285 -14.443 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.829 26.392 -11.703 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.713 25.125 -13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.087 26.125 -14.963 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.736 26.733 -15.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.545 27.745 -14.389 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.363 25.441 -12.715 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.797 27.017 -12.010 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.488 25.521 -11.338 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.133 28.592 -10.848 1.00 0.00 N ATOM 1449 CA ASN A 90 -8.679 29.849 -10.284 1.00 0.00 C ATOM 1450 C ASN A 90 -7.591 29.583 -9.261 1.00 0.00 C ATOM 1451 O ASN A 90 -7.874 29.244 -8.108 1.00 0.00 O ATOM 1452 CB ASN A 90 -9.844 30.623 -9.654 1.00 0.00 C ATOM 1453 CG ASN A 90 -10.797 31.185 -10.693 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -10.395 31.509 -11.811 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.065 31.317 -10.332 1.00 0.00 N ATOM 0 H ASN A 90 -9.558 27.956 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.271 30.466 -11.084 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.393 29.964 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.449 31.439 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -12.745 31.698 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.361 31.037 -9.397 1.00 0.00 H new ATOM 1462 N GLY A 91 -6.347 29.698 -9.708 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.216 29.437 -8.845 1.00 0.00 C ATOM 1464 C GLY A 91 -5.101 27.971 -8.486 1.00 0.00 C ATOM 1465 O GLY A 91 -4.742 27.147 -9.324 1.00 0.00 O ATOM 0 H GLY A 91 -6.102 29.970 -10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.301 29.762 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.312 30.027 -7.933 1.00 0.00 H new ATOM 1469 N ARG A 92 -5.422 27.645 -7.245 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.360 26.271 -6.768 1.00 0.00 C ATOM 1471 C ARG A 92 -6.744 25.783 -6.370 1.00 0.00 C ATOM 1472 O ARG A 92 -6.889 24.812 -5.628 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.392 26.164 -5.589 1.00 0.00 C ATOM 1474 CG ARG A 92 -2.931 26.261 -5.999 1.00 0.00 C ATOM 1475 CD ARG A 92 -2.485 25.020 -6.758 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.494 23.830 -5.903 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.394 22.580 -6.353 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -2.316 22.339 -7.656 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -2.377 21.570 -5.491 1.00 0.00 N ATOM 0 H ARG A 92 -5.731 28.318 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.994 25.638 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.614 26.955 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.556 25.215 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.784 27.143 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.310 26.390 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.143 24.860 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.481 25.176 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.583 23.968 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.332 23.113 -8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.240 21.379 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.440 21.753 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.301 20.611 -5.830 1.00 0.00 H new ATOM 1493 N SER A 93 -7.761 26.465 -6.865 1.00 0.00 N ATOM 1494 CA SER A 93 -9.131 26.091 -6.568 1.00 0.00 C ATOM 1495 C SER A 93 -9.996 26.121 -7.823 1.00 0.00 C ATOM 1496 O SER A 93 -9.837 26.990 -8.681 1.00 0.00 O ATOM 1497 CB SER A 93 -9.708 27.011 -5.493 1.00 0.00 C ATOM 1498 OG SER A 93 -9.420 28.379 -5.760 1.00 0.00 O ATOM 0 H SER A 93 -7.664 27.278 -7.473 1.00 0.00 H new ATOM 0 HA SER A 93 -9.130 25.068 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.787 26.871 -5.436 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.299 26.736 -4.521 1.00 0.00 H new ATOM 0 HG SER A 93 -9.038 28.464 -6.659 1.00 0.00 H new ATOM 1504 N ILE A 94 -10.903 25.159 -7.926 1.00 0.00 N ATOM 1505 CA ILE A 94 -11.814 25.084 -9.056 1.00 0.00 C ATOM 1506 C ILE A 94 -13.149 25.732 -8.698 1.00 0.00 C ATOM 1507 O ILE A 94 -13.714 25.468 -7.632 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.025 23.615 -9.494 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.665 22.972 -9.796 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -12.937 23.539 -10.712 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.721 21.482 -10.066 1.00 0.00 C ATOM 0 H ILE A 94 -11.026 24.418 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.373 25.627 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.507 23.069 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.226 23.469 -10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.997 23.151 -8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.071 22.497 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.906 23.975 -10.469 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.488 24.090 -11.538 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.716 21.111 -10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.127 20.969 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.360 21.292 -10.929 1.00 0.00 H new ATOM 1523 N ASP A 95 -13.634 26.594 -9.582 1.00 0.00 N ATOM 1524 CA ASP A 95 -14.852 27.358 -9.335 1.00 0.00 C ATOM 1525 C ASP A 95 -15.884 27.041 -10.414 1.00 0.00 C ATOM 1526 O ASP A 95 -15.603 26.275 -11.338 1.00 0.00 O ATOM 1527 CB ASP A 95 -14.542 28.862 -9.320 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.514 29.658 -8.470 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -16.653 29.900 -8.917 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.139 30.063 -7.349 1.00 0.00 O ATOM 0 H ASP A 95 -13.199 26.783 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.257 27.080 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.530 29.015 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.565 29.242 -10.341 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.067 27.632 -10.307 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.152 27.344 -11.236 1.00 0.00 C ATOM 1537 C ILE A 96 -18.801 28.633 -11.733 1.00 0.00 C ATOM 1538 O ILE A 96 -19.413 29.373 -10.958 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.237 26.457 -10.581 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -18.621 25.163 -10.048 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.346 26.147 -11.579 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -19.586 24.315 -9.249 1.00 0.00 C ATOM 0 H ILE A 96 -17.300 28.314 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.715 26.807 -12.078 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.669 27.004 -9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.245 24.577 -10.887 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.764 25.410 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.101 25.522 -11.102 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -20.804 27.077 -11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.927 25.619 -12.436 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.079 23.414 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -19.943 24.882 -8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.432 24.037 -9.877 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.668 28.901 -13.023 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.292 30.071 -13.626 1.00 0.00 C ATOM 1556 C GLU A 97 -20.534 29.647 -14.403 1.00 0.00 C ATOM 1557 O GLU A 97 -20.897 28.471 -14.404 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.321 30.792 -14.565 1.00 0.00 C ATOM 1559 CG GLU A 97 -18.006 30.019 -15.839 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.368 30.890 -16.901 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -17.998 31.892 -17.308 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.249 30.575 -17.347 1.00 0.00 O ATOM 0 H GLU A 97 -18.134 28.325 -13.673 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.572 30.758 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.743 31.760 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.391 30.987 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.338 29.191 -15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.925 29.584 -16.233 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.179 30.600 -15.061 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.322 30.301 -15.912 1.00 0.00 C ATOM 1571 C TYR A 98 -22.156 30.951 -17.280 1.00 0.00 C ATOM 1572 O TYR A 98 -21.971 32.163 -17.390 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.628 30.769 -15.259 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.407 29.663 -14.575 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.084 29.248 -13.289 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.474 29.037 -15.217 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.799 28.241 -12.661 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.190 28.031 -14.596 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.851 27.635 -13.320 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.570 26.637 -12.700 1.00 0.00 O ATOM 0 H TYR A 98 -20.930 31.588 -15.022 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.371 29.220 -16.042 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.399 31.544 -14.527 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.259 31.226 -16.021 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.262 29.718 -12.770 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.746 29.343 -16.216 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.535 27.931 -11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.013 27.556 -15.109 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.275 26.320 -13.302 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.213 30.136 -18.318 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.145 30.621 -19.686 1.00 0.00 C ATOM 1592 C TYR A 99 -23.489 30.382 -20.353 1.00 0.00 C ATOM 1593 O TYR A 99 -24.204 29.453 -19.978 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.031 29.912 -20.466 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.257 28.425 -20.648 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.994 27.942 -21.724 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -20.744 27.505 -19.742 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.215 26.591 -21.889 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -20.959 26.150 -19.903 1.00 0.00 C ATOM 1600 CZ TYR A 99 -21.699 25.699 -20.977 1.00 0.00 C ATOM 1601 OH TYR A 99 -21.920 24.351 -21.140 1.00 0.00 O ATOM 0 H TYR A 99 -22.307 29.124 -18.238 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.916 31.687 -19.679 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.935 30.377 -21.447 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.085 30.065 -19.947 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.401 28.638 -22.443 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.168 27.855 -18.898 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -22.791 26.234 -22.730 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -20.550 25.447 -19.192 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.488 23.858 -20.412 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.846 31.199 -21.327 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.137 31.036 -21.967 1.00 0.00 C ATOM 1613 C GLU A 100 -25.082 29.994 -23.074 1.00 0.00 C ATOM 1614 O GLU A 100 -24.156 29.958 -23.884 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.706 32.369 -22.462 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.716 33.276 -23.167 1.00 0.00 C ATOM 1617 CD GLU A 100 -25.299 34.656 -23.394 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -25.142 35.526 -22.512 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -25.945 34.872 -24.442 1.00 0.00 O ATOM 0 H GLU A 100 -23.275 31.965 -21.685 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.827 30.666 -21.209 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -26.532 32.162 -23.143 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.122 32.906 -21.610 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -23.806 33.357 -22.572 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.434 32.836 -24.124 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.079 29.121 -23.037 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.237 28.009 -23.972 1.00 0.00 C ATOM 1628 C CYS A 101 -26.040 28.453 -25.420 1.00 0.00 C ATOM 1629 O CYS A 101 -26.753 29.327 -25.903 1.00 0.00 O ATOM 1630 CB CYS A 101 -27.650 27.446 -23.806 1.00 0.00 C ATOM 1631 SG CYS A 101 -27.901 25.756 -24.429 1.00 0.00 S ATOM 0 H CYS A 101 -26.821 29.165 -22.339 1.00 0.00 H new ATOM 0 HA CYS A 101 -25.481 27.256 -23.752 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -27.907 27.466 -22.747 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.348 28.109 -24.316 1.00 0.00 H new ATOM 0 HG CYS A 101 -27.689 24.904 -23.470 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.099 27.821 -26.143 1.00 0.00 N ATOM 1637 CA PRO A 102 -24.830 28.140 -27.554 1.00 0.00 C ATOM 1638 C PRO A 102 -25.995 27.768 -28.468 1.00 0.00 C ATOM 1639 O PRO A 102 -26.032 28.146 -29.634 1.00 0.00 O ATOM 1640 CB PRO A 102 -23.595 27.295 -27.887 1.00 0.00 C ATOM 1641 CG PRO A 102 -23.610 26.186 -26.894 1.00 0.00 C ATOM 1642 CD PRO A 102 -24.201 26.764 -25.641 1.00 0.00 C ATOM 0 HA PRO A 102 -24.682 29.209 -27.705 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -23.641 26.913 -28.907 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -22.681 27.883 -27.808 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -24.204 25.346 -27.255 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -22.603 25.810 -26.713 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -24.745 26.012 -25.070 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -23.432 27.169 -24.984 1.00 0.00 H new ATOM 1650 N VAL A 103 -26.953 27.031 -27.923 1.00 0.00 N ATOM 1651 CA VAL A 103 -28.132 26.614 -28.673 1.00 0.00 C ATOM 1652 C VAL A 103 -29.034 27.813 -28.986 1.00 0.00 C ATOM 1653 O VAL A 103 -29.838 27.772 -29.920 1.00 0.00 O ATOM 1654 CB VAL A 103 -28.926 25.538 -27.894 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.146 25.075 -28.674 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -28.030 24.354 -27.567 1.00 0.00 C ATOM 0 H VAL A 103 -26.937 26.707 -26.956 1.00 0.00 H new ATOM 0 HA VAL A 103 -27.793 26.182 -29.615 1.00 0.00 H new ATOM 0 HB VAL A 103 -29.274 25.988 -26.964 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -30.681 24.320 -28.098 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.804 25.924 -28.858 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -29.829 24.649 -29.626 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -28.602 23.605 -27.019 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -27.652 23.917 -28.492 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -27.192 24.690 -26.956 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.876 28.893 -28.225 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.687 30.091 -28.435 1.00 0.00 C ATOM 1668 C LYS A 104 -29.336 30.754 -29.767 1.00 0.00 C ATOM 1669 O LYS A 104 -30.149 31.476 -30.341 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.507 31.087 -27.284 1.00 0.00 C ATOM 1671 CG LYS A 104 -28.105 31.666 -27.184 1.00 0.00 C ATOM 1672 CD LYS A 104 -27.935 32.539 -25.949 1.00 0.00 C ATOM 1673 CE LYS A 104 -28.780 33.801 -26.020 1.00 0.00 C ATOM 1674 NZ LYS A 104 -28.616 34.639 -24.804 1.00 0.00 N ATOM 0 H LYS A 104 -28.201 28.964 -27.464 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.733 29.785 -28.462 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -30.219 31.903 -27.408 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -29.752 30.590 -26.345 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -27.379 30.854 -27.157 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -27.891 32.255 -28.076 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -28.210 31.969 -25.062 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -26.885 32.812 -25.840 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -28.499 34.378 -26.901 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.829 33.531 -26.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -28.817 35.632 -25.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -29.276 34.316 -24.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -27.640 34.556 -24.454 1.00 0.00 H new