USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -156:sc= 1.09 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.619 X(o=0.47,f=0.71) USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= -0.17 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 164:sc= 0.352 (180deg=0) USER MOD Set 3.2: A 35 THR OG1 : rot 178:sc= 0.324 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 145:sc= -3.88! (180deg=-7.29!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.165) USER MOD Single : A 27 ASN : amide:sc= -1.83 K(o=-1.8,f=-1.3!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 28:sc= -0.233 USER MOD Single : A 42 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.31) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.708 K(o=-0.71,f=-1.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -105:sc= 1.33 USER MOD Single : A 63 SER OG : rot -119:sc= -0.662 USER MOD Single : A 67 HIS : no HD1:sc= -3.45 X(o=-3.4,f=-3.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.022 0.743 -1.038 1.00 0.00 N ATOM 158 CA PHE A 14 13.815 -0.075 -0.988 1.00 0.00 C ATOM 159 C PHE A 14 14.158 -1.534 -0.706 1.00 0.00 C ATOM 160 O PHE A 14 15.295 -1.963 -0.897 1.00 0.00 O ATOM 161 CB PHE A 14 13.046 0.034 -2.307 1.00 0.00 C ATOM 162 CG PHE A 14 12.297 1.327 -2.459 1.00 0.00 C ATOM 163 CD1 PHE A 14 12.976 2.534 -2.516 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.914 1.337 -2.545 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.291 3.726 -2.656 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.223 2.525 -2.686 1.00 0.00 C ATOM 167 CZ PHE A 14 10.912 3.721 -2.741 1.00 0.00 C ATOM 0 HA PHE A 14 13.188 0.295 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.746 -0.071 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.342 -0.795 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.054 2.543 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.370 0.405 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.832 4.659 -2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.145 2.519 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.374 4.651 -2.850 1.00 0.00 H new ATOM 177 N GLN A 15 13.165 -2.291 -0.248 1.00 0.00 N ATOM 178 CA GLN A 15 13.362 -3.702 0.062 1.00 0.00 C ATOM 179 C GLN A 15 12.290 -4.560 -0.602 1.00 0.00 C ATOM 180 O GLN A 15 11.304 -4.044 -1.128 1.00 0.00 O ATOM 181 CB GLN A 15 13.341 -3.920 1.576 1.00 0.00 C ATOM 182 CG GLN A 15 14.347 -3.065 2.328 1.00 0.00 C ATOM 183 CD GLN A 15 14.562 -3.533 3.754 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.939 -3.026 4.687 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.448 -4.507 3.930 1.00 0.00 N ATOM 0 H GLN A 15 12.218 -1.951 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 15 14.335 -4.002 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.341 -3.704 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.541 -4.971 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.299 -3.080 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.004 -2.031 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.942 -4.898 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.634 -4.864 4.867 1.00 0.00 H new ATOM 194 N LYS A 16 12.490 -5.873 -0.575 1.00 0.00 N ATOM 195 CA LYS A 16 11.541 -6.805 -1.173 1.00 0.00 C ATOM 196 C LYS A 16 10.595 -7.370 -0.119 1.00 0.00 C ATOM 197 O LYS A 16 10.911 -7.384 1.071 1.00 0.00 O ATOM 198 CB LYS A 16 12.285 -7.946 -1.870 1.00 0.00 C ATOM 199 CG LYS A 16 12.790 -7.585 -3.256 1.00 0.00 C ATOM 200 CD LYS A 16 13.991 -8.429 -3.649 1.00 0.00 C ATOM 201 CE LYS A 16 15.251 -7.976 -2.927 1.00 0.00 C ATOM 202 NZ LYS A 16 16.212 -9.097 -2.733 1.00 0.00 N ATOM 0 H LYS A 16 13.302 -6.316 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 16 10.951 -6.260 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.130 -8.249 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.622 -8.808 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.991 -7.726 -3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.062 -6.530 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.793 -9.475 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.145 -8.365 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.731 -7.181 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.983 -7.555 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.057 -8.748 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.763 -9.845 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.488 -9.482 -3.659 1.00 0.00 H new ATOM 216 N LYS A 17 9.432 -7.837 -0.562 1.00 0.00 N ATOM 217 CA LYS A 17 8.441 -8.406 0.342 1.00 0.00 C ATOM 218 C LYS A 17 7.912 -7.349 1.306 1.00 0.00 C ATOM 219 O LYS A 17 7.487 -7.665 2.417 1.00 0.00 O ATOM 220 CB LYS A 17 9.046 -9.571 1.128 1.00 0.00 C ATOM 221 CG LYS A 17 9.846 -10.535 0.268 1.00 0.00 C ATOM 222 CD LYS A 17 10.192 -11.805 1.028 1.00 0.00 C ATOM 223 CE LYS A 17 11.495 -11.656 1.798 1.00 0.00 C ATOM 224 NZ LYS A 17 11.755 -12.828 2.680 1.00 0.00 N ATOM 0 H LYS A 17 9.153 -7.832 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 17 7.609 -8.774 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.692 -9.174 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.245 -10.119 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.274 -10.788 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.762 -10.050 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.385 -12.048 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.274 -12.638 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.321 -11.540 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.459 -10.749 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.652 -12.688 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.980 -12.924 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.815 -13.691 2.102 1.00 0.00 H new ATOM 238 N MET A 18 7.941 -6.092 0.873 1.00 0.00 N ATOM 239 CA MET A 18 7.463 -4.989 1.698 1.00 0.00 C ATOM 240 C MET A 18 6.253 -4.317 1.057 1.00 0.00 C ATOM 241 O MET A 18 5.767 -4.753 0.013 1.00 0.00 O ATOM 242 CB MET A 18 8.577 -3.963 1.911 1.00 0.00 C ATOM 243 CG MET A 18 8.682 -2.938 0.794 1.00 0.00 C ATOM 244 SD MET A 18 9.887 -1.644 1.149 1.00 0.00 S ATOM 245 CE MET A 18 9.781 -0.664 -0.346 1.00 0.00 C ATOM 0 H MET A 18 8.290 -5.813 -0.044 1.00 0.00 H new ATOM 0 HA MET A 18 7.163 -5.394 2.664 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.406 -3.444 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.529 -4.486 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.959 -3.442 -0.132 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.705 -2.484 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.918 0.389 -0.101 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.558 -0.978 -1.043 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.803 -0.806 -0.805 1.00 0.00 H new ATOM 255 N LYS A 19 5.769 -3.252 1.688 1.00 0.00 N ATOM 256 CA LYS A 19 4.617 -2.518 1.180 1.00 0.00 C ATOM 257 C LYS A 19 4.980 -1.065 0.895 1.00 0.00 C ATOM 258 O LYS A 19 5.882 -0.505 1.520 1.00 0.00 O ATOM 259 CB LYS A 19 3.464 -2.579 2.185 1.00 0.00 C ATOM 260 CG LYS A 19 2.817 -3.950 2.285 1.00 0.00 C ATOM 261 CD LYS A 19 2.139 -4.343 0.983 1.00 0.00 C ATOM 262 CE LYS A 19 1.474 -5.706 1.091 1.00 0.00 C ATOM 263 NZ LYS A 19 2.459 -6.816 0.968 1.00 0.00 N ATOM 0 H LYS A 19 6.158 -2.878 2.554 1.00 0.00 H new ATOM 0 HA LYS A 19 4.303 -2.985 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.834 -2.288 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.706 -1.849 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.573 -4.692 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.084 -3.950 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.393 -3.593 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.874 -4.358 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.958 -5.783 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.718 -5.804 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.031 -7.700 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.733 -6.928 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.302 -6.597 1.536 1.00 0.00 H new ATOM 277 N LEU A 20 4.272 -0.458 -0.052 1.00 0.00 N ATOM 278 CA LEU A 20 4.519 0.933 -0.419 1.00 0.00 C ATOM 279 C LEU A 20 3.392 1.474 -1.292 1.00 0.00 C ATOM 280 O LEU A 20 2.842 0.756 -2.127 1.00 0.00 O ATOM 281 CB LEU A 20 5.854 1.057 -1.155 1.00 0.00 C ATOM 282 CG LEU A 20 5.793 0.944 -2.679 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.590 2.314 -3.307 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.058 0.291 -3.216 1.00 0.00 C ATOM 0 H LEU A 20 3.523 -0.907 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 20 4.560 1.523 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.299 2.019 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.526 0.285 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 20 4.943 0.315 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.549 2.215 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.656 2.745 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.420 2.966 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.997 0.219 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.924 0.893 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.161 -0.707 -2.791 1.00 0.00 H new ATOM 296 N GLU A 21 3.054 2.744 -1.093 1.00 0.00 N ATOM 297 CA GLU A 21 1.993 3.381 -1.864 1.00 0.00 C ATOM 298 C GLU A 21 2.516 3.865 -3.214 1.00 0.00 C ATOM 299 O GLU A 21 3.378 4.741 -3.280 1.00 0.00 O ATOM 300 CB GLU A 21 1.400 4.556 -1.083 1.00 0.00 C ATOM 301 CG GLU A 21 0.703 4.143 0.202 1.00 0.00 C ATOM 302 CD GLU A 21 -0.111 5.268 0.812 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.438 6.227 0.082 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.420 5.189 2.019 1.00 0.00 O ATOM 0 H GLU A 21 3.499 3.352 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 21 1.213 2.641 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.196 5.261 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.688 5.082 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.049 3.295 -0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.448 3.806 0.923 1.00 0.00 H new ATOM 311 N VAL A 22 1.988 3.287 -4.288 1.00 0.00 N ATOM 312 CA VAL A 22 2.400 3.658 -5.636 1.00 0.00 C ATOM 313 C VAL A 22 1.295 4.423 -6.357 1.00 0.00 C ATOM 314 O VAL A 22 0.114 4.104 -6.222 1.00 0.00 O ATOM 315 CB VAL A 22 2.779 2.419 -6.469 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.272 2.832 -7.847 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.830 1.592 -5.744 1.00 0.00 C ATOM 0 H VAL A 22 1.274 2.560 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 22 3.276 4.299 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 22 1.889 1.803 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.535 1.943 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.485 3.379 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.150 3.470 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.086 0.720 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.722 2.197 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.436 1.265 -4.782 1.00 0.00 H new ATOM 327 N VAL A 23 1.688 5.434 -7.126 1.00 0.00 N ATOM 328 CA VAL A 23 0.731 6.244 -7.870 1.00 0.00 C ATOM 329 C VAL A 23 0.411 5.613 -9.221 1.00 0.00 C ATOM 330 O VAL A 23 1.291 5.453 -10.067 1.00 0.00 O ATOM 331 CB VAL A 23 1.261 7.673 -8.096 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.337 8.445 -9.026 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.422 8.397 -6.768 1.00 0.00 C ATOM 0 H VAL A 23 2.662 5.711 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.178 6.292 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 23 2.241 7.608 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.728 9.452 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.278 7.934 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.658 8.503 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.797 9.405 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.457 8.453 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.128 7.853 -6.140 1.00 0.00 H new ATOM 343 N ASP A 24 -0.854 5.257 -9.416 1.00 0.00 N ATOM 344 CA ASP A 24 -1.292 4.645 -10.665 1.00 0.00 C ATOM 345 C ASP A 24 -0.849 5.478 -11.863 1.00 0.00 C ATOM 346 O ASP A 24 -1.352 6.579 -12.088 1.00 0.00 O ATOM 347 CB ASP A 24 -2.813 4.485 -10.673 1.00 0.00 C ATOM 348 CG ASP A 24 -3.269 3.336 -11.551 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.516 2.348 -11.676 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.381 3.425 -12.113 1.00 0.00 O ATOM 0 H ASP A 24 -1.594 5.382 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.831 3.660 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.164 4.321 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.271 5.410 -11.023 1.00 0.00 H new ATOM 355 N LYS A 25 0.097 4.946 -12.630 1.00 0.00 N ATOM 356 CA LYS A 25 0.609 5.639 -13.806 1.00 0.00 C ATOM 357 C LYS A 25 -0.531 6.239 -14.623 1.00 0.00 C ATOM 358 O LYS A 25 -0.573 7.448 -14.853 1.00 0.00 O ATOM 359 CB LYS A 25 1.423 4.679 -14.676 1.00 0.00 C ATOM 360 CG LYS A 25 2.220 3.662 -13.877 1.00 0.00 C ATOM 361 CD LYS A 25 2.979 4.320 -12.737 1.00 0.00 C ATOM 362 CE LYS A 25 4.214 5.051 -13.238 1.00 0.00 C ATOM 363 NZ LYS A 25 4.637 6.131 -12.304 1.00 0.00 N ATOM 0 H LYS A 25 0.525 4.036 -12.458 1.00 0.00 H new ATOM 0 HA LYS A 25 1.255 6.448 -13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.748 4.151 -15.350 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.107 5.257 -15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.547 2.904 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.922 3.150 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.324 5.022 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.273 3.563 -12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.030 4.340 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.009 5.479 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.585 6.468 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.962 6.920 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.661 5.760 -11.333 1.00 0.00 H new ATOM 377 N ARG A 26 -1.454 5.387 -15.058 1.00 0.00 N ATOM 378 CA ARG A 26 -2.594 5.834 -15.849 1.00 0.00 C ATOM 379 C ARG A 26 -3.411 6.873 -15.087 1.00 0.00 C ATOM 380 O ARG A 26 -4.043 7.742 -15.686 1.00 0.00 O ATOM 381 CB ARG A 26 -3.481 4.645 -16.221 1.00 0.00 C ATOM 382 CG ARG A 26 -3.574 3.589 -15.131 1.00 0.00 C ATOM 383 CD ARG A 26 -2.556 2.479 -15.343 1.00 0.00 C ATOM 384 NE ARG A 26 -3.105 1.376 -16.128 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.393 0.325 -16.518 1.00 0.00 C ATOM 386 NH1 ARG A 26 -1.109 0.235 -16.197 1.00 0.00 N ATOM 387 NH2 ARG A 26 -2.964 -0.638 -17.230 1.00 0.00 N ATOM 0 H ARG A 26 -1.434 4.384 -14.876 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.213 6.294 -16.761 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.483 5.008 -16.450 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.094 4.184 -17.130 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.411 4.053 -14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.578 3.166 -15.118 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.679 2.883 -15.849 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.221 2.104 -14.376 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.090 1.415 -16.391 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.667 0.974 -15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.564 -0.573 -16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.951 -0.572 -17.479 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.416 -1.445 -17.529 1.00 0.00 H new ATOM 401 N ASN A 27 -3.392 6.776 -13.761 1.00 0.00 N ATOM 402 CA ASN A 27 -4.132 7.707 -12.917 1.00 0.00 C ATOM 403 C ASN A 27 -3.235 8.282 -11.825 1.00 0.00 C ATOM 404 O ASN A 27 -3.074 7.703 -10.750 1.00 0.00 O ATOM 405 CB ASN A 27 -5.338 7.007 -12.286 1.00 0.00 C ATOM 406 CG ASN A 27 -5.999 6.027 -13.235 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.141 4.844 -12.924 1.00 0.00 O ATOM 408 ND2 ASN A 27 -6.408 6.516 -14.400 1.00 0.00 N ATOM 0 H ASN A 27 -2.873 6.063 -13.249 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.483 8.527 -13.544 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.019 6.479 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.067 7.755 -11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.861 5.904 -15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.270 7.503 -14.616 1.00 0.00 H new ATOM 415 N PRO A 28 -2.636 9.449 -12.105 1.00 0.00 N ATOM 416 CA PRO A 28 -1.745 10.128 -11.159 1.00 0.00 C ATOM 417 C PRO A 28 -2.497 10.691 -9.957 1.00 0.00 C ATOM 418 O PRO A 28 -1.888 11.186 -9.009 1.00 0.00 O ATOM 419 CB PRO A 28 -1.143 11.263 -11.992 1.00 0.00 C ATOM 420 CG PRO A 28 -2.149 11.524 -13.060 1.00 0.00 C ATOM 421 CD PRO A 28 -2.782 10.195 -13.366 1.00 0.00 C ATOM 0 HA PRO A 28 -1.003 9.449 -10.738 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.971 12.152 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.181 10.976 -12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.896 12.244 -12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.676 11.945 -13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.829 10.304 -13.649 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.279 9.691 -14.192 1.00 0.00 H new ATOM 429 N MET A 29 -3.823 10.610 -10.004 1.00 0.00 N ATOM 430 CA MET A 29 -4.656 11.110 -8.917 1.00 0.00 C ATOM 431 C MET A 29 -5.189 9.960 -8.067 1.00 0.00 C ATOM 432 O MET A 29 -6.077 10.149 -7.235 1.00 0.00 O ATOM 433 CB MET A 29 -5.821 11.930 -9.474 1.00 0.00 C ATOM 434 CG MET A 29 -5.397 13.265 -10.065 1.00 0.00 C ATOM 435 SD MET A 29 -4.436 14.261 -8.910 1.00 0.00 S ATOM 436 CE MET A 29 -3.008 14.661 -9.914 1.00 0.00 C ATOM 0 H MET A 29 -4.343 10.204 -10.782 1.00 0.00 H new ATOM 0 HA MET A 29 -4.040 11.750 -8.286 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.330 11.347 -10.242 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.543 12.108 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.808 13.089 -10.965 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.284 13.822 -10.369 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.318 15.276 -9.336 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.507 13.741 -10.217 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.328 15.209 -10.800 1.00 0.00 H new ATOM 446 N PHE A 30 -4.643 8.768 -8.283 1.00 0.00 N ATOM 447 CA PHE A 30 -5.065 7.588 -7.539 1.00 0.00 C ATOM 448 C PHE A 30 -3.858 6.815 -7.015 1.00 0.00 C ATOM 449 O PHE A 30 -2.894 6.580 -7.745 1.00 0.00 O ATOM 450 CB PHE A 30 -5.922 6.680 -8.423 1.00 0.00 C ATOM 451 CG PHE A 30 -7.232 7.295 -8.822 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.268 8.398 -9.661 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.428 6.770 -8.360 1.00 0.00 C ATOM 454 CE1 PHE A 30 -8.473 8.966 -10.029 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.636 7.335 -8.725 1.00 0.00 C ATOM 456 CZ PHE A 30 -9.659 8.433 -9.561 1.00 0.00 C ATOM 0 H PHE A 30 -3.907 8.594 -8.968 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.659 7.920 -6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.360 6.426 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.114 5.747 -7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.344 8.818 -10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.417 5.910 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.488 9.826 -10.682 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.561 6.917 -8.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.602 8.875 -9.849 1.00 0.00 H new ATOM 466 N ILE A 31 -3.918 6.423 -5.747 1.00 0.00 N ATOM 467 CA ILE A 31 -2.831 5.676 -5.126 1.00 0.00 C ATOM 468 C ILE A 31 -3.351 4.418 -4.439 1.00 0.00 C ATOM 469 O ILE A 31 -4.438 4.418 -3.862 1.00 0.00 O ATOM 470 CB ILE A 31 -2.074 6.536 -4.096 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.473 7.770 -4.772 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.988 5.715 -3.417 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.297 8.946 -3.837 1.00 0.00 C ATOM 0 H ILE A 31 -4.708 6.610 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.145 5.393 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.779 6.870 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.505 7.506 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.114 8.068 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.462 6.336 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.440 4.865 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.283 5.355 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.866 9.785 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.266 9.237 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.631 8.665 -3.021 1.00 0.00 H new ATOM 485 N ARG A 32 -2.565 3.348 -4.502 1.00 0.00 N ATOM 486 CA ARG A 32 -2.945 2.084 -3.885 1.00 0.00 C ATOM 487 C ARG A 32 -1.725 1.373 -3.304 1.00 0.00 C ATOM 488 O ARG A 32 -0.586 1.752 -3.577 1.00 0.00 O ATOM 489 CB ARG A 32 -3.636 1.180 -4.907 1.00 0.00 C ATOM 490 CG ARG A 32 -4.864 1.809 -5.544 1.00 0.00 C ATOM 491 CD ARG A 32 -5.152 1.209 -6.912 1.00 0.00 C ATOM 492 NE ARG A 32 -6.348 1.784 -7.521 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.583 1.505 -7.121 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.784 0.664 -6.115 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.621 2.069 -7.726 1.00 0.00 N ATOM 0 H ARG A 32 -1.661 3.332 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.639 2.300 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.924 0.920 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.926 0.250 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.727 1.665 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.714 2.884 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.297 1.374 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.277 0.130 -6.816 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.228 2.436 -8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.989 0.230 -5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.734 0.452 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.470 2.717 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.569 1.854 -7.418 1.00 0.00 H new ATOM 509 N VAL A 33 -1.973 0.343 -2.502 1.00 0.00 N ATOM 510 CA VAL A 33 -0.896 -0.421 -1.884 1.00 0.00 C ATOM 511 C VAL A 33 -0.116 -1.214 -2.926 1.00 0.00 C ATOM 512 O VAL A 33 -0.654 -1.588 -3.967 1.00 0.00 O ATOM 513 CB VAL A 33 -1.437 -1.390 -0.816 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.322 -2.280 -0.289 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.096 -0.619 0.318 1.00 0.00 C ATOM 0 H VAL A 33 -2.910 0.018 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.231 0.299 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.191 -2.028 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.723 -2.958 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.100 -2.859 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.457 -1.662 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.473 -1.319 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.365 0.044 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.923 -0.029 -0.076 1.00 0.00 H new ATOM 525 N ALA A 34 1.157 -1.468 -2.638 1.00 0.00 N ATOM 526 CA ALA A 34 2.011 -2.219 -3.549 1.00 0.00 C ATOM 527 C ALA A 34 2.925 -3.171 -2.785 1.00 0.00 C ATOM 528 O ALA A 34 3.069 -3.067 -1.567 1.00 0.00 O ATOM 529 CB ALA A 34 2.833 -1.268 -4.406 1.00 0.00 C ATOM 0 H ALA A 34 1.619 -1.164 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 34 1.371 -2.815 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.466 -1.843 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.165 -0.632 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.457 -0.647 -3.764 1.00 0.00 H new ATOM 535 N THR A 35 3.541 -4.101 -3.509 1.00 0.00 N ATOM 536 CA THR A 35 4.440 -5.072 -2.899 1.00 0.00 C ATOM 537 C THR A 35 5.713 -5.236 -3.722 1.00 0.00 C ATOM 538 O THR A 35 5.677 -5.735 -4.847 1.00 0.00 O ATOM 539 CB THR A 35 3.761 -6.447 -2.746 1.00 0.00 C ATOM 540 OG1 THR A 35 2.544 -6.311 -2.004 1.00 0.00 O ATOM 541 CG2 THR A 35 4.683 -7.430 -2.042 1.00 0.00 C ATOM 0 H THR A 35 3.433 -4.202 -4.518 1.00 0.00 H new ATOM 0 HA THR A 35 4.696 -4.689 -1.911 1.00 0.00 H new ATOM 0 HB THR A 35 3.539 -6.832 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.101 -7.183 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.182 -8.393 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.597 -7.553 -2.624 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.932 -7.050 -1.051 1.00 0.00 H new ATOM 549 N VAL A 36 6.838 -4.814 -3.154 1.00 0.00 N ATOM 550 CA VAL A 36 8.123 -4.916 -3.835 1.00 0.00 C ATOM 551 C VAL A 36 8.512 -6.373 -4.060 1.00 0.00 C ATOM 552 O VAL A 36 8.949 -7.059 -3.137 1.00 0.00 O ATOM 553 CB VAL A 36 9.238 -4.216 -3.036 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.522 -4.157 -3.850 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.798 -2.821 -2.616 1.00 0.00 C ATOM 0 H VAL A 36 6.886 -4.398 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 36 8.011 -4.420 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 36 9.434 -4.796 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.298 -3.659 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.845 -5.169 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.344 -3.601 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.598 -2.341 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.573 -2.228 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.907 -2.893 -1.992 1.00 0.00 H new ATOM 565 N ALA A 37 8.350 -6.838 -5.294 1.00 0.00 N ATOM 566 CA ALA A 37 8.686 -8.213 -5.642 1.00 0.00 C ATOM 567 C ALA A 37 10.184 -8.368 -5.883 1.00 0.00 C ATOM 568 O ALA A 37 10.829 -9.242 -5.303 1.00 0.00 O ATOM 569 CB ALA A 37 7.904 -8.653 -6.871 1.00 0.00 C ATOM 0 H ALA A 37 7.988 -6.283 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 37 8.411 -8.851 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.165 -9.682 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.836 -8.589 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.150 -8.003 -7.711 1.00 0.00 H new ATOM 575 N ASP A 38 10.732 -7.515 -6.741 1.00 0.00 N ATOM 576 CA ASP A 38 12.154 -7.557 -7.058 1.00 0.00 C ATOM 577 C ASP A 38 12.733 -6.148 -7.146 1.00 0.00 C ATOM 578 O ASP A 38 12.144 -5.260 -7.763 1.00 0.00 O ATOM 579 CB ASP A 38 12.383 -8.299 -8.376 1.00 0.00 C ATOM 580 CG ASP A 38 13.738 -8.977 -8.431 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.079 -9.698 -7.470 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.458 -8.786 -9.434 1.00 0.00 O ATOM 0 H ASP A 38 10.213 -6.786 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 38 12.664 -8.091 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.601 -9.046 -8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.298 -7.596 -9.205 1.00 0.00 H new ATOM 587 N THR A 39 13.891 -5.950 -6.523 1.00 0.00 N ATOM 588 CA THR A 39 14.548 -4.649 -6.528 1.00 0.00 C ATOM 589 C THR A 39 15.760 -4.649 -7.454 1.00 0.00 C ATOM 590 O THR A 39 16.757 -5.320 -7.187 1.00 0.00 O ATOM 591 CB THR A 39 14.998 -4.241 -5.112 1.00 0.00 C ATOM 592 OG1 THR A 39 15.901 -5.219 -4.585 1.00 0.00 O ATOM 593 CG2 THR A 39 13.801 -4.096 -4.185 1.00 0.00 C ATOM 0 H THR A 39 14.393 -6.674 -6.009 1.00 0.00 H new ATOM 0 HA THR A 39 13.817 -3.927 -6.891 1.00 0.00 H new ATOM 0 HB THR A 39 15.504 -3.278 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.371 -5.662 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.143 -3.808 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.130 -3.330 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.271 -5.046 -4.124 1.00 0.00 H new ATOM 601 N ASP A 40 15.667 -3.892 -8.541 1.00 0.00 N ATOM 602 CA ASP A 40 16.757 -3.804 -9.506 1.00 0.00 C ATOM 603 C ASP A 40 17.798 -2.783 -9.058 1.00 0.00 C ATOM 604 O ASP A 40 17.672 -2.181 -7.991 1.00 0.00 O ATOM 605 CB ASP A 40 16.215 -3.427 -10.886 1.00 0.00 C ATOM 606 CG ASP A 40 17.091 -3.940 -12.012 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.739 -4.992 -11.827 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.128 -3.291 -13.078 1.00 0.00 O ATOM 0 H ASP A 40 14.849 -3.331 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 40 17.236 -4.781 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.209 -3.830 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.134 -2.342 -10.958 1.00 0.00 H new ATOM 613 N ASP A 41 18.825 -2.593 -9.879 1.00 0.00 N ATOM 614 CA ASP A 41 19.888 -1.645 -9.567 1.00 0.00 C ATOM 615 C ASP A 41 19.309 -0.310 -9.111 1.00 0.00 C ATOM 616 O ASP A 41 19.607 0.166 -8.015 1.00 0.00 O ATOM 617 CB ASP A 41 20.787 -1.435 -10.787 1.00 0.00 C ATOM 618 CG ASP A 41 21.234 -2.743 -11.409 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.033 -3.460 -10.771 1.00 0.00 O ATOM 620 OD2 ASP A 41 20.786 -3.050 -12.534 1.00 0.00 O ATOM 0 H ASP A 41 18.944 -3.083 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 41 20.483 -2.059 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.252 -0.846 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.664 -0.857 -10.494 1.00 0.00 H new ATOM 625 N HIS A 42 18.479 0.291 -9.958 1.00 0.00 N ATOM 626 CA HIS A 42 17.858 1.572 -9.642 1.00 0.00 C ATOM 627 C HIS A 42 16.355 1.525 -9.899 1.00 0.00 C ATOM 628 O HIS A 42 15.743 2.536 -10.243 1.00 0.00 O ATOM 629 CB HIS A 42 18.494 2.689 -10.469 1.00 0.00 C ATOM 630 CG HIS A 42 19.937 2.447 -10.793 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.973 3.030 -10.095 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.513 1.679 -11.747 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.124 2.633 -10.606 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.873 1.811 -11.609 1.00 0.00 N ATOM 0 H HIS A 42 18.221 -0.089 -10.869 1.00 0.00 H new ATOM 0 HA HIS A 42 18.022 1.776 -8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 42 17.936 2.805 -11.398 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.405 3.629 -9.924 1.00 0.00 H new ATOM 0 HD2 HIS A 42 19.999 1.075 -12.480 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.104 2.930 -10.262 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.575 1.349 -12.187 1.00 0.00 H new ATOM 643 N ARG A 43 15.767 0.345 -9.732 1.00 0.00 N ATOM 644 CA ARG A 43 14.336 0.167 -9.948 1.00 0.00 C ATOM 645 C ARG A 43 13.774 -0.901 -9.013 1.00 0.00 C ATOM 646 O ARG A 43 14.521 -1.580 -8.309 1.00 0.00 O ATOM 647 CB ARG A 43 14.063 -0.219 -11.403 1.00 0.00 C ATOM 648 CG ARG A 43 14.779 0.664 -12.412 1.00 0.00 C ATOM 649 CD ARG A 43 14.103 0.615 -13.773 1.00 0.00 C ATOM 650 NE ARG A 43 13.066 1.634 -13.906 1.00 0.00 N ATOM 651 CZ ARG A 43 12.204 1.679 -14.916 1.00 0.00 C ATOM 652 NH1 ARG A 43 12.255 0.766 -15.876 1.00 0.00 N ATOM 653 NH2 ARG A 43 11.288 2.638 -14.967 1.00 0.00 N ATOM 0 H ARG A 43 16.259 -0.502 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 43 13.840 1.113 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.367 -1.254 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.990 -0.171 -11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.796 1.692 -12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.816 0.342 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.850 0.754 -14.554 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.664 -0.371 -13.924 1.00 0.00 H new ATOM 0 HE ARG A 43 13.000 2.351 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.957 0.027 -15.840 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.592 0.803 -16.650 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.245 3.342 -14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.627 2.671 -15.743 1.00 0.00 H new ATOM 667 N VAL A 44 12.452 -1.042 -9.012 1.00 0.00 N ATOM 668 CA VAL A 44 11.790 -2.027 -8.165 1.00 0.00 C ATOM 669 C VAL A 44 10.432 -2.418 -8.736 1.00 0.00 C ATOM 670 O VAL A 44 9.565 -1.569 -8.944 1.00 0.00 O ATOM 671 CB VAL A 44 11.598 -1.495 -6.732 1.00 0.00 C ATOM 672 CG1 VAL A 44 12.943 -1.207 -6.084 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.722 -0.251 -6.739 1.00 0.00 C ATOM 0 H VAL A 44 11.819 -0.487 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 44 12.435 -2.905 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 44 11.096 -2.262 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.787 -0.832 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.532 -2.124 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.476 -0.458 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.597 0.112 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.194 0.523 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.747 -0.495 -7.160 1.00 0.00 H new ATOM 683 N LYS A 45 10.253 -3.710 -8.989 1.00 0.00 N ATOM 684 CA LYS A 45 9.000 -4.217 -9.535 1.00 0.00 C ATOM 685 C LYS A 45 7.882 -4.133 -8.501 1.00 0.00 C ATOM 686 O LYS A 45 7.808 -4.952 -7.584 1.00 0.00 O ATOM 687 CB LYS A 45 9.171 -5.665 -10.000 1.00 0.00 C ATOM 688 CG LYS A 45 8.053 -6.148 -10.908 1.00 0.00 C ATOM 689 CD LYS A 45 8.408 -7.466 -11.577 1.00 0.00 C ATOM 690 CE LYS A 45 7.411 -7.823 -12.669 1.00 0.00 C ATOM 691 NZ LYS A 45 7.328 -9.294 -12.885 1.00 0.00 N ATOM 0 H LYS A 45 10.961 -4.426 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 45 8.728 -3.597 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.121 -5.759 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.224 -6.315 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.138 -6.268 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.851 -5.395 -11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.409 -7.401 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.431 -8.260 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.427 -7.439 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.701 -7.335 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.638 -9.496 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.262 -9.657 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.026 -9.758 -12.004 1.00 0.00 H new ATOM 705 N VAL A 46 7.012 -3.140 -8.655 1.00 0.00 N ATOM 706 CA VAL A 46 5.897 -2.951 -7.735 1.00 0.00 C ATOM 707 C VAL A 46 4.685 -3.770 -8.166 1.00 0.00 C ATOM 708 O VAL A 46 4.116 -3.543 -9.234 1.00 0.00 O ATOM 709 CB VAL A 46 5.492 -1.468 -7.640 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.478 -0.700 -6.773 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.398 -0.852 -9.028 1.00 0.00 C ATOM 0 H VAL A 46 7.058 -2.454 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 46 6.234 -3.291 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 46 4.509 -1.407 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.176 0.346 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.491 -1.128 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.475 -0.767 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.111 0.196 -8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.366 -0.924 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.650 -1.386 -9.613 1.00 0.00 H new ATOM 721 N HIS A 47 4.294 -4.724 -7.327 1.00 0.00 N ATOM 722 CA HIS A 47 3.148 -5.577 -7.620 1.00 0.00 C ATOM 723 C HIS A 47 1.935 -5.163 -6.791 1.00 0.00 C ATOM 724 O HIS A 47 1.983 -5.160 -5.561 1.00 0.00 O ATOM 725 CB HIS A 47 3.492 -7.041 -7.344 1.00 0.00 C ATOM 726 CG HIS A 47 2.293 -7.897 -7.073 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.762 -8.766 -8.003 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.522 -8.016 -5.966 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.715 -9.380 -7.481 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.549 -8.944 -6.246 1.00 0.00 N ATOM 0 H HIS A 47 4.754 -4.926 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 47 2.901 -5.461 -8.675 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.032 -7.446 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.166 -7.092 -6.489 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.121 -8.912 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.649 -7.481 -5.036 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.099 -10.114 -7.980 1.00 0.00 H new ATOM 739 N PHE A 48 0.851 -4.812 -7.474 1.00 0.00 N ATOM 740 CA PHE A 48 -0.374 -4.393 -6.801 1.00 0.00 C ATOM 741 C PHE A 48 -1.156 -5.601 -6.295 1.00 0.00 C ATOM 742 O PHE A 48 -1.764 -6.333 -7.077 1.00 0.00 O ATOM 743 CB PHE A 48 -1.245 -3.568 -7.750 1.00 0.00 C ATOM 744 CG PHE A 48 -0.729 -2.177 -7.981 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.583 -1.967 -8.377 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.554 -1.078 -7.803 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.062 -0.689 -8.591 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.081 0.203 -8.015 1.00 0.00 C ATOM 749 CZ PHE A 48 0.229 0.398 -8.409 1.00 0.00 C ATOM 0 H PHE A 48 0.795 -4.809 -8.492 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.097 -3.777 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.315 -4.084 -8.707 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.255 -3.509 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.239 -2.813 -8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.579 -1.224 -7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.086 -0.540 -8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.735 1.051 -7.873 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.601 1.398 -8.574 1.00 0.00 H new ATOM 759 N ASP A 49 -1.137 -5.804 -4.982 1.00 0.00 N ATOM 760 CA ASP A 49 -1.844 -6.922 -4.370 1.00 0.00 C ATOM 761 C ASP A 49 -3.193 -7.148 -5.046 1.00 0.00 C ATOM 762 O ASP A 49 -4.068 -6.284 -5.012 1.00 0.00 O ATOM 763 CB ASP A 49 -2.045 -6.670 -2.875 1.00 0.00 C ATOM 764 CG ASP A 49 -2.782 -7.804 -2.191 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.387 -8.973 -2.386 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.754 -7.523 -1.458 1.00 0.00 O ATOM 0 H ASP A 49 -0.639 -5.208 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.237 -7.818 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.074 -6.532 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.602 -5.743 -2.737 1.00 0.00 H new ATOM 771 N GLY A 50 -3.353 -8.315 -5.663 1.00 0.00 N ATOM 772 CA GLY A 50 -4.597 -8.632 -6.340 1.00 0.00 C ATOM 773 C GLY A 50 -4.511 -8.424 -7.838 1.00 0.00 C ATOM 774 O GLY A 50 -4.604 -9.378 -8.611 1.00 0.00 O ATOM 0 H GLY A 50 -2.643 -9.046 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.865 -9.669 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.396 -8.011 -5.935 1.00 0.00 H new ATOM 778 N TRP A 51 -4.335 -7.174 -8.251 1.00 0.00 N ATOM 779 CA TRP A 51 -4.239 -6.843 -9.668 1.00 0.00 C ATOM 780 C TRP A 51 -3.386 -7.867 -10.409 1.00 0.00 C ATOM 781 O TRP A 51 -2.243 -8.124 -10.033 1.00 0.00 O ATOM 782 CB TRP A 51 -3.649 -5.443 -9.847 1.00 0.00 C ATOM 783 CG TRP A 51 -4.543 -4.352 -9.342 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.819 -4.056 -8.038 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.281 -3.414 -10.133 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.684 -2.990 -7.971 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.982 -2.578 -9.242 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.416 -3.198 -11.507 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.804 -1.545 -9.683 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.234 -2.172 -11.943 1.00 0.00 C ATOM 791 CH2 TRP A 51 -6.919 -1.355 -11.033 1.00 0.00 C ATOM 0 H TRP A 51 -4.256 -6.373 -7.625 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.244 -6.862 -10.089 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.693 -5.390 -9.326 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.445 -5.275 -10.904 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.417 -4.582 -7.185 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.045 -2.573 -7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.891 -3.821 -12.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.333 -0.915 -8.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.347 -1.997 -13.003 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.549 -0.561 -11.405 1.00 0.00 H new ATOM 841 N TYR A 55 -0.232 -6.536 -14.700 1.00 0.00 N ATOM 842 CA TYR A 55 -0.217 -5.114 -14.378 1.00 0.00 C ATOM 843 C TYR A 55 1.156 -4.685 -13.870 1.00 0.00 C ATOM 844 O TYR A 55 1.688 -3.653 -14.281 1.00 0.00 O ATOM 845 CB TYR A 55 -1.284 -4.795 -13.329 1.00 0.00 C ATOM 846 CG TYR A 55 -2.639 -4.480 -13.920 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.915 -3.221 -14.441 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.644 -5.439 -13.957 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.152 -2.928 -14.982 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.883 -5.154 -14.497 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.133 -3.898 -15.007 1.00 0.00 C ATOM 852 OH TYR A 55 -6.367 -3.610 -15.545 1.00 0.00 O ATOM 0 HA TYR A 55 -0.437 -4.559 -15.290 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.381 -5.644 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.952 -3.946 -12.731 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.150 -2.459 -14.423 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.453 -6.424 -13.557 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.350 -1.945 -15.383 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.652 -5.912 -14.520 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.942 -4.401 -15.486 1.00 0.00 H new ATOM 862 N ASP A 56 1.724 -5.484 -12.974 1.00 0.00 N ATOM 863 CA ASP A 56 3.036 -5.190 -12.409 1.00 0.00 C ATOM 864 C ASP A 56 3.946 -4.550 -13.453 1.00 0.00 C ATOM 865 O ASP A 56 3.885 -4.889 -14.636 1.00 0.00 O ATOM 866 CB ASP A 56 3.680 -6.468 -11.868 1.00 0.00 C ATOM 867 CG ASP A 56 2.755 -7.236 -10.944 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.782 -6.633 -10.443 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.003 -8.439 -10.724 1.00 0.00 O ATOM 0 H ASP A 56 1.296 -6.341 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 56 2.901 -4.485 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.968 -7.107 -12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.594 -6.212 -11.332 1.00 0.00 H new ATOM 874 N TYR A 57 4.787 -3.624 -13.009 1.00 0.00 N ATOM 875 CA TYR A 57 5.708 -2.934 -13.905 1.00 0.00 C ATOM 876 C TYR A 57 6.965 -2.493 -13.161 1.00 0.00 C ATOM 877 O TYR A 57 6.950 -2.323 -11.942 1.00 0.00 O ATOM 878 CB TYR A 57 5.023 -1.721 -14.537 1.00 0.00 C ATOM 879 CG TYR A 57 4.229 -0.892 -13.553 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.868 -0.115 -12.594 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.840 -0.886 -13.582 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.146 0.643 -11.692 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.110 -0.130 -12.685 1.00 0.00 C ATOM 884 CZ TYR A 57 2.768 0.632 -11.742 1.00 0.00 C ATOM 885 OH TYR A 57 2.045 1.387 -10.846 1.00 0.00 O ATOM 0 H TYR A 57 4.851 -3.333 -12.033 1.00 0.00 H new ATOM 0 HA TYR A 57 6.000 -3.630 -14.692 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.779 -1.090 -15.004 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.359 -2.062 -15.331 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.947 -0.103 -12.553 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.322 -1.483 -14.318 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.658 1.241 -10.952 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.031 -0.136 -12.722 1.00 0.00 H new ATOM 0 HH TYR A 57 1.659 0.802 -10.161 1.00 0.00 H new ATOM 895 N TRP A 58 8.049 -2.308 -13.905 1.00 0.00 N ATOM 896 CA TRP A 58 9.316 -1.886 -13.317 1.00 0.00 C ATOM 897 C TRP A 58 9.342 -0.376 -13.109 1.00 0.00 C ATOM 898 O TRP A 58 9.492 0.388 -14.063 1.00 0.00 O ATOM 899 CB TRP A 58 10.483 -2.311 -14.210 1.00 0.00 C ATOM 900 CG TRP A 58 10.939 -3.717 -13.962 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.760 -4.793 -14.783 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.648 -4.198 -12.815 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.316 -5.915 -14.216 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.868 -5.576 -13.009 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.122 -3.598 -11.645 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.538 -6.361 -12.074 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.786 -4.379 -10.718 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.990 -5.748 -10.937 1.00 0.00 C ATOM 0 H TRP A 58 8.077 -2.443 -14.916 1.00 0.00 H new ATOM 0 HA TRP A 58 9.417 -2.370 -12.345 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.187 -2.211 -15.254 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.320 -1.631 -14.050 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.256 -4.767 -15.738 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.317 -6.848 -14.627 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.972 -2.543 -11.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.695 -7.416 -12.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.154 -3.926 -9.809 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.514 -6.331 -10.194 1.00 0.00 H new ATOM 919 N ILE A 59 9.197 0.047 -11.858 1.00 0.00 N ATOM 920 CA ILE A 59 9.206 1.466 -11.526 1.00 0.00 C ATOM 921 C ILE A 59 10.483 1.849 -10.785 1.00 0.00 C ATOM 922 O ILE A 59 10.995 1.081 -9.971 1.00 0.00 O ATOM 923 CB ILE A 59 7.990 1.850 -10.662 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.772 3.364 -10.693 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.182 1.367 -9.232 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.401 3.787 -10.215 1.00 0.00 C ATOM 0 H ILE A 59 9.072 -0.573 -11.058 1.00 0.00 H new ATOM 0 HA ILE A 59 9.158 2.011 -12.469 1.00 0.00 H new ATOM 0 HB ILE A 59 7.104 1.366 -11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.528 3.845 -10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.920 3.723 -11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.314 1.646 -8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.293 0.283 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.076 1.826 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.317 4.873 -10.264 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.639 3.335 -10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.257 3.458 -9.186 1.00 0.00 H new ATOM 938 N ASP A 60 10.991 3.043 -11.072 1.00 0.00 N ATOM 939 CA ASP A 60 12.207 3.530 -10.431 1.00 0.00 C ATOM 940 C ASP A 60 11.979 3.767 -8.942 1.00 0.00 C ATOM 941 O ASP A 60 11.081 4.513 -8.552 1.00 0.00 O ATOM 942 CB ASP A 60 12.678 4.823 -11.099 1.00 0.00 C ATOM 943 CG ASP A 60 13.064 4.617 -12.551 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.167 4.681 -13.418 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.262 4.391 -12.820 1.00 0.00 O ATOM 0 H ASP A 60 10.580 3.691 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 60 12.978 2.768 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.886 5.569 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.533 5.221 -10.552 1.00 0.00 H new ATOM 950 N ALA A 61 12.797 3.125 -8.114 1.00 0.00 N ATOM 951 CA ALA A 61 12.685 3.266 -6.667 1.00 0.00 C ATOM 952 C ALA A 61 12.921 4.710 -6.237 1.00 0.00 C ATOM 953 O ALA A 61 12.572 5.101 -5.123 1.00 0.00 O ATOM 954 CB ALA A 61 13.667 2.338 -5.969 1.00 0.00 C ATOM 0 H ALA A 61 13.544 2.502 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 61 11.672 2.989 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.572 2.454 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.450 1.306 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.683 2.588 -6.273 1.00 0.00 H new ATOM 960 N ASP A 62 13.516 5.498 -7.126 1.00 0.00 N ATOM 961 CA ASP A 62 13.799 6.899 -6.838 1.00 0.00 C ATOM 962 C ASP A 62 12.757 7.807 -7.483 1.00 0.00 C ATOM 963 O ASP A 62 12.884 9.032 -7.454 1.00 0.00 O ATOM 964 CB ASP A 62 15.197 7.272 -7.335 1.00 0.00 C ATOM 965 CG ASP A 62 16.292 6.532 -6.592 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.502 6.827 -5.397 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.939 5.658 -7.206 1.00 0.00 O ATOM 0 H ASP A 62 13.812 5.190 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 62 13.757 7.038 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.272 7.052 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.346 8.346 -7.220 1.00 0.00 H new ATOM 972 N SER A 63 11.728 7.200 -8.064 1.00 0.00 N ATOM 973 CA SER A 63 10.667 7.953 -8.721 1.00 0.00 C ATOM 974 C SER A 63 9.875 8.773 -7.706 1.00 0.00 C ATOM 975 O SER A 63 9.615 8.337 -6.585 1.00 0.00 O ATOM 976 CB SER A 63 9.728 7.006 -9.471 1.00 0.00 C ATOM 977 OG SER A 63 8.906 7.717 -10.380 1.00 0.00 O ATOM 0 H SER A 63 11.606 6.188 -8.093 1.00 0.00 H new ATOM 0 HA SER A 63 11.129 8.636 -9.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.313 6.261 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.105 6.466 -8.758 1.00 0.00 H new ATOM 0 HG SER A 63 7.965 7.596 -10.134 1.00 0.00 H new ATOM 983 N PRO A 64 9.483 9.992 -8.108 1.00 0.00 N ATOM 984 CA PRO A 64 8.716 10.899 -7.250 1.00 0.00 C ATOM 985 C PRO A 64 7.290 10.410 -7.018 1.00 0.00 C ATOM 986 O PRO A 64 6.643 10.795 -6.044 1.00 0.00 O ATOM 987 CB PRO A 64 8.709 12.211 -8.039 1.00 0.00 C ATOM 988 CG PRO A 64 8.886 11.800 -9.460 1.00 0.00 C ATOM 989 CD PRO A 64 9.759 10.577 -9.431 1.00 0.00 C ATOM 0 HA PRO A 64 9.152 10.986 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.774 12.753 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.513 12.872 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.925 11.583 -9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.349 12.597 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.509 9.886 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.812 10.832 -9.546 1.00 0.00 H new ATOM 997 N ASP A 65 6.808 9.559 -7.917 1.00 0.00 N ATOM 998 CA ASP A 65 5.459 9.016 -7.808 1.00 0.00 C ATOM 999 C ASP A 65 5.377 7.984 -6.688 1.00 0.00 C ATOM 1000 O ASP A 65 4.357 7.871 -6.008 1.00 0.00 O ATOM 1001 CB ASP A 65 5.033 8.383 -9.134 1.00 0.00 C ATOM 1002 CG ASP A 65 5.597 9.117 -10.334 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.348 10.335 -10.456 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.289 8.474 -11.151 1.00 0.00 O ATOM 0 H ASP A 65 7.331 9.230 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 65 4.782 9.836 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.362 7.344 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.945 8.374 -9.196 1.00 0.00 H new ATOM 1009 N ILE A 66 6.457 7.233 -6.503 1.00 0.00 N ATOM 1010 CA ILE A 66 6.507 6.210 -5.465 1.00 0.00 C ATOM 1011 C ILE A 66 6.444 6.834 -4.075 1.00 0.00 C ATOM 1012 O ILE A 66 7.221 7.732 -3.749 1.00 0.00 O ATOM 1013 CB ILE A 66 7.786 5.359 -5.575 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.682 4.394 -6.759 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.026 4.594 -4.282 1.00 0.00 C ATOM 1016 CD1 ILE A 66 8.891 3.498 -6.916 1.00 0.00 C ATOM 0 H ILE A 66 7.309 7.313 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 66 5.639 5.568 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 66 8.633 6.023 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.794 3.774 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.544 4.969 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.933 3.997 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.138 5.299 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.179 3.937 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.748 2.841 -7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.780 4.110 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.018 2.897 -6.016 1.00 0.00 H new ATOM 1028 N HIS A 67 5.513 6.351 -3.258 1.00 0.00 N ATOM 1029 CA HIS A 67 5.350 6.859 -1.900 1.00 0.00 C ATOM 1030 C HIS A 67 5.334 5.716 -0.890 1.00 0.00 C ATOM 1031 O HIS A 67 4.802 4.636 -1.146 1.00 0.00 O ATOM 1032 CB HIS A 67 4.058 7.671 -1.790 1.00 0.00 C ATOM 1033 CG HIS A 67 4.015 8.855 -2.706 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.826 9.959 -2.548 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.252 9.103 -3.796 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.563 10.836 -3.500 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.612 10.340 -4.271 1.00 0.00 N ATOM 0 H HIS A 67 4.861 5.609 -3.512 1.00 0.00 H new ATOM 0 HA HIS A 67 6.198 7.506 -1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.211 7.021 -2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.940 8.013 -0.762 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.500 8.450 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.043 11.795 -3.626 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.210 10.801 -5.087 1.00 0.00 H new ATOM 1046 N PRO A 68 5.932 5.957 0.286 1.00 0.00 N ATOM 1047 CA PRO A 68 6.001 4.959 1.358 1.00 0.00 C ATOM 1048 C PRO A 68 4.639 4.696 1.993 1.00 0.00 C ATOM 1049 O PRO A 68 3.707 5.484 1.836 1.00 0.00 O ATOM 1050 CB PRO A 68 6.951 5.597 2.375 1.00 0.00 C ATOM 1051 CG PRO A 68 6.835 7.062 2.135 1.00 0.00 C ATOM 1052 CD PRO A 68 6.587 7.222 0.660 1.00 0.00 C ATOM 0 HA PRO A 68 6.336 3.989 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.669 5.340 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.975 5.252 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.018 7.489 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.746 7.580 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.950 8.082 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.516 7.372 0.110 1.00 0.00 H new ATOM 1060 N VAL A 69 4.532 3.583 2.712 1.00 0.00 N ATOM 1061 CA VAL A 69 3.284 3.217 3.372 1.00 0.00 C ATOM 1062 C VAL A 69 2.895 4.249 4.424 1.00 0.00 C ATOM 1063 O VAL A 69 3.468 4.288 5.512 1.00 0.00 O ATOM 1064 CB VAL A 69 3.389 1.833 4.040 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.268 1.643 5.051 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.364 0.732 2.991 1.00 0.00 C ATOM 0 H VAL A 69 5.294 2.919 2.852 1.00 0.00 H new ATOM 0 HA VAL A 69 2.515 3.183 2.600 1.00 0.00 H new ATOM 0 HB VAL A 69 4.339 1.775 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.358 0.660 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.337 2.413 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.305 1.720 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.439 -0.239 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.431 0.785 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.204 0.860 2.309 1.00 0.00 H new ATOM 1076 N GLY A 70 1.917 5.086 4.091 1.00 0.00 N ATOM 1077 CA GLY A 70 1.467 6.108 5.018 1.00 0.00 C ATOM 1078 C GLY A 70 1.529 7.500 4.420 1.00 0.00 C ATOM 1079 O GLY A 70 1.307 8.491 5.116 1.00 0.00 O ATOM 0 H GLY A 70 1.428 5.074 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.443 5.892 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.082 6.074 5.918 1.00 0.00 H new ATOM 1083 N TRP A 71 1.834 7.575 3.130 1.00 0.00 N ATOM 1084 CA TRP A 71 1.926 8.857 2.440 1.00 0.00 C ATOM 1085 C TRP A 71 0.555 9.514 2.327 1.00 0.00 C ATOM 1086 O TRP A 71 0.448 10.694 1.990 1.00 0.00 O ATOM 1087 CB TRP A 71 2.530 8.667 1.048 1.00 0.00 C ATOM 1088 CG TRP A 71 2.266 9.817 0.124 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.160 10.768 -0.279 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.023 10.139 -0.511 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.549 11.661 -1.125 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.238 11.296 -1.284 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.249 9.561 -0.502 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.227 11.884 -2.039 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.251 10.146 -1.252 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -1.009 11.297 -2.012 1.00 0.00 C ATOM 0 H TRP A 71 2.022 6.764 2.541 1.00 0.00 H new ATOM 0 HA TRP A 71 2.574 9.510 3.024 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.607 8.526 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.127 7.755 0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.196 10.811 0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.998 12.465 -1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.445 8.673 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.412 12.772 -2.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.238 9.708 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.813 11.730 -2.588 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.490 8.745 2.611 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.855 9.254 2.541 1.00 0.00 C ATOM 1109 C CYS A 72 -2.102 10.300 3.623 1.00 0.00 C ATOM 1110 O CYS A 72 -2.876 11.237 3.429 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.857 8.107 2.685 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.880 7.349 4.326 1.00 0.00 S ATOM 0 H CYS A 72 -0.418 7.767 2.892 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.991 9.726 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.855 8.480 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.624 7.341 1.946 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.759 6.392 4.350 1.00 0.00 H new ATOM 1118 N SER A 73 -1.440 10.132 4.763 1.00 0.00 N ATOM 1119 CA SER A 73 -1.592 11.059 5.879 1.00 0.00 C ATOM 1120 C SER A 73 -0.716 12.293 5.683 1.00 0.00 C ATOM 1121 O SER A 73 -1.188 13.426 5.785 1.00 0.00 O ATOM 1122 CB SER A 73 -1.231 10.368 7.195 1.00 0.00 C ATOM 1123 OG SER A 73 -2.099 9.277 7.453 1.00 0.00 O ATOM 0 H SER A 73 -0.793 9.363 4.939 1.00 0.00 H new ATOM 0 HA SER A 73 -2.634 11.376 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.201 10.015 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.290 11.085 8.014 1.00 0.00 H new ATOM 0 HG SER A 73 -1.847 8.851 8.299 1.00 0.00 H new ATOM 1129 N LYS A 74 0.562 12.065 5.400 1.00 0.00 N ATOM 1130 CA LYS A 74 1.505 13.156 5.187 1.00 0.00 C ATOM 1131 C LYS A 74 0.859 14.288 4.395 1.00 0.00 C ATOM 1132 O LYS A 74 0.729 15.410 4.887 1.00 0.00 O ATOM 1133 CB LYS A 74 2.747 12.649 4.451 1.00 0.00 C ATOM 1134 CG LYS A 74 3.369 11.416 5.085 1.00 0.00 C ATOM 1135 CD LYS A 74 4.781 11.180 4.577 1.00 0.00 C ATOM 1136 CE LYS A 74 4.779 10.649 3.152 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.080 10.889 2.469 1.00 0.00 N ATOM 0 H LYS A 74 0.969 11.134 5.313 1.00 0.00 H new ATOM 0 HA LYS A 74 1.801 13.542 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.480 12.421 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.491 13.445 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.386 11.532 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.753 10.544 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.344 12.112 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.290 10.471 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.566 9.580 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.979 11.127 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.038 10.513 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.271 11.911 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.841 10.411 2.993 1.00 0.00 H new ATOM 1151 N THR A 75 0.453 13.987 3.165 1.00 0.00 N ATOM 1152 CA THR A 75 -0.181 14.978 2.305 1.00 0.00 C ATOM 1153 C THR A 75 -1.654 15.148 2.655 1.00 0.00 C ATOM 1154 O THR A 75 -2.209 16.240 2.536 1.00 0.00 O ATOM 1155 CB THR A 75 -0.059 14.593 0.819 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.856 13.435 0.546 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.391 14.315 0.449 1.00 0.00 C ATOM 0 H THR A 75 0.552 13.064 2.742 1.00 0.00 H new ATOM 0 HA THR A 75 0.340 15.921 2.472 1.00 0.00 H new ATOM 0 HB THR A 75 -0.417 15.430 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.508 12.978 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.452 14.045 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.990 15.207 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.770 13.493 1.056 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.285 14.061 3.088 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.689 14.112 3.449 1.00 0.00 C ATOM 1167 C GLY A 76 -4.596 13.675 2.315 1.00 0.00 C ATOM 1168 O GLY A 76 -5.721 14.159 2.189 1.00 0.00 O ATOM 0 H GLY A 76 -1.848 13.145 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.862 13.473 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.948 15.128 3.746 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.105 12.760 1.486 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.879 12.259 0.355 1.00 0.00 C ATOM 1174 C HIS A 77 -5.490 10.898 0.675 1.00 0.00 C ATOM 1175 O HIS A 77 -4.887 10.063 1.351 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.995 12.154 -0.888 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.949 13.414 -1.698 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -5.065 14.182 -1.958 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -2.914 14.039 -2.305 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -4.717 15.224 -2.692 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.417 15.161 -2.916 1.00 0.00 N ATOM 0 H HIS A 77 -3.175 12.350 1.576 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.687 12.964 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.982 11.891 -0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.360 11.341 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.884 13.716 -2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.383 15.996 -3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.875 15.836 -3.455 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.715 10.668 0.180 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.434 9.409 0.401 1.00 0.00 C ATOM 1192 C PRO A 78 -6.804 8.242 -0.351 1.00 0.00 C ATOM 1193 O PRO A 78 -6.376 8.386 -1.497 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.835 9.702 -0.142 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.634 10.784 -1.146 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.492 11.617 -0.633 1.00 0.00 C ATOM 0 HA PRO A 78 -7.422 9.110 1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.276 8.816 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.509 10.020 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.404 10.368 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.536 11.385 -1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.897 12.029 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.845 12.460 -0.039 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.750 7.085 0.300 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.172 5.891 -0.307 1.00 0.00 C ATOM 1206 C LEU A 79 -7.264 4.918 -0.739 1.00 0.00 C ATOM 1207 O LEU A 79 -8.293 4.791 -0.077 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.220 5.206 0.674 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.369 4.072 0.102 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.264 4.628 -0.783 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.781 3.227 1.224 1.00 0.00 C ATOM 0 H LEU A 79 -7.100 6.948 1.248 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.613 6.197 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.552 5.961 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.807 4.810 1.503 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.010 3.435 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.669 3.806 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.705 5.189 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.625 5.288 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.178 2.425 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.155 3.852 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.588 2.798 1.818 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.030 4.231 -1.853 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.993 3.267 -2.372 1.00 0.00 C ATOM 1225 C GLN A 80 -7.528 1.838 -2.112 1.00 0.00 C ATOM 1226 O GLN A 80 -6.366 1.489 -2.325 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.204 3.482 -3.872 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.721 4.868 -4.221 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.969 5.239 -3.444 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -9.890 5.737 -2.321 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -11.131 4.997 -4.039 1.00 0.00 N ATOM 0 H GLN A 80 -6.182 4.324 -2.413 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.939 3.422 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.260 3.314 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.908 2.737 -4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.941 5.603 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.936 4.913 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.150 4.583 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.004 5.225 -3.564 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.454 0.991 -1.639 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.161 -0.414 -1.339 1.00 0.00 C ATOM 1242 C PRO A 81 -7.911 -1.236 -2.599 1.00 0.00 C ATOM 1243 O PRO A 81 -8.437 -0.944 -3.674 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.429 -0.897 -0.629 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.507 0.003 -1.127 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.857 1.338 -1.361 1.00 0.00 C ATOM 0 HA PRO A 81 -7.254 -0.523 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.643 -1.939 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.326 -0.830 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.945 -0.384 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.315 0.084 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.314 1.866 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.945 1.986 -0.489 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.090 -2.288 -2.467 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.753 -3.174 -3.585 1.00 0.00 C ATOM 1256 C PRO A 82 -7.937 -4.029 -4.026 1.00 0.00 C ATOM 1257 O PRO A 82 -9.069 -3.810 -3.591 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.640 -4.057 -3.015 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.869 -4.052 -1.543 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.429 -2.695 -1.216 1.00 0.00 C ATOM 0 HA PRO A 82 -6.460 -2.614 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.690 -5.068 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.655 -3.662 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.563 -4.841 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.939 -4.231 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.134 -2.741 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.644 -1.995 -0.930 1.00 0.00 H new