USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -0.0031 (180deg=-0.129) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.57 F(o=-3.9!,f=-1.6) USER MOD Single : A 35 CYS SG : rot -170:sc= -0.871 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 46 CYS SG : rot -108:sc= 0.00733 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.51 K(o=-3.5,f=-9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.559 F(o=-3.4,f=-0.56) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.123 (180deg=-0.642) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.886 0.621 1.104 1.00 0.00 N ATOM 194 CA ARG A 18 8.599 1.178 0.707 1.00 0.00 C ATOM 195 C ARG A 18 8.604 1.562 -0.769 1.00 0.00 C ATOM 196 O ARG A 18 9.486 2.287 -1.228 1.00 0.00 O ATOM 197 CB ARG A 18 8.263 2.402 1.562 1.00 0.00 C ATOM 198 CG ARG A 18 8.264 2.121 3.056 1.00 0.00 C ATOM 199 CD ARG A 18 7.118 1.203 3.451 1.00 0.00 C ATOM 200 NE ARG A 18 5.886 1.945 3.708 1.00 0.00 N ATOM 201 CZ ARG A 18 5.595 2.503 4.877 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.443 2.404 5.892 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.454 3.162 5.033 1.00 0.00 N ATOM 0 HA ARG A 18 7.838 0.414 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.983 3.192 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.282 2.779 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.212 1.665 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.185 3.060 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.945 0.477 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.395 0.640 4.342 1.00 0.00 H new ATOM 0 HE ARG A 18 5.213 2.040 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.321 1.898 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.217 2.834 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.800 3.240 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.231 3.590 5.931 1.00 0.00 H new ATOM 217 N GLU A 19 7.615 1.069 -1.508 1.00 0.00 N ATOM 218 CA GLU A 19 7.507 1.359 -2.932 1.00 0.00 C ATOM 219 C GLU A 19 6.407 2.383 -3.198 1.00 0.00 C ATOM 220 O GLU A 19 5.459 2.508 -2.422 1.00 0.00 O ATOM 221 CB GLU A 19 7.225 0.076 -3.717 1.00 0.00 C ATOM 222 CG GLU A 19 8.254 -1.018 -3.485 1.00 0.00 C ATOM 223 CD GLU A 19 9.553 -0.764 -4.223 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.969 0.411 -4.306 1.00 0.00 O ATOM 225 OE2 GLU A 19 10.155 -1.740 -4.719 1.00 0.00 O ATOM 0 H GLU A 19 6.877 0.467 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 19 8.457 1.778 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.240 -0.299 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.190 0.311 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.457 -1.100 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.840 -1.974 -3.805 1.00 0.00 H new ATOM 232 N THR A 20 6.541 3.114 -4.300 1.00 0.00 N ATOM 233 CA THR A 20 5.561 4.128 -4.668 1.00 0.00 C ATOM 234 C THR A 20 4.941 3.826 -6.028 1.00 0.00 C ATOM 235 O THR A 20 5.606 3.304 -6.921 1.00 0.00 O ATOM 236 CB THR A 20 6.192 5.533 -4.705 1.00 0.00 C ATOM 237 OG1 THR A 20 7.190 5.594 -5.730 1.00 0.00 O ATOM 238 CG2 THR A 20 6.815 5.881 -3.361 1.00 0.00 C ATOM 0 H THR A 20 7.319 3.023 -4.953 1.00 0.00 H new ATOM 0 HA THR A 20 4.784 4.107 -3.904 1.00 0.00 H new ATOM 0 HB THR A 20 5.406 6.256 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.585 6.490 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.254 6.877 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.047 5.861 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.591 5.154 -3.120 1.00 0.00 H new ATOM 246 N GLY A 21 3.662 4.159 -6.177 1.00 0.00 N ATOM 247 CA GLY A 21 2.975 3.916 -7.432 1.00 0.00 C ATOM 248 C GLY A 21 1.840 4.893 -7.670 1.00 0.00 C ATOM 249 O GLY A 21 1.979 6.090 -7.420 1.00 0.00 O ATOM 0 H GLY A 21 3.090 4.592 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.689 3.986 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.582 2.899 -7.437 1.00 0.00 H new ATOM 253 N VAL A 22 0.713 4.381 -8.156 1.00 0.00 N ATOM 254 CA VAL A 22 -0.450 5.217 -8.428 1.00 0.00 C ATOM 255 C VAL A 22 -1.744 4.426 -8.268 1.00 0.00 C ATOM 256 O VAL A 22 -1.819 3.257 -8.646 1.00 0.00 O ATOM 257 CB VAL A 22 -0.396 5.809 -9.849 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.786 4.760 -10.880 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.297 7.030 -9.952 1.00 0.00 C ATOM 0 H VAL A 22 0.581 3.392 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.432 6.030 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 22 0.627 6.123 -10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.742 5.197 -11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.096 3.918 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.800 4.413 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.246 7.435 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.324 6.744 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.967 7.787 -9.241 1.00 0.00 H new ATOM 269 N ILE A 23 -2.760 5.072 -7.705 1.00 0.00 N ATOM 270 CA ILE A 23 -4.051 4.429 -7.496 1.00 0.00 C ATOM 271 C ILE A 23 -4.783 4.225 -8.818 1.00 0.00 C ATOM 272 O ILE A 23 -5.471 5.123 -9.303 1.00 0.00 O ATOM 273 CB ILE A 23 -4.944 5.254 -6.550 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.152 5.686 -5.314 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.171 4.451 -6.145 1.00 0.00 C ATOM 276 CD1 ILE A 23 -3.856 4.551 -4.359 1.00 0.00 C ATOM 0 H ILE A 23 -2.714 6.040 -7.386 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.851 3.459 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.277 6.148 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.212 6.136 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.711 6.458 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.792 5.048 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.744 4.188 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.858 3.541 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.292 4.930 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.792 4.116 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.270 3.788 -4.871 1.00 0.00 H new ATOM 288 N GLU A 24 -4.632 3.036 -9.394 1.00 0.00 N ATOM 289 CA GLU A 24 -5.280 2.714 -10.660 1.00 0.00 C ATOM 290 C GLU A 24 -6.789 2.571 -10.477 1.00 0.00 C ATOM 291 O GLU A 24 -7.574 3.118 -11.251 1.00 0.00 O ATOM 292 CB GLU A 24 -4.701 1.422 -11.240 1.00 0.00 C ATOM 293 CG GLU A 24 -4.818 1.328 -12.752 1.00 0.00 C ATOM 294 CD GLU A 24 -4.148 2.488 -13.463 1.00 0.00 C ATOM 295 OE1 GLU A 24 -2.918 2.642 -13.319 1.00 0.00 O ATOM 296 OE2 GLU A 24 -4.856 3.242 -14.163 1.00 0.00 O ATOM 0 H GLU A 24 -4.067 2.281 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.091 3.532 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.650 1.347 -10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.212 0.571 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.371 0.393 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.872 1.296 -13.030 1.00 0.00 H new ATOM 303 N LYS A 25 -7.187 1.830 -9.449 1.00 0.00 N ATOM 304 CA LYS A 25 -8.600 1.614 -9.162 1.00 0.00 C ATOM 305 C LYS A 25 -8.871 1.701 -7.664 1.00 0.00 C ATOM 306 O LYS A 25 -7.982 1.455 -6.846 1.00 0.00 O ATOM 307 CB LYS A 25 -9.046 0.250 -9.694 1.00 0.00 C ATOM 308 CG LYS A 25 -10.493 0.222 -10.157 1.00 0.00 C ATOM 309 CD LYS A 25 -11.424 -0.245 -9.051 1.00 0.00 C ATOM 310 CE LYS A 25 -12.871 -0.278 -9.517 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.384 1.084 -9.831 1.00 0.00 N ATOM 0 H LYS A 25 -6.550 1.368 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.171 2.397 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.401 -0.035 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.908 -0.498 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.790 1.218 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.588 -0.440 -11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.125 -1.239 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.332 0.420 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.953 -0.910 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.491 -0.730 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.412 1.042 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.175 1.725 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.923 1.438 -10.694 1.00 0.00 H new ATOM 325 N LEU A 26 -10.102 2.051 -7.309 1.00 0.00 N ATOM 326 CA LEU A 26 -10.491 2.169 -5.908 1.00 0.00 C ATOM 327 C LEU A 26 -11.951 1.774 -5.713 1.00 0.00 C ATOM 328 O LEU A 26 -12.815 2.134 -6.514 1.00 0.00 O ATOM 329 CB LEU A 26 -10.266 3.599 -5.414 1.00 0.00 C ATOM 330 CG LEU A 26 -10.157 3.777 -3.900 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.708 3.660 -3.451 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.741 5.117 -3.477 1.00 0.00 C ATOM 0 H LEU A 26 -10.849 2.258 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.870 1.489 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.353 3.980 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.086 4.220 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.730 2.985 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.650 3.790 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.322 2.677 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.112 4.430 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.655 5.226 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.196 5.923 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.792 5.163 -3.764 1.00 0.00 H new ATOM 344 N LEU A 27 -12.221 1.035 -4.642 1.00 0.00 N ATOM 345 CA LEU A 27 -13.578 0.594 -4.340 1.00 0.00 C ATOM 346 C LEU A 27 -13.931 0.877 -2.883 1.00 0.00 C ATOM 347 O LEU A 27 -13.154 1.494 -2.153 1.00 0.00 O ATOM 348 CB LEU A 27 -13.726 -0.901 -4.630 1.00 0.00 C ATOM 349 CG LEU A 27 -13.371 -1.347 -6.049 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.877 -1.605 -6.169 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.161 -2.590 -6.431 1.00 0.00 C ATOM 0 H LEU A 27 -11.518 0.729 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.265 1.152 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.097 -1.451 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.757 -1.190 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.637 -0.546 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.643 -1.921 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.330 -0.691 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.586 -2.388 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.895 -2.893 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.926 -3.398 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.228 -2.371 -6.386 1.00 0.00 H new ATOM 363 N THR A 28 -15.108 0.421 -2.465 1.00 0.00 N ATOM 364 CA THR A 28 -15.563 0.625 -1.096 1.00 0.00 C ATOM 365 C THR A 28 -14.903 -0.366 -0.144 1.00 0.00 C ATOM 366 O THR A 28 -14.721 -0.077 1.039 1.00 0.00 O ATOM 367 CB THR A 28 -17.093 0.483 -0.986 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.736 1.562 -1.675 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.533 0.473 0.470 1.00 0.00 C ATOM 0 H THR A 28 -15.763 -0.092 -3.055 1.00 0.00 H new ATOM 0 HA THR A 28 -15.278 1.639 -0.816 1.00 0.00 H new ATOM 0 HB THR A 28 -17.381 -0.464 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.708 1.464 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.617 0.372 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.065 -0.366 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.232 1.406 0.947 1.00 0.00 H new ATOM 377 N SER A 29 -14.547 -1.534 -0.667 1.00 0.00 N ATOM 378 CA SER A 29 -13.909 -2.570 0.138 1.00 0.00 C ATOM 379 C SER A 29 -12.389 -2.452 0.070 1.00 0.00 C ATOM 380 O SER A 29 -11.696 -2.625 1.072 1.00 0.00 O ATOM 381 CB SER A 29 -14.347 -3.956 -0.336 1.00 0.00 C ATOM 382 OG SER A 29 -15.758 -4.082 -0.311 1.00 0.00 O ATOM 0 H SER A 29 -14.689 -1.787 -1.645 1.00 0.00 H new ATOM 0 HA SER A 29 -14.220 -2.434 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.981 -4.130 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.899 -4.719 0.300 1.00 0.00 H new ATOM 0 HG SER A 29 -16.012 -4.977 -0.620 1.00 0.00 H new ATOM 388 N TYR A 30 -11.879 -2.157 -1.121 1.00 0.00 N ATOM 389 CA TYR A 30 -10.441 -2.019 -1.323 1.00 0.00 C ATOM 390 C TYR A 30 -10.142 -1.312 -2.641 1.00 0.00 C ATOM 391 O TYR A 30 -11.050 -0.861 -3.337 1.00 0.00 O ATOM 392 CB TYR A 30 -9.768 -3.392 -1.303 1.00 0.00 C ATOM 393 CG TYR A 30 -10.558 -4.464 -2.019 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.205 -4.193 -3.218 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.657 -5.748 -1.497 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.929 -5.169 -3.876 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.377 -6.730 -2.148 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.011 -6.436 -3.337 1.00 0.00 C ATOM 399 OH TYR A 30 -12.731 -7.412 -3.988 1.00 0.00 O ATOM 0 H TYR A 30 -12.439 -2.009 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.041 -1.415 -0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.783 -3.311 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.614 -3.697 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.141 -3.202 -3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.162 -5.982 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.428 -4.941 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.443 -7.723 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.687 -8.247 -3.476 1.00 0.00 H new ATOM 409 N GLY A 31 -8.859 -1.220 -2.978 1.00 0.00 N ATOM 410 CA GLY A 31 -8.460 -0.567 -4.211 1.00 0.00 C ATOM 411 C GLY A 31 -7.164 -1.122 -4.768 1.00 0.00 C ATOM 412 O GLY A 31 -6.431 -1.825 -4.072 1.00 0.00 O ATOM 0 H GLY A 31 -8.089 -1.586 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.250 -0.684 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.347 0.502 -4.032 1.00 0.00 H new ATOM 416 N PHE A 32 -6.880 -0.807 -6.027 1.00 0.00 N ATOM 417 CA PHE A 32 -5.665 -1.281 -6.679 1.00 0.00 C ATOM 418 C PHE A 32 -4.670 -0.140 -6.869 1.00 0.00 C ATOM 419 O PHE A 32 -5.050 1.031 -6.900 1.00 0.00 O ATOM 420 CB PHE A 32 -5.999 -1.913 -8.031 1.00 0.00 C ATOM 421 CG PHE A 32 -6.929 -3.088 -7.931 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.274 -2.902 -7.656 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.458 -4.378 -8.111 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.132 -3.982 -7.562 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.311 -5.462 -8.019 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.650 -5.263 -7.745 1.00 0.00 C ATOM 0 H PHE A 32 -7.475 -0.225 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.208 -2.035 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.449 -1.157 -8.675 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.074 -2.232 -8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.657 -1.902 -7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.412 -4.539 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.178 -3.824 -7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.931 -6.463 -8.161 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.319 -6.108 -7.674 1.00 0.00 H new ATOM 436 N ILE A 33 -3.394 -0.490 -6.997 1.00 0.00 N ATOM 437 CA ILE A 33 -2.345 0.504 -7.185 1.00 0.00 C ATOM 438 C ILE A 33 -1.381 0.083 -8.288 1.00 0.00 C ATOM 439 O ILE A 33 -0.668 -0.912 -8.157 1.00 0.00 O ATOM 440 CB ILE A 33 -1.551 0.737 -5.886 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.484 1.207 -4.769 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.441 1.751 -6.118 1.00 0.00 C ATOM 443 CD1 ILE A 33 -1.948 0.938 -3.380 1.00 0.00 C ATOM 0 H ILE A 33 -3.062 -1.454 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.838 1.433 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.097 -0.206 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.661 2.277 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.448 0.711 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.111 1.905 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.237 1.379 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.874 2.697 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.662 1.297 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.798 -0.134 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.998 1.456 -3.250 1.00 0.00 H new ATOM 455 N GLN A 34 -1.363 0.848 -9.375 1.00 0.00 N ATOM 456 CA GLN A 34 -0.485 0.554 -10.501 1.00 0.00 C ATOM 457 C GLN A 34 0.932 1.049 -10.230 1.00 0.00 C ATOM 458 O GLN A 34 1.257 2.207 -10.495 1.00 0.00 O ATOM 459 CB GLN A 34 -1.027 1.197 -11.779 1.00 0.00 C ATOM 460 CG GLN A 34 -0.083 1.084 -12.965 1.00 0.00 C ATOM 461 CD GLN A 34 -0.358 -0.141 -13.815 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.152 -1.288 -13.384 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.022 -0.057 -14.849 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.946 1.676 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.454 -0.528 -10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.977 0.729 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.232 2.250 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.173 1.978 -13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.945 1.048 -12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.395 0.845 -15.143 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.199 -0.890 -15.411 1.00 0.00 H new ATOM 472 N CYS A 35 1.771 0.166 -9.701 1.00 0.00 N ATOM 473 CA CYS A 35 3.154 0.513 -9.393 1.00 0.00 C ATOM 474 C CYS A 35 3.779 1.315 -10.530 1.00 0.00 C ATOM 475 O CYS A 35 3.520 1.052 -11.704 1.00 0.00 O ATOM 476 CB CYS A 35 3.973 -0.751 -9.134 1.00 0.00 C ATOM 477 SG CYS A 35 3.597 -1.566 -7.564 1.00 0.00 S ATOM 0 H CYS A 35 1.518 -0.796 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 35 3.157 1.129 -8.494 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.800 -1.456 -9.947 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.032 -0.495 -9.154 1.00 0.00 H new ATOM 0 HG CYS A 35 4.476 -2.496 -7.337 1.00 0.00 H new ATOM 483 N SER A 36 4.601 2.296 -10.173 1.00 0.00 N ATOM 484 CA SER A 36 5.260 3.141 -11.162 1.00 0.00 C ATOM 485 C SER A 36 6.701 2.694 -11.385 1.00 0.00 C ATOM 486 O SER A 36 7.425 3.277 -12.192 1.00 0.00 O ATOM 487 CB SER A 36 5.230 4.604 -10.716 1.00 0.00 C ATOM 488 OG SER A 36 3.919 5.136 -10.798 1.00 0.00 O ATOM 0 H SER A 36 4.827 2.526 -9.205 1.00 0.00 H new ATOM 0 HA SER A 36 4.719 3.045 -12.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.594 4.683 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.904 5.191 -11.340 1.00 0.00 H new ATOM 0 HG SER A 36 3.927 6.071 -10.506 1.00 0.00 H new ATOM 494 N GLU A 37 7.111 1.656 -10.663 1.00 0.00 N ATOM 495 CA GLU A 37 8.467 1.132 -10.780 1.00 0.00 C ATOM 496 C GLU A 37 8.468 -0.216 -11.496 1.00 0.00 C ATOM 497 O GLU A 37 9.316 -0.476 -12.350 1.00 0.00 O ATOM 498 CB GLU A 37 9.104 0.988 -9.397 1.00 0.00 C ATOM 499 CG GLU A 37 8.996 2.241 -8.544 1.00 0.00 C ATOM 500 CD GLU A 37 10.127 2.362 -7.540 1.00 0.00 C ATOM 501 OE1 GLU A 37 11.202 2.873 -7.918 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.937 1.946 -6.379 1.00 0.00 O ATOM 0 H GLU A 37 6.524 1.161 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 37 9.053 1.838 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.629 0.159 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.156 0.729 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.994 3.118 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.044 2.234 -8.014 1.00 0.00 H new ATOM 509 N ARG A 38 7.513 -1.069 -11.140 1.00 0.00 N ATOM 510 CA ARG A 38 7.405 -2.391 -11.746 1.00 0.00 C ATOM 511 C ARG A 38 6.298 -2.419 -12.796 1.00 0.00 C ATOM 512 O ARG A 38 6.053 -3.447 -13.425 1.00 0.00 O ATOM 513 CB ARG A 38 7.132 -3.446 -10.673 1.00 0.00 C ATOM 514 CG ARG A 38 5.700 -3.441 -10.165 1.00 0.00 C ATOM 515 CD ARG A 38 5.445 -4.595 -9.207 1.00 0.00 C ATOM 516 NE ARG A 38 5.106 -5.828 -9.912 1.00 0.00 N ATOM 517 CZ ARG A 38 4.530 -6.873 -9.330 1.00 0.00 C ATOM 518 NH1 ARG A 38 4.230 -6.835 -8.039 1.00 0.00 N ATOM 519 NH2 ARG A 38 4.253 -7.960 -10.039 1.00 0.00 N ATOM 0 H ARG A 38 6.803 -0.869 -10.435 1.00 0.00 H new ATOM 0 HA ARG A 38 8.352 -2.617 -12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.362 -4.432 -11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.807 -3.281 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.495 -2.496 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.013 -3.508 -11.009 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.331 -4.760 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.634 -4.330 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 38 5.324 -5.890 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.442 -6.001 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.787 -7.639 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.483 -7.993 -11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.810 -8.762 -9.591 1.00 0.00 H new ATOM 533 N GLN A 39 5.633 -1.282 -12.978 1.00 0.00 N ATOM 534 CA GLN A 39 4.552 -1.177 -13.950 1.00 0.00 C ATOM 535 C GLN A 39 3.578 -2.343 -13.809 1.00 0.00 C ATOM 536 O GLN A 39 3.140 -2.922 -14.802 1.00 0.00 O ATOM 537 CB GLN A 39 5.117 -1.139 -15.371 1.00 0.00 C ATOM 538 CG GLN A 39 5.813 -2.426 -15.784 1.00 0.00 C ATOM 539 CD GLN A 39 6.052 -2.507 -17.279 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.673 -1.622 -17.869 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.559 -3.571 -17.900 1.00 0.00 N ATOM 0 H GLN A 39 5.824 -0.421 -12.465 1.00 0.00 H new ATOM 0 HA GLN A 39 4.012 -0.250 -13.756 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.306 -0.934 -16.070 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.823 -0.312 -15.450 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.767 -2.502 -15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.210 -3.278 -15.470 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.051 -4.280 -17.371 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.688 -3.680 -18.906 1.00 0.00 H new ATOM 550 N ALA A 40 3.244 -2.681 -12.568 1.00 0.00 N ATOM 551 CA ALA A 40 2.321 -3.776 -12.297 1.00 0.00 C ATOM 552 C ALA A 40 1.135 -3.301 -11.465 1.00 0.00 C ATOM 553 O ALA A 40 1.290 -2.493 -10.549 1.00 0.00 O ATOM 554 CB ALA A 40 3.044 -4.912 -11.588 1.00 0.00 C ATOM 0 H ALA A 40 3.599 -2.212 -11.734 1.00 0.00 H new ATOM 0 HA ALA A 40 1.939 -4.141 -13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.343 -5.723 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.854 -5.277 -12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.453 -4.550 -10.645 1.00 0.00 H new ATOM 560 N ARG A 41 -0.050 -3.806 -11.790 1.00 0.00 N ATOM 561 CA ARG A 41 -1.264 -3.432 -11.074 1.00 0.00 C ATOM 562 C ARG A 41 -1.371 -4.188 -9.753 1.00 0.00 C ATOM 563 O ARG A 41 -1.779 -5.350 -9.723 1.00 0.00 O ATOM 564 CB ARG A 41 -2.497 -3.710 -11.936 1.00 0.00 C ATOM 565 CG ARG A 41 -2.898 -2.541 -12.821 1.00 0.00 C ATOM 566 CD ARG A 41 -3.620 -3.013 -14.073 1.00 0.00 C ATOM 567 NE ARG A 41 -4.782 -3.839 -13.756 1.00 0.00 N ATOM 568 CZ ARG A 41 -5.373 -4.643 -14.633 1.00 0.00 C ATOM 569 NH1 ARG A 41 -4.914 -4.729 -15.873 1.00 0.00 N ATOM 570 NH2 ARG A 41 -6.426 -5.364 -14.269 1.00 0.00 N ATOM 0 H ARG A 41 -0.196 -4.476 -12.545 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.214 -2.365 -10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.302 -4.580 -12.564 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.334 -3.967 -11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.543 -1.864 -12.261 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.010 -1.975 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.938 -2.148 -14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.930 -3.582 -14.697 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.160 -3.796 -12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.105 -4.177 -16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.370 -5.347 -16.544 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.782 -5.301 -13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.879 -5.981 -14.943 1.00 0.00 H new ATOM 584 N LEU A 42 -1.003 -3.523 -8.664 1.00 0.00 N ATOM 585 CA LEU A 42 -1.057 -4.133 -7.340 1.00 0.00 C ATOM 586 C LEU A 42 -2.462 -4.037 -6.754 1.00 0.00 C ATOM 587 O LEU A 42 -3.324 -3.340 -7.290 1.00 0.00 O ATOM 588 CB LEU A 42 -0.055 -3.456 -6.404 1.00 0.00 C ATOM 589 CG LEU A 42 1.347 -4.065 -6.368 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.154 -3.481 -5.218 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.268 -5.580 -6.251 1.00 0.00 C ATOM 0 H LEU A 42 -0.664 -2.561 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.796 -5.186 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.033 -2.409 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.463 -3.474 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 42 1.853 -3.819 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.149 -3.926 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.241 -2.402 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.651 -3.696 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.275 -5.996 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.743 -5.847 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.729 -5.984 -7.108 1.00 0.00 H new ATOM 603 N PHE A 43 -2.686 -4.741 -5.649 1.00 0.00 N ATOM 604 CA PHE A 43 -3.986 -4.735 -4.989 1.00 0.00 C ATOM 605 C PHE A 43 -3.843 -4.393 -3.509 1.00 0.00 C ATOM 606 O PHE A 43 -3.343 -5.196 -2.720 1.00 0.00 O ATOM 607 CB PHE A 43 -4.668 -6.095 -5.146 1.00 0.00 C ATOM 608 CG PHE A 43 -5.563 -6.454 -3.995 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.442 -5.521 -3.467 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.526 -7.723 -3.440 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.266 -5.848 -2.407 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.349 -8.056 -2.380 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.221 -7.117 -1.864 1.00 0.00 C ATOM 0 H PHE A 43 -1.984 -5.323 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.602 -3.971 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.254 -6.094 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.904 -6.865 -5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.483 -4.528 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.846 -8.461 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.945 -5.111 -2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.310 -9.049 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.866 -7.375 -1.037 1.00 0.00 H new ATOM 623 N PHE A 44 -4.285 -3.196 -3.138 1.00 0.00 N ATOM 624 CA PHE A 44 -4.205 -2.746 -1.754 1.00 0.00 C ATOM 625 C PHE A 44 -5.573 -2.811 -1.081 1.00 0.00 C ATOM 626 O PHE A 44 -6.594 -2.500 -1.694 1.00 0.00 O ATOM 627 CB PHE A 44 -3.660 -1.317 -1.690 1.00 0.00 C ATOM 628 CG PHE A 44 -4.733 -0.266 -1.706 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.250 0.196 -2.906 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.223 0.261 -0.522 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.237 1.164 -2.925 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.210 1.229 -0.535 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.717 1.681 -1.737 1.00 0.00 C ATOM 0 H PHE A 44 -4.703 -2.520 -3.777 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.525 -3.411 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.065 -1.204 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.990 -1.154 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.878 -0.205 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.830 -0.088 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.632 1.515 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.584 1.631 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.488 2.438 -1.749 1.00 0.00 H new ATOM 643 N HIS A 45 -5.584 -3.219 0.184 1.00 0.00 N ATOM 644 CA HIS A 45 -6.826 -3.326 0.942 1.00 0.00 C ATOM 645 C HIS A 45 -7.090 -2.050 1.735 1.00 0.00 C ATOM 646 O HIS A 45 -6.170 -1.457 2.300 1.00 0.00 O ATOM 647 CB HIS A 45 -6.770 -4.526 1.887 1.00 0.00 C ATOM 648 CG HIS A 45 -8.084 -5.228 2.043 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.267 -4.565 2.292 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.398 -6.544 1.981 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.251 -5.442 2.379 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.750 -6.650 2.193 1.00 0.00 N ATOM 0 H HIS A 45 -4.748 -3.481 0.706 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.643 -3.469 0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.030 -5.236 1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.428 -4.191 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.712 -7.358 1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.289 -5.211 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.282 -7.520 2.205 1.00 0.00 H new ATOM 661 N CYS A 46 -8.350 -1.632 1.773 1.00 0.00 N ATOM 662 CA CYS A 46 -8.735 -0.425 2.496 1.00 0.00 C ATOM 663 C CYS A 46 -8.223 -0.466 3.932 1.00 0.00 C ATOM 664 O CYS A 46 -8.177 0.558 4.615 1.00 0.00 O ATOM 665 CB CYS A 46 -10.256 -0.264 2.488 1.00 0.00 C ATOM 666 SG CYS A 46 -11.096 -1.116 3.844 1.00 0.00 S ATOM 0 H CYS A 46 -9.123 -2.111 1.311 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.284 0.430 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.498 0.798 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.645 -0.639 1.541 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.730 -2.151 3.379 1.00 0.00 H new ATOM 672 N SER A 47 -7.840 -1.655 4.385 1.00 0.00 N ATOM 673 CA SER A 47 -7.337 -1.831 5.743 1.00 0.00 C ATOM 674 C SER A 47 -5.873 -1.410 5.838 1.00 0.00 C ATOM 675 O SER A 47 -5.420 -0.935 6.879 1.00 0.00 O ATOM 676 CB SER A 47 -7.489 -3.288 6.182 1.00 0.00 C ATOM 677 OG SER A 47 -7.407 -3.407 7.591 1.00 0.00 O ATOM 0 H SER A 47 -7.868 -2.511 3.832 1.00 0.00 H new ATOM 0 HA SER A 47 -7.925 -1.196 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.447 -3.677 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.712 -3.894 5.717 1.00 0.00 H new ATOM 0 HG SER A 47 -7.509 -4.348 7.846 1.00 0.00 H new ATOM 683 N GLN A 48 -5.141 -1.588 4.743 1.00 0.00 N ATOM 684 CA GLN A 48 -3.728 -1.227 4.703 1.00 0.00 C ATOM 685 C GLN A 48 -3.542 0.270 4.923 1.00 0.00 C ATOM 686 O GLN A 48 -2.741 0.690 5.759 1.00 0.00 O ATOM 687 CB GLN A 48 -3.113 -1.639 3.364 1.00 0.00 C ATOM 688 CG GLN A 48 -3.403 -3.080 2.979 1.00 0.00 C ATOM 689 CD GLN A 48 -2.886 -4.073 4.002 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.980 -3.768 4.777 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.461 -5.270 4.008 1.00 0.00 N ATOM 0 H GLN A 48 -5.502 -1.979 3.873 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.220 -1.759 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.490 -0.980 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.034 -1.494 3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.479 -3.211 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.949 -3.292 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.209 -5.480 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.155 -5.980 4.673 1.00 0.00 H new ATOM 700 N TYR A 49 -4.286 1.071 4.168 1.00 0.00 N ATOM 701 CA TYR A 49 -4.201 2.522 4.278 1.00 0.00 C ATOM 702 C TYR A 49 -4.357 2.968 5.729 1.00 0.00 C ATOM 703 O TYR A 49 -5.320 2.605 6.401 1.00 0.00 O ATOM 704 CB TYR A 49 -5.273 3.184 3.411 1.00 0.00 C ATOM 705 CG TYR A 49 -5.123 4.685 3.303 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.880 5.265 3.084 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.225 5.523 3.420 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.738 6.635 2.986 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.093 6.895 3.321 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.848 7.446 3.105 1.00 0.00 C ATOM 711 OH TYR A 49 -4.711 8.812 3.006 1.00 0.00 O ATOM 0 H TYR A 49 -4.955 0.739 3.473 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.217 2.831 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.238 2.751 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.255 2.954 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.009 4.633 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.202 5.095 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.764 7.069 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.960 7.532 3.412 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.588 9.237 3.111 1.00 0.00 H new ATOM 721 N ASN A 50 -3.400 3.760 6.203 1.00 0.00 N ATOM 722 CA ASN A 50 -3.430 4.257 7.574 1.00 0.00 C ATOM 723 C ASN A 50 -4.403 5.424 7.709 1.00 0.00 C ATOM 724 O ASN A 50 -5.049 5.591 8.742 1.00 0.00 O ATOM 725 CB ASN A 50 -2.030 4.693 8.011 1.00 0.00 C ATOM 726 CG ASN A 50 -2.061 5.628 9.204 1.00 0.00 C ATOM 727 OD1 ASN A 50 -2.242 5.195 10.342 1.00 0.00 O ATOM 728 ND2 ASN A 50 -1.886 6.919 8.948 1.00 0.00 N ATOM 0 H ASN A 50 -2.595 4.071 5.659 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.770 3.447 8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.439 3.811 8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.530 5.188 7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.898 7.596 9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.739 7.233 7.989 1.00 0.00 H new ATOM 735 N GLY A 51 -4.502 6.229 6.655 1.00 0.00 N ATOM 736 CA GLY A 51 -5.399 7.370 6.675 1.00 0.00 C ATOM 737 C GLY A 51 -6.849 6.972 6.486 1.00 0.00 C ATOM 738 O GLY A 51 -7.296 5.958 7.021 1.00 0.00 O ATOM 0 H GLY A 51 -3.977 6.111 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.291 7.896 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.112 8.068 5.888 1.00 0.00 H new ATOM 742 N ASN A 52 -7.586 7.772 5.722 1.00 0.00 N ATOM 743 CA ASN A 52 -8.995 7.498 5.465 1.00 0.00 C ATOM 744 C ASN A 52 -9.266 7.404 3.967 1.00 0.00 C ATOM 745 O ASN A 52 -9.188 8.401 3.247 1.00 0.00 O ATOM 746 CB ASN A 52 -9.870 8.589 6.086 1.00 0.00 C ATOM 747 CG ASN A 52 -11.249 8.081 6.461 1.00 0.00 C ATOM 748 OD1 ASN A 52 -12.142 8.016 5.480 1.00 0.00 O flip ATOM 749 ND2 ASN A 52 -11.507 7.751 7.618 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.231 8.615 5.270 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.242 6.540 5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.377 8.984 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.969 9.416 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.789 7.818 8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.439 7.411 7.856 1.00 0.00 H new ATOM 756 N LEU A 53 -9.586 6.201 3.503 1.00 0.00 N ATOM 757 CA LEU A 53 -9.870 5.976 2.090 1.00 0.00 C ATOM 758 C LEU A 53 -10.555 7.191 1.472 1.00 0.00 C ATOM 759 O LEU A 53 -10.182 7.641 0.389 1.00 0.00 O ATOM 760 CB LEU A 53 -10.751 4.737 1.917 1.00 0.00 C ATOM 761 CG LEU A 53 -10.015 3.418 1.684 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.381 3.397 0.302 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.961 3.198 2.760 1.00 0.00 C ATOM 0 H LEU A 53 -9.655 5.366 4.085 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.922 5.815 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.373 4.631 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.423 4.908 1.076 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.739 2.605 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.862 2.450 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.157 3.507 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.670 4.218 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.447 2.254 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.240 4.015 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.441 3.167 3.738 1.00 0.00 H new ATOM 775 N GLN A 54 -11.557 7.717 2.169 1.00 0.00 N ATOM 776 CA GLN A 54 -12.293 8.881 1.689 1.00 0.00 C ATOM 777 C GLN A 54 -11.344 9.917 1.095 1.00 0.00 C ATOM 778 O GLN A 54 -11.564 10.412 -0.011 1.00 0.00 O ATOM 779 CB GLN A 54 -13.100 9.506 2.828 1.00 0.00 C ATOM 780 CG GLN A 54 -14.113 8.557 3.448 1.00 0.00 C ATOM 781 CD GLN A 54 -15.381 8.439 2.625 1.00 0.00 C ATOM 782 OE1 GLN A 54 -16.160 9.387 2.523 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.596 7.270 2.032 1.00 0.00 N ATOM 0 H GLN A 54 -11.878 7.356 3.067 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.977 8.550 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.414 9.849 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.622 10.386 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.662 7.571 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.365 8.905 4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.924 6.511 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.433 7.132 1.466 1.00 0.00 H new ATOM 792 N ASP A 55 -10.291 10.241 1.836 1.00 0.00 N ATOM 793 CA ASP A 55 -9.308 11.219 1.382 1.00 0.00 C ATOM 794 C ASP A 55 -8.589 10.725 0.130 1.00 0.00 C ATOM 795 O ASP A 55 -8.246 11.513 -0.753 1.00 0.00 O ATOM 796 CB ASP A 55 -8.292 11.504 2.489 1.00 0.00 C ATOM 797 CG ASP A 55 -8.808 12.504 3.504 1.00 0.00 C ATOM 798 OD1 ASP A 55 -10.001 12.423 3.863 1.00 0.00 O ATOM 799 OD2 ASP A 55 -8.019 13.369 3.940 1.00 0.00 O ATOM 0 H ASP A 55 -10.095 9.841 2.754 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.835 12.141 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.041 10.573 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.372 11.883 2.045 1.00 0.00 H new ATOM 804 N LEU A 56 -8.364 9.418 0.060 1.00 0.00 N ATOM 805 CA LEU A 56 -7.686 8.819 -1.084 1.00 0.00 C ATOM 806 C LEU A 56 -8.586 8.824 -2.316 1.00 0.00 C ATOM 807 O LEU A 56 -9.807 8.932 -2.205 1.00 0.00 O ATOM 808 CB LEU A 56 -7.259 7.387 -0.756 1.00 0.00 C ATOM 809 CG LEU A 56 -6.006 6.879 -1.471 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.828 7.804 -1.204 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.681 5.458 -1.033 1.00 0.00 C ATOM 0 H LEU A 56 -8.641 8.753 0.782 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.800 9.415 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.093 7.316 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.086 6.719 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.200 6.871 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.945 7.427 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.062 8.805 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.632 7.844 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.787 5.113 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.506 5.440 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.517 4.802 -1.276 1.00 0.00 H new ATOM 823 N LYS A 57 -7.974 8.704 -3.489 1.00 0.00 N ATOM 824 CA LYS A 57 -8.719 8.691 -4.743 1.00 0.00 C ATOM 825 C LYS A 57 -7.899 8.048 -5.856 1.00 0.00 C ATOM 826 O LYS A 57 -6.685 7.885 -5.732 1.00 0.00 O ATOM 827 CB LYS A 57 -9.111 10.116 -5.141 1.00 0.00 C ATOM 828 CG LYS A 57 -7.981 11.120 -4.999 1.00 0.00 C ATOM 829 CD LYS A 57 -8.194 12.330 -5.894 1.00 0.00 C ATOM 830 CE LYS A 57 -7.519 13.569 -5.326 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.127 13.988 -4.032 1.00 0.00 N ATOM 0 H LYS A 57 -6.964 8.614 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.623 8.100 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.456 10.114 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.951 10.438 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.908 11.443 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.034 10.642 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.799 12.123 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.262 12.516 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.457 13.370 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.595 14.385 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.997 15.012 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.143 13.766 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.666 13.479 -3.251 1.00 0.00 H new ATOM 845 N VAL A 58 -8.570 7.685 -6.945 1.00 0.00 N ATOM 846 CA VAL A 58 -7.902 7.063 -8.082 1.00 0.00 C ATOM 847 C VAL A 58 -7.112 8.089 -8.886 1.00 0.00 C ATOM 848 O VAL A 58 -7.644 9.124 -9.285 1.00 0.00 O ATOM 849 CB VAL A 58 -8.912 6.366 -9.013 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.265 6.029 -10.348 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.471 5.115 -8.351 1.00 0.00 C ATOM 0 H VAL A 58 -9.575 7.811 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.217 6.318 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.739 7.051 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.994 5.537 -10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.918 6.945 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.418 5.363 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.183 4.635 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.657 4.424 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.975 5.388 -7.424 1.00 0.00 H new ATOM 861 N GLY A 59 -5.837 7.795 -9.120 1.00 0.00 N ATOM 862 CA GLY A 59 -4.993 8.703 -9.875 1.00 0.00 C ATOM 863 C GLY A 59 -4.102 9.544 -8.983 1.00 0.00 C ATOM 864 O GLY A 59 -3.610 10.593 -9.398 1.00 0.00 O ATOM 0 H GLY A 59 -5.373 6.945 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.374 8.130 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.620 9.359 -10.479 1.00 0.00 H new ATOM 868 N ASP A 60 -3.894 9.084 -7.754 1.00 0.00 N ATOM 869 CA ASP A 60 -3.057 9.802 -6.801 1.00 0.00 C ATOM 870 C ASP A 60 -1.861 8.953 -6.381 1.00 0.00 C ATOM 871 O ASP A 60 -1.926 7.723 -6.389 1.00 0.00 O ATOM 872 CB ASP A 60 -3.873 10.198 -5.570 1.00 0.00 C ATOM 873 CG ASP A 60 -4.577 11.529 -5.746 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.249 11.712 -6.782 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.454 12.389 -4.848 1.00 0.00 O ATOM 0 H ASP A 60 -4.294 8.217 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.687 10.704 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.612 9.424 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.215 10.250 -4.703 1.00 0.00 H new ATOM 880 N ASP A 61 -0.769 9.616 -6.017 1.00 0.00 N ATOM 881 CA ASP A 61 0.442 8.923 -5.595 1.00 0.00 C ATOM 882 C ASP A 61 0.328 8.465 -4.144 1.00 0.00 C ATOM 883 O ASP A 61 -0.243 9.162 -3.305 1.00 0.00 O ATOM 884 CB ASP A 61 1.661 9.832 -5.761 1.00 0.00 C ATOM 885 CG ASP A 61 2.289 9.712 -7.136 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.537 9.693 -8.132 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.533 9.636 -7.215 1.00 0.00 O ATOM 0 H ASP A 61 -0.698 10.633 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 61 0.566 8.044 -6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.365 10.867 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.403 9.582 -5.003 1.00 0.00 H new ATOM 892 N VAL A 62 0.875 7.289 -3.855 1.00 0.00 N ATOM 893 CA VAL A 62 0.835 6.738 -2.506 1.00 0.00 C ATOM 894 C VAL A 62 1.983 5.760 -2.277 1.00 0.00 C ATOM 895 O VAL A 62 2.354 5.004 -3.174 1.00 0.00 O ATOM 896 CB VAL A 62 -0.499 6.019 -2.232 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.566 7.016 -1.807 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.945 5.240 -3.460 1.00 0.00 C ATOM 0 H VAL A 62 1.351 6.699 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 62 0.934 7.578 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.350 5.313 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.501 6.489 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.246 7.526 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.716 7.749 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.889 4.738 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.077 5.925 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.188 4.498 -3.715 1.00 0.00 H new ATOM 908 N GLU A 63 2.539 5.781 -1.070 1.00 0.00 N ATOM 909 CA GLU A 63 3.645 4.896 -0.724 1.00 0.00 C ATOM 910 C GLU A 63 3.147 3.680 0.050 1.00 0.00 C ATOM 911 O GLU A 63 2.422 3.812 1.037 1.00 0.00 O ATOM 912 CB GLU A 63 4.689 5.648 0.104 1.00 0.00 C ATOM 913 CG GLU A 63 6.028 4.934 0.189 1.00 0.00 C ATOM 914 CD GLU A 63 6.805 5.299 1.439 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.179 5.423 2.513 1.00 0.00 O ATOM 916 OE2 GLU A 63 8.040 5.460 1.343 1.00 0.00 O ATOM 0 H GLU A 63 2.242 6.400 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 63 4.105 4.552 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.841 6.637 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.302 5.798 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.863 3.857 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.624 5.181 -0.690 1.00 0.00 H new ATOM 923 N PHE A 64 3.540 2.494 -0.405 1.00 0.00 N ATOM 924 CA PHE A 64 3.132 1.253 0.243 1.00 0.00 C ATOM 925 C PHE A 64 4.297 0.271 0.318 1.00 0.00 C ATOM 926 O PHE A 64 5.386 0.544 -0.187 1.00 0.00 O ATOM 927 CB PHE A 64 1.963 0.619 -0.513 1.00 0.00 C ATOM 928 CG PHE A 64 2.167 0.568 -2.000 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.846 1.657 -2.794 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.680 -0.569 -2.604 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.033 1.614 -4.163 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.870 -0.617 -3.972 1.00 0.00 C ATOM 933 CZ PHE A 64 2.545 0.475 -4.753 1.00 0.00 C ATOM 0 H PHE A 64 4.140 2.367 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 64 2.813 1.489 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.807 -0.394 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.054 1.181 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.445 2.550 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.934 -1.427 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.779 2.470 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.273 -1.508 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.691 0.438 -5.822 1.00 0.00 H new ATOM 943 N GLU A 65 4.059 -0.874 0.951 1.00 0.00 N ATOM 944 CA GLU A 65 5.089 -1.896 1.093 1.00 0.00 C ATOM 945 C GLU A 65 4.618 -3.227 0.514 1.00 0.00 C ATOM 946 O GLU A 65 3.630 -3.802 0.973 1.00 0.00 O ATOM 947 CB GLU A 65 5.464 -2.072 2.566 1.00 0.00 C ATOM 948 CG GLU A 65 5.968 -3.465 2.903 1.00 0.00 C ATOM 949 CD GLU A 65 6.911 -3.473 4.091 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.609 -2.459 4.300 1.00 0.00 O ATOM 951 OE2 GLU A 65 6.951 -4.493 4.811 1.00 0.00 O ATOM 0 H GLU A 65 3.163 -1.117 1.373 1.00 0.00 H new ATOM 0 HA GLU A 65 5.968 -1.569 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.232 -1.344 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.593 -1.851 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.118 -4.114 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.479 -3.882 2.035 1.00 0.00 H new ATOM 958 N VAL A 66 5.331 -3.711 -0.497 1.00 0.00 N ATOM 959 CA VAL A 66 4.987 -4.975 -1.139 1.00 0.00 C ATOM 960 C VAL A 66 5.291 -6.156 -0.225 1.00 0.00 C ATOM 961 O VAL A 66 6.427 -6.341 0.212 1.00 0.00 O ATOM 962 CB VAL A 66 5.750 -5.156 -2.465 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.545 -6.561 -3.012 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.311 -4.111 -3.479 1.00 0.00 C ATOM 0 H VAL A 66 6.150 -3.248 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 66 3.917 -4.945 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 66 6.814 -5.018 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.091 -6.670 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.913 -7.290 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.483 -6.731 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.860 -4.254 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.243 -4.214 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.515 -3.115 -3.086 1.00 0.00 H new ATOM 974 N SER A 67 4.267 -6.955 0.060 1.00 0.00 N ATOM 975 CA SER A 67 4.423 -8.118 0.925 1.00 0.00 C ATOM 976 C SER A 67 3.794 -9.355 0.292 1.00 0.00 C ATOM 977 O SER A 67 3.131 -9.268 -0.742 1.00 0.00 O ATOM 978 CB SER A 67 3.789 -7.853 2.292 1.00 0.00 C ATOM 979 OG SER A 67 4.396 -8.644 3.298 1.00 0.00 O ATOM 0 H SER A 67 3.321 -6.818 -0.296 1.00 0.00 H new ATOM 0 HA SER A 67 5.490 -8.301 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.890 -6.798 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.722 -8.070 2.249 1.00 0.00 H new ATOM 0 HG SER A 67 3.974 -8.455 4.162 1.00 0.00 H new ATOM 985 N SER A 68 4.006 -10.507 0.920 1.00 0.00 N ATOM 986 CA SER A 68 3.463 -11.763 0.417 1.00 0.00 C ATOM 987 C SER A 68 2.281 -12.223 1.266 1.00 0.00 C ATOM 988 O SER A 68 2.362 -12.260 2.494 1.00 0.00 O ATOM 989 CB SER A 68 4.547 -12.843 0.403 1.00 0.00 C ATOM 990 OG SER A 68 5.584 -12.512 -0.504 1.00 0.00 O ATOM 0 H SER A 68 4.550 -10.596 1.778 1.00 0.00 H new ATOM 0 HA SER A 68 3.113 -11.597 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.960 -12.962 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.107 -13.801 0.124 1.00 0.00 H new ATOM 0 HG SER A 68 6.265 -13.217 -0.493 1.00 0.00 H new ATOM 996 N ASP A 69 1.185 -12.573 0.602 1.00 0.00 N ATOM 997 CA ASP A 69 -0.014 -13.032 1.294 1.00 0.00 C ATOM 998 C ASP A 69 0.232 -14.376 1.974 1.00 0.00 C ATOM 999 O ASP A 69 1.219 -15.054 1.691 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.182 -13.149 0.314 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.528 -13.128 1.011 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.845 -12.109 1.659 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.264 -14.131 0.908 1.00 0.00 O ATOM 0 H ASP A 69 1.102 -12.548 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.265 -12.298 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.135 -12.329 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.085 -14.074 -0.254 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.672 -14.753 2.872 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.552 -16.014 3.594 1.00 0.00 C ATOM 1010 C ARG A 70 -1.537 -17.046 3.053 1.00 0.00 C ATOM 1011 O ARG A 70 -1.608 -18.170 3.549 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.796 -15.795 5.089 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.065 -14.589 5.655 1.00 0.00 C ATOM 1014 CD ARG A 70 1.437 -14.820 5.706 1.00 0.00 C ATOM 1015 NE ARG A 70 2.085 -14.494 4.439 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.298 -14.919 4.103 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.990 -15.684 4.935 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.820 -14.580 2.931 1.00 0.00 N ATOM 0 H ARG A 70 -1.496 -14.203 3.117 1.00 0.00 H new ATOM 0 HA ARG A 70 0.460 -16.392 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.866 -15.674 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.485 -16.686 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.279 -13.713 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.435 -14.375 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.870 -14.213 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.635 -15.862 5.957 1.00 0.00 H new ATOM 0 HE ARG A 70 1.579 -13.908 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.591 -15.948 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.921 -16.009 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.290 -13.993 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.751 -14.907 2.674 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.295 -16.655 2.033 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.277 -17.546 1.426 1.00 0.00 C ATOM 1034 C ARG A 71 -2.933 -17.818 -0.035 1.00 0.00 C ATOM 1035 O ARG A 71 -3.046 -18.948 -0.511 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.678 -16.939 1.527 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.098 -16.610 2.950 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.649 -17.833 3.666 1.00 0.00 C ATOM 1039 NE ARG A 71 -4.586 -18.664 4.226 1.00 0.00 N ATOM 1040 CZ ARG A 71 -3.791 -18.272 5.215 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -3.936 -17.068 5.750 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -2.847 -19.086 5.671 1.00 0.00 N ATOM 0 H ARG A 71 -2.248 -15.728 1.610 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.258 -18.491 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.715 -16.030 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.398 -17.635 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.243 -16.219 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.854 -15.825 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.319 -17.514 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.243 -18.425 2.969 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.447 -19.596 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.660 -16.439 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.324 -16.770 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.732 -20.013 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.237 -18.784 6.431 1.00 0.00 H new ATOM 1056 N THR A 72 -2.513 -16.774 -0.744 1.00 0.00 N ATOM 1057 CA THR A 72 -2.154 -16.900 -2.151 1.00 0.00 C ATOM 1058 C THR A 72 -0.672 -16.619 -2.368 1.00 0.00 C ATOM 1059 O THR A 72 -0.127 -16.897 -3.435 1.00 0.00 O ATOM 1060 CB THR A 72 -2.981 -15.942 -3.029 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.666 -14.584 -2.703 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.471 -16.183 -2.838 1.00 0.00 C ATOM 0 H THR A 72 -2.413 -15.832 -0.366 1.00 0.00 H new ATOM 0 HA THR A 72 -2.372 -17.928 -2.442 1.00 0.00 H new ATOM 0 HB THR A 72 -2.730 -16.132 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.195 -13.981 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.035 -15.495 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.712 -17.209 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.735 -16.018 -1.794 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.024 -16.065 -1.347 1.00 0.00 N ATOM 1071 CA GLY A 73 1.391 -15.756 -1.447 1.00 0.00 C ATOM 1072 C GLY A 73 1.689 -14.756 -2.546 1.00 0.00 C ATOM 1073 O GLY A 73 2.840 -14.595 -2.955 1.00 0.00 O ATOM 0 H GLY A 73 -0.453 -15.825 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.741 -15.359 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.948 -16.674 -1.634 1.00 0.00 H new ATOM 1077 N LYS A 74 0.651 -14.082 -3.029 1.00 0.00 N ATOM 1078 CA LYS A 74 0.806 -13.092 -4.089 1.00 0.00 C ATOM 1079 C LYS A 74 1.282 -11.759 -3.522 1.00 0.00 C ATOM 1080 O LYS A 74 1.034 -11.425 -2.363 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.518 -12.899 -4.832 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.064 -14.178 -5.444 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.542 -14.388 -6.856 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.487 -15.864 -7.216 1.00 0.00 C ATOM 1085 NZ LYS A 74 -0.074 -16.075 -8.631 1.00 0.00 N ATOM 0 H LYS A 74 -0.308 -14.203 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 74 1.558 -13.459 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.257 -12.492 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.378 -12.160 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.785 -15.028 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.153 -14.139 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.184 -13.863 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.454 -13.953 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.213 -16.373 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.466 -16.314 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.049 -17.094 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.756 -15.611 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.871 -15.668 -8.781 1.00 0.00 H new ATOM 1099 N PRO A 75 1.982 -10.976 -4.357 1.00 0.00 N ATOM 1100 CA PRO A 75 2.505 -9.665 -3.961 1.00 0.00 C ATOM 1101 C PRO A 75 1.399 -8.634 -3.765 1.00 0.00 C ATOM 1102 O PRO A 75 0.854 -8.103 -4.733 1.00 0.00 O ATOM 1103 CB PRO A 75 3.401 -9.271 -5.138 1.00 0.00 C ATOM 1104 CG PRO A 75 2.846 -10.015 -6.303 1.00 0.00 C ATOM 1105 CD PRO A 75 2.315 -11.310 -5.752 1.00 0.00 C ATOM 0 HA PRO A 75 3.027 -9.706 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.379 -8.195 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.440 -9.543 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.055 -9.444 -6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.616 -10.196 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.439 -11.652 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.058 -12.105 -5.808 1.00 0.00 H new ATOM 1113 N ILE A 76 1.072 -8.356 -2.507 1.00 0.00 N ATOM 1114 CA ILE A 76 0.032 -7.387 -2.185 1.00 0.00 C ATOM 1115 C ILE A 76 0.609 -6.187 -1.441 1.00 0.00 C ATOM 1116 O ILE A 76 1.688 -6.268 -0.855 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.082 -8.020 -1.330 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.497 -8.603 -0.042 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.811 -9.095 -2.122 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.493 -8.683 1.092 1.00 0.00 C ATOM 0 H ILE A 76 1.512 -8.788 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.393 -7.054 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.800 -7.245 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.112 -9.602 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.350 -7.993 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.595 -9.533 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.256 -8.652 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.105 -9.871 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.009 -9.106 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.860 -7.684 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.329 -9.318 0.798 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.119 -5.076 -1.468 1.00 0.00 N ATOM 1133 CA ALA A 77 0.318 -3.860 -0.792 1.00 0.00 C ATOM 1134 C ALA A 77 -0.195 -3.814 0.643 1.00 0.00 C ATOM 1135 O ALA A 77 -1.299 -4.276 0.933 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.147 -2.633 -1.561 1.00 0.00 C ATOM 0 H ALA A 77 -1.014 -4.992 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 77 1.408 -3.864 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.186 -1.732 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.274 -2.652 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.235 -2.634 -1.624 1.00 0.00 H new ATOM 1142 N VAL A 78 0.612 -3.254 1.538 1.00 0.00 N ATOM 1143 CA VAL A 78 0.239 -3.148 2.943 1.00 0.00 C ATOM 1144 C VAL A 78 0.768 -1.856 3.556 1.00 0.00 C ATOM 1145 O VAL A 78 1.680 -1.228 3.017 1.00 0.00 O ATOM 1146 CB VAL A 78 0.768 -4.344 3.757 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.115 -5.637 3.293 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.283 -4.433 3.648 1.00 0.00 C ATOM 0 H VAL A 78 1.529 -2.867 1.315 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.850 -3.146 2.982 1.00 0.00 H new ATOM 0 HB VAL A 78 0.510 -4.191 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.501 -6.471 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.964 -5.568 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.340 -5.800 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.640 -5.283 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.566 -4.563 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.730 -3.517 4.034 1.00 0.00 H new ATOM 1158 N LYS A 79 0.190 -1.464 4.686 1.00 0.00 N ATOM 1159 CA LYS A 79 0.603 -0.247 5.375 1.00 0.00 C ATOM 1160 C LYS A 79 0.707 0.922 4.401 1.00 0.00 C ATOM 1161 O LYS A 79 1.714 1.630 4.370 1.00 0.00 O ATOM 1162 CB LYS A 79 1.948 -0.464 6.074 1.00 0.00 C ATOM 1163 CG LYS A 79 2.011 -1.744 6.888 1.00 0.00 C ATOM 1164 CD LYS A 79 1.198 -1.632 8.168 1.00 0.00 C ATOM 1165 CE LYS A 79 -0.239 -2.082 7.957 1.00 0.00 C ATOM 1166 NZ LYS A 79 -1.165 -1.462 8.944 1.00 0.00 N ATOM 0 H LYS A 79 -0.566 -1.972 5.145 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.154 -0.008 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.739 -0.481 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.148 0.384 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.637 -2.575 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.049 -1.969 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.659 -2.238 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.209 -0.600 8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.557 -1.821 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.295 -3.167 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.134 -1.794 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.877 -1.731 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.131 -0.427 8.849 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.340 1.119 3.607 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.367 2.204 2.632 1.00 0.00 C ATOM 1182 C LEU A 80 -0.292 3.561 3.325 1.00 0.00 C ATOM 1183 O LEU A 80 -0.669 3.697 4.488 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.637 2.121 1.783 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.454 2.329 0.280 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.309 0.992 -0.430 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.622 3.117 -0.296 1.00 0.00 C ATOM 0 H LEU A 80 -1.181 0.542 3.619 1.00 0.00 H new ATOM 0 HA LEU A 80 0.503 2.099 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.093 1.144 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.344 2.865 2.149 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.541 2.903 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.180 1.160 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.440 0.464 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.204 0.392 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.475 3.255 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.549 2.570 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.680 4.090 0.191 1.00 0.00 H new ATOM 1199 N VAL A 81 0.196 4.563 2.600 1.00 0.00 N ATOM 1200 CA VAL A 81 0.318 5.910 3.144 1.00 0.00 C ATOM 1201 C VAL A 81 0.459 6.941 2.030 1.00 0.00 C ATOM 1202 O VAL A 81 1.303 6.804 1.144 1.00 0.00 O ATOM 1203 CB VAL A 81 1.527 6.026 4.092 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.150 5.576 5.495 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.700 5.217 3.559 1.00 0.00 C ATOM 0 H VAL A 81 0.513 4.467 1.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.595 6.108 3.706 1.00 0.00 H new ATOM 0 HB VAL A 81 1.830 7.072 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.016 5.665 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.343 6.203 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.821 4.537 5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.546 5.310 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.412 4.169 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.984 5.592 2.576 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.374 7.975 2.080 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.343 9.033 1.076 1.00 0.00 C ATOM 1217 C LYS A 82 0.957 9.826 1.162 1.00 0.00 C ATOM 1218 O LYS A 82 1.350 10.277 2.238 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.538 9.971 1.257 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.019 10.601 -0.039 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.503 10.923 0.014 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.876 11.998 -0.995 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.334 11.988 -1.302 1.00 0.00 N ATOM 0 H LYS A 82 -1.079 8.103 2.805 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.400 8.568 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.360 9.415 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.266 10.762 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.455 11.513 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.823 9.923 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.080 10.020 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.769 11.256 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.594 12.976 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.310 11.846 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.572 12.816 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.574 11.119 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.876 12.023 -0.415 1.00 0.00 H new ATOM 1237 N ILE A 83 1.619 9.993 0.022 1.00 0.00 N ATOM 1238 CA ILE A 83 2.873 10.734 -0.031 1.00 0.00 C ATOM 1239 C ILE A 83 2.648 12.217 0.243 1.00 0.00 C ATOM 1240 O ILE A 83 3.198 12.774 1.194 1.00 0.00 O ATOM 1241 CB ILE A 83 3.563 10.576 -1.399 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.464 9.127 -1.880 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.018 11.013 -1.312 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.533 8.749 -2.882 1.00 0.00 C ATOM 0 H ILE A 83 1.308 9.625 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 83 3.518 10.318 0.743 1.00 0.00 H new ATOM 0 HB ILE A 83 3.055 11.214 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.532 8.461 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.484 8.968 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.492 10.895 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.066 12.059 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.539 10.398 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.402 7.709 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.452 9.390 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.517 8.876 -2.430 1.00 0.00 H new