USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 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 40 GLN :FLIP amide:sc= -0.499 F(o=-4!,f=0.53) USER MOD Set 1.2: A 44 SER OG : rot 86:sc= 1.03 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.9 (180deg=1.39) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.22) USER MOD Single : A 21 SER OG : rot 180:sc= -0.278 USER MOD Single : A 24 SER OG : rot 65:sc= -0.124 USER MOD Single : A 27 ASN : amide:sc= -2.66! C(o=-2.7!,f=-13!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 148:sc= -0.21 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 89:sc= 1.25 USER MOD Single : A 38 ASN : amide:sc= -8.24! C(o=-8.2!,f=-11!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.336 F(o=-2.5!,f=-0.34) USER MOD Single : A 67 MET CE :methyl 153:sc= 0 (180deg=-0.85) USER MOD Single : A 70 HIS : +bothHN:sc= -1.11! C(o=-1.1!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 202 N VAL A 14 -6.246 2.611 -2.254 1.00 0.00 N ATOM 203 CA VAL A 14 -5.439 2.500 -1.058 1.00 0.00 C ATOM 204 C VAL A 14 -3.969 2.513 -1.440 1.00 0.00 C ATOM 205 O VAL A 14 -3.492 1.610 -2.129 1.00 0.00 O ATOM 206 CB VAL A 14 -5.783 1.201 -0.300 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.833 0.966 0.861 1.00 0.00 C ATOM 208 CG2 VAL A 14 -7.224 1.250 0.187 1.00 0.00 C ATOM 0 HA VAL A 14 -5.648 3.345 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.669 0.365 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.105 0.043 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.813 0.886 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.899 1.800 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.459 0.329 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.353 2.101 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.893 1.355 -0.667 1.00 0.00 H new ATOM 218 N VAL A 15 -3.256 3.548 -1.026 1.00 0.00 N ATOM 219 CA VAL A 15 -1.873 3.702 -1.432 1.00 0.00 C ATOM 220 C VAL A 15 -0.932 2.937 -0.511 1.00 0.00 C ATOM 221 O VAL A 15 -0.999 3.032 0.719 1.00 0.00 O ATOM 222 CB VAL A 15 -1.458 5.191 -1.536 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.347 5.856 -0.187 1.00 0.00 C ATOM 224 CG2 VAL A 15 -0.155 5.343 -2.302 1.00 0.00 C ATOM 0 H VAL A 15 -3.609 4.285 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.790 3.272 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.254 5.695 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.054 6.898 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.310 5.811 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.597 5.340 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.112 6.398 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.635 4.796 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.276 4.944 -3.309 1.00 0.00 H new ATOM 234 N LEU A 16 -0.074 2.157 -1.132 1.00 0.00 N ATOM 235 CA LEU A 16 0.918 1.374 -0.439 1.00 0.00 C ATOM 236 C LEU A 16 2.267 2.049 -0.607 1.00 0.00 C ATOM 237 O LEU A 16 2.720 2.268 -1.724 1.00 0.00 O ATOM 238 CB LEU A 16 0.978 -0.038 -1.039 1.00 0.00 C ATOM 239 CG LEU A 16 1.434 -1.160 -0.098 1.00 0.00 C ATOM 240 CD1 LEU A 16 1.772 -2.410 -0.885 1.00 0.00 C ATOM 241 CD2 LEU A 16 2.630 -0.746 0.734 1.00 0.00 C ATOM 0 H LEU A 16 -0.048 2.050 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 16 0.660 1.301 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.012 -0.291 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.651 -0.017 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 16 0.605 -1.369 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.093 -3.195 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.891 -2.744 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.575 -2.191 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.921 -1.569 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.461 -0.493 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.369 0.122 1.339 1.00 0.00 H new ATOM 253 N LYS A 17 2.908 2.373 0.492 1.00 0.00 N ATOM 254 CA LYS A 17 4.226 2.956 0.439 1.00 0.00 C ATOM 255 C LYS A 17 5.251 1.897 0.794 1.00 0.00 C ATOM 256 O LYS A 17 5.087 1.152 1.760 1.00 0.00 O ATOM 257 CB LYS A 17 4.343 4.161 1.379 1.00 0.00 C ATOM 258 CG LYS A 17 3.169 5.125 1.291 1.00 0.00 C ATOM 259 CD LYS A 17 2.175 4.872 2.412 1.00 0.00 C ATOM 260 CE LYS A 17 0.854 5.578 2.154 1.00 0.00 C ATOM 261 NZ LYS A 17 -0.304 4.858 2.760 1.00 0.00 N ATOM 0 H LYS A 17 2.537 2.242 1.433 1.00 0.00 H new ATOM 0 HA LYS A 17 4.411 3.318 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.431 3.803 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.262 4.701 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.531 6.152 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.673 5.013 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.003 3.800 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.595 5.217 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.901 6.589 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.699 5.671 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.136 5.482 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.515 4.007 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.070 4.583 3.735 1.00 0.00 H new ATOM 275 N LEU A 18 6.300 1.853 0.008 1.00 0.00 N ATOM 276 CA LEU A 18 7.326 0.832 0.110 1.00 0.00 C ATOM 277 C LEU A 18 8.510 1.411 0.869 1.00 0.00 C ATOM 278 O LEU A 18 9.149 2.347 0.398 1.00 0.00 O ATOM 279 CB LEU A 18 7.704 0.435 -1.327 1.00 0.00 C ATOM 280 CG LEU A 18 8.959 -0.411 -1.525 1.00 0.00 C ATOM 281 CD1 LEU A 18 8.734 -1.850 -1.105 1.00 0.00 C ATOM 282 CD2 LEU A 18 9.391 -0.350 -2.983 1.00 0.00 C ATOM 0 H LEU A 18 6.471 2.533 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 18 6.987 -0.052 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.863 -0.109 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.822 1.350 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 18 9.747 -0.003 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.649 -2.422 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.460 -1.883 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.931 -2.282 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.287 -0.955 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.591 -0.735 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.604 0.683 -3.256 1.00 0.00 H new ATOM 294 N TRP A 19 8.760 0.889 2.067 1.00 0.00 N ATOM 295 CA TRP A 19 9.746 1.477 2.966 1.00 0.00 C ATOM 296 C TRP A 19 11.023 0.642 3.011 1.00 0.00 C ATOM 297 O TRP A 19 11.228 -0.256 2.203 1.00 0.00 O ATOM 298 CB TRP A 19 9.192 1.598 4.392 1.00 0.00 C ATOM 299 CG TRP A 19 7.822 2.190 4.499 1.00 0.00 C ATOM 300 CD1 TRP A 19 6.684 1.520 4.812 1.00 0.00 C ATOM 301 CD2 TRP A 19 7.438 3.557 4.305 1.00 0.00 C ATOM 302 NE1 TRP A 19 5.630 2.384 4.884 1.00 0.00 N ATOM 303 CE2 TRP A 19 6.064 3.636 4.563 1.00 0.00 C ATOM 304 CE3 TRP A 19 8.118 4.721 3.953 1.00 0.00 C ATOM 305 CZ2 TRP A 19 5.358 4.825 4.487 1.00 0.00 C ATOM 306 CZ3 TRP A 19 7.407 5.907 3.861 1.00 0.00 C ATOM 307 CH2 TRP A 19 6.040 5.950 4.134 1.00 0.00 C ATOM 0 H TRP A 19 8.293 0.061 2.436 1.00 0.00 H new ATOM 0 HA TRP A 19 9.974 2.469 2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.177 0.606 4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.879 2.206 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.621 0.455 4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.674 2.134 5.137 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.180 4.699 3.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.300 4.859 4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.920 6.813 3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.514 6.890 4.064 1.00 0.00 H new ATOM 318 N LYS A 20 11.878 0.955 3.966 1.00 0.00 N ATOM 319 CA LYS A 20 13.141 0.253 4.137 1.00 0.00 C ATOM 320 C LYS A 20 12.953 -1.175 4.649 1.00 0.00 C ATOM 321 O LYS A 20 13.515 -2.118 4.092 1.00 0.00 O ATOM 322 CB LYS A 20 14.050 1.061 5.076 1.00 0.00 C ATOM 323 CG LYS A 20 13.294 1.840 6.151 1.00 0.00 C ATOM 324 CD LYS A 20 13.162 1.066 7.452 1.00 0.00 C ATOM 325 CE LYS A 20 14.463 1.074 8.240 1.00 0.00 C ATOM 326 NZ LYS A 20 14.890 2.456 8.586 1.00 0.00 N ATOM 0 H LYS A 20 11.720 1.700 4.644 1.00 0.00 H new ATOM 0 HA LYS A 20 13.613 0.165 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.752 0.382 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.640 1.759 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.810 2.780 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.300 2.092 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.367 1.502 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.872 0.038 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.338 0.493 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.245 0.587 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.435 2.439 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.483 2.838 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.051 3.058 8.707 1.00 0.00 H new ATOM 340 N SER A 21 12.146 -1.343 5.684 1.00 0.00 N ATOM 341 CA SER A 21 12.023 -2.643 6.331 1.00 0.00 C ATOM 342 C SER A 21 10.606 -3.180 6.236 1.00 0.00 C ATOM 343 O SER A 21 10.316 -4.275 6.717 1.00 0.00 O ATOM 344 CB SER A 21 12.438 -2.546 7.798 1.00 0.00 C ATOM 345 OG SER A 21 13.764 -2.062 7.929 1.00 0.00 O ATOM 0 H SER A 21 11.571 -0.606 6.092 1.00 0.00 H new ATOM 0 HA SER A 21 12.686 -3.334 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.753 -1.884 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.359 -3.527 8.266 1.00 0.00 H new ATOM 0 HG SER A 21 14.001 -2.009 8.879 1.00 0.00 H new ATOM 351 N GLY A 22 9.729 -2.427 5.602 1.00 0.00 N ATOM 352 CA GLY A 22 8.351 -2.836 5.522 1.00 0.00 C ATOM 353 C GLY A 22 7.559 -1.978 4.576 1.00 0.00 C ATOM 354 O GLY A 22 8.127 -1.219 3.799 1.00 0.00 O ATOM 0 H GLY A 22 9.946 -1.543 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.300 -3.875 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.902 -2.790 6.514 1.00 0.00 H new ATOM 358 N PHE A 23 6.252 -2.083 4.654 1.00 0.00 N ATOM 359 CA PHE A 23 5.376 -1.366 3.753 1.00 0.00 C ATOM 360 C PHE A 23 4.111 -0.936 4.486 1.00 0.00 C ATOM 361 O PHE A 23 3.675 -1.592 5.432 1.00 0.00 O ATOM 362 CB PHE A 23 5.039 -2.256 2.553 1.00 0.00 C ATOM 363 CG PHE A 23 4.369 -3.542 2.940 1.00 0.00 C ATOM 364 CD1 PHE A 23 5.124 -4.666 3.227 1.00 0.00 C ATOM 365 CD2 PHE A 23 2.990 -3.626 3.029 1.00 0.00 C ATOM 366 CE1 PHE A 23 4.518 -5.847 3.593 1.00 0.00 C ATOM 367 CE2 PHE A 23 2.382 -4.806 3.394 1.00 0.00 C ATOM 368 CZ PHE A 23 3.146 -5.917 3.676 1.00 0.00 C ATOM 0 H PHE A 23 5.768 -2.664 5.339 1.00 0.00 H new ATOM 0 HA PHE A 23 5.878 -0.469 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.389 -1.706 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.955 -2.481 2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.201 -4.616 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.386 -2.758 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.118 -6.717 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.305 -4.861 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.669 -6.843 3.962 1.00 0.00 H new ATOM 378 N SER A 24 3.545 0.180 4.067 1.00 0.00 N ATOM 379 CA SER A 24 2.321 0.685 4.663 1.00 0.00 C ATOM 380 C SER A 24 1.327 1.072 3.595 1.00 0.00 C ATOM 381 O SER A 24 1.625 1.855 2.701 1.00 0.00 O ATOM 382 CB SER A 24 2.619 1.898 5.539 1.00 0.00 C ATOM 383 OG SER A 24 1.432 2.559 5.941 1.00 0.00 O ATOM 0 H SER A 24 3.915 0.757 3.312 1.00 0.00 H new ATOM 0 HA SER A 24 1.893 -0.108 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.176 1.582 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.256 2.594 4.993 1.00 0.00 H new ATOM 0 HG SER A 24 0.903 1.963 6.511 1.00 0.00 H new ATOM 389 N LEU A 25 0.144 0.535 3.715 1.00 0.00 N ATOM 390 CA LEU A 25 -0.934 0.854 2.820 1.00 0.00 C ATOM 391 C LEU A 25 -1.977 1.599 3.623 1.00 0.00 C ATOM 392 O LEU A 25 -1.980 1.507 4.845 1.00 0.00 O ATOM 393 CB LEU A 25 -1.496 -0.404 2.132 1.00 0.00 C ATOM 394 CG LEU A 25 -1.464 -1.725 2.922 1.00 0.00 C ATOM 395 CD1 LEU A 25 -2.290 -2.763 2.190 1.00 0.00 C ATOM 396 CD2 LEU A 25 -0.043 -2.250 3.086 1.00 0.00 C ATOM 0 H LEU A 25 -0.101 -0.140 4.440 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.583 1.485 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.531 -0.202 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.944 -0.554 1.204 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.873 -1.533 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.271 -3.701 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.319 -2.414 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.875 -2.922 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.063 -3.183 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.395 -2.428 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.557 -1.515 3.623 1.00 0.00 H new ATOM 408 N ASP A 26 -2.814 2.377 2.940 1.00 0.00 N ATOM 409 CA ASP A 26 -3.683 3.373 3.587 1.00 0.00 C ATOM 410 C ASP A 26 -4.539 2.810 4.728 1.00 0.00 C ATOM 411 O ASP A 26 -5.101 3.570 5.516 1.00 0.00 O ATOM 412 CB ASP A 26 -4.587 4.052 2.566 1.00 0.00 C ATOM 413 CG ASP A 26 -3.864 5.159 1.843 1.00 0.00 C ATOM 414 OD1 ASP A 26 -2.875 5.688 2.404 1.00 0.00 O ATOM 415 OD2 ASP A 26 -4.266 5.498 0.711 1.00 0.00 O ATOM 0 H ASP A 26 -2.913 2.340 1.926 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.002 4.099 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.942 3.315 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.466 4.456 3.068 1.00 0.00 H new ATOM 420 N ASN A 27 -4.637 1.487 4.802 1.00 0.00 N ATOM 421 CA ASN A 27 -5.431 0.809 5.827 1.00 0.00 C ATOM 422 C ASN A 27 -4.623 0.534 7.098 1.00 0.00 C ATOM 423 O ASN A 27 -5.168 0.033 8.086 1.00 0.00 O ATOM 424 CB ASN A 27 -5.966 -0.514 5.271 1.00 0.00 C ATOM 425 CG ASN A 27 -4.860 -1.371 4.686 1.00 0.00 C ATOM 426 OD1 ASN A 27 -4.460 -1.170 3.545 1.00 0.00 O ATOM 427 ND2 ASN A 27 -4.372 -2.341 5.444 1.00 0.00 N ATOM 0 H ASN A 27 -4.169 0.852 4.155 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.255 1.471 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.470 -1.064 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.712 -0.310 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.638 -2.951 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.730 -2.478 6.389 1.00 0.00 H new ATOM 434 N GLY A 28 -3.332 0.848 7.081 1.00 0.00 N ATOM 435 CA GLY A 28 -2.498 0.578 8.238 1.00 0.00 C ATOM 436 C GLY A 28 -1.177 1.319 8.218 1.00 0.00 C ATOM 437 O GLY A 28 -1.017 2.319 7.515 1.00 0.00 O ATOM 0 H GLY A 28 -2.851 1.281 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.044 0.850 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.304 -0.493 8.294 1.00 0.00 H new ATOM 441 N GLU A 29 -0.223 0.807 8.983 1.00 0.00 N ATOM 442 CA GLU A 29 1.070 1.455 9.149 1.00 0.00 C ATOM 443 C GLU A 29 2.176 0.638 8.485 1.00 0.00 C ATOM 444 O GLU A 29 1.899 -0.349 7.803 1.00 0.00 O ATOM 445 CB GLU A 29 1.385 1.630 10.635 1.00 0.00 C ATOM 446 CG GLU A 29 0.325 2.398 11.408 1.00 0.00 C ATOM 447 CD GLU A 29 0.645 2.481 12.885 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.009 1.442 13.473 1.00 0.00 O ATOM 449 OE2 GLU A 29 0.549 3.580 13.467 1.00 0.00 O ATOM 0 H GLU A 29 -0.323 -0.065 9.503 1.00 0.00 H new ATOM 0 HA GLU A 29 1.022 2.433 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.508 0.646 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.339 2.148 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.237 3.405 10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.643 1.914 11.274 1.00 0.00 H new ATOM 456 N LEU A 30 3.422 1.075 8.671 1.00 0.00 N ATOM 457 CA LEU A 30 4.587 0.365 8.150 1.00 0.00 C ATOM 458 C LEU A 30 4.693 -0.999 8.829 1.00 0.00 C ATOM 459 O LEU A 30 5.174 -1.109 9.959 1.00 0.00 O ATOM 460 CB LEU A 30 5.853 1.227 8.391 1.00 0.00 C ATOM 461 CG LEU A 30 7.198 0.792 7.748 1.00 0.00 C ATOM 462 CD1 LEU A 30 8.363 1.587 8.319 1.00 0.00 C ATOM 463 CD2 LEU A 30 7.481 -0.683 7.900 1.00 0.00 C ATOM 0 H LEU A 30 3.650 1.926 9.184 1.00 0.00 H new ATOM 0 HA LEU A 30 4.488 0.198 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.634 2.236 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.009 1.288 9.468 1.00 0.00 H new ATOM 0 HG LEU A 30 7.094 1.001 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.291 1.260 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.211 2.648 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.423 1.423 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.435 -0.921 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.525 -0.938 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.687 -1.257 7.422 1.00 0.00 H new ATOM 475 N ARG A 31 4.218 -2.022 8.140 1.00 0.00 N ATOM 476 CA ARG A 31 4.374 -3.389 8.597 1.00 0.00 C ATOM 477 C ARG A 31 5.605 -3.999 7.930 1.00 0.00 C ATOM 478 O ARG A 31 5.748 -3.937 6.710 1.00 0.00 O ATOM 479 CB ARG A 31 3.131 -4.215 8.266 1.00 0.00 C ATOM 480 CG ARG A 31 1.834 -3.674 8.845 1.00 0.00 C ATOM 481 CD ARG A 31 0.770 -4.763 8.929 1.00 0.00 C ATOM 482 NE ARG A 31 -0.585 -4.208 9.009 1.00 0.00 N ATOM 483 CZ ARG A 31 -1.687 -4.876 8.662 1.00 0.00 C ATOM 484 NH1 ARG A 31 -1.602 -6.148 8.289 1.00 0.00 N ATOM 485 NH2 ARG A 31 -2.876 -4.279 8.713 1.00 0.00 N ATOM 0 H ARG A 31 3.718 -1.929 7.256 1.00 0.00 H new ATOM 0 HA ARG A 31 4.502 -3.393 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.031 -4.277 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.279 -5.231 8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.019 -3.265 9.838 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.471 -2.854 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.845 -5.410 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.958 -5.386 9.804 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.692 -3.253 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.695 -6.614 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.444 -6.659 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.947 -3.308 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.716 -4.792 8.447 1.00 0.00 H new ATOM 499 N SER A 32 6.491 -4.573 8.729 1.00 0.00 N ATOM 500 CA SER A 32 7.778 -5.041 8.229 1.00 0.00 C ATOM 501 C SER A 32 7.640 -6.320 7.394 1.00 0.00 C ATOM 502 O SER A 32 6.942 -7.250 7.795 1.00 0.00 O ATOM 503 CB SER A 32 8.730 -5.265 9.402 1.00 0.00 C ATOM 504 OG SER A 32 8.624 -4.213 10.351 1.00 0.00 O ATOM 0 H SER A 32 6.344 -4.727 9.727 1.00 0.00 H new ATOM 0 HA SER A 32 8.184 -4.274 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.504 -6.217 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.755 -5.328 9.036 1.00 0.00 H new ATOM 0 HG SER A 32 9.241 -4.379 11.094 1.00 0.00 H new ATOM 510 N TYR A 33 8.314 -6.348 6.238 1.00 0.00 N ATOM 511 CA TYR A 33 8.136 -7.401 5.223 1.00 0.00 C ATOM 512 C TYR A 33 8.122 -8.810 5.822 1.00 0.00 C ATOM 513 O TYR A 33 7.268 -9.629 5.475 1.00 0.00 O ATOM 514 CB TYR A 33 9.257 -7.334 4.175 1.00 0.00 C ATOM 515 CG TYR A 33 9.400 -5.996 3.480 1.00 0.00 C ATOM 516 CD1 TYR A 33 8.352 -5.445 2.751 1.00 0.00 C ATOM 517 CD2 TYR A 33 10.591 -5.282 3.555 1.00 0.00 C ATOM 518 CE1 TYR A 33 8.487 -4.227 2.117 1.00 0.00 C ATOM 519 CE2 TYR A 33 10.731 -4.061 2.924 1.00 0.00 C ATOM 520 CZ TYR A 33 9.676 -3.542 2.210 1.00 0.00 C ATOM 521 OH TYR A 33 9.805 -2.333 1.590 1.00 0.00 O ATOM 0 H TYR A 33 9.001 -5.641 5.977 1.00 0.00 H new ATOM 0 HA TYR A 33 7.165 -7.214 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.202 -7.579 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.077 -8.101 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.416 -5.980 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.420 -5.689 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.665 -3.814 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.662 -3.518 2.991 1.00 0.00 H new ATOM 0 HH TYR A 33 10.410 -1.763 2.108 1.00 0.00 H new ATOM 531 N GLN A 34 9.067 -9.065 6.725 1.00 0.00 N ATOM 532 CA GLN A 34 9.310 -10.406 7.268 1.00 0.00 C ATOM 533 C GLN A 34 8.087 -10.997 7.970 1.00 0.00 C ATOM 534 O GLN A 34 7.884 -12.213 7.952 1.00 0.00 O ATOM 535 CB GLN A 34 10.479 -10.355 8.250 1.00 0.00 C ATOM 536 CG GLN A 34 11.789 -9.923 7.610 1.00 0.00 C ATOM 537 CD GLN A 34 12.884 -9.665 8.628 1.00 0.00 C ATOM 538 OE1 GLN A 34 13.034 -8.548 9.122 1.00 0.00 O ATOM 539 NE2 GLN A 34 13.663 -10.690 8.938 1.00 0.00 N ATOM 0 H GLN A 34 9.688 -8.349 7.103 1.00 0.00 H new ATOM 0 HA GLN A 34 9.541 -11.054 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.234 -9.666 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.610 -11.340 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.120 -10.694 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.622 -9.018 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.505 -11.600 8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.421 -10.569 9.609 1.00 0.00 H new ATOM 548 N ASP A 35 7.290 -10.144 8.594 1.00 0.00 N ATOM 549 CA ASP A 35 6.147 -10.598 9.390 1.00 0.00 C ATOM 550 C ASP A 35 5.112 -11.327 8.528 1.00 0.00 C ATOM 551 O ASP A 35 4.724 -10.847 7.460 1.00 0.00 O ATOM 552 CB ASP A 35 5.496 -9.410 10.096 1.00 0.00 C ATOM 553 CG ASP A 35 4.399 -9.821 11.059 1.00 0.00 C ATOM 554 OD1 ASP A 35 3.245 -9.994 10.620 1.00 0.00 O ATOM 555 OD2 ASP A 35 4.686 -9.956 12.267 1.00 0.00 O ATOM 0 H ASP A 35 7.409 -9.131 8.568 1.00 0.00 H new ATOM 0 HA ASP A 35 6.518 -11.304 10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.260 -8.855 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.081 -8.733 9.349 1.00 0.00 H new ATOM 560 N PRO A 36 4.653 -12.504 8.999 1.00 0.00 N ATOM 561 CA PRO A 36 3.725 -13.379 8.257 1.00 0.00 C ATOM 562 C PRO A 36 2.395 -12.716 7.884 1.00 0.00 C ATOM 563 O PRO A 36 1.695 -13.194 6.991 1.00 0.00 O ATOM 564 CB PRO A 36 3.476 -14.542 9.223 1.00 0.00 C ATOM 565 CG PRO A 36 4.648 -14.537 10.138 1.00 0.00 C ATOM 566 CD PRO A 36 5.027 -13.095 10.298 1.00 0.00 C ATOM 0 HA PRO A 36 4.158 -13.666 7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.545 -14.406 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.396 -15.489 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.397 -14.986 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.473 -15.115 9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.491 -12.627 11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.091 -12.978 10.502 1.00 0.00 H new ATOM 574 N SER A 37 2.042 -11.619 8.546 1.00 0.00 N ATOM 575 CA SER A 37 0.794 -10.939 8.251 1.00 0.00 C ATOM 576 C SER A 37 0.978 -10.105 6.998 1.00 0.00 C ATOM 577 O SER A 37 0.042 -9.848 6.240 1.00 0.00 O ATOM 578 CB SER A 37 0.422 -10.024 9.411 1.00 0.00 C ATOM 579 OG SER A 37 0.665 -10.659 10.655 1.00 0.00 O ATOM 0 H SER A 37 2.599 -11.188 9.283 1.00 0.00 H new ATOM 0 HA SER A 37 0.002 -11.672 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.999 -9.101 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.630 -9.748 9.339 1.00 0.00 H new ATOM 0 HG SER A 37 1.585 -10.478 10.941 1.00 0.00 H new ATOM 585 N ASN A 38 2.218 -9.712 6.800 1.00 0.00 N ATOM 586 CA ASN A 38 2.594 -8.779 5.756 1.00 0.00 C ATOM 587 C ASN A 38 3.017 -9.520 4.501 1.00 0.00 C ATOM 588 O ASN A 38 2.901 -9.000 3.390 1.00 0.00 O ATOM 589 CB ASN A 38 3.721 -7.894 6.276 1.00 0.00 C ATOM 590 CG ASN A 38 3.387 -7.349 7.650 1.00 0.00 C ATOM 591 OD1 ASN A 38 2.219 -7.152 7.982 1.00 0.00 O ATOM 592 ND2 ASN A 38 4.398 -7.110 8.463 1.00 0.00 N ATOM 0 H ASN A 38 3.004 -10.034 7.365 1.00 0.00 H new ATOM 0 HA ASN A 38 1.738 -8.157 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.647 -8.467 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.891 -7.069 5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.224 -6.750 9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.354 -7.285 8.153 1.00 0.00 H new ATOM 599 N ALA A 39 3.503 -10.742 4.689 1.00 0.00 N ATOM 600 CA ALA A 39 3.806 -11.629 3.571 1.00 0.00 C ATOM 601 C ALA A 39 2.579 -11.794 2.677 1.00 0.00 C ATOM 602 O ALA A 39 2.699 -11.960 1.460 1.00 0.00 O ATOM 603 CB ALA A 39 4.284 -12.980 4.084 1.00 0.00 C ATOM 0 H ALA A 39 3.696 -11.142 5.607 1.00 0.00 H new ATOM 0 HA ALA A 39 4.605 -11.185 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.507 -13.632 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.184 -12.844 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.505 -13.433 4.697 1.00 0.00 H new ATOM 609 N GLN A 40 1.401 -11.732 3.301 1.00 0.00 N ATOM 610 CA GLN A 40 0.130 -11.758 2.587 1.00 0.00 C ATOM 611 C GLN A 40 0.111 -10.685 1.506 1.00 0.00 C ATOM 612 O GLN A 40 -0.015 -10.993 0.327 1.00 0.00 O ATOM 613 CB GLN A 40 -1.033 -11.560 3.577 1.00 0.00 C ATOM 614 CG GLN A 40 -2.419 -11.461 2.940 1.00 0.00 C ATOM 615 CD GLN A 40 -2.935 -10.030 2.863 1.00 0.00 C ATOM 616 OE1 GLN A 40 -2.704 -9.370 1.739 1.00 0.00 O flip ATOM 617 NE2 GLN A 40 -3.560 -9.531 3.796 1.00 0.00 N flip ATOM 0 H GLN A 40 1.305 -11.663 4.314 1.00 0.00 H new ATOM 0 HA GLN A 40 0.011 -12.728 2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.034 -12.390 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.849 -10.653 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.383 -11.883 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.121 -12.065 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.720 -10.068 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.919 -8.579 3.718 1.00 0.00 H new ATOM 626 N PHE A 41 0.266 -9.429 1.916 1.00 0.00 N ATOM 627 CA PHE A 41 0.236 -8.299 0.987 1.00 0.00 C ATOM 628 C PHE A 41 1.338 -8.437 -0.043 1.00 0.00 C ATOM 629 O PHE A 41 1.094 -8.302 -1.231 1.00 0.00 O ATOM 630 CB PHE A 41 0.427 -6.976 1.730 1.00 0.00 C ATOM 631 CG PHE A 41 -0.529 -6.749 2.860 1.00 0.00 C ATOM 632 CD1 PHE A 41 -1.808 -6.285 2.621 1.00 0.00 C ATOM 633 CD2 PHE A 41 -0.137 -6.981 4.169 1.00 0.00 C ATOM 634 CE1 PHE A 41 -2.678 -6.064 3.662 1.00 0.00 C ATOM 635 CE2 PHE A 41 -1.004 -6.763 5.212 1.00 0.00 C ATOM 636 CZ PHE A 41 -2.276 -6.302 4.960 1.00 0.00 C ATOM 0 H PHE A 41 0.414 -9.166 2.890 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.737 -8.301 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.444 -6.937 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.327 -6.157 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.127 -6.094 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.862 -7.337 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.677 -5.704 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.688 -6.953 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.959 -6.127 5.778 1.00 0.00 H new ATOM 646 N LEU A 42 2.548 -8.718 0.423 1.00 0.00 N ATOM 647 CA LEU A 42 3.694 -8.842 -0.466 1.00 0.00 C ATOM 648 C LEU A 42 3.401 -9.783 -1.623 1.00 0.00 C ATOM 649 O LEU A 42 3.561 -9.413 -2.779 1.00 0.00 O ATOM 650 CB LEU A 42 4.919 -9.328 0.302 1.00 0.00 C ATOM 651 CG LEU A 42 5.531 -8.305 1.252 1.00 0.00 C ATOM 652 CD1 LEU A 42 6.706 -8.914 1.999 1.00 0.00 C ATOM 653 CD2 LEU A 42 5.967 -7.064 0.486 1.00 0.00 C ATOM 0 H LEU A 42 2.760 -8.864 1.410 1.00 0.00 H new ATOM 0 HA LEU A 42 3.899 -7.853 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.643 -10.213 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.680 -9.637 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 42 4.776 -8.011 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.133 -8.172 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.365 -9.774 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.465 -9.234 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.402 -6.343 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.709 -7.341 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.103 -6.618 -0.007 1.00 0.00 H new ATOM 665 N GLU A 43 2.935 -10.980 -1.306 1.00 0.00 N ATOM 666 CA GLU A 43 2.639 -11.980 -2.324 1.00 0.00 C ATOM 667 C GLU A 43 1.409 -11.557 -3.121 1.00 0.00 C ATOM 668 O GLU A 43 1.419 -11.571 -4.349 1.00 0.00 O ATOM 669 CB GLU A 43 2.404 -13.344 -1.667 1.00 0.00 C ATOM 670 CG GLU A 43 2.233 -14.485 -2.658 1.00 0.00 C ATOM 671 CD GLU A 43 1.996 -15.816 -1.974 1.00 0.00 C ATOM 672 OE1 GLU A 43 2.918 -16.308 -1.289 1.00 0.00 O ATOM 673 OE2 GLU A 43 0.894 -16.385 -2.131 1.00 0.00 O ATOM 0 H GLU A 43 2.753 -11.285 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 43 3.488 -12.062 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.244 -13.569 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.515 -13.285 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.395 -14.265 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.123 -14.555 -3.284 1.00 0.00 H new ATOM 680 N SER A 44 0.366 -11.150 -2.402 1.00 0.00 N ATOM 681 CA SER A 44 -0.886 -10.708 -3.007 1.00 0.00 C ATOM 682 C SER A 44 -0.649 -9.621 -4.047 1.00 0.00 C ATOM 683 O SER A 44 -1.116 -9.709 -5.181 1.00 0.00 O ATOM 684 CB SER A 44 -1.810 -10.173 -1.908 1.00 0.00 C ATOM 685 OG SER A 44 -2.303 -11.222 -1.093 1.00 0.00 O ATOM 0 H SER A 44 0.366 -11.118 -1.383 1.00 0.00 H new ATOM 0 HA SER A 44 -1.346 -11.559 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.268 -9.455 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.645 -9.638 -2.361 1.00 0.00 H new ATOM 0 HG SER A 44 -1.658 -11.414 -0.381 1.00 0.00 H new ATOM 691 N ILE A 45 0.114 -8.621 -3.661 1.00 0.00 N ATOM 692 CA ILE A 45 0.295 -7.437 -4.480 1.00 0.00 C ATOM 693 C ILE A 45 1.398 -7.665 -5.514 1.00 0.00 C ATOM 694 O ILE A 45 1.471 -6.977 -6.533 1.00 0.00 O ATOM 695 CB ILE A 45 0.604 -6.220 -3.580 1.00 0.00 C ATOM 696 CG1 ILE A 45 -0.481 -6.110 -2.496 1.00 0.00 C ATOM 697 CG2 ILE A 45 0.677 -4.936 -4.400 1.00 0.00 C ATOM 698 CD1 ILE A 45 -0.176 -5.098 -1.416 1.00 0.00 C ATOM 0 H ILE A 45 0.624 -8.603 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.627 -7.232 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 45 1.577 -6.362 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.427 -5.846 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.618 -7.088 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.896 -4.096 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.465 -5.026 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.278 -4.768 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.990 -5.082 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.752 -5.371 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.069 -4.110 -1.863 1.00 0.00 H new ATOM 710 N ARG A 46 2.235 -8.660 -5.252 1.00 0.00 N ATOM 711 CA ARG A 46 3.265 -9.069 -6.196 1.00 0.00 C ATOM 712 C ARG A 46 2.645 -9.821 -7.368 1.00 0.00 C ATOM 713 O ARG A 46 2.989 -9.578 -8.526 1.00 0.00 O ATOM 714 CB ARG A 46 4.284 -9.964 -5.496 1.00 0.00 C ATOM 715 CG ARG A 46 5.467 -10.352 -6.355 1.00 0.00 C ATOM 716 CD ARG A 46 6.354 -11.348 -5.631 1.00 0.00 C ATOM 717 NE ARG A 46 7.584 -11.617 -6.375 1.00 0.00 N ATOM 718 CZ ARG A 46 8.366 -12.674 -6.178 1.00 0.00 C ATOM 719 NH1 ARG A 46 8.006 -13.624 -5.323 1.00 0.00 N ATOM 720 NH2 ARG A 46 9.493 -12.798 -6.867 1.00 0.00 N ATOM 0 H ARG A 46 2.220 -9.201 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 46 3.764 -8.177 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.649 -9.452 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.782 -10.871 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.116 -10.785 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.044 -9.463 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.603 -10.962 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.808 -12.280 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 46 7.861 -10.948 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.126 -13.545 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.610 -14.433 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.757 -12.084 -7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.095 -13.608 -6.718 1.00 0.00 H new ATOM 734 N ARG A 47 1.736 -10.746 -7.058 1.00 0.00 N ATOM 735 CA ARG A 47 1.069 -11.538 -8.086 1.00 0.00 C ATOM 736 C ARG A 47 0.076 -10.674 -8.852 1.00 0.00 C ATOM 737 O ARG A 47 -0.153 -10.873 -10.044 1.00 0.00 O ATOM 738 CB ARG A 47 0.337 -12.744 -7.473 1.00 0.00 C ATOM 739 CG ARG A 47 1.192 -13.581 -6.529 1.00 0.00 C ATOM 740 CD ARG A 47 2.477 -14.053 -7.187 1.00 0.00 C ATOM 741 NE ARG A 47 2.233 -15.032 -8.244 1.00 0.00 N ATOM 742 CZ ARG A 47 3.049 -15.222 -9.276 1.00 0.00 C ATOM 743 NH1 ARG A 47 4.118 -14.448 -9.428 1.00 0.00 N ATOM 744 NH2 ARG A 47 2.789 -16.172 -10.162 1.00 0.00 N ATOM 0 H ARG A 47 1.447 -10.963 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 47 1.833 -11.909 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.538 -12.386 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.026 -13.382 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.434 -12.994 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.619 -14.445 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.005 -13.195 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.129 -14.492 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 47 1.389 -15.602 -8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.312 -13.708 -8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.744 -14.593 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.962 -16.759 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.416 -16.317 -10.953 1.00 0.00 H new ATOM 758 N GLY A 48 -0.497 -9.704 -8.153 1.00 0.00 N ATOM 759 CA GLY A 48 -1.452 -8.809 -8.769 1.00 0.00 C ATOM 760 C GLY A 48 -2.867 -9.090 -8.313 1.00 0.00 C ATOM 761 O GLY A 48 -3.788 -9.146 -9.127 1.00 0.00 O ATOM 0 H GLY A 48 -0.315 -9.522 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.191 -7.779 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.394 -8.907 -9.853 1.00 0.00 H new ATOM 765 N GLU A 49 -3.037 -9.287 -7.014 1.00 0.00 N ATOM 766 CA GLU A 49 -4.347 -9.559 -6.445 1.00 0.00 C ATOM 767 C GLU A 49 -4.706 -8.523 -5.388 1.00 0.00 C ATOM 768 O GLU A 49 -3.865 -7.729 -4.963 1.00 0.00 O ATOM 769 CB GLU A 49 -4.382 -10.956 -5.838 1.00 0.00 C ATOM 770 CG GLU A 49 -4.095 -12.052 -6.847 1.00 0.00 C ATOM 771 CD GLU A 49 -4.203 -13.435 -6.252 1.00 0.00 C ATOM 772 OE1 GLU A 49 -5.339 -13.938 -6.120 1.00 0.00 O ATOM 773 OE2 GLU A 49 -3.158 -14.032 -5.925 1.00 0.00 O ATOM 0 H GLU A 49 -2.279 -9.263 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.082 -9.502 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.651 -11.013 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.362 -11.128 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.792 -11.964 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.093 -11.913 -7.253 1.00 0.00 H new ATOM 780 N VAL A 50 -5.960 -8.543 -4.966 1.00 0.00 N ATOM 781 CA VAL A 50 -6.460 -7.580 -3.996 1.00 0.00 C ATOM 782 C VAL A 50 -6.414 -8.161 -2.587 1.00 0.00 C ATOM 783 O VAL A 50 -6.991 -9.217 -2.326 1.00 0.00 O ATOM 784 CB VAL A 50 -7.906 -7.155 -4.330 1.00 0.00 C ATOM 785 CG1 VAL A 50 -8.470 -6.242 -3.255 1.00 0.00 C ATOM 786 CG2 VAL A 50 -7.961 -6.472 -5.686 1.00 0.00 C ATOM 0 H VAL A 50 -6.655 -9.220 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.816 -6.702 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.520 -8.055 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.489 -5.958 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.473 -6.765 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.853 -5.347 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.988 -6.179 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.326 -5.586 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.608 -7.160 -6.454 1.00 0.00 H new ATOM 796 N PRO A 51 -5.724 -7.475 -1.661 1.00 0.00 N ATOM 797 CA PRO A 51 -5.597 -7.918 -0.268 1.00 0.00 C ATOM 798 C PRO A 51 -6.920 -7.813 0.493 1.00 0.00 C ATOM 799 O PRO A 51 -7.684 -6.860 0.313 1.00 0.00 O ATOM 800 CB PRO A 51 -4.555 -6.951 0.323 1.00 0.00 C ATOM 801 CG PRO A 51 -3.925 -6.290 -0.844 1.00 0.00 C ATOM 802 CD PRO A 51 -5.001 -6.213 -1.885 1.00 0.00 C ATOM 0 HA PRO A 51 -5.309 -8.967 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.026 -6.221 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.815 -7.486 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.559 -5.297 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.069 -6.861 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.643 -5.343 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.591 -6.149 -2.893 1.00 0.00 H new ATOM 810 N ALA A 52 -7.164 -8.801 1.357 1.00 0.00 N ATOM 811 CA ALA A 52 -8.416 -8.917 2.100 1.00 0.00 C ATOM 812 C ALA A 52 -8.648 -7.713 3.000 1.00 0.00 C ATOM 813 O ALA A 52 -9.787 -7.370 3.288 1.00 0.00 O ATOM 814 CB ALA A 52 -8.423 -10.201 2.918 1.00 0.00 C ATOM 0 H ALA A 52 -6.495 -9.544 1.560 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.232 -8.949 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.361 -10.277 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.323 -11.058 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.590 -10.189 3.621 1.00 0.00 H new ATOM 820 N GLU A 53 -7.563 -7.077 3.434 1.00 0.00 N ATOM 821 CA GLU A 53 -7.650 -5.856 4.232 1.00 0.00 C ATOM 822 C GLU A 53 -8.533 -4.823 3.540 1.00 0.00 C ATOM 823 O GLU A 53 -9.370 -4.179 4.173 1.00 0.00 O ATOM 824 CB GLU A 53 -6.246 -5.286 4.467 1.00 0.00 C ATOM 825 CG GLU A 53 -5.437 -6.083 5.472 1.00 0.00 C ATOM 826 CD GLU A 53 -5.859 -5.823 6.903 1.00 0.00 C ATOM 827 OE1 GLU A 53 -6.865 -6.412 7.348 1.00 0.00 O ATOM 828 OE2 GLU A 53 -5.180 -5.028 7.592 1.00 0.00 O ATOM 0 H GLU A 53 -6.610 -7.388 3.246 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.100 -6.099 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.709 -5.258 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.333 -4.257 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.542 -7.146 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.381 -5.837 5.359 1.00 0.00 H new ATOM 835 N LEU A 54 -8.346 -4.681 2.233 1.00 0.00 N ATOM 836 CA LEU A 54 -9.090 -3.709 1.462 1.00 0.00 C ATOM 837 C LEU A 54 -10.396 -4.300 0.964 1.00 0.00 C ATOM 838 O LEU A 54 -11.440 -3.657 1.019 1.00 0.00 O ATOM 839 CB LEU A 54 -8.262 -3.231 0.281 1.00 0.00 C ATOM 840 CG LEU A 54 -6.830 -2.875 0.600 1.00 0.00 C ATOM 841 CD1 LEU A 54 -6.136 -2.396 -0.659 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.794 -1.816 1.680 1.00 0.00 C ATOM 0 H LEU A 54 -7.682 -5.232 1.689 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.315 -2.863 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.264 -4.009 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.748 -2.357 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.304 -3.755 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.102 -2.139 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.155 -3.187 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.651 -1.517 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.758 -1.563 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.318 -0.925 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.279 -2.196 2.579 1.00 0.00 H new ATOM 854 N ARG A 55 -10.326 -5.528 0.460 1.00 0.00 N ATOM 855 CA ARG A 55 -11.494 -6.173 -0.121 1.00 0.00 C ATOM 856 C ARG A 55 -12.583 -6.388 0.931 1.00 0.00 C ATOM 857 O ARG A 55 -13.764 -6.183 0.656 1.00 0.00 O ATOM 858 CB ARG A 55 -11.116 -7.496 -0.783 1.00 0.00 C ATOM 859 CG ARG A 55 -11.782 -7.689 -2.135 1.00 0.00 C ATOM 860 CD ARG A 55 -13.285 -7.517 -2.032 1.00 0.00 C ATOM 861 NE ARG A 55 -13.967 -7.722 -3.307 1.00 0.00 N ATOM 862 CZ ARG A 55 -15.290 -7.845 -3.423 1.00 0.00 C ATOM 863 NH1 ARG A 55 -16.063 -7.735 -2.349 1.00 0.00 N ATOM 864 NH2 ARG A 55 -15.838 -8.063 -4.610 1.00 0.00 N ATOM 0 H ARG A 55 -9.477 -6.092 0.443 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.892 -5.510 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.034 -7.539 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.395 -8.319 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.379 -6.971 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.552 -8.683 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.677 -8.221 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.507 -6.516 -1.663 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.401 -7.774 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.645 -7.557 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.075 -7.829 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.248 -8.137 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.850 -8.157 -4.695 1.00 0.00 H new ATOM 980 N VAL A 63 -12.255 -1.678 -4.916 1.00 0.00 N ATOM 981 CA VAL A 63 -10.983 -1.697 -4.229 1.00 0.00 C ATOM 982 C VAL A 63 -9.812 -1.788 -5.210 1.00 0.00 C ATOM 983 O VAL A 63 -9.757 -2.684 -6.057 1.00 0.00 O ATOM 984 CB VAL A 63 -10.911 -2.872 -3.232 1.00 0.00 C ATOM 985 CG1 VAL A 63 -11.323 -4.180 -3.892 1.00 0.00 C ATOM 986 CG2 VAL A 63 -9.518 -2.983 -2.651 1.00 0.00 C ATOM 0 HA VAL A 63 -10.904 -0.757 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.613 -2.673 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.262 -4.990 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.347 -4.097 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.656 -4.392 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.482 -3.816 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.801 -3.154 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.266 -2.059 -2.130 1.00 0.00 H new ATOM 996 N ASN A 64 -8.908 -0.827 -5.118 1.00 0.00 N ATOM 997 CA ASN A 64 -7.657 -0.860 -5.847 1.00 0.00 C ATOM 998 C ASN A 64 -6.525 -0.356 -4.954 1.00 0.00 C ATOM 999 O ASN A 64 -6.774 0.253 -3.911 1.00 0.00 O ATOM 1000 CB ASN A 64 -7.771 0.009 -7.091 1.00 0.00 C ATOM 1001 CG ASN A 64 -6.653 -0.234 -8.091 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -6.151 -1.465 -8.154 1.00 0.00 O flip ATOM 1003 ND2 ASN A 64 -6.244 0.676 -8.806 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.024 0.000 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.438 -1.885 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.730 -0.181 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.765 1.058 -6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.653 1.607 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.495 0.501 -9.476 1.00 0.00 H new ATOM 1010 N LEU A 65 -5.291 -0.604 -5.358 1.00 0.00 N ATOM 1011 CA LEU A 65 -4.138 -0.189 -4.580 1.00 0.00 C ATOM 1012 C LEU A 65 -3.109 0.494 -5.472 1.00 0.00 C ATOM 1013 O LEU A 65 -2.843 0.045 -6.588 1.00 0.00 O ATOM 1014 CB LEU A 65 -3.520 -1.398 -3.850 1.00 0.00 C ATOM 1015 CG LEU A 65 -2.164 -1.158 -3.174 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -2.065 -1.956 -1.884 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.023 -1.545 -4.107 1.00 0.00 C ATOM 0 H LEU A 65 -5.062 -1.093 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.465 0.531 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.226 -1.738 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.406 -2.211 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.084 -0.096 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.097 -1.774 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.859 -1.648 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.168 -3.018 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.070 -1.367 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.106 -2.601 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.076 -0.944 -5.015 1.00 0.00 H new ATOM 1029 N ASP A 66 -2.560 1.592 -4.980 1.00 0.00 N ATOM 1030 CA ASP A 66 -1.463 2.281 -5.651 1.00 0.00 C ATOM 1031 C ASP A 66 -0.193 2.031 -4.857 1.00 0.00 C ATOM 1032 O ASP A 66 -0.273 1.691 -3.684 1.00 0.00 O ATOM 1033 CB ASP A 66 -1.742 3.785 -5.751 1.00 0.00 C ATOM 1034 CG ASP A 66 -2.959 4.097 -6.603 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -2.834 4.106 -7.845 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -4.048 4.328 -6.036 1.00 0.00 O ATOM 0 H ASP A 66 -2.858 2.031 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.355 1.900 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.890 4.191 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.870 4.285 -6.172 1.00 0.00 H new ATOM 1041 N MET A 67 0.972 2.182 -5.464 1.00 0.00 N ATOM 1042 CA MET A 67 2.206 1.870 -4.755 1.00 0.00 C ATOM 1043 C MET A 67 3.251 2.963 -4.943 1.00 0.00 C ATOM 1044 O MET A 67 3.499 3.420 -6.058 1.00 0.00 O ATOM 1045 CB MET A 67 2.764 0.524 -5.219 1.00 0.00 C ATOM 1046 CG MET A 67 3.705 -0.114 -4.209 1.00 0.00 C ATOM 1047 SD MET A 67 4.439 -1.651 -4.806 1.00 0.00 S ATOM 1048 CE MET A 67 5.384 -2.149 -3.367 1.00 0.00 C ATOM 0 H MET A 67 1.092 2.510 -6.422 1.00 0.00 H new ATOM 0 HA MET A 67 1.969 1.810 -3.693 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.936 -0.157 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.293 0.663 -6.162 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.499 0.591 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.159 -0.312 -3.286 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.495 -3.233 -3.362 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.369 -1.683 -3.399 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.863 -1.834 -2.463 1.00 0.00 H new ATOM 1058 N GLU A 68 3.852 3.373 -3.836 1.00 0.00 N ATOM 1059 CA GLU A 68 4.904 4.383 -3.834 1.00 0.00 C ATOM 1060 C GLU A 68 6.231 3.763 -3.416 1.00 0.00 C ATOM 1061 O GLU A 68 6.255 2.679 -2.839 1.00 0.00 O ATOM 1062 CB GLU A 68 4.578 5.491 -2.836 1.00 0.00 C ATOM 1063 CG GLU A 68 3.296 6.252 -3.106 1.00 0.00 C ATOM 1064 CD GLU A 68 3.090 7.358 -2.092 1.00 0.00 C ATOM 1065 OE1 GLU A 68 3.766 8.403 -2.212 1.00 0.00 O ATOM 1066 OE2 GLU A 68 2.303 7.168 -1.146 1.00 0.00 O ATOM 0 H GLU A 68 3.624 3.014 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 68 4.973 4.790 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.518 5.053 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.406 6.200 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.327 6.677 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.450 5.566 -3.076 1.00 0.00 H new ATOM 1073 N ASP A 69 7.327 4.464 -3.676 1.00 0.00 N ATOM 1074 CA ASP A 69 8.632 4.051 -3.174 1.00 0.00 C ATOM 1075 C ASP A 69 9.179 5.127 -2.239 1.00 0.00 C ATOM 1076 O ASP A 69 9.407 6.264 -2.650 1.00 0.00 O ATOM 1077 CB ASP A 69 9.619 3.804 -4.323 1.00 0.00 C ATOM 1078 CG ASP A 69 10.892 3.104 -3.867 1.00 0.00 C ATOM 1079 OD1 ASP A 69 11.455 3.488 -2.819 1.00 0.00 O ATOM 1080 OD2 ASP A 69 11.326 2.153 -4.560 1.00 0.00 O ATOM 0 H ASP A 69 7.339 5.320 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 69 8.512 3.114 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.133 3.201 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.879 4.757 -4.784 1.00 0.00 H new ATOM 1085 N HIS A 70 9.353 4.773 -0.976 1.00 0.00 N ATOM 1086 CA HIS A 70 9.882 5.695 0.024 1.00 0.00 C ATOM 1087 C HIS A 70 10.810 4.936 0.959 1.00 0.00 C ATOM 1088 O HIS A 70 10.839 5.183 2.166 1.00 0.00 O ATOM 1089 CB HIS A 70 8.755 6.332 0.846 1.00 0.00 C ATOM 1090 CG HIS A 70 7.780 7.167 0.071 1.00 0.00 C ATOM 1091 ND1 HIS A 70 7.952 8.515 -0.165 1.00 0.00 N ATOM 1092 CD2 HIS A 70 6.586 6.847 -0.480 1.00 0.00 C ATOM 1093 CE1 HIS A 70 6.906 8.985 -0.811 1.00 0.00 C ATOM 1094 NE2 HIS A 70 6.066 7.996 -1.019 1.00 0.00 N ATOM 0 H HIS A 70 9.134 3.845 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 70 10.422 6.489 -0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.205 5.538 1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.202 6.954 1.622 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.765 9.063 0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.128 5.869 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.762 10.010 -1.118 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.171 8.071 -1.503 1.00 0.00 H new ATOM 1103 N ARG A 71 11.547 3.994 0.391 1.00 0.00 N ATOM 1104 CA ARG A 71 12.356 3.076 1.158 1.00 0.00 C ATOM 1105 C ARG A 71 13.396 3.779 2.025 1.00 0.00 C ATOM 1106 O ARG A 71 13.670 3.345 3.140 1.00 0.00 O ATOM 1107 CB ARG A 71 12.998 2.047 0.231 1.00 0.00 C ATOM 1108 CG ARG A 71 11.965 1.110 -0.375 1.00 0.00 C ATOM 1109 CD ARG A 71 12.450 0.422 -1.635 1.00 0.00 C ATOM 1110 NE ARG A 71 13.639 -0.396 -1.425 1.00 0.00 N ATOM 1111 CZ ARG A 71 14.401 -0.842 -2.419 1.00 0.00 C ATOM 1112 NH1 ARG A 71 14.115 -0.505 -3.673 1.00 0.00 N ATOM 1113 NH2 ARG A 71 15.439 -1.628 -2.164 1.00 0.00 N ATOM 0 H ARG A 71 11.597 3.849 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 71 11.694 2.560 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.534 2.561 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.734 1.466 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.693 0.354 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.061 1.675 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.651 -0.206 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.665 1.176 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 71 13.899 -0.638 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.313 0.094 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.697 -0.845 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.655 -1.892 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.021 -1.968 -2.929 1.00 0.00 H new ATOM 1127 N ASP A 72 13.950 4.878 1.545 1.00 0.00 N ATOM 1128 CA ASP A 72 14.950 5.606 2.322 1.00 0.00 C ATOM 1129 C ASP A 72 14.329 6.807 3.036 1.00 0.00 C ATOM 1130 O ASP A 72 15.035 7.709 3.482 1.00 0.00 O ATOM 1131 CB ASP A 72 16.123 6.047 1.436 1.00 0.00 C ATOM 1132 CG ASP A 72 15.726 7.047 0.374 1.00 0.00 C ATOM 1133 OD1 ASP A 72 15.130 6.636 -0.644 1.00 0.00 O ATOM 1134 OD2 ASP A 72 16.017 8.249 0.547 1.00 0.00 O ATOM 0 H ASP A 72 13.732 5.285 0.635 1.00 0.00 H new ATOM 0 HA ASP A 72 15.336 4.926 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.900 6.483 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.557 5.170 0.956 1.00 0.00 H new ATOM 1139 N GLU A 73 13.005 6.808 3.149 1.00 0.00 N ATOM 1140 CA GLU A 73 12.293 7.853 3.881 1.00 0.00 C ATOM 1141 C GLU A 73 11.894 7.381 5.273 1.00 0.00 C ATOM 1142 O GLU A 73 11.795 8.183 6.205 1.00 0.00 O ATOM 1143 CB GLU A 73 11.026 8.278 3.137 1.00 0.00 C ATOM 1144 CG GLU A 73 11.163 9.571 2.361 1.00 0.00 C ATOM 1145 CD GLU A 73 9.876 9.967 1.667 1.00 0.00 C ATOM 1146 OE1 GLU A 73 8.819 10.060 2.334 1.00 0.00 O ATOM 1147 OE2 GLU A 73 9.904 10.185 0.438 1.00 0.00 O ATOM 0 H GLU A 73 12.400 6.095 2.742 1.00 0.00 H new ATOM 0 HA GLU A 73 12.976 8.699 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.739 7.483 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.214 8.384 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.467 10.368 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.955 9.464 1.619 1.00 0.00 H new ATOM 1154 N ASP A 74 11.678 6.071 5.393 1.00 0.00 N ATOM 1155 CA ASP A 74 11.061 5.463 6.580 1.00 0.00 C ATOM 1156 C ASP A 74 9.598 5.900 6.663 1.00 0.00 C ATOM 1157 O ASP A 74 9.151 6.732 5.881 1.00 0.00 O ATOM 1158 CB ASP A 74 11.793 5.825 7.877 1.00 0.00 C ATOM 1159 CG ASP A 74 11.658 4.760 8.948 1.00 0.00 C ATOM 1160 OD1 ASP A 74 10.633 4.759 9.661 1.00 0.00 O ATOM 1161 OD2 ASP A 74 12.580 3.924 9.090 1.00 0.00 O ATOM 0 H ASP A 74 11.926 5.396 4.669 1.00 0.00 H new ATOM 0 HA ASP A 74 11.130 4.380 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.849 5.983 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.401 6.768 8.258 1.00 0.00 H new ATOM 1166 N PHE A 75 8.871 5.376 7.629 1.00 0.00 N ATOM 1167 CA PHE A 75 7.411 5.483 7.623 1.00 0.00 C ATOM 1168 C PHE A 75 6.945 6.893 7.939 1.00 0.00 C ATOM 1169 O PHE A 75 7.237 7.426 9.011 1.00 0.00 O ATOM 1170 CB PHE A 75 6.806 4.507 8.617 1.00 0.00 C ATOM 1171 CG PHE A 75 5.306 4.568 8.713 1.00 0.00 C ATOM 1172 CD1 PHE A 75 4.519 4.401 7.586 1.00 0.00 C ATOM 1173 CD2 PHE A 75 4.684 4.779 9.930 1.00 0.00 C ATOM 1174 CE1 PHE A 75 3.145 4.436 7.672 1.00 0.00 C ATOM 1175 CE2 PHE A 75 3.307 4.814 10.023 1.00 0.00 C ATOM 1176 CZ PHE A 75 2.536 4.643 8.891 1.00 0.00 C ATOM 0 H PHE A 75 9.257 4.873 8.428 1.00 0.00 H new ATOM 0 HA PHE A 75 7.072 5.236 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.099 3.495 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.229 4.702 9.602 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.989 4.241 6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.283 4.918 10.818 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.545 4.301 6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.834 4.975 10.980 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.459 4.671 8.960 1.00 0.00 H new ATOM 1186 N VAL A 76 6.187 7.482 7.017 1.00 0.00 N ATOM 1187 CA VAL A 76 5.786 8.869 7.159 1.00 0.00 C ATOM 1188 C VAL A 76 4.820 9.304 6.043 1.00 0.00 C ATOM 1189 O VAL A 76 5.034 10.303 5.355 1.00 0.00 O ATOM 1190 CB VAL A 76 7.057 9.744 7.171 1.00 0.00 C ATOM 1191 CG1 VAL A 76 7.741 9.788 5.806 1.00 0.00 C ATOM 1192 CG2 VAL A 76 6.768 11.142 7.706 1.00 0.00 C ATOM 0 H VAL A 76 5.844 7.022 6.174 1.00 0.00 H new ATOM 0 HA VAL A 76 5.243 8.991 8.096 1.00 0.00 H new ATOM 0 HB VAL A 76 7.761 9.272 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.630 10.416 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.028 8.779 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.054 10.201 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.685 11.731 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.022 11.626 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.389 11.070 8.726 1.00 0.00 H new