USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 29 HIS :FLIP no HE2:sc= 0.675 F(o=-0.7,f=1.4) USER MOD Set 1.2: A 49 TYR OH : rot 87:sc= 0.748 USER MOD Single : A 21 SER OG : rot 180:sc= -1 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -67:sc= 1.41 USER MOD Single : A 26 GLN : amide:sc=-0.00767 X(o=-0.0077,f=-0.0083) USER MOD Single : A 28 CYS SG : rot 13:sc= 0.679 USER MOD Single : A 36 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.3!) USER MOD Single : A 37 SER OG : rot 176:sc= -3.7! USER MOD Single : A 38 ASN : amide:sc= -4.64 K(o=-4.6,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= 1.25 (180deg=-0.252) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.703 F(o=-2.5!,f=-0.7) USER MOD Single : A 47 SER OG : rot -33:sc= 1.09 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -2.62! C(o=-4.4!,f=-2.6!) USER MOD Single : A 52 CYS SG : rot 28:sc= -0.709 USER MOD Single : A 53 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.0038) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0721 K(o=-0.072,f=-1.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.0017) USER MOD Single : A 81 SER OG : rot 84:sc= 0.867 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 175 N ARG A 16 0.674 5.678 15.162 1.00 0.00 N ATOM 176 CA ARG A 16 1.713 6.594 14.723 1.00 0.00 C ATOM 177 C ARG A 16 1.966 6.430 13.223 1.00 0.00 C ATOM 178 O ARG A 16 2.349 5.353 12.769 1.00 0.00 O ATOM 179 CB ARG A 16 3.018 6.353 15.483 1.00 0.00 C ATOM 180 CG ARG A 16 3.535 7.649 16.110 1.00 0.00 C ATOM 181 CD ARG A 16 4.501 8.368 15.166 1.00 0.00 C ATOM 182 NE ARG A 16 3.997 9.726 14.865 1.00 0.00 N ATOM 183 CZ ARG A 16 4.598 10.581 14.026 1.00 0.00 C ATOM 184 NH1 ARG A 16 5.728 10.224 13.401 1.00 0.00 N ATOM 185 NH2 ARG A 16 4.069 11.794 13.813 1.00 0.00 N ATOM 0 HA ARG A 16 1.369 7.608 14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.857 5.607 16.261 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.769 5.948 14.804 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.696 8.304 16.345 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.038 7.426 17.051 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.489 8.431 15.622 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.611 7.799 14.243 1.00 0.00 H new ATOM 0 HE ARG A 16 3.139 10.030 15.325 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.131 9.301 13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.185 10.875 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.209 12.066 14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.526 12.445 13.175 1.00 0.00 H new ATOM 199 N ILE A 17 1.741 7.514 12.495 1.00 0.00 N ATOM 200 CA ILE A 17 1.940 7.504 11.056 1.00 0.00 C ATOM 201 C ILE A 17 3.439 7.548 10.752 1.00 0.00 C ATOM 202 O ILE A 17 4.224 8.050 11.555 1.00 0.00 O ATOM 203 CB ILE A 17 1.146 8.633 10.397 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.294 8.665 10.913 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.206 8.528 8.872 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.079 7.446 10.424 1.00 0.00 C ATOM 0 H ILE A 17 1.423 8.405 12.875 1.00 0.00 H new ATOM 0 HA ILE A 17 1.554 6.580 10.625 1.00 0.00 H new ATOM 0 HB ILE A 17 1.608 9.581 10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.293 8.688 12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.785 9.578 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.633 9.343 8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.243 8.593 8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.784 7.574 8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.099 7.493 10.805 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.099 7.439 9.334 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.599 6.536 10.784 1.00 0.00 H new ATOM 218 N ILE A 18 3.791 7.017 9.591 1.00 0.00 N ATOM 219 CA ILE A 18 5.182 6.989 9.171 1.00 0.00 C ATOM 220 C ILE A 18 5.273 7.384 7.696 1.00 0.00 C ATOM 221 O ILE A 18 4.320 7.199 6.940 1.00 0.00 O ATOM 222 CB ILE A 18 5.809 5.629 9.483 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.946 4.489 8.939 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.077 5.480 10.982 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.787 3.235 8.690 1.00 0.00 C ATOM 0 H ILE A 18 3.137 6.602 8.927 1.00 0.00 H new ATOM 0 HA ILE A 18 5.764 7.719 9.734 1.00 0.00 H new ATOM 0 HB ILE A 18 6.772 5.573 8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.149 4.262 9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.468 4.801 8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.523 4.505 11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.761 6.263 11.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.139 5.566 11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.149 2.440 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.568 3.459 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.244 2.912 9.625 1.00 0.00 H new ATOM 237 N ARG A 19 6.428 7.921 7.330 1.00 0.00 N ATOM 238 CA ARG A 19 6.656 8.344 5.958 1.00 0.00 C ATOM 239 C ARG A 19 7.285 7.207 5.150 1.00 0.00 C ATOM 240 O ARG A 19 8.481 6.943 5.272 1.00 0.00 O ATOM 241 CB ARG A 19 7.572 9.567 5.904 1.00 0.00 C ATOM 242 CG ARG A 19 7.816 10.006 4.459 1.00 0.00 C ATOM 243 CD ARG A 19 8.648 11.289 4.408 1.00 0.00 C ATOM 244 NE ARG A 19 10.086 10.966 4.537 1.00 0.00 N ATOM 245 CZ ARG A 19 10.723 10.828 5.708 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.052 10.984 6.858 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.030 10.534 5.729 1.00 0.00 N ATOM 0 H ARG A 19 7.216 8.073 7.960 1.00 0.00 H new ATOM 0 HA ARG A 19 5.690 8.609 5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.124 10.386 6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.523 9.335 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.331 9.213 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.861 10.167 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.467 11.812 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.344 11.961 5.211 1.00 0.00 H new ATOM 0 HE ARG A 19 10.626 10.840 3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.057 11.208 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.536 10.879 7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.540 10.415 4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.515 10.429 6.620 1.00 0.00 H new ATOM 261 N VAL A 20 6.453 6.566 4.343 1.00 0.00 N ATOM 262 CA VAL A 20 6.914 5.464 3.516 1.00 0.00 C ATOM 263 C VAL A 20 7.052 5.941 2.069 1.00 0.00 C ATOM 264 O VAL A 20 6.093 6.441 1.482 1.00 0.00 O ATOM 265 CB VAL A 20 5.970 4.268 3.664 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.447 3.086 2.818 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.820 3.867 5.132 1.00 0.00 C ATOM 0 H VAL A 20 5.462 6.789 4.244 1.00 0.00 H new ATOM 0 HA VAL A 20 7.898 5.127 3.842 1.00 0.00 H new ATOM 0 HB VAL A 20 4.988 4.568 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.759 2.249 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.478 3.379 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.444 2.786 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.144 3.015 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.795 3.595 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.414 4.705 5.698 1.00 0.00 H new ATOM 277 N SER A 21 8.252 5.771 1.535 1.00 0.00 N ATOM 278 CA SER A 21 8.528 6.178 0.168 1.00 0.00 C ATOM 279 C SER A 21 8.046 5.101 -0.806 1.00 0.00 C ATOM 280 O SER A 21 8.642 4.029 -0.897 1.00 0.00 O ATOM 281 CB SER A 21 10.020 6.449 -0.036 1.00 0.00 C ATOM 282 OG SER A 21 10.499 7.474 0.831 1.00 0.00 O ATOM 0 H SER A 21 9.045 5.357 2.025 1.00 0.00 H new ATOM 0 HA SER A 21 7.988 7.104 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.583 5.532 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.198 6.738 -1.072 1.00 0.00 H new ATOM 0 HG SER A 21 11.455 7.617 0.671 1.00 0.00 H new ATOM 288 N VAL A 22 6.972 5.424 -1.511 1.00 0.00 N ATOM 289 CA VAL A 22 6.403 4.497 -2.475 1.00 0.00 C ATOM 290 C VAL A 22 7.074 4.707 -3.834 1.00 0.00 C ATOM 291 O VAL A 22 7.007 5.795 -4.403 1.00 0.00 O ATOM 292 CB VAL A 22 4.883 4.664 -2.528 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.302 4.003 -3.779 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.227 4.111 -1.261 1.00 0.00 C ATOM 0 H VAL A 22 6.481 6.315 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 22 6.593 3.467 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 22 4.665 5.731 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.220 4.136 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.735 4.462 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.536 2.938 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.147 4.242 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.459 3.050 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.607 4.646 -0.391 1.00 0.00 H new ATOM 304 N LYS A 23 7.707 3.647 -4.316 1.00 0.00 N ATOM 305 CA LYS A 23 8.389 3.700 -5.597 1.00 0.00 C ATOM 306 C LYS A 23 7.478 3.120 -6.681 1.00 0.00 C ATOM 307 O LYS A 23 7.127 1.942 -6.636 1.00 0.00 O ATOM 308 CB LYS A 23 9.753 3.012 -5.507 1.00 0.00 C ATOM 309 CG LYS A 23 10.830 3.835 -6.216 1.00 0.00 C ATOM 310 CD LYS A 23 11.611 4.693 -5.218 1.00 0.00 C ATOM 311 CE LYS A 23 13.007 4.117 -4.975 1.00 0.00 C ATOM 312 NZ LYS A 23 14.045 5.050 -5.467 1.00 0.00 N ATOM 0 H LYS A 23 7.761 2.746 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 23 8.596 4.733 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.026 2.873 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.694 2.020 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.514 3.169 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.368 4.475 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.695 5.712 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.067 4.747 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.151 3.932 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.104 3.156 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.987 4.644 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.917 5.205 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.962 5.957 -4.966 1.00 0.00 H new ATOM 326 N THR A 24 7.120 3.975 -7.628 1.00 0.00 N ATOM 327 CA THR A 24 6.257 3.562 -8.721 1.00 0.00 C ATOM 328 C THR A 24 7.025 3.580 -10.044 1.00 0.00 C ATOM 329 O THR A 24 8.058 4.238 -10.157 1.00 0.00 O ATOM 330 CB THR A 24 5.026 4.470 -8.720 1.00 0.00 C ATOM 331 OG1 THR A 24 5.460 5.644 -9.402 1.00 0.00 O ATOM 332 CG2 THR A 24 4.665 4.966 -7.318 1.00 0.00 C ATOM 0 H THR A 24 7.412 4.952 -7.661 1.00 0.00 H new ATOM 0 HA THR A 24 5.920 2.533 -8.592 1.00 0.00 H new ATOM 0 HB THR A 24 4.178 3.932 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.140 6.102 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.785 5.606 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.453 4.113 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.500 5.533 -6.906 1.00 0.00 H new ATOM 340 N PRO A 25 6.476 2.831 -11.038 1.00 0.00 N ATOM 341 CA PRO A 25 7.098 2.756 -12.349 1.00 0.00 C ATOM 342 C PRO A 25 6.863 4.043 -13.142 1.00 0.00 C ATOM 343 O PRO A 25 6.475 3.996 -14.309 1.00 0.00 O ATOM 344 CB PRO A 25 6.482 1.532 -13.007 1.00 0.00 C ATOM 345 CG PRO A 25 5.207 1.239 -12.232 1.00 0.00 C ATOM 346 CD PRO A 25 5.253 2.040 -10.940 1.00 0.00 C ATOM 0 HA PRO A 25 8.182 2.660 -12.295 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.265 1.721 -14.058 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.165 0.683 -12.970 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.331 1.513 -12.820 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.127 0.173 -12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.375 2.679 -10.838 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.273 1.385 -10.069 1.00 0.00 H new ATOM 354 N GLN A 26 7.108 5.163 -12.478 1.00 0.00 N ATOM 355 CA GLN A 26 6.929 6.460 -13.106 1.00 0.00 C ATOM 356 C GLN A 26 7.663 7.542 -12.311 1.00 0.00 C ATOM 357 O GLN A 26 8.504 8.255 -12.856 1.00 0.00 O ATOM 358 CB GLN A 26 5.444 6.799 -13.250 1.00 0.00 C ATOM 359 CG GLN A 26 4.970 6.589 -14.689 1.00 0.00 C ATOM 360 CD GLN A 26 5.311 7.799 -15.561 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.807 8.894 -15.373 1.00 0.00 O ATOM 362 NE2 GLN A 26 6.193 7.541 -16.523 1.00 0.00 N ATOM 0 H GLN A 26 7.429 5.199 -11.511 1.00 0.00 H new ATOM 0 HA GLN A 26 7.358 6.419 -14.107 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.858 6.175 -12.576 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.274 7.834 -12.955 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.437 5.695 -15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.893 6.420 -14.700 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.576 6.601 -16.625 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.486 8.283 -17.159 1.00 0.00 H new ATOM 371 N ASP A 27 7.319 7.629 -11.034 1.00 0.00 N ATOM 372 CA ASP A 27 7.935 8.611 -10.159 1.00 0.00 C ATOM 373 C ASP A 27 7.890 8.102 -8.717 1.00 0.00 C ATOM 374 O ASP A 27 7.435 6.988 -8.462 1.00 0.00 O ATOM 375 CB ASP A 27 7.186 9.944 -10.212 1.00 0.00 C ATOM 376 CG ASP A 27 8.074 11.179 -10.374 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.189 11.010 -10.914 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.619 12.265 -9.954 1.00 0.00 O ATOM 0 H ASP A 27 6.622 7.035 -10.585 1.00 0.00 H new ATOM 0 HA ASP A 27 8.962 8.761 -10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.478 9.913 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.602 10.052 -9.298 1.00 0.00 H new ATOM 383 N CYS A 28 8.369 8.942 -7.811 1.00 0.00 N ATOM 384 CA CYS A 28 8.389 8.590 -6.401 1.00 0.00 C ATOM 385 C CYS A 28 7.353 9.451 -5.676 1.00 0.00 C ATOM 386 O CYS A 28 7.218 10.640 -5.963 1.00 0.00 O ATOM 387 CB CYS A 28 9.787 8.751 -5.798 1.00 0.00 C ATOM 388 SG CYS A 28 10.132 10.520 -5.481 1.00 0.00 S ATOM 0 H CYS A 28 8.746 9.865 -8.026 1.00 0.00 H new ATOM 0 HA CYS A 28 8.132 7.537 -6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.858 8.186 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.535 8.342 -6.478 1.00 0.00 H new ATOM 0 HG CYS A 28 9.028 11.201 -5.573 1.00 0.00 H new ATOM 394 N HIS A 29 6.647 8.818 -4.751 1.00 0.00 N ATOM 395 CA HIS A 29 5.627 9.511 -3.983 1.00 0.00 C ATOM 396 C HIS A 29 5.602 8.966 -2.553 1.00 0.00 C ATOM 397 O HIS A 29 5.196 7.828 -2.326 1.00 0.00 O ATOM 398 CB HIS A 29 4.267 9.416 -4.677 1.00 0.00 C ATOM 399 CG HIS A 29 3.819 10.702 -5.330 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.358 11.412 -6.362 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 2.693 11.397 -4.924 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 3.602 12.481 -6.576 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 2.569 12.474 -5.686 1.00 0.00 N flip ATOM 0 H HIS A 29 6.761 7.832 -4.516 1.00 0.00 H new ATOM 0 HA HIS A 29 5.868 10.573 -3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.311 8.632 -5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.518 9.112 -3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.200 11.163 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.028 11.110 -4.122 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.776 13.233 -7.331 1.00 0.00 H new ATOM 411 N GLU A 30 6.042 9.806 -1.627 1.00 0.00 N ATOM 412 CA GLU A 30 6.076 9.423 -0.226 1.00 0.00 C ATOM 413 C GLU A 30 4.688 9.576 0.400 1.00 0.00 C ATOM 414 O GLU A 30 4.045 10.614 0.248 1.00 0.00 O ATOM 415 CB GLU A 30 7.116 10.242 0.541 1.00 0.00 C ATOM 416 CG GLU A 30 8.337 9.389 0.889 1.00 0.00 C ATOM 417 CD GLU A 30 9.393 10.217 1.625 1.00 0.00 C ATOM 418 OE1 GLU A 30 9.342 11.457 1.482 1.00 0.00 O ATOM 419 OE2 GLU A 30 10.227 9.590 2.314 1.00 0.00 O ATOM 0 H GLU A 30 6.378 10.750 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 30 6.368 8.375 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.425 11.098 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.672 10.637 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.032 8.547 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.766 8.973 -0.023 1.00 0.00 H new ATOM 426 N PHE A 31 4.266 8.526 1.089 1.00 0.00 N ATOM 427 CA PHE A 31 2.966 8.530 1.738 1.00 0.00 C ATOM 428 C PHE A 31 3.113 8.553 3.261 1.00 0.00 C ATOM 429 O PHE A 31 4.214 8.385 3.784 1.00 0.00 O ATOM 430 CB PHE A 31 2.255 7.240 1.325 1.00 0.00 C ATOM 431 CG PHE A 31 1.595 7.307 -0.053 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.364 7.358 -1.174 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.239 7.315 -0.158 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.751 7.420 -2.453 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.374 7.377 -1.437 1.00 0.00 C ATOM 436 CZ PHE A 31 0.395 7.428 -2.558 1.00 0.00 C ATOM 0 H PHE A 31 4.801 7.667 1.212 1.00 0.00 H new ATOM 0 HA PHE A 31 2.405 9.416 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.975 6.422 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.495 7.002 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.441 7.351 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.372 7.274 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.362 7.461 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.451 7.384 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.071 7.475 -3.531 1.00 0.00 H new ATOM 446 N PHE A 32 1.988 8.762 3.929 1.00 0.00 N ATOM 447 CA PHE A 32 1.979 8.808 5.382 1.00 0.00 C ATOM 448 C PHE A 32 0.755 8.082 5.945 1.00 0.00 C ATOM 449 O PHE A 32 -0.345 8.632 5.958 1.00 0.00 O ATOM 450 CB PHE A 32 1.911 10.283 5.782 1.00 0.00 C ATOM 451 CG PHE A 32 3.185 11.072 5.470 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.425 11.502 4.203 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.077 11.342 6.461 1.00 0.00 C ATOM 454 CE1 PHE A 32 4.607 12.234 3.913 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.259 12.074 6.172 1.00 0.00 C ATOM 456 CZ PHE A 32 5.499 12.504 4.904 1.00 0.00 C ATOM 0 H PHE A 32 1.077 8.901 3.492 1.00 0.00 H new ATOM 0 HA PHE A 32 2.871 8.320 5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.071 10.750 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.707 10.350 6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.717 11.287 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.886 11.000 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.798 12.576 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.967 12.289 6.959 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.398 13.060 4.684 1.00 0.00 H new ATOM 466 N LEU A 33 0.988 6.859 6.397 1.00 0.00 N ATOM 467 CA LEU A 33 -0.081 6.053 6.960 1.00 0.00 C ATOM 468 C LEU A 33 0.420 5.364 8.231 1.00 0.00 C ATOM 469 O LEU A 33 1.624 5.318 8.483 1.00 0.00 O ATOM 470 CB LEU A 33 -0.630 5.083 5.912 1.00 0.00 C ATOM 471 CG LEU A 33 0.354 4.036 5.386 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.603 4.700 4.804 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.702 3.016 6.472 1.00 0.00 C ATOM 0 H LEU A 33 1.902 6.406 6.385 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.921 6.684 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.488 4.564 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.999 5.664 5.066 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.129 3.492 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.285 3.933 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.317 5.355 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.098 5.286 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.403 2.283 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.157 3.528 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.206 2.509 6.799 1.00 0.00 H new ATOM 485 N ALA A 34 -0.527 4.847 8.999 1.00 0.00 N ATOM 486 CA ALA A 34 -0.197 4.163 10.238 1.00 0.00 C ATOM 487 C ALA A 34 0.981 3.218 9.995 1.00 0.00 C ATOM 488 O ALA A 34 1.039 2.543 8.969 1.00 0.00 O ATOM 489 CB ALA A 34 -1.434 3.431 10.762 1.00 0.00 C ATOM 0 H ALA A 34 -1.524 4.888 8.787 1.00 0.00 H new ATOM 0 HA ALA A 34 0.106 4.878 11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.187 2.918 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.232 4.151 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.766 2.702 10.022 1.00 0.00 H new ATOM 495 N GLU A 35 1.892 3.200 10.957 1.00 0.00 N ATOM 496 CA GLU A 35 3.066 2.349 10.861 1.00 0.00 C ATOM 497 C GLU A 35 2.695 0.897 11.168 1.00 0.00 C ATOM 498 O GLU A 35 3.457 -0.020 10.865 1.00 0.00 O ATOM 499 CB GLU A 35 4.177 2.840 11.791 1.00 0.00 C ATOM 500 CG GLU A 35 3.783 2.660 13.258 1.00 0.00 C ATOM 501 CD GLU A 35 5.006 2.331 14.118 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.675 1.327 13.792 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.244 3.091 15.081 1.00 0.00 O ATOM 0 H GLU A 35 1.841 3.761 11.807 1.00 0.00 H new ATOM 0 HA GLU A 35 3.444 2.399 9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.096 2.290 11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.384 3.892 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.310 3.571 13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.047 1.861 13.345 1.00 0.00 H new ATOM 510 N ASN A 36 1.524 0.733 11.767 1.00 0.00 N ATOM 511 CA ASN A 36 1.043 -0.592 12.119 1.00 0.00 C ATOM 512 C ASN A 36 -0.147 -0.951 11.227 1.00 0.00 C ATOM 513 O ASN A 36 -0.853 -1.924 11.490 1.00 0.00 O ATOM 514 CB ASN A 36 0.574 -0.639 13.575 1.00 0.00 C ATOM 515 CG ASN A 36 1.552 0.101 14.490 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.759 -0.058 14.410 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.965 0.916 15.362 1.00 0.00 N ATOM 0 H ASN A 36 0.895 1.496 12.017 1.00 0.00 H new ATOM 0 HA ASN A 36 1.863 -1.296 11.982 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.416 -0.191 13.657 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.482 -1.676 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.531 1.455 16.017 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.051 1.002 15.375 1.00 0.00 H new ATOM 524 N SER A 37 -0.333 -0.147 10.191 1.00 0.00 N ATOM 525 CA SER A 37 -1.425 -0.368 9.259 1.00 0.00 C ATOM 526 C SER A 37 -1.097 -1.545 8.337 1.00 0.00 C ATOM 527 O SER A 37 -0.203 -1.450 7.499 1.00 0.00 O ATOM 528 CB SER A 37 -1.709 0.889 8.434 1.00 0.00 C ATOM 529 OG SER A 37 -2.801 1.638 8.960 1.00 0.00 O ATOM 0 H SER A 37 0.254 0.659 9.976 1.00 0.00 H new ATOM 0 HA SER A 37 -2.321 -0.603 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.818 1.516 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.927 0.605 7.404 1.00 0.00 H new ATOM 0 HG SER A 37 -2.909 2.465 8.445 1.00 0.00 H new ATOM 535 N ASN A 38 -1.839 -2.626 8.525 1.00 0.00 N ATOM 536 CA ASN A 38 -1.638 -3.820 7.721 1.00 0.00 C ATOM 537 C ASN A 38 -1.325 -3.412 6.280 1.00 0.00 C ATOM 538 O ASN A 38 -1.759 -2.356 5.822 1.00 0.00 O ATOM 539 CB ASN A 38 -2.896 -4.690 7.703 1.00 0.00 C ATOM 540 CG ASN A 38 -4.157 -3.830 7.603 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.455 -3.016 8.463 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.880 -4.054 6.510 1.00 0.00 N ATOM 0 H ASN A 38 -2.580 -2.700 9.222 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.815 -4.386 8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.854 -5.379 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.936 -5.296 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.741 -3.530 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.574 -4.750 5.830 1.00 0.00 H new ATOM 549 N VAL A 39 -0.575 -4.271 5.605 1.00 0.00 N ATOM 550 CA VAL A 39 -0.200 -4.013 4.225 1.00 0.00 C ATOM 551 C VAL A 39 -1.443 -3.610 3.430 1.00 0.00 C ATOM 552 O VAL A 39 -1.449 -2.575 2.765 1.00 0.00 O ATOM 553 CB VAL A 39 0.514 -5.234 3.641 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.639 -5.120 2.120 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.886 -5.430 4.290 1.00 0.00 C ATOM 0 H VAL A 39 -0.217 -5.146 5.988 1.00 0.00 H new ATOM 0 HA VAL A 39 0.504 -3.183 4.169 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.090 -6.113 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.150 -6.000 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.355 -5.051 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.211 -4.227 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.372 -6.304 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.501 -4.548 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.763 -5.578 5.363 1.00 0.00 H new ATOM 565 N ARG A 40 -2.464 -4.448 3.524 1.00 0.00 N ATOM 566 CA ARG A 40 -3.710 -4.192 2.821 1.00 0.00 C ATOM 567 C ARG A 40 -4.040 -2.698 2.854 1.00 0.00 C ATOM 568 O ARG A 40 -4.093 -2.048 1.811 1.00 0.00 O ATOM 569 CB ARG A 40 -4.866 -4.977 3.444 1.00 0.00 C ATOM 570 CG ARG A 40 -5.696 -5.678 2.367 1.00 0.00 C ATOM 571 CD ARG A 40 -7.180 -5.687 2.738 1.00 0.00 C ATOM 572 NE ARG A 40 -7.833 -6.895 2.185 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.141 -7.161 2.300 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.944 -6.307 2.949 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.646 -8.282 1.767 1.00 0.00 N ATOM 0 H ARG A 40 -2.454 -5.305 4.076 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.581 -4.517 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.474 -5.715 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.502 -4.302 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.560 -5.172 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.343 -6.701 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.292 -5.667 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.666 -4.791 2.350 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.251 -7.567 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.559 -5.454 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.940 -6.510 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.035 -8.933 1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.642 -8.485 1.855 1.00 0.00 H new ATOM 589 N ARG A 41 -4.254 -2.199 4.062 1.00 0.00 N ATOM 590 CA ARG A 41 -4.577 -0.794 4.245 1.00 0.00 C ATOM 591 C ARG A 41 -3.661 0.078 3.384 1.00 0.00 C ATOM 592 O ARG A 41 -4.136 0.883 2.585 1.00 0.00 O ATOM 593 CB ARG A 41 -4.433 -0.382 5.711 1.00 0.00 C ATOM 594 CG ARG A 41 -5.671 -0.781 6.517 1.00 0.00 C ATOM 595 CD ARG A 41 -6.026 0.295 7.545 1.00 0.00 C ATOM 596 NE ARG A 41 -7.256 -0.087 8.274 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.494 0.044 7.779 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.674 0.550 6.551 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.552 -0.329 8.512 1.00 0.00 N ATOM 0 H ARG A 41 -4.210 -2.742 4.924 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.613 -0.650 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.548 -0.853 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.284 0.696 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.513 -0.937 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.489 -1.728 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.203 0.424 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.172 1.253 7.045 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.155 -0.474 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.869 0.835 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.616 0.650 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.415 -0.713 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.494 -0.229 8.135 1.00 0.00 H new ATOM 613 N PHE A 42 -2.364 -0.112 3.577 1.00 0.00 N ATOM 614 CA PHE A 42 -1.377 0.647 2.829 1.00 0.00 C ATOM 615 C PHE A 42 -1.681 0.614 1.330 1.00 0.00 C ATOM 616 O PHE A 42 -1.587 1.636 0.651 1.00 0.00 O ATOM 617 CB PHE A 42 -0.021 -0.016 3.076 1.00 0.00 C ATOM 618 CG PHE A 42 1.175 0.829 2.633 1.00 0.00 C ATOM 619 CD1 PHE A 42 0.975 2.064 2.098 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.439 0.346 2.772 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.085 2.848 1.687 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.549 1.130 2.361 1.00 0.00 C ATOM 623 CZ PHE A 42 3.348 2.364 1.826 1.00 0.00 C ATOM 0 H PHE A 42 -1.974 -0.781 4.241 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.386 1.688 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.076 -0.235 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.007 -0.970 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.028 2.448 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.598 -0.635 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.926 3.829 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.552 0.747 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.192 2.960 1.511 1.00 0.00 H new ATOM 633 N LYS A 43 -2.040 -0.570 0.857 1.00 0.00 N ATOM 634 CA LYS A 43 -2.359 -0.750 -0.549 1.00 0.00 C ATOM 635 C LYS A 43 -3.554 0.134 -0.914 1.00 0.00 C ATOM 636 O LYS A 43 -3.542 0.806 -1.944 1.00 0.00 O ATOM 637 CB LYS A 43 -2.571 -2.231 -0.866 1.00 0.00 C ATOM 638 CG LYS A 43 -1.273 -3.021 -0.687 1.00 0.00 C ATOM 639 CD LYS A 43 -1.561 -4.457 -0.244 1.00 0.00 C ATOM 640 CE LYS A 43 -0.719 -5.456 -1.039 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.577 -6.252 -1.945 1.00 0.00 N ATOM 0 H LYS A 43 -2.117 -1.415 1.423 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.523 -0.431 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.343 -2.639 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.929 -2.340 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.717 -3.031 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.642 -2.528 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.348 -4.563 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.619 -4.678 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.036 -4.924 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.189 -6.119 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.600 -7.240 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.542 -5.864 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.193 -6.212 -2.911 1.00 0.00 H new ATOM 655 N LYS A 44 -4.557 0.104 -0.048 1.00 0.00 N ATOM 656 CA LYS A 44 -5.757 0.894 -0.266 1.00 0.00 C ATOM 657 C LYS A 44 -5.369 2.363 -0.449 1.00 0.00 C ATOM 658 O LYS A 44 -5.842 3.023 -1.373 1.00 0.00 O ATOM 659 CB LYS A 44 -6.765 0.660 0.861 1.00 0.00 C ATOM 660 CG LYS A 44 -7.613 -0.584 0.588 1.00 0.00 C ATOM 661 CD LYS A 44 -8.577 -0.855 1.745 1.00 0.00 C ATOM 662 CE LYS A 44 -9.288 -2.197 1.563 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.441 -2.302 2.486 1.00 0.00 N ATOM 0 H LYS A 44 -4.563 -0.455 0.805 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.259 0.580 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.237 0.544 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.412 1.531 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.176 -0.449 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.963 -1.447 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.029 -0.855 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.314 -0.054 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.629 -2.298 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.590 -3.013 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.913 -3.219 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.107 -2.227 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.114 -1.534 2.289 1.00 0.00 H new ATOM 677 N GLN A 45 -4.513 2.832 0.446 1.00 0.00 N ATOM 678 CA GLN A 45 -4.056 4.210 0.395 1.00 0.00 C ATOM 679 C GLN A 45 -3.575 4.558 -1.015 1.00 0.00 C ATOM 680 O GLN A 45 -3.761 5.682 -1.478 1.00 0.00 O ATOM 681 CB GLN A 45 -2.956 4.462 1.428 1.00 0.00 C ATOM 682 CG GLN A 45 -3.339 5.605 2.370 1.00 0.00 C ATOM 683 CD GLN A 45 -2.162 6.559 2.582 1.00 0.00 C ATOM 684 OE1 GLN A 45 -0.999 5.946 2.787 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -2.300 7.771 2.561 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.123 2.282 1.211 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.896 4.860 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.779 3.554 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.023 4.703 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.186 6.153 1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.659 5.198 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.222 8.177 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.494 8.379 2.706 1.00 0.00 H new ATOM 694 N ILE A 46 -2.965 3.573 -1.657 1.00 0.00 N ATOM 695 CA ILE A 46 -2.456 3.761 -3.005 1.00 0.00 C ATOM 696 C ILE A 46 -3.628 3.811 -3.986 1.00 0.00 C ATOM 697 O ILE A 46 -3.668 4.668 -4.868 1.00 0.00 O ATOM 698 CB ILE A 46 -1.419 2.687 -3.341 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.275 2.692 -2.324 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.912 2.843 -4.775 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.217 1.271 -2.046 1.00 0.00 C ATOM 0 H ILE A 46 -2.812 2.642 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.932 4.714 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.903 1.713 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.549 3.299 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.611 3.153 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.176 2.067 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.748 2.750 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.450 3.823 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.030 1.303 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.603 0.674 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.575 0.822 -2.972 1.00 0.00 H new ATOM 713 N SER A 47 -4.555 2.882 -3.801 1.00 0.00 N ATOM 714 CA SER A 47 -5.725 2.810 -4.659 1.00 0.00 C ATOM 715 C SER A 47 -6.473 4.144 -4.637 1.00 0.00 C ATOM 716 O SER A 47 -7.222 4.456 -5.562 1.00 0.00 O ATOM 717 CB SER A 47 -6.654 1.673 -4.228 1.00 0.00 C ATOM 718 OG SER A 47 -7.410 2.012 -3.069 1.00 0.00 O ATOM 0 H SER A 47 -4.519 2.173 -3.069 1.00 0.00 H new ATOM 0 HA SER A 47 -5.391 2.605 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.333 1.430 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.064 0.779 -4.027 1.00 0.00 H new ATOM 0 HG SER A 47 -6.879 2.600 -2.492 1.00 0.00 H new ATOM 724 N LYS A 48 -6.244 4.897 -3.571 1.00 0.00 N ATOM 725 CA LYS A 48 -6.887 6.191 -3.416 1.00 0.00 C ATOM 726 C LYS A 48 -6.287 7.177 -4.420 1.00 0.00 C ATOM 727 O LYS A 48 -7.005 7.751 -5.237 1.00 0.00 O ATOM 728 CB LYS A 48 -6.799 6.663 -1.963 1.00 0.00 C ATOM 729 CG LYS A 48 -7.608 5.750 -1.040 1.00 0.00 C ATOM 730 CD LYS A 48 -8.750 6.518 -0.373 1.00 0.00 C ATOM 731 CE LYS A 48 -9.782 5.558 0.223 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.152 5.971 -0.154 1.00 0.00 N ATOM 0 H LYS A 48 -5.622 4.636 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.951 6.116 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.757 6.677 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.170 7.685 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.012 4.915 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.955 5.327 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.351 7.161 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.232 7.168 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.591 4.545 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.687 5.541 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.840 5.309 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.336 6.930 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.244 5.965 -1.190 1.00 0.00 H new ATOM 746 N TYR A 49 -4.976 7.344 -4.327 1.00 0.00 N ATOM 747 CA TYR A 49 -4.271 8.250 -5.217 1.00 0.00 C ATOM 748 C TYR A 49 -4.045 7.608 -6.587 1.00 0.00 C ATOM 749 O TYR A 49 -4.661 8.009 -7.573 1.00 0.00 O ATOM 750 CB TYR A 49 -2.914 8.515 -4.561 1.00 0.00 C ATOM 751 CG TYR A 49 -1.959 9.345 -5.421 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.283 10.644 -5.757 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.773 8.794 -5.862 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.384 11.425 -6.566 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.126 9.575 -6.672 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.224 10.852 -6.984 1.00 0.00 C ATOM 757 OH TYR A 49 0.626 11.589 -7.748 1.00 0.00 O ATOM 0 H TYR A 49 -4.383 6.867 -3.648 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.847 9.163 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.074 9.030 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.441 7.561 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.212 11.075 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.519 7.778 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.625 12.443 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.057 9.156 -7.024 1.00 0.00 H new ATOM 0 HH TYR A 49 1.221 12.108 -7.168 1.00 0.00 H new ATOM 767 N LEU A 50 -3.160 6.622 -6.605 1.00 0.00 N ATOM 768 CA LEU A 50 -2.846 5.921 -7.838 1.00 0.00 C ATOM 769 C LEU A 50 -4.139 5.645 -8.607 1.00 0.00 C ATOM 770 O LEU A 50 -4.128 5.550 -9.833 1.00 0.00 O ATOM 771 CB LEU A 50 -2.025 4.663 -7.544 1.00 0.00 C ATOM 772 CG LEU A 50 -0.506 4.817 -7.640 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.046 5.576 -6.431 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.172 3.457 -7.821 1.00 0.00 C ATOM 0 H LEU A 50 -2.651 6.292 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.220 6.541 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.273 4.318 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.336 3.880 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.278 5.411 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.128 5.672 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.404 6.568 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.193 5.030 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.251 3.594 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.061 2.818 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.190 2.989 -8.736 1.00 0.00 H new ATOM 786 N HIS A 51 -5.223 5.525 -7.855 1.00 0.00 N ATOM 787 CA HIS A 51 -6.522 5.262 -8.450 1.00 0.00 C ATOM 788 C HIS A 51 -6.489 3.920 -9.183 1.00 0.00 C ATOM 789 O HIS A 51 -6.883 3.832 -10.345 1.00 0.00 O ATOM 790 CB HIS A 51 -6.950 6.420 -9.354 1.00 0.00 C ATOM 791 CG HIS A 51 -7.351 7.668 -8.605 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.806 8.919 -8.599 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -8.431 7.709 -7.740 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.516 9.682 -7.777 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -8.523 8.933 -7.243 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.228 5.605 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.276 5.190 -7.667 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.130 6.662 -10.030 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.787 6.095 -9.972 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.087 6.883 -7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.327 10.724 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.224 9.259 -6.577 1.00 0.00 H new ATOM 803 N CYS A 52 -6.015 2.906 -8.473 1.00 0.00 N ATOM 804 CA CYS A 52 -5.925 1.572 -9.041 1.00 0.00 C ATOM 805 C CYS A 52 -6.724 0.616 -8.153 1.00 0.00 C ATOM 806 O CYS A 52 -7.496 1.054 -7.301 1.00 0.00 O ATOM 807 CB CYS A 52 -4.471 1.122 -9.201 1.00 0.00 C ATOM 808 SG CYS A 52 -3.535 2.360 -10.170 1.00 0.00 S ATOM 0 H CYS A 52 -5.689 2.982 -7.509 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.349 1.573 -10.045 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.012 0.993 -8.221 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.434 0.154 -9.700 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.073 3.533 -10.011 1.00 0.00 H new ATOM 814 N ASN A 53 -6.511 -0.671 -8.382 1.00 0.00 N ATOM 815 CA ASN A 53 -7.201 -1.692 -7.613 1.00 0.00 C ATOM 816 C ASN A 53 -6.209 -2.370 -6.666 1.00 0.00 C ATOM 817 O ASN A 53 -5.208 -2.931 -7.108 1.00 0.00 O ATOM 818 CB ASN A 53 -7.790 -2.767 -8.529 1.00 0.00 C ATOM 819 CG ASN A 53 -9.285 -2.534 -8.757 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.732 -1.436 -9.046 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.031 -3.626 -8.611 1.00 0.00 N ATOM 0 H ASN A 53 -5.870 -1.030 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.006 -1.210 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.267 -2.761 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.635 -3.751 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.041 -3.575 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.593 -4.514 -8.368 1.00 0.00 H new ATOM 828 N ALA A 54 -6.521 -2.295 -5.380 1.00 0.00 N ATOM 829 CA ALA A 54 -5.670 -2.894 -4.367 1.00 0.00 C ATOM 830 C ALA A 54 -5.465 -4.375 -4.690 1.00 0.00 C ATOM 831 O ALA A 54 -4.451 -4.962 -4.314 1.00 0.00 O ATOM 832 CB ALA A 54 -6.291 -2.678 -2.985 1.00 0.00 C ATOM 0 H ALA A 54 -7.352 -1.828 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.689 -2.420 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.652 -3.128 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.387 -1.609 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.276 -3.143 -2.952 1.00 0.00 H new ATOM 838 N ASP A 55 -6.444 -4.938 -5.383 1.00 0.00 N ATOM 839 CA ASP A 55 -6.385 -6.340 -5.760 1.00 0.00 C ATOM 840 C ASP A 55 -5.256 -6.543 -6.773 1.00 0.00 C ATOM 841 O ASP A 55 -4.709 -7.639 -6.887 1.00 0.00 O ATOM 842 CB ASP A 55 -7.693 -6.791 -6.413 1.00 0.00 C ATOM 843 CG ASP A 55 -8.330 -8.035 -5.792 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.898 -9.144 -6.172 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.236 -7.848 -4.950 1.00 0.00 O ATOM 0 H ASP A 55 -7.283 -4.448 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.213 -6.925 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.409 -5.971 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.506 -6.986 -7.469 1.00 0.00 H new ATOM 850 N ARG A 56 -4.941 -5.470 -7.483 1.00 0.00 N ATOM 851 CA ARG A 56 -3.887 -5.517 -8.482 1.00 0.00 C ATOM 852 C ARG A 56 -2.610 -4.874 -7.938 1.00 0.00 C ATOM 853 O ARG A 56 -1.615 -4.759 -8.652 1.00 0.00 O ATOM 854 CB ARG A 56 -4.309 -4.791 -9.762 1.00 0.00 C ATOM 855 CG ARG A 56 -5.670 -5.290 -10.251 1.00 0.00 C ATOM 856 CD ARG A 56 -5.541 -6.648 -10.943 1.00 0.00 C ATOM 857 NE ARG A 56 -6.616 -6.809 -11.947 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.778 -7.901 -12.706 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.935 -8.935 -12.580 1.00 0.00 N ATOM 860 NH2 ARG A 56 -7.782 -7.960 -13.591 1.00 0.00 N ATOM 0 H ARG A 56 -5.397 -4.563 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.699 -6.565 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.356 -3.718 -9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.560 -4.948 -10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.356 -5.372 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.100 -4.565 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.567 -6.728 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.598 -7.448 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.275 -6.040 -12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.170 -8.890 -11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.058 -9.767 -13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.424 -7.173 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.905 -8.792 -14.168 1.00 0.00 H new ATOM 874 N LEU A 57 -2.679 -4.471 -6.677 1.00 0.00 N ATOM 875 CA LEU A 57 -1.541 -3.843 -6.029 1.00 0.00 C ATOM 876 C LEU A 57 -0.793 -4.888 -5.197 1.00 0.00 C ATOM 877 O LEU A 57 -1.412 -5.738 -4.560 1.00 0.00 O ATOM 878 CB LEU A 57 -1.989 -2.622 -5.223 1.00 0.00 C ATOM 879 CG LEU A 57 -2.572 -1.462 -6.032 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.260 -0.447 -5.118 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.500 -0.811 -6.908 1.00 0.00 C ATOM 0 H LEU A 57 -3.506 -4.568 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.840 -3.465 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.736 -2.944 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.134 -2.251 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.335 -1.861 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.666 0.367 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.069 -0.936 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.536 -0.048 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.941 0.011 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.698 -0.428 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.096 -1.551 -7.599 1.00 0.00 H new ATOM 893 N VAL A 58 0.528 -4.789 -5.231 1.00 0.00 N ATOM 894 CA VAL A 58 1.367 -5.714 -4.488 1.00 0.00 C ATOM 895 C VAL A 58 2.382 -4.923 -3.660 1.00 0.00 C ATOM 896 O VAL A 58 3.046 -4.026 -4.177 1.00 0.00 O ATOM 897 CB VAL A 58 2.023 -6.710 -5.446 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.835 -7.755 -4.679 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.978 -7.377 -6.343 1.00 0.00 C ATOM 0 H VAL A 58 1.038 -4.082 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 58 0.767 -6.300 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 58 2.710 -6.157 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.291 -8.451 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.616 -7.258 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.178 -8.302 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.471 -8.080 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.255 -7.910 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.463 -6.616 -6.929 1.00 0.00 H new ATOM 909 N LEU A 59 2.471 -5.285 -2.389 1.00 0.00 N ATOM 910 CA LEU A 59 3.394 -4.621 -1.484 1.00 0.00 C ATOM 911 C LEU A 59 4.731 -5.365 -1.490 1.00 0.00 C ATOM 912 O LEU A 59 4.770 -6.580 -1.298 1.00 0.00 O ATOM 913 CB LEU A 59 2.774 -4.482 -0.093 1.00 0.00 C ATOM 914 CG LEU A 59 2.693 -3.060 0.466 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.070 -2.567 0.913 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.044 -2.110 -0.544 1.00 0.00 C ATOM 0 H LEU A 59 1.919 -6.030 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 59 3.593 -3.604 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.767 -4.897 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.350 -5.092 0.603 1.00 0.00 H new ATOM 0 HG LEU A 59 2.055 -3.076 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.984 -1.554 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.458 -3.226 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.751 -2.569 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.999 -1.106 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.636 -2.092 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.035 -2.454 -0.771 1.00 0.00 H new ATOM 928 N ILE A 60 5.794 -4.606 -1.712 1.00 0.00 N ATOM 929 CA ILE A 60 7.129 -5.178 -1.745 1.00 0.00 C ATOM 930 C ILE A 60 8.093 -4.256 -0.997 1.00 0.00 C ATOM 931 O ILE A 60 8.285 -3.105 -1.387 1.00 0.00 O ATOM 932 CB ILE A 60 7.551 -5.471 -3.186 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.576 -6.441 -3.857 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.994 -5.977 -3.243 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.657 -5.706 -4.834 1.00 0.00 C ATOM 0 H ILE A 60 5.758 -3.599 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 60 7.144 -6.139 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 60 7.515 -4.538 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.133 -7.213 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.977 -6.944 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.269 -6.178 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.661 -5.220 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.081 -6.894 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.974 -6.418 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.084 -4.951 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.257 -5.224 -5.606 1.00 0.00 H new ATOM 947 N PHE A 61 8.675 -4.795 0.064 1.00 0.00 N ATOM 948 CA PHE A 61 9.615 -4.035 0.870 1.00 0.00 C ATOM 949 C PHE A 61 10.976 -4.732 0.929 1.00 0.00 C ATOM 950 O PHE A 61 11.098 -5.815 1.498 1.00 0.00 O ATOM 951 CB PHE A 61 9.033 -3.958 2.283 1.00 0.00 C ATOM 952 CG PHE A 61 10.047 -3.549 3.353 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.344 -2.236 3.542 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.652 -4.500 4.114 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.286 -1.857 4.535 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.594 -4.121 5.107 1.00 0.00 C ATOM 957 CZ PHE A 61 11.891 -2.807 5.297 1.00 0.00 C ATOM 0 H PHE A 61 8.514 -5.750 0.384 1.00 0.00 H new ATOM 0 HA PHE A 61 9.762 -3.046 0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.209 -3.245 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.615 -4.930 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.864 -1.481 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.416 -5.543 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.522 -0.814 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.075 -4.876 5.711 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.607 -2.519 6.053 1.00 0.00 H new ATOM 967 N THR A 62 11.964 -4.081 0.334 1.00 0.00 N ATOM 968 CA THR A 62 13.312 -4.625 0.312 1.00 0.00 C ATOM 969 C THR A 62 13.442 -5.681 -0.787 1.00 0.00 C ATOM 970 O THR A 62 14.501 -6.288 -0.947 1.00 0.00 O ATOM 971 CB THR A 62 13.629 -5.159 1.710 1.00 0.00 C ATOM 972 OG1 THR A 62 15.001 -4.827 1.906 1.00 0.00 O ATOM 973 CG2 THR A 62 13.603 -6.688 1.772 1.00 0.00 C ATOM 0 H THR A 62 11.859 -3.182 -0.137 1.00 0.00 H new ATOM 0 HA THR A 62 14.046 -3.856 0.069 1.00 0.00 H new ATOM 0 HB THR A 62 12.912 -4.754 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.289 -5.136 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.834 -7.015 2.786 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.612 -7.047 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.344 -7.093 1.082 1.00 0.00 H new ATOM 981 N GLY A 63 12.352 -5.870 -1.515 1.00 0.00 N ATOM 982 CA GLY A 63 12.331 -6.843 -2.594 1.00 0.00 C ATOM 983 C GLY A 63 11.547 -8.093 -2.190 1.00 0.00 C ATOM 984 O GLY A 63 11.286 -8.962 -3.021 1.00 0.00 O ATOM 0 H GLY A 63 11.476 -5.366 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.881 -6.398 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.351 -7.119 -2.859 1.00 0.00 H new ATOM 988 N LYS A 64 11.194 -8.144 -0.915 1.00 0.00 N ATOM 989 CA LYS A 64 10.445 -9.274 -0.391 1.00 0.00 C ATOM 990 C LYS A 64 8.962 -8.905 -0.313 1.00 0.00 C ATOM 991 O LYS A 64 8.586 -7.974 0.398 1.00 0.00 O ATOM 992 CB LYS A 64 11.034 -9.734 0.944 1.00 0.00 C ATOM 993 CG LYS A 64 12.365 -10.460 0.735 1.00 0.00 C ATOM 994 CD LYS A 64 12.170 -11.978 0.753 1.00 0.00 C ATOM 995 CE LYS A 64 13.338 -12.689 0.067 1.00 0.00 C ATOM 996 NZ LYS A 64 13.148 -14.156 0.108 1.00 0.00 N ATOM 0 H LYS A 64 11.412 -7.422 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 64 10.527 -10.129 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.184 -8.873 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.330 -10.396 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.803 -10.157 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.068 -10.171 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.083 -12.325 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.238 -12.234 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.417 -12.355 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.273 -12.424 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.950 -14.623 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.095 -14.472 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.266 -14.406 -0.383 1.00 0.00 H new ATOM 1010 N ILE A 65 8.159 -9.654 -1.055 1.00 0.00 N ATOM 1011 CA ILE A 65 6.726 -9.418 -1.080 1.00 0.00 C ATOM 1012 C ILE A 65 6.157 -9.616 0.327 1.00 0.00 C ATOM 1013 O ILE A 65 6.645 -10.451 1.086 1.00 0.00 O ATOM 1014 CB ILE A 65 6.057 -10.292 -2.142 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.361 -9.773 -3.550 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.553 -10.411 -1.888 1.00 0.00 C ATOM 1017 CD1 ILE A 65 6.838 -10.906 -4.460 1.00 0.00 C ATOM 0 H ILE A 65 8.474 -10.425 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 65 6.514 -8.388 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 65 6.475 -11.296 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.468 -9.314 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.125 -8.997 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.102 -11.038 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.384 -10.860 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.100 -9.420 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.047 -10.511 -5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.745 -11.347 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.062 -11.669 -4.529 1.00 0.00 H new ATOM 1029 N LEU A 66 5.131 -8.833 0.631 1.00 0.00 N ATOM 1030 CA LEU A 66 4.491 -8.912 1.932 1.00 0.00 C ATOM 1031 C LEU A 66 3.043 -9.376 1.756 1.00 0.00 C ATOM 1032 O LEU A 66 2.579 -9.560 0.632 1.00 0.00 O ATOM 1033 CB LEU A 66 4.623 -7.582 2.677 1.00 0.00 C ATOM 1034 CG LEU A 66 5.920 -6.806 2.437 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.683 -5.298 2.535 1.00 0.00 C ATOM 1036 CD2 LEU A 66 7.024 -7.276 3.387 1.00 0.00 C ATOM 0 H LEU A 66 4.728 -8.142 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 66 4.991 -9.652 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.784 -6.945 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.531 -7.776 3.746 1.00 0.00 H new ATOM 0 HG LEU A 66 6.259 -7.013 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.621 -4.770 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.951 -4.995 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.308 -5.052 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.935 -6.709 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.708 -7.118 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.216 -8.337 3.225 1.00 0.00 H new ATOM 1048 N ARG A 67 2.370 -9.552 2.884 1.00 0.00 N ATOM 1049 CA ARG A 67 0.985 -9.991 2.868 1.00 0.00 C ATOM 1050 C ARG A 67 0.090 -8.946 3.537 1.00 0.00 C ATOM 1051 O ARG A 67 0.567 -8.119 4.313 1.00 0.00 O ATOM 1052 CB ARG A 67 0.824 -11.330 3.592 1.00 0.00 C ATOM 1053 CG ARG A 67 1.528 -12.453 2.828 1.00 0.00 C ATOM 1054 CD ARG A 67 0.690 -12.913 1.633 1.00 0.00 C ATOM 1055 NE ARG A 67 1.541 -13.650 0.672 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.070 -14.323 -0.386 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.248 -14.357 -0.626 1.00 0.00 N ATOM 1058 NH2 ARG A 67 1.916 -14.963 -1.204 1.00 0.00 N ATOM 0 H ARG A 67 2.758 -9.399 3.815 1.00 0.00 H new ATOM 0 HA ARG A 67 0.688 -10.116 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.236 -11.256 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.235 -11.565 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.502 -12.107 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.708 -13.295 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.125 -13.552 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.236 -12.051 1.143 1.00 0.00 H new ATOM 0 HE ARG A 67 2.549 -13.645 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.893 -13.870 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.607 -14.869 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.919 -14.938 -1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.557 -15.475 -2.010 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.193 -9.018 3.213 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.159 -8.089 3.773 1.00 0.00 C ATOM 1074 C ASP A 68 -2.272 -8.323 5.281 1.00 0.00 C ATOM 1075 O ASP A 68 -2.507 -7.387 6.042 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.544 -8.297 3.157 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.095 -9.720 3.272 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -4.685 -10.017 4.333 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -3.914 -10.479 2.295 1.00 0.00 O ATOM 0 H ASP A 68 -1.586 -9.705 2.570 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.817 -7.077 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.244 -7.612 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.501 -8.024 2.103 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.099 -9.579 5.666 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.178 -9.949 7.069 1.00 0.00 C ATOM 1086 C GLN A 69 -0.858 -9.635 7.776 1.00 0.00 C ATOM 1087 O GLN A 69 -0.683 -9.964 8.948 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.547 -11.425 7.228 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.587 -12.318 6.438 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.608 -13.752 6.971 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.213 -14.055 7.987 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -0.916 -14.614 6.232 1.00 0.00 N ATOM 0 H GLN A 69 -1.904 -10.353 5.031 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.967 -9.359 7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.520 -11.699 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.568 -11.588 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.865 -12.314 5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.575 -11.917 6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.433 -14.293 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.868 -15.596 6.504 1.00 0.00 H new ATOM 1101 N ASP A 70 0.038 -9.001 7.034 1.00 0.00 N ATOM 1102 CA ASP A 70 1.337 -8.639 7.575 1.00 0.00 C ATOM 1103 C ASP A 70 1.364 -7.136 7.862 1.00 0.00 C ATOM 1104 O ASP A 70 0.937 -6.334 7.033 1.00 0.00 O ATOM 1105 CB ASP A 70 2.455 -8.949 6.577 1.00 0.00 C ATOM 1106 CG ASP A 70 2.683 -10.437 6.304 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.212 -11.245 7.133 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.323 -10.733 5.271 1.00 0.00 O ATOM 0 H ASP A 70 -0.110 -8.729 6.062 1.00 0.00 H new ATOM 0 HA ASP A 70 1.496 -9.216 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.228 -8.453 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.384 -8.517 6.949 1.00 0.00 H new ATOM 1113 N ILE A 71 1.870 -6.801 9.040 1.00 0.00 N ATOM 1114 CA ILE A 71 1.958 -5.409 9.448 1.00 0.00 C ATOM 1115 C ILE A 71 3.288 -4.825 8.968 1.00 0.00 C ATOM 1116 O ILE A 71 4.324 -5.483 9.048 1.00 0.00 O ATOM 1117 CB ILE A 71 1.737 -5.277 10.956 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.264 -5.486 11.314 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.269 -3.939 11.473 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.279 -6.767 10.678 1.00 0.00 C ATOM 0 H ILE A 71 2.223 -7.469 9.725 1.00 0.00 H new ATOM 0 HA ILE A 71 1.165 -4.824 8.981 1.00 0.00 H new ATOM 0 HB ILE A 71 2.304 -6.063 11.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.153 -5.538 12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.321 -4.631 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.099 -3.871 12.548 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.337 -3.869 11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.750 -3.123 10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.328 -6.891 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.189 -6.701 9.594 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.292 -7.623 11.038 1.00 0.00 H new ATOM 1132 N LEU A 72 3.216 -3.596 8.478 1.00 0.00 N ATOM 1133 CA LEU A 72 4.401 -2.915 7.985 1.00 0.00 C ATOM 1134 C LEU A 72 5.555 -3.136 8.965 1.00 0.00 C ATOM 1135 O LEU A 72 6.500 -3.865 8.664 1.00 0.00 O ATOM 1136 CB LEU A 72 4.099 -1.440 7.714 1.00 0.00 C ATOM 1137 CG LEU A 72 2.822 -1.152 6.922 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.695 0.340 6.611 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.756 -2.009 5.657 1.00 0.00 C ATOM 0 H LEU A 72 2.355 -3.054 8.412 1.00 0.00 H new ATOM 0 HA LEU A 72 4.710 -3.334 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.035 -0.921 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.943 -1.010 7.174 1.00 0.00 H new ATOM 0 HG LEU A 72 1.967 -1.426 7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.779 0.518 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.663 0.904 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.552 0.663 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.839 -1.784 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.616 -1.790 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.766 -3.064 5.931 1.00 0.00 H new ATOM 1151 N SER A 73 5.441 -2.494 10.119 1.00 0.00 N ATOM 1152 CA SER A 73 6.464 -2.611 11.145 1.00 0.00 C ATOM 1153 C SER A 73 6.855 -4.078 11.328 1.00 0.00 C ATOM 1154 O SER A 73 8.040 -4.409 11.358 1.00 0.00 O ATOM 1155 CB SER A 73 5.982 -2.020 12.471 1.00 0.00 C ATOM 1156 OG SER A 73 6.418 -2.791 13.588 1.00 0.00 O ATOM 0 H SER A 73 4.656 -1.891 10.366 1.00 0.00 H new ATOM 0 HA SER A 73 7.339 -2.046 10.823 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.351 -0.999 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.893 -1.967 12.470 1.00 0.00 H new ATOM 0 HG SER A 73 6.092 -2.381 14.416 1.00 0.00 H new ATOM 1162 N GLN A 74 5.838 -4.919 11.445 1.00 0.00 N ATOM 1163 CA GLN A 74 6.062 -6.344 11.624 1.00 0.00 C ATOM 1164 C GLN A 74 7.005 -6.873 10.543 1.00 0.00 C ATOM 1165 O GLN A 74 7.891 -7.679 10.827 1.00 0.00 O ATOM 1166 CB GLN A 74 4.738 -7.111 11.621 1.00 0.00 C ATOM 1167 CG GLN A 74 4.057 -7.036 12.989 1.00 0.00 C ATOM 1168 CD GLN A 74 3.134 -8.236 13.208 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.567 -9.368 13.346 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.840 -7.927 13.234 1.00 0.00 N ATOM 0 H GLN A 74 4.857 -4.641 11.419 1.00 0.00 H new ATOM 0 HA GLN A 74 6.532 -6.499 12.595 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.077 -6.699 10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.918 -8.153 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.812 -7.006 13.774 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.483 -6.113 13.063 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.544 -6.958 13.112 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.144 -8.659 13.376 1.00 0.00 H new ATOM 1179 N ARG A 75 6.784 -6.399 9.326 1.00 0.00 N ATOM 1180 CA ARG A 75 7.604 -6.815 8.200 1.00 0.00 C ATOM 1181 C ARG A 75 8.974 -6.136 8.262 1.00 0.00 C ATOM 1182 O ARG A 75 9.975 -6.711 7.839 1.00 0.00 O ATOM 1183 CB ARG A 75 6.931 -6.469 6.871 1.00 0.00 C ATOM 1184 CG ARG A 75 5.844 -7.489 6.525 1.00 0.00 C ATOM 1185 CD ARG A 75 6.415 -8.908 6.489 1.00 0.00 C ATOM 1186 NE ARG A 75 5.712 -9.711 5.463 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.114 -10.920 5.050 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.216 -11.475 5.573 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.414 -11.576 4.115 1.00 0.00 N ATOM 0 H ARG A 75 6.049 -5.731 9.094 1.00 0.00 H new ATOM 0 HA ARG A 75 7.727 -7.896 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.494 -5.472 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.677 -6.444 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.042 -7.435 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.406 -7.245 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.482 -8.874 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.307 -9.377 7.467 1.00 0.00 H new ATOM 0 HE ARG A 75 4.869 -9.319 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.749 -10.977 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.522 -12.396 5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.574 -11.155 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.721 -12.497 3.801 1.00 0.00 H new ATOM 1203 N GLY A 76 8.974 -4.922 8.793 1.00 0.00 N ATOM 1204 CA GLY A 76 10.204 -4.158 8.915 1.00 0.00 C ATOM 1205 C GLY A 76 9.982 -2.695 8.527 1.00 0.00 C ATOM 1206 O GLY A 76 10.644 -1.802 9.054 1.00 0.00 O ATOM 0 H GLY A 76 8.141 -4.448 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.571 -4.214 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.972 -4.595 8.277 1.00 0.00 H new ATOM 1210 N ILE A 77 9.048 -2.495 7.609 1.00 0.00 N ATOM 1211 CA ILE A 77 8.731 -1.155 7.144 1.00 0.00 C ATOM 1212 C ILE A 77 8.673 -0.205 8.342 1.00 0.00 C ATOM 1213 O ILE A 77 7.749 -0.275 9.151 1.00 0.00 O ATOM 1214 CB ILE A 77 7.450 -1.167 6.308 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.703 -1.774 4.926 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.842 0.233 6.215 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.391 -2.194 4.262 1.00 0.00 C ATOM 0 H ILE A 77 8.501 -3.238 7.175 1.00 0.00 H new ATOM 0 HA ILE A 77 9.514 -0.787 6.481 1.00 0.00 H new ATOM 0 HB ILE A 77 6.721 -1.802 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.218 -1.049 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.360 -2.639 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.933 0.196 5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.602 0.593 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.557 0.910 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.600 -2.622 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.890 -2.937 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.746 -1.323 4.148 1.00 0.00 H new ATOM 1229 N LEU A 78 9.673 0.662 8.418 1.00 0.00 N ATOM 1230 CA LEU A 78 9.748 1.625 9.503 1.00 0.00 C ATOM 1231 C LEU A 78 9.585 3.037 8.938 1.00 0.00 C ATOM 1232 O LEU A 78 9.176 3.207 7.791 1.00 0.00 O ATOM 1233 CB LEU A 78 11.035 1.428 10.306 1.00 0.00 C ATOM 1234 CG LEU A 78 10.858 1.154 11.801 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.999 -0.091 12.033 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.213 1.055 12.505 1.00 0.00 C ATOM 0 H LEU A 78 10.438 0.717 7.745 1.00 0.00 H new ATOM 0 HA LEU A 78 8.932 1.468 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.589 0.598 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.652 2.319 10.191 1.00 0.00 H new ATOM 0 HG LEU A 78 10.327 1.998 12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.889 -0.263 13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.016 0.057 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.479 -0.955 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.058 0.860 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.792 0.242 12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.755 1.993 12.384 1.00 0.00 H new ATOM 1248 N ASP A 79 9.914 4.015 9.770 1.00 0.00 N ATOM 1249 CA ASP A 79 9.810 5.407 9.368 1.00 0.00 C ATOM 1250 C ASP A 79 10.965 5.748 8.424 1.00 0.00 C ATOM 1251 O ASP A 79 12.131 5.592 8.783 1.00 0.00 O ATOM 1252 CB ASP A 79 9.898 6.338 10.579 1.00 0.00 C ATOM 1253 CG ASP A 79 10.332 7.771 10.263 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.493 8.507 9.699 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.493 8.097 10.592 1.00 0.00 O ATOM 0 H ASP A 79 10.253 3.870 10.721 1.00 0.00 H new ATOM 0 HA ASP A 79 8.847 5.545 8.876 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.923 6.369 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.600 5.912 11.296 1.00 0.00 H new ATOM 1260 N GLY A 80 10.600 6.209 7.237 1.00 0.00 N ATOM 1261 CA GLY A 80 11.592 6.574 6.239 1.00 0.00 C ATOM 1262 C GLY A 80 12.098 5.339 5.492 1.00 0.00 C ATOM 1263 O GLY A 80 13.304 5.150 5.343 1.00 0.00 O ATOM 0 H GLY A 80 9.632 6.338 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.158 7.279 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.429 7.080 6.721 1.00 0.00 H new ATOM 1267 N SER A 81 11.150 4.530 5.040 1.00 0.00 N ATOM 1268 CA SER A 81 11.485 3.318 4.312 1.00 0.00 C ATOM 1269 C SER A 81 10.998 3.425 2.866 1.00 0.00 C ATOM 1270 O SER A 81 10.165 4.273 2.549 1.00 0.00 O ATOM 1271 CB SER A 81 10.880 2.085 4.986 1.00 0.00 C ATOM 1272 OG SER A 81 11.180 2.036 6.378 1.00 0.00 O ATOM 0 H SER A 81 10.150 4.691 5.164 1.00 0.00 H new ATOM 0 HA SER A 81 12.569 3.205 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.799 2.090 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.258 1.185 4.502 1.00 0.00 H new ATOM 0 HG SER A 81 10.533 2.583 6.871 1.00 0.00 H new ATOM 1278 N THR A 82 11.538 2.554 2.027 1.00 0.00 N ATOM 1279 CA THR A 82 11.169 2.540 0.621 1.00 0.00 C ATOM 1280 C THR A 82 10.432 1.245 0.277 1.00 0.00 C ATOM 1281 O THR A 82 10.874 0.157 0.644 1.00 0.00 O ATOM 1282 CB THR A 82 12.440 2.754 -0.204 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.785 4.115 0.038 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.176 2.698 -1.710 1.00 0.00 C ATOM 0 H THR A 82 12.229 1.852 2.293 1.00 0.00 H new ATOM 0 HA THR A 82 10.473 3.345 0.386 1.00 0.00 H new ATOM 0 HB THR A 82 13.179 1.998 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.600 4.339 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.110 2.856 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.766 1.722 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.463 3.476 -1.984 1.00 0.00 H new ATOM 1292 N VAL A 83 9.319 1.403 -0.426 1.00 0.00 N ATOM 1293 CA VAL A 83 8.516 0.260 -0.825 1.00 0.00 C ATOM 1294 C VAL A 83 8.144 0.394 -2.303 1.00 0.00 C ATOM 1295 O VAL A 83 7.767 1.473 -2.756 1.00 0.00 O ATOM 1296 CB VAL A 83 7.296 0.133 0.090 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.509 -1.142 -0.221 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.708 0.177 1.563 1.00 0.00 C ATOM 0 H VAL A 83 8.955 2.306 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 83 9.085 -0.663 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 83 6.644 0.985 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.647 -1.209 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.169 -1.116 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.150 -2.011 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.822 0.085 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.390 -0.646 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.205 1.124 1.774 1.00 0.00 H new ATOM 1308 N HIS A 84 8.264 -0.718 -3.013 1.00 0.00 N ATOM 1309 CA HIS A 84 7.945 -0.738 -4.430 1.00 0.00 C ATOM 1310 C HIS A 84 6.462 -1.067 -4.618 1.00 0.00 C ATOM 1311 O HIS A 84 5.960 -2.034 -4.048 1.00 0.00 O ATOM 1312 CB HIS A 84 8.866 -1.703 -5.181 1.00 0.00 C ATOM 1313 CG HIS A 84 10.266 -1.177 -5.390 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.571 -0.210 -6.331 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.438 -1.494 -4.769 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.872 0.036 -6.272 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.407 -0.761 -5.303 1.00 0.00 N ATOM 0 H HIS A 84 8.578 -1.611 -2.633 1.00 0.00 H new ATOM 0 HA HIS A 84 8.120 0.248 -4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.920 -2.641 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.425 -1.929 -6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.557 -2.219 -3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.413 0.743 -6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.390 -0.789 -5.033 1.00 0.00 H new ATOM 1325 N VAL A 85 5.803 -0.243 -5.420 1.00 0.00 N ATOM 1326 CA VAL A 85 4.389 -0.435 -5.690 1.00 0.00 C ATOM 1327 C VAL A 85 4.221 -1.119 -7.048 1.00 0.00 C ATOM 1328 O VAL A 85 5.055 -0.954 -7.937 1.00 0.00 O ATOM 1329 CB VAL A 85 3.653 0.904 -5.600 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.967 1.785 -6.812 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.145 0.693 -5.452 1.00 0.00 C ATOM 0 H VAL A 85 6.222 0.559 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 85 3.942 -1.088 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 85 4.008 1.421 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.432 2.730 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.039 1.978 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.654 1.275 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.647 1.660 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.768 0.145 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.945 0.123 -4.545 1.00 0.00 H new ATOM 1341 N VAL A 86 3.137 -1.872 -7.166 1.00 0.00 N ATOM 1342 CA VAL A 86 2.849 -2.582 -8.401 1.00 0.00 C ATOM 1343 C VAL A 86 1.360 -2.451 -8.724 1.00 0.00 C ATOM 1344 O VAL A 86 0.550 -2.185 -7.837 1.00 0.00 O ATOM 1345 CB VAL A 86 3.311 -4.036 -8.288 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.593 -4.920 -9.309 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.830 -4.142 -8.442 1.00 0.00 C ATOM 0 H VAL A 86 2.447 -2.006 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 86 3.401 -2.143 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 86 3.050 -4.395 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.940 -5.948 -9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.518 -4.880 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.809 -4.562 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.132 -5.186 -8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.125 -3.757 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.317 -3.559 -7.660 1.00 0.00 H new ATOM 1357 N VAL A 87 1.044 -2.643 -9.996 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.334 -2.550 -10.447 1.00 0.00 C ATOM 1359 C VAL A 87 -0.549 -3.512 -11.617 1.00 0.00 C ATOM 1360 O VAL A 87 -0.982 -3.100 -12.693 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.674 -1.099 -10.795 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.144 -0.617 -11.994 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.173 -0.934 -11.052 1.00 0.00 C ATOM 0 H VAL A 87 1.719 -2.863 -10.729 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.017 -2.848 -9.652 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.411 -0.478 -9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.117 0.417 -12.220 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.206 -0.680 -11.759 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.074 -1.244 -12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.388 0.106 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.472 -1.572 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.729 -1.218 -10.159 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.238 -4.775 -11.369 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.391 -5.799 -12.388 1.00 0.00 C ATOM 1375 C ARG A 88 -1.751 -5.662 -13.077 1.00 0.00 C ATOM 1376 O ARG A 88 -2.792 -5.766 -12.429 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.271 -7.200 -11.785 1.00 0.00 C ATOM 1378 CG ARG A 88 -1.206 -7.362 -10.585 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.767 -8.532 -9.702 1.00 0.00 C ATOM 1380 NE ARG A 88 -1.465 -9.769 -10.117 1.00 0.00 N ATOM 1381 CZ ARG A 88 -1.047 -10.573 -11.104 1.00 0.00 C ATOM 1382 NH1 ARG A 88 0.069 -10.275 -11.784 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -1.744 -11.675 -11.412 1.00 0.00 N ATOM 0 H ARG A 88 0.120 -5.113 -10.476 1.00 0.00 H new ATOM 0 HA ARG A 88 0.406 -5.662 -13.118 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.511 -7.947 -12.541 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.759 -7.380 -11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.214 -6.443 -9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.226 -7.527 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.312 -8.670 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.988 -8.313 -8.657 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.318 -10.026 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.600 -9.436 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.387 -10.887 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.593 -11.902 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.425 -12.287 -12.163 1.00 0.00 H new