USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 502 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 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.856 K(o=-0.86,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 145 MET CE :methyl 150:sc= -0.0458 (180deg=-0.862) USER MOD Single : A 158 SER OG : rot 180:sc=-0.00305 USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.456 -2.176 -15.467 1.00 0.00 N ATOM 200 CA ILE A 106 -4.407 -2.437 -14.417 1.00 0.00 C ATOM 201 C ILE A 106 -2.936 -2.251 -14.936 1.00 0.00 C ATOM 202 O ILE A 106 -2.148 -1.578 -14.261 1.00 0.00 O ATOM 203 CB ILE A 106 -4.565 -3.804 -13.644 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.536 -5.078 -14.541 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.788 -3.802 -12.692 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.581 -6.443 -13.836 1.00 0.00 C ATOM 0 HA ILE A 106 -4.598 -1.653 -13.684 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.662 -3.871 -13.037 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.381 -5.026 -15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.631 -5.042 -15.147 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.854 -4.764 -12.183 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.673 -3.008 -11.954 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.698 -3.633 -13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.554 -7.238 -14.581 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.721 -6.538 -13.173 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.499 -6.522 -13.254 1.00 0.00 H new ATOM 218 N LEU A 107 -2.577 -2.799 -16.120 1.00 0.00 N ATOM 219 CA LEU A 107 -1.244 -2.583 -16.761 1.00 0.00 C ATOM 220 C LEU A 107 -0.967 -1.101 -17.176 1.00 0.00 C ATOM 221 O LEU A 107 0.140 -0.614 -16.939 1.00 0.00 O ATOM 222 CB LEU A 107 -1.104 -3.611 -17.926 1.00 0.00 C ATOM 223 CG LEU A 107 0.298 -3.934 -18.520 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.899 -2.814 -19.388 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.319 -4.441 -17.481 1.00 0.00 C ATOM 0 H LEU A 107 -3.195 -3.402 -16.662 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.458 -2.764 -16.028 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.533 -4.551 -17.581 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.729 -3.257 -18.746 1.00 0.00 H new ATOM 0 HG LEU A 107 0.090 -4.765 -19.194 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.875 -3.126 -19.759 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.238 -2.612 -20.231 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.010 -1.910 -18.790 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.270 -4.643 -17.974 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.463 -3.682 -16.712 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.946 -5.357 -17.022 1.00 0.00 H new ATOM 237 N LYS A 108 -1.964 -0.386 -17.739 1.00 0.00 N ATOM 238 CA LYS A 108 -1.908 1.086 -17.968 1.00 0.00 C ATOM 239 C LYS A 108 -1.674 1.968 -16.703 1.00 0.00 C ATOM 240 O LYS A 108 -0.921 2.940 -16.795 1.00 0.00 O ATOM 241 CB LYS A 108 -3.234 1.441 -18.686 1.00 0.00 C ATOM 242 CG LYS A 108 -3.412 2.898 -19.181 1.00 0.00 C ATOM 243 CD LYS A 108 -4.870 3.292 -19.513 1.00 0.00 C ATOM 244 CE LYS A 108 -5.782 3.511 -18.287 1.00 0.00 C ATOM 245 NZ LYS A 108 -7.145 3.898 -18.690 1.00 0.00 N ATOM 0 H LYS A 108 -2.838 -0.810 -18.051 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.024 1.315 -18.564 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.339 0.779 -19.545 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.056 1.214 -18.007 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.031 3.576 -18.417 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.799 3.043 -20.070 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.857 4.207 -20.106 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.308 2.513 -20.138 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.822 2.597 -17.694 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.356 4.286 -17.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.731 4.037 -17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.108 4.783 -19.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.560 3.147 -19.278 1.00 0.00 H new ATOM 259 N ALA A 109 -2.291 1.641 -15.549 1.00 0.00 N ATOM 260 CA ALA A 109 -2.013 2.315 -14.251 1.00 0.00 C ATOM 261 C ALA A 109 -0.578 2.047 -13.662 1.00 0.00 C ATOM 262 O ALA A 109 0.062 2.973 -13.144 1.00 0.00 O ATOM 263 CB ALA A 109 -3.189 1.971 -13.332 1.00 0.00 C ATOM 0 H ALA A 109 -2.995 0.906 -15.484 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.958 3.396 -14.381 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.040 2.440 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.115 2.338 -13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.249 0.890 -13.208 1.00 0.00 H new ATOM 269 N PHE A 110 -0.035 0.806 -13.762 1.00 0.00 N ATOM 270 CA PHE A 110 1.423 0.536 -13.528 1.00 0.00 C ATOM 271 C PHE A 110 2.315 1.391 -14.520 1.00 0.00 C ATOM 272 O PHE A 110 3.372 1.870 -14.105 1.00 0.00 O ATOM 273 CB PHE A 110 1.647 -1.003 -13.578 1.00 0.00 C ATOM 274 CG PHE A 110 3.108 -1.493 -13.452 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.953 -1.455 -14.565 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.645 -1.819 -12.206 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.332 -1.597 -14.411 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.031 -1.916 -12.044 1.00 0.00 C ATOM 279 CZ PHE A 110 5.873 -1.819 -13.150 1.00 0.00 C ATOM 0 H PHE A 110 -0.575 -0.025 -14.002 1.00 0.00 H new ATOM 0 HA PHE A 110 1.744 0.863 -12.539 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.064 -1.459 -12.777 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.242 -1.376 -14.519 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.535 -1.315 -15.551 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.990 -1.997 -11.366 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.980 -1.534 -15.273 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.449 -2.066 -11.060 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.942 -1.916 -13.028 1.00 0.00 H new ATOM 289 N LYS A 111 1.888 1.595 -15.795 1.00 0.00 N ATOM 290 CA LYS A 111 2.470 2.609 -16.716 1.00 0.00 C ATOM 291 C LYS A 111 2.337 4.084 -16.223 1.00 0.00 C ATOM 292 O LYS A 111 3.224 4.881 -16.539 1.00 0.00 O ATOM 293 CB LYS A 111 1.785 2.510 -18.079 1.00 0.00 C ATOM 294 CG LYS A 111 2.355 1.350 -18.908 1.00 0.00 C ATOM 295 CD LYS A 111 1.691 1.219 -20.293 1.00 0.00 C ATOM 296 CE LYS A 111 2.385 0.184 -21.198 1.00 0.00 C ATOM 297 NZ LYS A 111 1.674 0.022 -22.478 1.00 0.00 N ATOM 0 H LYS A 111 1.128 1.059 -16.214 1.00 0.00 H new ATOM 0 HA LYS A 111 3.535 2.380 -16.766 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.713 2.368 -17.940 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.915 3.446 -18.622 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.428 1.495 -19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.223 0.418 -18.358 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.646 0.937 -20.164 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.701 2.190 -20.788 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.412 0.496 -21.388 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.434 -0.776 -20.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.168 -0.682 -23.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.702 -0.299 -22.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.650 0.933 -22.979 1.00 0.00 H new ATOM 311 N LEU A 112 1.274 4.458 -15.455 1.00 0.00 N ATOM 312 CA LEU A 112 1.226 5.752 -14.703 1.00 0.00 C ATOM 313 C LEU A 112 2.419 5.850 -13.701 1.00 0.00 C ATOM 314 O LEU A 112 3.009 6.935 -13.639 1.00 0.00 O ATOM 315 CB LEU A 112 -0.118 6.090 -13.991 1.00 0.00 C ATOM 316 CG LEU A 112 -1.389 6.183 -14.878 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.639 6.326 -13.988 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.342 7.335 -15.904 1.00 0.00 C ATOM 0 H LEU A 112 0.439 3.884 -15.339 1.00 0.00 H new ATOM 0 HA LEU A 112 1.312 6.512 -15.479 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.295 5.333 -13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.004 7.042 -13.475 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.434 5.258 -15.453 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.527 6.391 -14.616 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.720 5.459 -13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.555 7.230 -13.385 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.262 7.339 -16.488 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.241 8.285 -15.380 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.490 7.195 -16.569 1.00 0.00 H new ATOM 330 N PHE A 113 2.829 4.764 -12.978 1.00 0.00 N ATOM 331 CA PHE A 113 4.144 4.777 -12.264 1.00 0.00 C ATOM 332 C PHE A 113 5.344 5.035 -13.259 1.00 0.00 C ATOM 333 O PHE A 113 6.146 5.941 -13.025 1.00 0.00 O ATOM 334 CB PHE A 113 4.565 3.519 -11.437 1.00 0.00 C ATOM 335 CG PHE A 113 3.711 2.645 -10.488 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.478 3.062 -9.167 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.764 1.266 -10.757 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.354 2.112 -8.146 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.695 0.338 -9.723 1.00 0.00 C ATOM 340 CZ PHE A 113 3.442 0.760 -8.440 1.00 0.00 C ATOM 0 H PHE A 113 2.293 3.902 -12.876 1.00 0.00 H new ATOM 0 HA PHE A 113 3.959 5.580 -11.550 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.964 2.822 -12.174 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.404 3.854 -10.827 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.395 4.114 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.859 0.924 -11.777 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.190 2.433 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.840 -0.712 -9.928 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.310 0.032 -7.653 1.00 0.00 H new ATOM 350 N ASP A 114 5.456 4.236 -14.345 1.00 0.00 N ATOM 351 CA ASP A 114 6.643 4.194 -15.237 1.00 0.00 C ATOM 352 C ASP A 114 6.635 5.337 -16.302 1.00 0.00 C ATOM 353 O ASP A 114 6.179 5.172 -17.438 1.00 0.00 O ATOM 354 CB ASP A 114 6.648 2.751 -15.805 1.00 0.00 C ATOM 355 CG ASP A 114 7.873 2.316 -16.609 1.00 0.00 C ATOM 356 OD1 ASP A 114 9.010 2.741 -16.304 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.690 1.514 -17.551 1.00 0.00 O ATOM 0 H ASP A 114 4.717 3.594 -14.632 1.00 0.00 H new ATOM 0 HA ASP A 114 7.579 4.393 -14.714 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.530 2.060 -14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.770 2.636 -16.440 1.00 0.00 H new ATOM 422 N LYS A 120 10.458 -0.708 -14.337 1.00 0.00 N ATOM 423 CA LYS A 120 10.715 -0.942 -12.887 1.00 0.00 C ATOM 424 C LYS A 120 10.797 0.414 -12.146 1.00 0.00 C ATOM 425 O LYS A 120 11.547 1.289 -12.595 1.00 0.00 O ATOM 426 CB LYS A 120 12.093 -1.601 -12.694 1.00 0.00 C ATOM 427 CG LYS A 120 12.303 -2.985 -13.346 1.00 0.00 C ATOM 428 CD LYS A 120 11.758 -4.185 -12.544 1.00 0.00 C ATOM 429 CE LYS A 120 12.025 -5.562 -13.188 1.00 0.00 C ATOM 430 NZ LYS A 120 13.441 -5.975 -13.124 1.00 0.00 N ATOM 0 HA LYS A 120 9.910 -1.570 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.851 -0.923 -13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.275 -1.699 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.829 -2.981 -14.328 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.371 -3.133 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.202 -4.172 -11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.683 -4.061 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.412 -6.313 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.709 -5.534 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.552 -6.906 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.029 -5.278 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.741 -6.032 -12.130 1.00 0.00 H new ATOM 444 N ILE A 121 10.075 0.594 -11.012 1.00 0.00 N ATOM 445 CA ILE A 121 9.907 1.954 -10.384 1.00 0.00 C ATOM 446 C ILE A 121 10.394 2.128 -8.904 1.00 0.00 C ATOM 447 O ILE A 121 10.715 1.172 -8.195 1.00 0.00 O ATOM 448 CB ILE A 121 8.434 2.468 -10.604 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.253 1.612 -10.079 1.00 0.00 C ATOM 450 CG2 ILE A 121 8.226 2.827 -12.097 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.015 1.639 -8.577 1.00 0.00 C ATOM 0 H ILE A 121 9.604 -0.160 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 121 10.611 2.593 -10.917 1.00 0.00 H new ATOM 0 HB ILE A 121 8.382 3.339 -9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.342 1.945 -10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.420 0.578 -10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.207 3.182 -12.247 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.929 3.609 -12.385 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.396 1.943 -12.711 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.164 1.003 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.902 1.272 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.808 2.661 -8.260 1.00 0.00 H new ATOM 463 N SER A 122 10.452 3.416 -8.485 1.00 0.00 N ATOM 464 CA SER A 122 10.957 3.872 -7.162 1.00 0.00 C ATOM 465 C SER A 122 9.839 4.546 -6.288 1.00 0.00 C ATOM 466 O SER A 122 8.717 4.784 -6.745 1.00 0.00 O ATOM 467 CB SER A 122 12.172 4.791 -7.454 1.00 0.00 C ATOM 468 OG SER A 122 12.884 5.119 -6.266 1.00 0.00 O ATOM 0 H SER A 122 10.141 4.189 -9.073 1.00 0.00 H new ATOM 0 HA SER A 122 11.273 3.029 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.843 4.294 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.828 5.706 -7.936 1.00 0.00 H new ATOM 0 HG SER A 122 13.643 5.697 -6.489 1.00 0.00 H new ATOM 474 N PHE A 123 10.191 4.858 -5.019 1.00 0.00 N ATOM 475 CA PHE A 123 9.341 5.569 -4.001 1.00 0.00 C ATOM 476 C PHE A 123 8.422 6.742 -4.495 1.00 0.00 C ATOM 477 O PHE A 123 7.236 6.831 -4.137 1.00 0.00 O ATOM 478 CB PHE A 123 10.315 5.991 -2.843 1.00 0.00 C ATOM 479 CG PHE A 123 9.728 6.741 -1.629 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.437 8.111 -1.714 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.475 6.064 -0.433 1.00 0.00 C ATOM 482 CE1 PHE A 123 8.819 8.769 -0.654 1.00 0.00 C ATOM 483 CE2 PHE A 123 8.899 6.738 0.639 1.00 0.00 C ATOM 484 CZ PHE A 123 8.537 8.074 0.519 1.00 0.00 C ATOM 0 H PHE A 123 11.110 4.617 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 123 8.570 4.871 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.801 5.089 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.094 6.618 -3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.694 8.659 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.727 5.018 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.560 9.814 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.732 6.219 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.037 8.573 1.336 1.00 0.00 H new ATOM 494 N LYS A 124 9.026 7.670 -5.256 1.00 0.00 N ATOM 495 CA LYS A 124 8.318 8.875 -5.763 1.00 0.00 C ATOM 496 C LYS A 124 7.232 8.587 -6.818 1.00 0.00 C ATOM 497 O LYS A 124 6.194 9.247 -6.772 1.00 0.00 O ATOM 498 CB LYS A 124 9.239 9.959 -6.353 1.00 0.00 C ATOM 499 CG LYS A 124 10.105 10.626 -5.273 1.00 0.00 C ATOM 500 CD LYS A 124 10.996 11.783 -5.777 1.00 0.00 C ATOM 501 CE LYS A 124 10.283 13.038 -6.322 1.00 0.00 C ATOM 502 NZ LYS A 124 9.563 13.801 -5.283 1.00 0.00 N ATOM 0 H LYS A 124 10.005 7.615 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 124 7.853 9.244 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.883 9.514 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.635 10.716 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.452 11.005 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.742 9.867 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.644 12.092 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.642 11.393 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.019 13.688 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.577 12.738 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.107 14.630 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.839 13.195 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.235 14.116 -4.555 1.00 0.00 H new ATOM 516 N ASN A 125 7.427 7.615 -7.732 1.00 0.00 N ATOM 517 CA ASN A 125 6.347 7.215 -8.695 1.00 0.00 C ATOM 518 C ASN A 125 5.026 6.738 -7.985 1.00 0.00 C ATOM 519 O ASN A 125 3.953 7.266 -8.336 1.00 0.00 O ATOM 520 CB ASN A 125 6.850 6.216 -9.776 1.00 0.00 C ATOM 521 CG ASN A 125 8.024 6.729 -10.645 1.00 0.00 C ATOM 522 OD1 ASN A 125 7.885 7.689 -11.403 1.00 0.00 O ATOM 523 ND2 ASN A 125 9.193 6.115 -10.556 1.00 0.00 N ATOM 0 H ASN A 125 8.298 7.094 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 125 6.074 8.126 -9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.159 5.295 -9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.016 5.963 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.982 6.437 -11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 125 9.305 5.320 -9.927 1.00 0.00 H new ATOM 530 N LEU A 126 5.152 5.855 -6.938 1.00 0.00 N ATOM 531 CA LEU A 126 4.057 5.481 -5.983 1.00 0.00 C ATOM 532 C LEU A 126 3.325 6.766 -5.485 1.00 0.00 C ATOM 533 O LEU A 126 2.196 7.022 -5.914 1.00 0.00 O ATOM 534 CB LEU A 126 4.541 4.695 -4.703 1.00 0.00 C ATOM 535 CG LEU A 126 5.069 3.240 -4.714 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.445 3.094 -5.374 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.167 2.715 -3.261 1.00 0.00 C ATOM 0 H LEU A 126 6.031 5.379 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 126 3.404 4.819 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.332 5.300 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.702 4.706 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 126 4.359 2.661 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.753 2.049 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.389 3.428 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.173 3.701 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.539 1.690 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.851 3.345 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.181 2.740 -2.798 1.00 0.00 H new ATOM 549 N LYS A 127 4.032 7.605 -4.690 1.00 0.00 N ATOM 550 CA LYS A 127 3.505 8.900 -4.218 1.00 0.00 C ATOM 551 C LYS A 127 3.096 9.978 -5.258 1.00 0.00 C ATOM 552 O LYS A 127 2.464 10.959 -4.868 1.00 0.00 O ATOM 553 CB LYS A 127 4.674 9.502 -3.442 1.00 0.00 C ATOM 554 CG LYS A 127 4.211 10.577 -2.430 1.00 0.00 C ATOM 555 CD LYS A 127 5.383 11.178 -1.619 1.00 0.00 C ATOM 556 CE LYS A 127 4.991 12.248 -0.578 1.00 0.00 C ATOM 557 NZ LYS A 127 4.249 11.700 0.575 1.00 0.00 N ATOM 0 H LYS A 127 4.976 7.402 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 127 2.575 8.672 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.202 8.710 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.383 9.945 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.697 11.376 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.488 10.136 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 127 5.899 10.367 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.096 11.618 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.894 12.742 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.382 13.011 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.016 12.469 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.371 11.252 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 4.836 10.992 1.061 1.00 0.00 H new ATOM 571 N ARG A 128 3.528 9.884 -6.524 1.00 0.00 N ATOM 572 CA ARG A 128 3.429 10.995 -7.501 1.00 0.00 C ATOM 573 C ARG A 128 2.097 10.971 -8.211 1.00 0.00 C ATOM 574 O ARG A 128 1.278 11.881 -8.052 1.00 0.00 O ATOM 575 CB ARG A 128 4.535 10.853 -8.551 1.00 0.00 C ATOM 576 CG ARG A 128 5.791 11.673 -8.207 1.00 0.00 C ATOM 577 CD ARG A 128 5.712 13.149 -8.653 1.00 0.00 C ATOM 578 NE ARG A 128 6.953 13.896 -8.320 1.00 0.00 N ATOM 579 CZ ARG A 128 7.168 15.191 -8.622 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.288 15.963 -9.259 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.320 15.728 -8.267 1.00 0.00 N ATOM 0 H ARG A 128 3.956 9.040 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 128 3.531 11.934 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.807 9.802 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.153 11.172 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.954 11.637 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.658 11.207 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.538 13.195 -9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.860 13.628 -8.172 1.00 0.00 H new ATOM 0 HE ARG A 128 7.693 13.394 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.388 15.579 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.514 16.938 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.016 15.165 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.514 16.706 -8.481 1.00 0.00 H new ATOM 595 N VAL A 129 1.885 9.883 -8.959 1.00 0.00 N ATOM 596 CA VAL A 129 0.549 9.596 -9.528 1.00 0.00 C ATOM 597 C VAL A 129 -0.514 9.214 -8.455 1.00 0.00 C ATOM 598 O VAL A 129 -1.657 9.661 -8.602 1.00 0.00 O ATOM 599 CB VAL A 129 0.729 8.595 -10.690 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.217 9.362 -11.921 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.672 7.395 -10.460 1.00 0.00 C ATOM 0 H VAL A 129 2.602 9.194 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 129 0.112 10.504 -9.944 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.256 8.144 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.350 8.669 -12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.482 10.119 -12.193 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.168 9.845 -11.696 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.701 6.778 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.675 7.758 -10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.306 6.800 -9.623 1.00 0.00 H new ATOM 611 N ALA A 130 -0.181 8.426 -7.396 1.00 0.00 N ATOM 612 CA ALA A 130 -1.125 8.271 -6.238 1.00 0.00 C ATOM 613 C ALA A 130 -1.316 9.590 -5.416 1.00 0.00 C ATOM 614 O ALA A 130 -2.384 9.819 -4.844 1.00 0.00 O ATOM 615 CB ALA A 130 -0.730 7.123 -5.291 1.00 0.00 C ATOM 0 H ALA A 130 0.693 7.906 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.080 8.021 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.449 7.061 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.724 6.182 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.264 7.312 -4.885 1.00 0.00 H new ATOM 621 N LYS A 131 -0.278 10.451 -5.418 1.00 0.00 N ATOM 622 CA LYS A 131 -0.362 11.844 -4.888 1.00 0.00 C ATOM 623 C LYS A 131 -1.280 12.844 -5.649 1.00 0.00 C ATOM 624 O LYS A 131 -1.814 13.751 -5.005 1.00 0.00 O ATOM 625 CB LYS A 131 1.056 12.423 -4.821 1.00 0.00 C ATOM 626 CG LYS A 131 1.118 13.596 -3.827 1.00 0.00 C ATOM 627 CD LYS A 131 2.504 14.271 -3.731 1.00 0.00 C ATOM 628 CE LYS A 131 2.584 15.339 -2.620 1.00 0.00 C ATOM 629 NZ LYS A 131 3.922 15.953 -2.554 1.00 0.00 N ATOM 0 H LYS A 131 0.643 10.210 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.838 11.738 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.758 11.646 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.363 12.762 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.381 14.344 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.832 13.236 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.261 13.508 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.743 14.734 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.837 16.112 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.344 14.884 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.940 16.666 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.631 15.219 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.140 16.408 -3.463 1.00 0.00 H new ATOM 643 N GLU A 132 -1.477 12.685 -6.979 1.00 0.00 N ATOM 644 CA GLU A 132 -2.519 13.431 -7.765 1.00 0.00 C ATOM 645 C GLU A 132 -3.948 13.377 -7.129 1.00 0.00 C ATOM 646 O GLU A 132 -4.589 14.419 -6.973 1.00 0.00 O ATOM 647 CB GLU A 132 -2.617 12.977 -9.246 1.00 0.00 C ATOM 648 CG GLU A 132 -1.366 13.218 -10.132 1.00 0.00 C ATOM 649 CD GLU A 132 -1.692 13.635 -11.571 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.864 12.746 -12.436 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.778 14.853 -11.842 1.00 0.00 O ATOM 0 H GLU A 132 -0.926 12.041 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.165 14.461 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.845 11.911 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.463 13.490 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.751 13.991 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.769 12.306 -10.155 1.00 0.00 H new ATOM 658 N LEU A 133 -4.406 12.169 -6.737 1.00 0.00 N ATOM 659 CA LEU A 133 -5.609 11.979 -5.870 1.00 0.00 C ATOM 660 C LEU A 133 -5.460 12.657 -4.468 1.00 0.00 C ATOM 661 O LEU A 133 -6.326 13.438 -4.063 1.00 0.00 O ATOM 662 CB LEU A 133 -5.908 10.444 -5.795 1.00 0.00 C ATOM 663 CG LEU A 133 -6.813 9.905 -4.647 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.249 10.457 -4.643 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.828 8.370 -4.640 1.00 0.00 C ATOM 0 H LEU A 133 -3.959 11.293 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.467 12.487 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.366 10.152 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.951 9.925 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.357 10.276 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.802 10.025 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.222 11.542 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.742 10.196 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.466 8.016 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.214 8.006 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.814 7.997 -4.493 1.00 0.00 H new ATOM 773 N GLU A 141 4.890 4.995 6.414 1.00 0.00 N ATOM 774 CA GLU A 141 4.186 3.847 5.758 1.00 0.00 C ATOM 775 C GLU A 141 4.682 3.558 4.308 1.00 0.00 C ATOM 776 O GLU A 141 4.976 2.409 3.982 1.00 0.00 O ATOM 777 CB GLU A 141 2.660 4.100 5.703 1.00 0.00 C ATOM 778 CG GLU A 141 1.936 4.032 7.066 1.00 0.00 C ATOM 779 CD GLU A 141 0.441 4.358 6.965 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.084 5.557 6.934 1.00 0.00 O ATOM 781 OE2 GLU A 141 -0.383 3.417 6.919 1.00 0.00 O ATOM 0 HA GLU A 141 4.417 2.978 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.486 5.083 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.210 3.368 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.057 3.034 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.409 4.729 7.758 1.00 0.00 H new ATOM 788 N LEU A 142 4.795 4.613 3.482 1.00 0.00 N ATOM 789 CA LEU A 142 5.455 4.608 2.142 1.00 0.00 C ATOM 790 C LEU A 142 6.912 4.004 2.092 1.00 0.00 C ATOM 791 O LEU A 142 7.224 3.216 1.188 1.00 0.00 O ATOM 792 CB LEU A 142 5.354 6.091 1.626 1.00 0.00 C ATOM 793 CG LEU A 142 4.774 6.319 0.208 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.331 7.777 -0.030 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.738 5.926 -0.912 1.00 0.00 C ATOM 0 H LEU A 142 4.420 5.529 3.727 1.00 0.00 H new ATOM 0 HA LEU A 142 4.940 3.913 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.743 6.652 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.353 6.525 1.654 1.00 0.00 H new ATOM 0 HG LEU A 142 3.904 5.663 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.933 7.876 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.560 8.045 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.187 8.441 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.268 6.111 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.650 6.518 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 142 5.984 4.868 -0.825 1.00 0.00 H new ATOM 807 N GLN A 143 7.777 4.319 3.087 1.00 0.00 N ATOM 808 CA GLN A 143 9.103 3.652 3.277 1.00 0.00 C ATOM 809 C GLN A 143 9.000 2.141 3.645 1.00 0.00 C ATOM 810 O GLN A 143 9.748 1.335 3.086 1.00 0.00 O ATOM 811 CB GLN A 143 9.982 4.398 4.327 1.00 0.00 C ATOM 812 CG GLN A 143 10.661 5.716 3.884 1.00 0.00 C ATOM 813 CD GLN A 143 11.728 5.603 2.770 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.202 4.527 2.403 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.140 6.734 2.219 1.00 0.00 N ATOM 0 H GLN A 143 7.582 5.040 3.782 1.00 0.00 H new ATOM 0 HA GLN A 143 9.587 3.709 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.358 4.616 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.762 3.713 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.885 6.402 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.128 6.170 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.746 7.624 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.852 6.716 1.489 1.00 0.00 H new ATOM 824 N GLU A 144 8.079 1.752 4.551 1.00 0.00 N ATOM 825 CA GLU A 144 7.723 0.345 4.821 1.00 0.00 C ATOM 826 C GLU A 144 7.182 -0.474 3.609 1.00 0.00 C ATOM 827 O GLU A 144 7.481 -1.670 3.521 1.00 0.00 O ATOM 828 CB GLU A 144 6.707 0.507 5.972 1.00 0.00 C ATOM 829 CG GLU A 144 6.148 -0.749 6.630 1.00 0.00 C ATOM 830 CD GLU A 144 7.160 -1.622 7.379 1.00 0.00 C ATOM 831 OE1 GLU A 144 7.410 -1.370 8.579 1.00 0.00 O ATOM 832 OE2 GLU A 144 7.711 -2.565 6.769 1.00 0.00 O ATOM 0 H GLU A 144 7.556 2.415 5.122 1.00 0.00 H new ATOM 0 HA GLU A 144 8.594 -0.263 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.180 1.106 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 144 5.865 1.085 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 144 5.367 -0.452 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 144 5.672 -1.357 5.861 1.00 0.00 H new ATOM 839 N MET A 145 6.440 0.160 2.672 1.00 0.00 N ATOM 840 CA MET A 145 6.076 -0.452 1.371 1.00 0.00 C ATOM 841 C MET A 145 7.329 -0.790 0.524 1.00 0.00 C ATOM 842 O MET A 145 7.523 -1.955 0.175 1.00 0.00 O ATOM 843 CB MET A 145 5.145 0.489 0.557 1.00 0.00 C ATOM 844 CG MET A 145 3.768 0.750 1.150 1.00 0.00 C ATOM 845 SD MET A 145 2.877 1.833 0.014 1.00 0.00 S ATOM 846 CE MET A 145 2.157 3.068 1.115 1.00 0.00 C ATOM 0 H MET A 145 6.078 1.106 2.794 1.00 0.00 H new ATOM 0 HA MET A 145 5.549 -1.379 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.651 1.446 0.431 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.014 0.064 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.228 -0.186 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.856 1.215 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.063 4.016 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.172 2.735 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.801 3.200 1.984 1.00 0.00 H new ATOM 856 N ILE A 146 8.182 0.207 0.226 1.00 0.00 N ATOM 857 CA ILE A 146 9.336 0.016 -0.704 1.00 0.00 C ATOM 858 C ILE A 146 10.443 -0.966 -0.180 1.00 0.00 C ATOM 859 O ILE A 146 10.993 -1.737 -0.972 1.00 0.00 O ATOM 860 CB ILE A 146 9.835 1.427 -1.195 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.403 1.395 -2.657 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.862 2.111 -0.260 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.356 1.122 -3.744 1.00 0.00 C ATOM 0 H ILE A 146 8.105 1.150 0.607 1.00 0.00 H new ATOM 0 HA ILE A 146 8.995 -0.528 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 146 8.929 2.033 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.884 2.350 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.176 0.629 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.148 3.076 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.416 2.259 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.746 1.480 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.839 1.118 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.890 0.153 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.594 1.901 -3.719 1.00 0.00 H new ATOM 875 N ASP A 147 10.715 -0.963 1.142 1.00 0.00 N ATOM 876 CA ASP A 147 11.534 -2.014 1.814 1.00 0.00 C ATOM 877 C ASP A 147 10.845 -3.424 1.807 1.00 0.00 C ATOM 878 O ASP A 147 11.550 -4.419 1.628 1.00 0.00 O ATOM 879 CB ASP A 147 11.929 -1.588 3.252 1.00 0.00 C ATOM 880 CG ASP A 147 12.914 -0.410 3.341 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.111 -0.600 3.028 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.499 0.704 3.728 1.00 0.00 O ATOM 0 H ASP A 147 10.379 -0.239 1.777 1.00 0.00 H new ATOM 0 HA ASP A 147 12.446 -2.114 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.023 -1.324 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.368 -2.447 3.760 1.00 0.00 H new ATOM 887 N GLU A 148 9.500 -3.523 1.953 1.00 0.00 N ATOM 888 CA GLU A 148 8.720 -4.768 1.729 1.00 0.00 C ATOM 889 C GLU A 148 8.901 -5.434 0.324 1.00 0.00 C ATOM 890 O GLU A 148 9.185 -6.633 0.260 1.00 0.00 O ATOM 891 CB GLU A 148 7.248 -4.350 1.983 1.00 0.00 C ATOM 892 CG GLU A 148 6.260 -5.471 2.345 1.00 0.00 C ATOM 893 CD GLU A 148 5.813 -6.377 1.189 1.00 0.00 C ATOM 894 OE1 GLU A 148 5.007 -5.931 0.343 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.267 -7.540 1.125 1.00 0.00 O ATOM 0 H GLU A 148 8.919 -2.732 2.233 1.00 0.00 H new ATOM 0 HA GLU A 148 9.074 -5.551 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.238 -3.616 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.879 -3.848 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.716 -6.095 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.373 -5.017 2.788 1.00 0.00 H new ATOM 902 N ALA A 149 8.731 -4.663 -0.773 1.00 0.00 N ATOM 903 CA ALA A 149 8.864 -5.163 -2.165 1.00 0.00 C ATOM 904 C ALA A 149 10.257 -5.723 -2.560 1.00 0.00 C ATOM 905 O ALA A 149 10.314 -6.811 -3.141 1.00 0.00 O ATOM 906 CB ALA A 149 8.456 -4.038 -3.133 1.00 0.00 C ATOM 0 H ALA A 149 8.497 -3.672 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 149 8.201 -6.026 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.549 -4.391 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.423 -3.749 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 149 9.107 -3.177 -2.985 1.00 0.00 H new ATOM 1001 N VAL A 157 10.874 -1.905 -8.165 1.00 0.00 N ATOM 1002 CA VAL A 157 9.574 -2.632 -8.209 1.00 0.00 C ATOM 1003 C VAL A 157 9.255 -3.146 -9.639 1.00 0.00 C ATOM 1004 O VAL A 157 9.694 -2.581 -10.645 1.00 0.00 O ATOM 1005 CB VAL A 157 8.509 -1.630 -7.641 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.024 -1.898 -7.970 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.647 -1.459 -6.111 1.00 0.00 C ATOM 0 HA VAL A 157 9.588 -3.539 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 157 8.761 -0.717 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.405 -1.126 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.882 -1.883 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.735 -2.874 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.893 -0.758 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.506 -2.423 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.640 -1.075 -5.876 1.00 0.00 H new ATOM 1017 N SER A 158 8.453 -4.223 -9.673 1.00 0.00 N ATOM 1018 CA SER A 158 8.018 -4.910 -10.913 1.00 0.00 C ATOM 1019 C SER A 158 6.471 -4.819 -11.089 1.00 0.00 C ATOM 1020 O SER A 158 5.733 -4.413 -10.186 1.00 0.00 O ATOM 1021 CB SER A 158 8.508 -6.385 -10.868 1.00 0.00 C ATOM 1022 OG SER A 158 9.910 -6.488 -10.636 1.00 0.00 O ATOM 0 H SER A 158 8.079 -4.653 -8.827 1.00 0.00 H new ATOM 0 HA SER A 158 8.460 -4.418 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.973 -6.918 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.262 -6.875 -11.810 1.00 0.00 H new ATOM 0 HG SER A 158 10.169 -7.433 -10.614 1.00 0.00 H new ATOM 1028 N GLU A 159 5.993 -5.239 -12.281 1.00 0.00 N ATOM 1029 CA GLU A 159 4.531 -5.428 -12.610 1.00 0.00 C ATOM 1030 C GLU A 159 3.631 -6.061 -11.498 1.00 0.00 C ATOM 1031 O GLU A 159 2.554 -5.548 -11.175 1.00 0.00 O ATOM 1032 CB GLU A 159 4.331 -6.181 -13.957 1.00 0.00 C ATOM 1033 CG GLU A 159 5.149 -7.451 -14.304 1.00 0.00 C ATOM 1034 CD GLU A 159 4.683 -8.111 -15.608 1.00 0.00 C ATOM 1035 OE1 GLU A 159 5.176 -7.727 -16.692 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.820 -9.016 -15.553 1.00 0.00 O ATOM 0 H GLU A 159 6.607 -5.464 -13.064 1.00 0.00 H new ATOM 0 HA GLU A 159 4.176 -4.401 -12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 159 3.278 -6.458 -14.012 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.513 -5.459 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.203 -7.188 -14.390 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.065 -8.168 -13.487 1.00 0.00 H new ATOM 1043 N GLN A 160 4.163 -7.128 -10.891 1.00 0.00 N ATOM 1044 CA GLN A 160 3.596 -7.824 -9.709 1.00 0.00 C ATOM 1045 C GLN A 160 3.278 -7.003 -8.421 1.00 0.00 C ATOM 1046 O GLN A 160 2.547 -7.544 -7.589 1.00 0.00 O ATOM 1047 CB GLN A 160 4.581 -8.966 -9.328 1.00 0.00 C ATOM 1048 CG GLN A 160 4.693 -10.130 -10.343 1.00 0.00 C ATOM 1049 CD GLN A 160 5.618 -11.270 -9.876 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.769 -11.056 -9.495 1.00 0.00 O ATOM 1051 NE2 GLN A 160 5.148 -12.508 -9.923 1.00 0.00 N ATOM 0 H GLN A 160 5.032 -7.553 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 160 2.608 -8.142 -10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.572 -8.534 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.276 -9.377 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.698 -10.534 -10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 160 5.062 -9.740 -11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.194 -12.680 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.741 -13.289 -9.643 1.00 0.00 H new ATOM 1060 N GLU A 161 3.779 -5.768 -8.201 1.00 0.00 N ATOM 1061 CA GLU A 161 3.424 -4.993 -6.975 1.00 0.00 C ATOM 1062 C GLU A 161 2.092 -4.211 -7.073 1.00 0.00 C ATOM 1063 O GLU A 161 1.209 -4.484 -6.255 1.00 0.00 O ATOM 1064 CB GLU A 161 4.578 -4.085 -6.511 1.00 0.00 C ATOM 1065 CG GLU A 161 5.807 -4.812 -5.906 1.00 0.00 C ATOM 1066 CD GLU A 161 5.582 -5.498 -4.548 1.00 0.00 C ATOM 1067 OE1 GLU A 161 4.955 -4.897 -3.648 1.00 0.00 O ATOM 1068 OE2 GLU A 161 6.044 -6.648 -4.374 1.00 0.00 O ATOM 0 H GLU A 161 4.417 -5.288 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 161 3.258 -5.750 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.913 -3.492 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.190 -3.387 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.147 -5.563 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.615 -4.088 -5.796 1.00 0.00 H new ATOM 1075 N PHE A 162 1.888 -3.290 -8.042 1.00 0.00 N ATOM 1076 CA PHE A 162 0.514 -2.698 -8.259 1.00 0.00 C ATOM 1077 C PHE A 162 -0.483 -3.803 -8.720 1.00 0.00 C ATOM 1078 O PHE A 162 -1.522 -3.950 -8.068 1.00 0.00 O ATOM 1079 CB PHE A 162 0.505 -1.426 -9.163 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.693 -0.419 -9.237 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.982 -0.684 -8.724 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.539 0.746 -10.021 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.089 0.023 -9.172 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.646 1.457 -10.443 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.917 1.057 -10.076 1.00 0.00 C ATOM 0 H PHE A 162 2.612 -2.941 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 162 0.168 -2.322 -7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.379 -0.841 -8.876 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.675 -1.774 -10.182 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.108 -1.448 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.451 1.083 -10.292 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.077 -0.232 -8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.517 2.331 -11.064 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.779 1.553 -10.496 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.149 -4.632 -9.738 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.069 -5.711 -10.195 1.00 0.00 C ATOM 1097 C LEU A 163 -1.229 -6.894 -9.197 1.00 0.00 C ATOM 1098 O LEU A 163 -2.366 -7.279 -8.903 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.683 -6.249 -11.604 1.00 0.00 C ATOM 1100 CG LEU A 163 -0.866 -5.346 -12.856 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.065 -4.030 -12.875 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.531 -6.145 -14.128 1.00 0.00 C ATOM 0 H LEU A 163 0.731 -4.580 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.043 -5.224 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.367 -6.539 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.259 -7.159 -11.773 1.00 0.00 H new ATOM 0 HG LEU A 163 -1.913 -5.045 -12.815 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.276 -3.489 -13.797 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.352 -3.417 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 163 1.001 -4.252 -12.821 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.661 -5.508 -15.003 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.502 -6.489 -14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.197 -7.005 -14.203 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.120 -7.474 -8.703 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.173 -8.637 -7.791 1.00 0.00 C ATOM 1116 C ARG A 164 -0.603 -8.342 -6.337 1.00 0.00 C ATOM 1117 O ARG A 164 -1.317 -9.178 -5.773 1.00 0.00 O ATOM 1118 CB ARG A 164 1.218 -9.264 -7.802 1.00 0.00 C ATOM 1119 CG ARG A 164 1.213 -10.676 -7.198 1.00 0.00 C ATOM 1120 CD ARG A 164 2.613 -11.313 -7.219 1.00 0.00 C ATOM 1121 NE ARG A 164 2.603 -12.703 -6.697 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.703 -13.388 -6.327 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.939 -12.894 -6.366 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.544 -14.626 -5.894 1.00 0.00 N ATOM 0 H ARG A 164 0.825 -7.158 -8.919 1.00 0.00 H new ATOM 0 HA ARG A 164 -0.955 -9.299 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.588 -9.308 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.906 -8.631 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.850 -10.630 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.519 -11.306 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.996 -11.312 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.295 -10.707 -6.623 1.00 0.00 H new ATOM 0 HE ARG A 164 1.701 -13.172 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.097 -11.940 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.728 -13.469 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.610 -15.034 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.355 -15.174 -5.606 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.203 -7.195 -5.729 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.730 -6.812 -4.384 1.00 0.00 C ATOM 1140 C ILE A 165 -2.233 -6.327 -4.499 1.00 0.00 C ATOM 1141 O ILE A 165 -2.994 -6.665 -3.586 1.00 0.00 O ATOM 1142 CB ILE A 165 0.200 -5.838 -3.552 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.765 -6.061 -3.501 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.307 -5.792 -2.086 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.375 -7.453 -3.681 1.00 0.00 C ATOM 0 H ILE A 165 0.462 -6.534 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.718 -7.717 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 165 0.104 -4.916 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 165 2.203 -5.421 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 165 2.108 -5.685 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.326 -5.124 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.334 -5.427 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.270 -6.793 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.461 -7.386 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 165 2.002 -8.117 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 165 2.097 -7.848 -4.658 1.00 0.00 H new ATOM 1157 N MET A 166 -2.706 -5.628 -5.575 1.00 0.00 N ATOM 1158 CA MET A 166 -4.168 -5.385 -5.797 1.00 0.00 C ATOM 1159 C MET A 166 -5.047 -6.683 -5.874 1.00 0.00 C ATOM 1160 O MET A 166 -6.084 -6.732 -5.205 1.00 0.00 O ATOM 1161 CB MET A 166 -4.377 -4.490 -7.051 1.00 0.00 C ATOM 1162 CG MET A 166 -5.811 -3.979 -7.289 1.00 0.00 C ATOM 1163 SD MET A 166 -6.376 -2.994 -5.881 1.00 0.00 S ATOM 1164 CE MET A 166 -8.136 -3.386 -5.869 1.00 0.00 C ATOM 0 H MET A 166 -2.105 -5.227 -6.295 1.00 0.00 H new ATOM 0 HA MET A 166 -4.522 -4.865 -4.907 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.715 -3.628 -6.971 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.063 -5.053 -7.930 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.843 -3.377 -8.197 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.483 -4.823 -7.443 1.00 0.00 H new ATOM 0 HE1 MET A 166 -8.622 -2.851 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.582 -3.085 -6.817 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.269 -4.459 -5.730 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.649 -7.702 -6.669 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.442 -8.944 -6.846 1.00 0.00 C ATOM 1176 C LYS A 167 -5.521 -9.851 -5.595 1.00 0.00 C ATOM 1177 O LYS A 167 -6.582 -9.940 -4.972 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.810 -9.708 -8.014 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.716 -10.843 -8.511 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.130 -11.593 -9.730 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.011 -12.729 -10.295 1.00 0.00 C ATOM 1182 NZ LYS A 167 -7.229 -12.243 -10.971 1.00 0.00 N ATOM 0 H LYS A 167 -3.779 -7.690 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.476 -8.658 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.610 -9.018 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.850 -10.120 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -5.880 -11.552 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.690 -10.433 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.944 -10.871 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.164 -12.012 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -5.424 -13.318 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -6.297 -13.396 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -7.775 -13.053 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -7.809 -11.704 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -6.963 -11.629 -11.767 1.00 0.00 H new ATOM 1301 N TRP B 2 0.906 -1.694 0.861 1.00 0.00 N ATOM 1302 CA TRP B 2 0.717 -1.644 -0.618 1.00 0.00 C ATOM 1303 C TRP B 2 -0.748 -1.882 -1.103 1.00 0.00 C ATOM 1304 O TRP B 2 -1.024 -1.477 -2.230 1.00 0.00 O ATOM 1305 CB TRP B 2 1.624 -2.669 -1.335 1.00 0.00 C ATOM 1306 CG TRP B 2 3.071 -2.279 -1.628 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.168 -2.852 -0.970 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.607 -1.594 -2.717 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.372 -2.559 -1.619 1.00 0.00 N ATOM 1310 CE2 TRP B 2 5.017 -1.736 -2.672 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.997 -0.913 -3.800 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.836 -1.139 -3.676 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.816 -0.373 -4.796 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.209 -0.492 -4.742 1.00 0.00 C ATOM 0 HA TRP B 2 0.987 -0.621 -0.879 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.641 -3.577 -0.732 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.151 -2.925 -2.283 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.093 -3.447 -0.072 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.307 -2.882 -1.370 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.923 -0.813 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.913 -1.186 -3.613 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.363 0.148 -5.626 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.809 -0.076 -5.538 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.662 -2.534 -0.347 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.105 -2.609 -0.712 1.00 0.00 C ATOM 1327 C LYS B 3 -3.854 -1.244 -0.629 1.00 0.00 C ATOM 1328 O LYS B 3 -4.604 -0.921 -1.555 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.790 -3.616 0.221 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.226 -3.925 -0.239 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.996 -4.868 0.707 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.436 -5.152 0.230 1.00 0.00 C ATOM 1333 NZ LYS B 3 -8.179 -5.982 1.194 1.00 0.00 N ATOM 0 H LYS B 3 -1.430 -3.017 0.521 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.153 -2.919 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.210 -4.538 0.251 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.809 -3.218 1.236 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.777 -2.989 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.190 -4.372 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.455 -5.810 0.793 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -6.029 -4.427 1.703 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.962 -4.209 0.081 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.406 -5.656 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.141 -6.151 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.691 -6.892 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.230 -5.490 2.109 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.653 -0.446 0.448 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.149 0.969 0.499 1.00 0.00 C ATOM 1349 C LEU B 4 -3.509 1.909 -0.581 1.00 0.00 C ATOM 1350 O LEU B 4 -4.229 2.740 -1.144 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.021 1.583 1.922 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.800 0.902 3.087 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -4.598 1.682 4.403 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -6.314 0.741 2.826 1.00 0.00 C ATOM 0 H LEU B 4 -3.158 -0.745 1.288 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.208 0.903 0.251 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -2.964 1.592 2.188 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.344 2.622 1.867 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.382 -0.102 3.163 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.150 1.191 5.205 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -3.537 1.705 4.653 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.964 2.701 4.282 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.782 0.259 3.684 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.763 1.722 2.672 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.467 0.128 1.938 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.201 1.761 -0.895 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.561 2.409 -2.081 1.00 0.00 C ATOM 1368 C LEU B 5 -2.108 1.860 -3.445 1.00 0.00 C ATOM 1369 O LEU B 5 -2.225 2.642 -4.385 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.013 2.248 -1.965 1.00 0.00 C ATOM 1371 CG LEU B 5 0.944 3.151 -2.803 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.988 2.858 -4.317 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.757 4.656 -2.538 1.00 0.00 C ATOM 0 H LEU B 5 -1.557 1.195 -0.343 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.818 3.468 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.247 2.391 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.222 1.213 -2.214 1.00 0.00 H new ATOM 0 HG LEU B 5 1.925 2.861 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.684 3.544 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.318 1.832 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.007 2.991 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.454 5.223 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.264 4.945 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.948 4.867 -1.486 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.462 0.560 -3.554 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.125 -0.035 -4.736 1.00 0.00 C ATOM 1387 C ALA B 6 -4.541 0.516 -5.048 1.00 0.00 C ATOM 1388 O ALA B 6 -4.840 0.600 -6.231 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.148 -1.569 -4.625 1.00 0.00 C ATOM 0 H ALA B 6 -2.292 -0.117 -2.810 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.515 0.270 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.639 -1.990 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.127 -1.945 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.695 -1.861 -3.728 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.388 0.864 -4.051 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.645 1.658 -4.267 1.00 0.00 C ATOM 1397 C LYS B 7 -6.364 3.140 -4.689 1.00 0.00 C ATOM 1398 O LYS B 7 -6.857 3.661 -5.717 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.442 1.718 -2.955 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.083 0.387 -2.510 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.234 -0.093 -3.418 1.00 0.00 C ATOM 1402 CE LYS B 7 -9.965 -1.334 -2.866 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.062 -1.757 -3.755 1.00 0.00 N ATOM 0 H LYS B 7 -5.231 0.610 -3.076 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.191 1.157 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.779 2.066 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -8.230 2.464 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -7.312 -0.383 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -8.460 0.500 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.952 0.718 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -8.837 -0.323 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -9.255 -2.153 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -10.363 -1.112 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -11.531 -2.594 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -11.752 -0.984 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -10.678 -1.992 -4.692 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.493 3.776 -3.863 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.861 5.080 -4.162 1.00 0.00 C ATOM 1419 C GLY B 8 -4.401 5.288 -5.620 1.00 0.00 C ATOM 1420 O GLY B 8 -4.743 6.327 -6.188 1.00 0.00 O ATOM 0 H GLY B 8 -5.209 3.390 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.567 5.871 -3.908 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.997 5.202 -3.508 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.675 4.308 -6.217 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.438 4.306 -7.684 1.00 0.00 C ATOM 1426 C LEU B 9 -4.462 3.465 -8.546 1.00 0.00 C ATOM 1427 O LEU B 9 -4.452 3.589 -9.770 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.953 4.102 -8.043 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.593 4.814 -9.392 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.724 6.351 -9.445 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.111 4.641 -9.717 1.00 0.00 C ATOM 0 H LEU B 9 -3.252 3.525 -5.718 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.677 5.320 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.325 4.495 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.738 3.036 -8.123 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.312 4.345 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.443 6.706 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.755 6.636 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -1.066 6.798 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU B 9 0.116 5.143 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.490 5.077 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.120 3.580 -9.807 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.413 2.706 -7.968 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.643 2.158 -8.675 1.00 0.00 C ATOM 1445 C LEU B 10 -7.457 3.302 -9.394 1.00 0.00 C ATOM 1446 O LEU B 10 -8.196 3.020 -10.340 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.589 1.304 -7.781 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.621 0.378 -8.491 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -7.958 -0.829 -9.185 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.685 -0.119 -7.491 1.00 0.00 C ATOM 0 H LEU B 10 -5.371 2.439 -6.985 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.241 1.472 -9.420 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.969 0.681 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.141 1.984 -7.132 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.097 0.981 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.724 -1.440 -9.663 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.254 -0.474 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.426 -1.427 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.396 -0.764 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -9.200 -0.680 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -10.212 0.735 -7.066 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.249 4.576 -8.962 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.547 5.832 -9.755 1.00 0.00 C ATOM 1464 C ILE B 11 -7.260 5.823 -11.332 1.00 0.00 C ATOM 1465 O ILE B 11 -7.571 6.799 -12.017 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.606 6.942 -9.104 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.020 8.419 -9.361 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.085 6.784 -9.475 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.388 8.828 -8.791 1.00 0.00 C ATOM 0 H ILE B 11 -6.864 4.777 -8.039 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.624 5.986 -9.697 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.750 6.741 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.258 9.072 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.026 8.595 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.509 7.575 -8.995 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.726 5.814 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.965 6.853 -10.556 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.581 9.875 -9.024 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.167 8.208 -9.234 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.387 8.692 -7.710 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.560 4.774 -11.826 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.018 4.567 -13.207 1.00 0.00 C ATOM 1483 C ARG B 12 -6.712 5.215 -14.443 1.00 0.00 C ATOM 1484 O ARG B 12 -6.033 5.751 -15.323 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.004 3.021 -13.380 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.403 2.343 -13.441 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.472 0.888 -12.931 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.877 0.386 -12.940 1.00 0.00 N ATOM 1489 CZ ARG B 12 -9.240 -0.905 -12.849 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -8.380 -1.909 -12.722 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -10.527 -1.193 -12.889 1.00 0.00 N ATOM 0 H ARG B 12 -6.337 3.980 -11.226 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.064 5.093 -13.228 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.462 2.780 -14.294 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.444 2.585 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -8.102 2.944 -12.860 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.749 2.362 -14.474 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.849 0.249 -13.557 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.069 0.833 -11.920 1.00 0.00 H new ATOM 0 HE ARG B 12 -9.622 1.078 -13.022 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -7.378 -1.721 -12.688 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -8.721 -2.868 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -11.214 -0.445 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.835 -2.163 -12.822 1.00 0.00 H new