USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=6 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 108 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 1.2: 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 :FLIP amide:sc= 0 F(o=-0.81,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=-0.0074) USER MOD Single : A 145 MET CE :methyl 177:sc= -0.441 (180deg=-0.48) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 166 MET CE :methyl 166:sc= -0.0342 (180deg=-0.193) 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 Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.477 -2.071 -15.564 1.00 0.00 N ATOM 200 CA ILE A 106 -4.485 -2.183 -14.435 1.00 0.00 C ATOM 201 C ILE A 106 -2.979 -2.080 -14.884 1.00 0.00 C ATOM 202 O ILE A 106 -2.201 -1.416 -14.190 1.00 0.00 O ATOM 203 CB ILE A 106 -4.722 -3.421 -13.492 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.784 -4.795 -14.221 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.942 -3.199 -12.556 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.804 -6.051 -13.336 1.00 0.00 C ATOM 0 HA ILE A 106 -4.688 -1.294 -13.837 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.826 -3.483 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.676 -4.807 -14.847 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.925 -4.864 -14.889 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.076 -4.073 -11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.769 -2.321 -11.934 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.839 -3.047 -13.157 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.848 -6.939 -13.966 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.900 -6.082 -12.728 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.678 -6.024 -12.686 1.00 0.00 H new ATOM 218 N LEU A 107 -2.581 -2.662 -16.041 1.00 0.00 N ATOM 219 CA LEU A 107 -1.241 -2.431 -16.666 1.00 0.00 C ATOM 220 C LEU A 107 -0.976 -0.936 -17.048 1.00 0.00 C ATOM 221 O LEU A 107 0.104 -0.430 -16.740 1.00 0.00 O ATOM 222 CB LEU A 107 -1.063 -3.423 -17.858 1.00 0.00 C ATOM 223 CG LEU A 107 0.366 -3.725 -18.403 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.054 -2.536 -19.102 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.306 -4.366 -17.359 1.00 0.00 C ATOM 0 H LEU A 107 -3.171 -3.303 -16.571 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.471 -2.639 -15.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.506 -4.373 -17.560 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.655 -3.042 -18.690 1.00 0.00 H new ATOM 0 HG LEU A 107 0.179 -4.469 -19.177 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.042 -2.839 -19.448 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.453 -2.218 -19.954 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.154 -1.709 -18.399 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.281 -4.547 -17.810 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.419 -3.693 -16.509 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.882 -5.311 -17.020 1.00 0.00 H new ATOM 237 N LYS A 108 -1.954 -0.232 -17.656 1.00 0.00 N ATOM 238 CA LYS A 108 -1.903 1.245 -17.861 1.00 0.00 C ATOM 239 C LYS A 108 -1.771 2.125 -16.579 1.00 0.00 C ATOM 240 O LYS A 108 -1.126 3.172 -16.648 1.00 0.00 O ATOM 241 CB LYS A 108 -3.156 1.638 -18.667 1.00 0.00 C ATOM 242 CG LYS A 108 -3.183 3.105 -19.145 1.00 0.00 C ATOM 243 CD LYS A 108 -2.201 3.495 -20.273 1.00 0.00 C ATOM 244 CE LYS A 108 -2.602 3.004 -21.680 1.00 0.00 C ATOM 245 NZ LYS A 108 -1.695 3.525 -22.716 1.00 0.00 N ATOM 0 H LYS A 108 -2.803 -0.664 -18.021 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.974 1.453 -18.392 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.231 0.986 -19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.038 1.454 -18.054 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.194 3.332 -19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.983 3.745 -18.286 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.108 4.581 -20.295 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.216 3.096 -20.032 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.592 1.914 -21.702 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.623 3.318 -21.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.828 2.987 -23.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.905 4.529 -22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.710 3.427 -22.396 1.00 0.00 H new ATOM 259 N ALA A 109 -2.345 1.707 -15.434 1.00 0.00 N ATOM 260 CA ALA A 109 -2.099 2.340 -14.110 1.00 0.00 C ATOM 261 C ALA A 109 -0.652 2.137 -13.533 1.00 0.00 C ATOM 262 O ALA A 109 -0.054 3.081 -12.998 1.00 0.00 O ATOM 263 CB ALA A 109 -3.223 1.855 -13.190 1.00 0.00 C ATOM 0 H ALA A 109 -2.994 0.921 -15.394 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.126 3.425 -14.208 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.095 2.289 -12.199 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.186 2.162 -13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.190 0.768 -13.117 1.00 0.00 H new ATOM 269 N PHE A 110 -0.051 0.929 -13.651 1.00 0.00 N ATOM 270 CA PHE A 110 1.417 0.737 -13.421 1.00 0.00 C ATOM 271 C PHE A 110 2.268 1.632 -14.419 1.00 0.00 C ATOM 272 O PHE A 110 3.324 2.119 -14.018 1.00 0.00 O ATOM 273 CB PHE A 110 1.702 -0.786 -13.458 1.00 0.00 C ATOM 274 CG PHE A 110 3.176 -1.218 -13.316 1.00 0.00 C ATOM 275 CD1 PHE A 110 4.031 -1.190 -14.423 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.703 -1.519 -12.060 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.410 -1.325 -14.255 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.085 -1.608 -11.884 1.00 0.00 C ATOM 279 CZ PHE A 110 5.940 -1.506 -12.980 1.00 0.00 C ATOM 0 H PHE A 110 -0.548 0.074 -13.902 1.00 0.00 H new ATOM 0 HA PHE A 110 1.733 1.091 -12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.130 -1.259 -12.659 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.321 -1.181 -14.400 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.621 -1.063 -15.414 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.041 -1.683 -11.223 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.065 -1.289 -15.113 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.493 -1.756 -10.895 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.009 -1.567 -12.841 1.00 0.00 H new ATOM 289 N LYS A 111 1.806 1.862 -15.677 1.00 0.00 N ATOM 290 CA LYS A 111 2.342 2.911 -16.594 1.00 0.00 C ATOM 291 C LYS A 111 2.154 4.376 -16.073 1.00 0.00 C ATOM 292 O LYS A 111 3.006 5.216 -16.371 1.00 0.00 O ATOM 293 CB LYS A 111 1.671 2.771 -17.966 1.00 0.00 C ATOM 294 CG LYS A 111 2.090 1.461 -18.658 1.00 0.00 C ATOM 295 CD LYS A 111 1.412 1.159 -20.013 1.00 0.00 C ATOM 296 CE LYS A 111 1.824 2.079 -21.180 1.00 0.00 C ATOM 297 NZ LYS A 111 1.234 1.630 -22.455 1.00 0.00 N ATOM 0 H LYS A 111 1.045 1.322 -16.089 1.00 0.00 H new ATOM 0 HA LYS A 111 3.418 2.745 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.588 2.793 -17.848 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.941 3.620 -18.594 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.169 1.485 -18.812 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.883 0.634 -17.979 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.635 0.128 -20.289 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.332 1.228 -19.883 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.506 3.100 -20.970 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.910 2.095 -21.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.531 2.270 -23.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.558 0.665 -22.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.197 1.638 -22.380 1.00 0.00 H new ATOM 311 N LEU A 112 1.077 4.688 -15.297 1.00 0.00 N ATOM 312 CA LEU A 112 0.966 5.967 -14.504 1.00 0.00 C ATOM 313 C LEU A 112 2.167 6.100 -13.518 1.00 0.00 C ATOM 314 O LEU A 112 2.730 7.199 -13.458 1.00 0.00 O ATOM 315 CB LEU A 112 -0.407 6.210 -13.777 1.00 0.00 C ATOM 316 CG LEU A 112 -1.554 6.653 -14.729 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.920 6.505 -14.043 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.397 8.104 -15.237 1.00 0.00 C ATOM 0 H LEU A 112 0.267 4.076 -15.198 1.00 0.00 H new ATOM 0 HA LEU A 112 1.005 6.762 -15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.704 5.293 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.271 6.972 -13.009 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.494 5.992 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.707 6.821 -14.728 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.077 5.463 -13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.947 7.127 -13.148 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.229 8.351 -15.896 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.391 8.788 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.460 8.198 -15.785 1.00 0.00 H new ATOM 330 N PHE A 113 2.614 5.024 -12.808 1.00 0.00 N ATOM 331 CA PHE A 113 3.943 5.063 -12.122 1.00 0.00 C ATOM 332 C PHE A 113 5.131 5.312 -13.151 1.00 0.00 C ATOM 333 O PHE A 113 5.928 6.233 -12.970 1.00 0.00 O ATOM 334 CB PHE A 113 4.367 3.786 -11.328 1.00 0.00 C ATOM 335 CG PHE A 113 3.575 2.935 -10.307 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.403 3.368 -8.985 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.574 1.554 -10.566 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.290 2.427 -7.949 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.532 0.633 -9.524 1.00 0.00 C ATOM 340 CZ PHE A 113 3.345 1.072 -8.236 1.00 0.00 C ATOM 0 H PHE A 113 2.098 4.151 -12.697 1.00 0.00 H new ATOM 0 HA PHE A 113 3.789 5.878 -11.414 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.672 3.076 -12.096 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.269 4.084 -10.793 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.357 4.424 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.606 1.203 -11.587 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.160 2.759 -6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.646 -0.422 -9.727 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.240 0.353 -7.437 1.00 0.00 H new ATOM 350 N ASP A 114 5.223 4.472 -14.210 1.00 0.00 N ATOM 351 CA ASP A 114 6.382 4.374 -15.132 1.00 0.00 C ATOM 352 C ASP A 114 6.378 5.471 -16.236 1.00 0.00 C ATOM 353 O ASP A 114 5.868 5.287 -17.346 1.00 0.00 O ATOM 354 CB ASP A 114 6.325 2.912 -15.657 1.00 0.00 C ATOM 355 CG ASP A 114 7.493 2.402 -16.506 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.670 2.714 -16.216 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.220 1.650 -17.466 1.00 0.00 O ATOM 0 H ASP A 114 4.473 3.826 -14.454 1.00 0.00 H new ATOM 0 HA ASP A 114 7.333 4.571 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.227 2.252 -14.795 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.414 2.805 -16.246 1.00 0.00 H new ATOM 422 N LYS A 120 9.993 -0.655 -14.661 1.00 0.00 N ATOM 423 CA LYS A 120 10.585 -0.782 -13.305 1.00 0.00 C ATOM 424 C LYS A 120 10.486 0.593 -12.598 1.00 0.00 C ATOM 425 O LYS A 120 10.744 1.630 -13.224 1.00 0.00 O ATOM 426 CB LYS A 120 12.066 -1.170 -13.405 1.00 0.00 C ATOM 427 CG LYS A 120 12.310 -2.615 -13.890 1.00 0.00 C ATOM 428 CD LYS A 120 13.272 -3.453 -13.017 1.00 0.00 C ATOM 429 CE LYS A 120 14.745 -2.988 -13.031 1.00 0.00 C ATOM 430 NZ LYS A 120 15.588 -3.840 -12.174 1.00 0.00 N ATOM 0 HA LYS A 120 10.049 -1.550 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.565 -0.481 -14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.530 -1.044 -12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.351 -3.130 -13.941 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.706 -2.578 -14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.912 -3.436 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.231 -4.490 -13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.125 -3.009 -14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 120 14.805 -1.955 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.570 -3.500 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.240 -3.800 -11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.550 -4.822 -12.515 1.00 0.00 H new ATOM 444 N ILE A 121 10.105 0.614 -11.302 1.00 0.00 N ATOM 445 CA ILE A 121 9.717 1.893 -10.602 1.00 0.00 C ATOM 446 C ILE A 121 10.240 2.046 -9.129 1.00 0.00 C ATOM 447 O ILE A 121 10.847 1.141 -8.551 1.00 0.00 O ATOM 448 CB ILE A 121 8.162 2.162 -10.755 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.164 1.111 -10.191 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.818 2.482 -12.230 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.976 1.196 -8.679 1.00 0.00 C ATOM 0 H ILE A 121 10.053 -0.217 -10.713 1.00 0.00 H new ATOM 0 HA ILE A 121 10.252 2.689 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 121 8.006 3.016 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.197 1.243 -10.677 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.517 0.112 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.747 2.665 -12.323 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.366 3.369 -12.547 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.098 1.638 -12.860 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.267 0.433 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.933 1.034 -8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.593 2.182 -8.415 1.00 0.00 H new ATOM 463 N SER A 122 10.014 3.260 -8.565 1.00 0.00 N ATOM 464 CA SER A 122 10.583 3.722 -7.268 1.00 0.00 C ATOM 465 C SER A 122 9.516 4.396 -6.334 1.00 0.00 C ATOM 466 O SER A 122 8.400 4.722 -6.750 1.00 0.00 O ATOM 467 CB SER A 122 11.771 4.657 -7.614 1.00 0.00 C ATOM 468 OG SER A 122 12.550 4.969 -6.465 1.00 0.00 O ATOM 0 H SER A 122 9.419 3.961 -9.007 1.00 0.00 H new ATOM 0 HA SER A 122 10.931 2.872 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.403 4.180 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.392 5.578 -8.057 1.00 0.00 H new ATOM 0 HG SER A 122 13.290 5.558 -6.722 1.00 0.00 H new ATOM 474 N PHE A 123 9.922 4.624 -5.061 1.00 0.00 N ATOM 475 CA PHE A 123 9.203 5.433 -4.017 1.00 0.00 C ATOM 476 C PHE A 123 8.347 6.652 -4.494 1.00 0.00 C ATOM 477 O PHE A 123 7.155 6.769 -4.177 1.00 0.00 O ATOM 478 CB PHE A 123 10.302 5.835 -2.969 1.00 0.00 C ATOM 479 CG PHE A 123 9.860 6.683 -1.756 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.692 8.068 -1.896 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.531 6.077 -0.540 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.082 8.809 -0.890 1.00 0.00 C ATOM 483 CE2 PHE A 123 8.971 6.833 0.487 1.00 0.00 C ATOM 484 CZ PHE A 123 8.696 8.185 0.290 1.00 0.00 C ATOM 0 H PHE A 123 10.797 4.237 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 123 8.412 4.809 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.756 4.919 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.083 6.384 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.039 8.563 -2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.711 5.022 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.909 9.866 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.749 6.371 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.182 8.748 1.055 1.00 0.00 H new ATOM 494 N LYS A 124 9.010 7.566 -5.217 1.00 0.00 N ATOM 495 CA LYS A 124 8.387 8.823 -5.700 1.00 0.00 C ATOM 496 C LYS A 124 7.277 8.648 -6.754 1.00 0.00 C ATOM 497 O LYS A 124 6.274 9.359 -6.680 1.00 0.00 O ATOM 498 CB LYS A 124 9.445 9.764 -6.282 1.00 0.00 C ATOM 499 CG LYS A 124 10.205 10.496 -5.170 1.00 0.00 C ATOM 500 CD LYS A 124 11.095 11.635 -5.701 1.00 0.00 C ATOM 501 CE LYS A 124 11.903 12.281 -4.568 1.00 0.00 C ATOM 502 NZ LYS A 124 12.734 13.398 -5.049 1.00 0.00 N ATOM 0 H LYS A 124 9.988 7.463 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 124 7.916 9.240 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.146 9.195 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.968 10.491 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.490 10.904 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.824 9.781 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.774 11.246 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.475 12.389 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.222 12.642 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.541 11.529 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.263 13.806 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.402 13.050 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.124 14.128 -5.469 1.00 0.00 H new ATOM 516 N ASN A 125 7.412 7.688 -7.690 1.00 0.00 N ATOM 517 CA ASN A 125 6.300 7.338 -8.630 1.00 0.00 C ATOM 518 C ASN A 125 4.976 6.897 -7.904 1.00 0.00 C ATOM 519 O ASN A 125 3.917 7.473 -8.231 1.00 0.00 O ATOM 520 CB ASN A 125 6.737 6.322 -9.727 1.00 0.00 C ATOM 521 CG ASN A 125 7.939 6.748 -10.602 1.00 0.00 C ATOM 522 OD1 ASN A 125 8.978 5.932 -10.680 1.00 0.00 O flip ATOM 523 ND2 ASN A 125 7.937 7.812 -11.218 1.00 0.00 N flip ATOM 0 H ASN A 125 8.263 7.141 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 125 6.058 8.269 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.982 5.377 -9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.885 6.134 -10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.133 8.437 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.739 8.070 -11.793 1.00 0.00 H new ATOM 530 N LEU A 126 5.089 5.996 -6.865 1.00 0.00 N ATOM 531 CA LEU A 126 3.980 5.636 -5.920 1.00 0.00 C ATOM 532 C LEU A 126 3.285 6.936 -5.387 1.00 0.00 C ATOM 533 O LEU A 126 2.142 7.217 -5.765 1.00 0.00 O ATOM 534 CB LEU A 126 4.305 4.677 -4.692 1.00 0.00 C ATOM 535 CG LEU A 126 5.541 3.732 -4.476 1.00 0.00 C ATOM 536 CD1 LEU A 126 5.303 2.819 -3.254 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.948 2.875 -5.669 1.00 0.00 C ATOM 0 H LEU A 126 5.958 5.501 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 126 3.329 5.028 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.296 5.329 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.436 4.024 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 126 6.375 4.415 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.166 2.168 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.162 3.432 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.413 2.212 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.811 2.265 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.119 2.226 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.206 3.520 -6.509 1.00 0.00 H new ATOM 549 N LYS A 127 4.034 7.756 -4.617 1.00 0.00 N ATOM 550 CA LYS A 127 3.593 9.074 -4.137 1.00 0.00 C ATOM 551 C LYS A 127 3.207 10.172 -5.158 1.00 0.00 C ATOM 552 O LYS A 127 2.633 11.179 -4.750 1.00 0.00 O ATOM 553 CB LYS A 127 4.832 9.618 -3.443 1.00 0.00 C ATOM 554 CG LYS A 127 4.485 10.650 -2.343 1.00 0.00 C ATOM 555 CD LYS A 127 5.743 11.242 -1.673 1.00 0.00 C ATOM 556 CE LYS A 127 5.420 12.226 -0.533 1.00 0.00 C ATOM 557 NZ LYS A 127 6.648 12.771 0.073 1.00 0.00 N ATOM 0 H LYS A 127 4.976 7.512 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 127 2.676 8.893 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.390 8.793 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.484 10.084 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.895 11.457 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.863 10.174 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.353 10.429 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.341 11.754 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.809 13.043 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.830 11.719 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.395 13.430 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.218 11.993 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.198 13.275 -0.651 1.00 0.00 H new ATOM 571 N ARG A 128 3.623 10.063 -6.428 1.00 0.00 N ATOM 572 CA ARG A 128 3.548 11.174 -7.409 1.00 0.00 C ATOM 573 C ARG A 128 2.185 11.228 -8.060 1.00 0.00 C ATOM 574 O ARG A 128 1.420 12.177 -7.858 1.00 0.00 O ATOM 575 CB ARG A 128 4.595 10.949 -8.504 1.00 0.00 C ATOM 576 CG ARG A 128 5.889 11.739 -8.251 1.00 0.00 C ATOM 577 CD ARG A 128 5.828 13.201 -8.744 1.00 0.00 C ATOM 578 NE ARG A 128 7.106 13.919 -8.500 1.00 0.00 N ATOM 579 CZ ARG A 128 7.331 15.206 -8.829 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.427 15.996 -9.409 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.518 15.717 -8.561 1.00 0.00 N ATOM 0 H ARG A 128 4.022 9.206 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 128 3.731 12.110 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.828 9.886 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.177 11.241 -9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.105 11.734 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.717 11.232 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.600 13.216 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 128 5.016 13.722 -8.237 1.00 0.00 H new ATOM 0 HE ARG A 128 7.864 13.403 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.500 15.633 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.663 16.963 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.233 15.141 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.720 16.688 -8.798 1.00 0.00 H new ATOM 595 N VAL A 129 1.889 10.156 -8.803 1.00 0.00 N ATOM 596 CA VAL A 129 0.515 9.932 -9.313 1.00 0.00 C ATOM 597 C VAL A 129 -0.518 9.611 -8.186 1.00 0.00 C ATOM 598 O VAL A 129 -1.654 10.081 -8.308 1.00 0.00 O ATOM 599 CB VAL A 129 0.597 8.924 -10.481 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.980 9.650 -11.760 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.562 7.733 -10.322 1.00 0.00 C ATOM 0 H VAL A 129 2.563 9.437 -9.066 1.00 0.00 H new ATOM 0 HA VAL A 129 0.099 10.855 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.403 8.491 -10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.037 8.935 -12.581 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.229 10.406 -11.988 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.950 10.130 -11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.518 7.108 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.578 8.104 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.273 7.144 -9.452 1.00 0.00 H new ATOM 611 N ALA A 130 -0.169 8.856 -7.107 1.00 0.00 N ATOM 612 CA ALA A 130 -1.073 8.781 -5.899 1.00 0.00 C ATOM 613 C ALA A 130 -1.198 10.132 -5.131 1.00 0.00 C ATOM 614 O ALA A 130 -2.239 10.437 -4.541 1.00 0.00 O ATOM 615 CB ALA A 130 -0.676 7.697 -4.879 1.00 0.00 C ATOM 0 H ALA A 130 0.689 8.310 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.035 8.518 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.376 7.710 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.702 6.719 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.331 7.894 -4.512 1.00 0.00 H new ATOM 621 N LYS A 131 -0.117 10.919 -5.194 1.00 0.00 N ATOM 622 CA LYS A 131 -0.083 12.320 -4.685 1.00 0.00 C ATOM 623 C LYS A 131 -1.002 13.358 -5.386 1.00 0.00 C ATOM 624 O LYS A 131 -1.478 14.270 -4.702 1.00 0.00 O ATOM 625 CB LYS A 131 1.366 12.811 -4.710 1.00 0.00 C ATOM 626 CG LYS A 131 1.554 13.980 -3.727 1.00 0.00 C ATOM 627 CD LYS A 131 3.008 14.496 -3.647 1.00 0.00 C ATOM 628 CE LYS A 131 3.210 15.579 -2.568 1.00 0.00 C ATOM 629 NZ LYS A 131 4.612 16.032 -2.517 1.00 0.00 N ATOM 0 H LYS A 131 0.768 10.613 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.497 12.259 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.038 11.994 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.631 13.129 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.902 14.801 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.235 13.663 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.673 13.658 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.297 14.900 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.559 16.428 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.918 15.184 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.715 16.760 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.230 15.225 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.882 16.431 -3.439 1.00 0.00 H new ATOM 643 N GLU A 132 -1.276 13.223 -6.704 1.00 0.00 N ATOM 644 CA GLU A 132 -2.331 14.019 -7.418 1.00 0.00 C ATOM 645 C GLU A 132 -3.735 13.997 -6.734 1.00 0.00 C ATOM 646 O GLU A 132 -4.353 15.053 -6.570 1.00 0.00 O ATOM 647 CB GLU A 132 -2.532 13.540 -8.882 1.00 0.00 C ATOM 648 CG GLU A 132 -1.305 13.581 -9.823 1.00 0.00 C ATOM 649 CD GLU A 132 -1.498 12.819 -11.144 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.943 11.648 -11.121 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.198 13.389 -12.215 1.00 0.00 O ATOM 0 H GLU A 132 -0.782 12.567 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.942 15.037 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.899 12.514 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.319 14.147 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.068 14.621 -10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.445 13.164 -9.299 1.00 0.00 H new ATOM 658 N LEU A 133 -4.199 12.800 -6.315 1.00 0.00 N ATOM 659 CA LEU A 133 -5.394 12.631 -5.434 1.00 0.00 C ATOM 660 C LEU A 133 -5.260 13.351 -4.051 1.00 0.00 C ATOM 661 O LEU A 133 -6.144 14.130 -3.681 1.00 0.00 O ATOM 662 CB LEU A 133 -5.720 11.094 -5.341 1.00 0.00 C ATOM 663 CG LEU A 133 -6.417 10.483 -4.082 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.862 10.950 -3.833 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.363 8.942 -4.100 1.00 0.00 C ATOM 0 H LEU A 133 -3.760 11.916 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.249 13.140 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.346 10.850 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.778 10.562 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.833 10.872 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.251 10.467 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.877 12.031 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.483 10.683 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.856 8.550 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.871 8.571 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.323 8.614 -4.112 1.00 0.00 H new ATOM 773 N GLU A 141 4.900 4.745 6.550 1.00 0.00 N ATOM 774 CA GLU A 141 4.208 3.653 5.801 1.00 0.00 C ATOM 775 C GLU A 141 4.730 3.455 4.339 1.00 0.00 C ATOM 776 O GLU A 141 4.975 2.321 3.932 1.00 0.00 O ATOM 777 CB GLU A 141 2.675 3.875 5.842 1.00 0.00 C ATOM 778 CG GLU A 141 1.872 2.590 5.539 1.00 0.00 C ATOM 779 CD GLU A 141 0.351 2.782 5.467 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.295 2.918 6.530 1.00 0.00 O ATOM 781 OE2 GLU A 141 -0.204 2.778 4.347 1.00 0.00 O ATOM 0 HA GLU A 141 4.449 2.719 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.394 4.249 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.405 4.645 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.217 2.178 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.094 1.850 6.308 1.00 0.00 H new ATOM 788 N LEU A 142 4.923 4.556 3.589 1.00 0.00 N ATOM 789 CA LEU A 142 5.559 4.588 2.238 1.00 0.00 C ATOM 790 C LEU A 142 6.988 3.923 2.125 1.00 0.00 C ATOM 791 O LEU A 142 7.235 3.113 1.221 1.00 0.00 O ATOM 792 CB LEU A 142 5.518 6.095 1.789 1.00 0.00 C ATOM 793 CG LEU A 142 4.915 6.396 0.395 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.628 7.897 0.184 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.787 5.906 -0.762 1.00 0.00 C ATOM 0 H LEU A 142 4.635 5.482 3.907 1.00 0.00 H new ATOM 0 HA LEU A 142 4.997 3.948 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.950 6.655 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.537 6.482 1.808 1.00 0.00 H new ATOM 0 HG LEU A 142 3.977 5.841 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.206 8.051 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.918 8.241 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.556 8.461 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.305 6.149 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.761 6.393 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 142 5.917 4.826 -0.688 1.00 0.00 H new ATOM 807 N GLN A 143 7.901 4.237 3.071 1.00 0.00 N ATOM 808 CA GLN A 143 9.230 3.569 3.220 1.00 0.00 C ATOM 809 C GLN A 143 9.145 2.062 3.628 1.00 0.00 C ATOM 810 O GLN A 143 9.886 1.247 3.073 1.00 0.00 O ATOM 811 CB GLN A 143 10.113 4.347 4.241 1.00 0.00 C ATOM 812 CG GLN A 143 10.722 5.681 3.745 1.00 0.00 C ATOM 813 CD GLN A 143 11.472 6.467 4.833 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.223 5.919 5.640 1.00 0.00 O ATOM 815 NE2 GLN A 143 11.311 7.779 4.851 1.00 0.00 N ATOM 0 H GLN A 143 7.742 4.968 3.764 1.00 0.00 H new ATOM 0 HA GLN A 143 9.686 3.590 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.511 4.554 5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.928 3.695 4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.407 5.473 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.924 6.306 3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.687 8.226 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.811 8.345 5.537 1.00 0.00 H new ATOM 824 N GLU A 144 8.240 1.695 4.561 1.00 0.00 N ATOM 825 CA GLU A 144 7.913 0.271 4.865 1.00 0.00 C ATOM 826 C GLU A 144 7.327 -0.558 3.690 1.00 0.00 C ATOM 827 O GLU A 144 7.615 -1.755 3.606 1.00 0.00 O ATOM 828 CB GLU A 144 6.922 0.184 6.053 1.00 0.00 C ATOM 829 CG GLU A 144 7.475 0.490 7.459 1.00 0.00 C ATOM 830 CD GLU A 144 8.366 -0.612 8.046 1.00 0.00 C ATOM 831 OE1 GLU A 144 7.831 -1.564 8.656 1.00 0.00 O ATOM 832 OE2 GLU A 144 9.606 -0.531 7.898 1.00 0.00 O ATOM 0 H GLU A 144 7.716 2.365 5.124 1.00 0.00 H new ATOM 0 HA GLU A 144 8.881 -0.171 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.099 0.872 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.501 -0.821 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 144 8.046 1.417 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 144 6.638 0.662 8.135 1.00 0.00 H new ATOM 839 N MET A 145 6.532 0.062 2.797 1.00 0.00 N ATOM 840 CA MET A 145 6.103 -0.568 1.522 1.00 0.00 C ATOM 841 C MET A 145 7.302 -0.903 0.603 1.00 0.00 C ATOM 842 O MET A 145 7.493 -2.080 0.287 1.00 0.00 O ATOM 843 CB MET A 145 5.066 0.328 0.795 1.00 0.00 C ATOM 844 CG MET A 145 3.699 0.371 1.473 1.00 0.00 C ATOM 845 SD MET A 145 2.612 1.472 0.545 1.00 0.00 S ATOM 846 CE MET A 145 1.971 2.526 1.861 1.00 0.00 C ATOM 0 H MET A 145 6.169 1.006 2.932 1.00 0.00 H new ATOM 0 HA MET A 145 5.626 -1.516 1.769 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.460 1.342 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.942 -0.032 -0.226 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.270 -0.630 1.518 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.800 0.721 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.325 3.292 1.432 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.399 1.922 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.801 3.002 2.382 1.00 0.00 H new ATOM 856 N ILE A 146 8.125 0.090 0.213 1.00 0.00 N ATOM 857 CA ILE A 146 9.246 -0.143 -0.745 1.00 0.00 C ATOM 858 C ILE A 146 10.350 -1.145 -0.253 1.00 0.00 C ATOM 859 O ILE A 146 10.798 -1.985 -1.038 1.00 0.00 O ATOM 860 CB ILE A 146 9.809 1.219 -1.287 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.428 1.059 -2.707 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.812 1.934 -0.347 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.432 0.768 -3.842 1.00 0.00 C ATOM 0 H ILE A 146 8.044 1.054 0.537 1.00 0.00 H new ATOM 0 HA ILE A 146 8.815 -0.678 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 146 8.934 1.867 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.971 1.972 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.160 0.252 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.144 2.864 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.326 2.154 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.673 1.288 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.971 0.676 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.904 -0.163 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.713 1.584 -3.914 1.00 0.00 H new ATOM 875 N ASP A 147 10.733 -1.075 1.036 1.00 0.00 N ATOM 876 CA ASP A 147 11.586 -2.108 1.699 1.00 0.00 C ATOM 877 C ASP A 147 10.913 -3.519 1.824 1.00 0.00 C ATOM 878 O ASP A 147 11.609 -4.521 1.640 1.00 0.00 O ATOM 879 CB ASP A 147 12.093 -1.612 3.079 1.00 0.00 C ATOM 880 CG ASP A 147 13.103 -0.454 3.028 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.303 -0.712 2.788 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.703 0.714 3.229 1.00 0.00 O ATOM 0 H ASP A 147 10.467 -0.308 1.654 1.00 0.00 H new ATOM 0 HA ASP A 147 12.438 -2.249 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.234 -1.298 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.552 -2.451 3.602 1.00 0.00 H new ATOM 887 N GLU A 148 9.588 -3.609 2.090 1.00 0.00 N ATOM 888 CA GLU A 148 8.796 -4.863 2.016 1.00 0.00 C ATOM 889 C GLU A 148 8.823 -5.594 0.635 1.00 0.00 C ATOM 890 O GLU A 148 9.036 -6.809 0.604 1.00 0.00 O ATOM 891 CB GLU A 148 7.362 -4.451 2.435 1.00 0.00 C ATOM 892 CG GLU A 148 6.454 -5.575 2.958 1.00 0.00 C ATOM 893 CD GLU A 148 5.878 -6.524 1.897 1.00 0.00 C ATOM 894 OE1 GLU A 148 4.991 -6.101 1.123 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.312 -7.694 1.834 1.00 0.00 O ATOM 0 H GLU A 148 9.030 -2.801 2.366 1.00 0.00 H new ATOM 0 HA GLU A 148 9.234 -5.614 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.438 -3.686 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.874 -3.989 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 148 7.020 -6.167 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.624 -5.122 3.500 1.00 0.00 H new ATOM 902 N ALA A 149 8.620 -4.865 -0.482 1.00 0.00 N ATOM 903 CA ALA A 149 8.814 -5.402 -1.855 1.00 0.00 C ATOM 904 C ALA A 149 10.276 -5.796 -2.218 1.00 0.00 C ATOM 905 O ALA A 149 10.471 -6.865 -2.802 1.00 0.00 O ATOM 906 CB ALA A 149 8.273 -4.382 -2.873 1.00 0.00 C ATOM 0 H ALA A 149 8.318 -3.891 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 149 8.258 -6.339 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.411 -4.768 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.212 -4.214 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.813 -3.441 -2.767 1.00 0.00 H new ATOM 1001 N VAL A 157 10.997 -2.074 -8.365 1.00 0.00 N ATOM 1002 CA VAL A 157 9.717 -2.845 -8.349 1.00 0.00 C ATOM 1003 C VAL A 157 9.261 -3.185 -9.810 1.00 0.00 C ATOM 1004 O VAL A 157 9.718 -2.603 -10.801 1.00 0.00 O ATOM 1005 CB VAL A 157 8.689 -1.970 -7.531 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.184 -2.105 -7.848 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.858 -2.158 -6.010 1.00 0.00 C ATOM 0 HA VAL A 157 9.814 -3.817 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 157 8.968 -0.974 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.615 -1.438 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.006 -1.838 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.867 -3.134 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.132 -1.538 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.696 -3.205 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.866 -1.864 -5.717 1.00 0.00 H new ATOM 1017 N SER A 158 8.383 -4.204 -9.900 1.00 0.00 N ATOM 1018 CA SER A 158 7.881 -4.764 -11.177 1.00 0.00 C ATOM 1019 C SER A 158 6.328 -4.661 -11.255 1.00 0.00 C ATOM 1020 O SER A 158 5.644 -4.300 -10.291 1.00 0.00 O ATOM 1021 CB SER A 158 8.395 -6.224 -11.326 1.00 0.00 C ATOM 1022 OG SER A 158 9.817 -6.279 -11.375 1.00 0.00 O ATOM 0 H SER A 158 7.996 -4.669 -9.079 1.00 0.00 H new ATOM 0 HA SER A 158 8.265 -4.184 -12.016 1.00 0.00 H new ATOM 0 HB2 SER A 158 8.036 -6.823 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 158 7.982 -6.664 -12.234 1.00 0.00 H new ATOM 0 HG SER A 158 10.105 -7.211 -11.467 1.00 0.00 H new ATOM 1028 N GLU A 159 5.784 -4.993 -12.445 1.00 0.00 N ATOM 1029 CA GLU A 159 4.303 -5.084 -12.720 1.00 0.00 C ATOM 1030 C GLU A 159 3.425 -5.776 -11.626 1.00 0.00 C ATOM 1031 O GLU A 159 2.366 -5.269 -11.245 1.00 0.00 O ATOM 1032 CB GLU A 159 3.997 -5.696 -14.116 1.00 0.00 C ATOM 1033 CG GLU A 159 4.632 -7.031 -14.576 1.00 0.00 C ATOM 1034 CD GLU A 159 4.074 -7.499 -15.926 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.616 -7.094 -16.979 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.091 -8.272 -15.940 1.00 0.00 O ATOM 0 H GLU A 159 6.353 -5.211 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 159 4.002 -4.037 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.916 -5.824 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.270 -4.945 -14.857 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.713 -6.911 -14.653 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.449 -7.798 -13.823 1.00 0.00 H new ATOM 1043 N GLN A 160 3.949 -6.887 -11.096 1.00 0.00 N ATOM 1044 CA GLN A 160 3.406 -7.623 -9.924 1.00 0.00 C ATOM 1045 C GLN A 160 3.123 -6.844 -8.601 1.00 0.00 C ATOM 1046 O GLN A 160 2.374 -7.392 -7.792 1.00 0.00 O ATOM 1047 CB GLN A 160 4.376 -8.794 -9.602 1.00 0.00 C ATOM 1048 CG GLN A 160 4.422 -9.933 -10.651 1.00 0.00 C ATOM 1049 CD GLN A 160 5.310 -11.119 -10.242 1.00 0.00 C ATOM 1050 OE1 GLN A 160 4.828 -12.152 -9.781 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.619 -11.005 -10.414 1.00 0.00 N ATOM 0 H GLN A 160 4.790 -7.321 -11.476 1.00 0.00 H new ATOM 0 HA GLN A 160 2.410 -7.920 -10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.381 -8.388 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.094 -9.222 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.408 -10.294 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.784 -9.529 -11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 160 7.010 -10.144 -10.797 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.236 -11.778 -10.163 1.00 0.00 H new ATOM 1060 N GLU A 161 3.667 -5.637 -8.333 1.00 0.00 N ATOM 1061 CA GLU A 161 3.322 -4.895 -7.084 1.00 0.00 C ATOM 1062 C GLU A 161 2.018 -4.064 -7.147 1.00 0.00 C ATOM 1063 O GLU A 161 1.134 -4.339 -6.329 1.00 0.00 O ATOM 1064 CB GLU A 161 4.505 -4.045 -6.592 1.00 0.00 C ATOM 1065 CG GLU A 161 5.663 -4.846 -5.948 1.00 0.00 C ATOM 1066 CD GLU A 161 5.338 -5.517 -4.601 1.00 0.00 C ATOM 1067 OE1 GLU A 161 4.748 -4.864 -3.713 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.673 -6.709 -4.429 1.00 0.00 O ATOM 0 H GLU A 161 4.331 -5.159 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 161 3.114 -5.675 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.900 -3.477 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.136 -3.321 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.982 -5.616 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.510 -4.175 -5.804 1.00 0.00 H new ATOM 1075 N PHE A 162 1.835 -3.101 -8.080 1.00 0.00 N ATOM 1076 CA PHE A 162 0.470 -2.462 -8.249 1.00 0.00 C ATOM 1077 C PHE A 162 -0.569 -3.524 -8.712 1.00 0.00 C ATOM 1078 O PHE A 162 -1.596 -3.655 -8.042 1.00 0.00 O ATOM 1079 CB PHE A 162 0.449 -1.164 -9.118 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.750 -0.147 -9.149 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.036 -0.433 -8.644 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.595 1.058 -9.872 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.142 0.304 -9.040 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.702 1.807 -10.237 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.974 1.391 -9.878 1.00 0.00 C ATOM 0 H PHE A 162 2.560 -2.751 -8.706 1.00 0.00 H new ATOM 0 HA PHE A 162 0.179 -2.100 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.329 -0.589 -8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.603 -1.485 -10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.161 -1.240 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.394 1.397 -10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.129 0.031 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.573 2.718 -10.803 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.838 1.918 -10.254 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.285 -4.338 -9.753 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.246 -5.383 -10.210 1.00 0.00 C ATOM 1097 C LEU A 163 -1.436 -6.569 -9.221 1.00 0.00 C ATOM 1098 O LEU A 163 -2.580 -6.923 -8.917 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.884 -5.924 -11.625 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.021 -5.006 -12.872 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.163 -3.727 -12.878 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.715 -5.815 -14.146 1.00 0.00 C ATOM 0 H LEU A 163 0.583 -4.299 -10.288 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.204 -4.864 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.151 -6.264 -11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.502 -6.804 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.053 -4.657 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.345 -3.171 -13.798 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.427 -3.108 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.892 -3.996 -12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.812 -5.169 -15.019 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.301 -6.205 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.418 -6.644 -14.228 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.339 -7.183 -8.744 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.408 -8.364 -7.857 1.00 0.00 C ATOM 1116 C ARG A 164 -0.829 -8.104 -6.393 1.00 0.00 C ATOM 1117 O ARG A 164 -1.548 -8.944 -5.845 1.00 0.00 O ATOM 1118 CB ARG A 164 0.974 -9.013 -7.893 1.00 0.00 C ATOM 1119 CG ARG A 164 0.935 -10.464 -7.390 1.00 0.00 C ATOM 1120 CD ARG A 164 2.318 -11.134 -7.463 1.00 0.00 C ATOM 1121 NE ARG A 164 2.266 -12.562 -7.059 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.339 -13.298 -6.706 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.583 -12.827 -6.653 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.144 -14.566 -6.393 1.00 0.00 N ATOM 0 H ARG A 164 0.612 -6.881 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.206 -9.001 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.359 -8.992 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.664 -8.434 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.577 -10.482 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.223 -11.036 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.704 -11.059 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.014 -10.600 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 164 1.354 -13.018 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.770 -11.852 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.349 -13.441 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.204 -14.960 -6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.934 -15.152 -6.121 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.420 -6.974 -5.765 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.981 -6.580 -4.436 1.00 0.00 C ATOM 1140 C ILE A 165 -2.463 -6.059 -4.566 1.00 0.00 C ATOM 1141 O ILE A 165 -3.261 -6.423 -3.696 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.079 -5.597 -3.593 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.466 -5.848 -3.500 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.618 -5.538 -2.133 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.944 -7.266 -3.146 1.00 0.00 C ATOM 0 H ILE A 165 0.277 -6.331 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.990 -7.501 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.163 -4.674 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.907 -5.576 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.872 -5.163 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.000 -4.861 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.647 -5.178 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.585 -6.535 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.033 -7.286 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.551 -7.549 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.587 -7.969 -3.899 1.00 0.00 H new ATOM 1157 N MET A 166 -2.865 -5.287 -5.614 1.00 0.00 N ATOM 1158 CA MET A 166 -4.312 -4.967 -5.865 1.00 0.00 C ATOM 1159 C MET A 166 -5.263 -6.209 -5.971 1.00 0.00 C ATOM 1160 O MET A 166 -6.326 -6.191 -5.343 1.00 0.00 O ATOM 1161 CB MET A 166 -4.465 -4.043 -7.105 1.00 0.00 C ATOM 1162 CG MET A 166 -5.840 -3.377 -7.307 1.00 0.00 C ATOM 1163 SD MET A 166 -6.115 -2.104 -6.054 1.00 0.00 S ATOM 1164 CE MET A 166 -7.397 -2.838 -5.017 1.00 0.00 C ATOM 0 H MET A 166 -2.223 -4.877 -6.293 1.00 0.00 H new ATOM 0 HA MET A 166 -4.642 -4.441 -4.969 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.713 -3.257 -7.038 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.236 -4.628 -7.996 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.894 -2.935 -8.302 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.627 -4.129 -7.249 1.00 0.00 H new ATOM 0 HE1 MET A 166 -7.476 -2.278 -4.085 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.352 -2.806 -5.542 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.138 -3.874 -4.797 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.894 -7.267 -6.726 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.722 -8.495 -6.841 1.00 0.00 C ATOM 1176 C LYS A 167 -5.744 -9.376 -5.570 1.00 0.00 C ATOM 1177 O LYS A 167 -6.784 -9.467 -4.915 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.187 -9.292 -8.034 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.156 -10.413 -8.445 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.686 -11.198 -9.688 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.680 -12.292 -10.127 1.00 0.00 C ATOM 1182 NZ LYS A 167 -6.193 -13.021 -11.312 1.00 0.00 N ATOM 0 H LYS A 167 -4.029 -7.298 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.759 -8.189 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -5.026 -8.621 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.218 -9.722 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.276 -11.104 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -7.137 -9.981 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -5.534 -10.502 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.720 -11.657 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.837 -12.993 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.646 -11.839 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -6.885 -13.749 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -6.067 -12.356 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.283 -13.473 -11.092 1.00 0.00 H new ATOM 1301 N TRP B 2 0.876 -1.868 1.020 1.00 0.00 N ATOM 1302 CA TRP B 2 0.715 -1.756 -0.461 1.00 0.00 C ATOM 1303 C TRP B 2 -0.749 -1.915 -0.976 1.00 0.00 C ATOM 1304 O TRP B 2 -1.010 -1.405 -2.061 1.00 0.00 O ATOM 1305 CB TRP B 2 1.598 -2.784 -1.204 1.00 0.00 C ATOM 1306 CG TRP B 2 3.035 -2.375 -1.477 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.127 -2.979 -0.848 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.563 -1.658 -2.547 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.321 -2.677 -1.500 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.969 -1.826 -2.529 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.944 -0.960 -3.613 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.774 -1.271 -3.567 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.752 -0.440 -4.626 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.142 -0.602 -4.613 1.00 0.00 C ATOM 0 HA TRP B 2 1.029 -0.735 -0.680 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.611 -3.706 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.123 -3.015 -2.157 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.055 -3.601 0.032 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.255 -3.013 -1.267 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.872 -0.833 -3.641 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.849 -1.367 -3.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.293 0.101 -5.440 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.733 -0.203 -5.425 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.678 -2.597 -0.268 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.123 -2.588 -0.613 1.00 0.00 C ATOM 1327 C LYS B 3 -3.835 -1.215 -0.427 1.00 0.00 C ATOM 1328 O LYS B 3 -4.622 -0.835 -1.298 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.801 -3.651 0.256 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.250 -3.917 -0.187 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.940 -5.026 0.633 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.387 -5.301 0.180 1.00 0.00 C ATOM 1333 NZ LYS B 3 -8.005 -6.378 0.973 1.00 0.00 N ATOM 0 H LYS B 3 -1.454 -3.164 0.550 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.207 -2.798 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.230 -4.578 0.206 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.793 -3.328 1.297 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.826 -2.996 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.256 -4.196 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.359 -5.945 0.551 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.943 -4.743 1.686 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.979 -4.391 0.277 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.393 -5.575 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.978 -6.538 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.453 -7.252 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.021 -6.105 1.976 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.552 -0.470 0.669 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.009 0.946 0.828 1.00 0.00 C ATOM 1349 C LEU B 4 -3.465 1.933 -0.260 1.00 0.00 C ATOM 1350 O LEU B 4 -4.259 2.689 -0.828 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.694 1.494 2.253 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.353 0.791 3.475 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -3.865 1.427 4.792 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -5.896 0.806 3.433 1.00 0.00 C ATOM 0 H LEU B 4 -3.010 -0.819 1.459 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.089 0.901 0.685 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -2.613 1.459 2.392 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -3.984 2.544 2.277 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.043 -0.253 3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.336 0.923 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -2.782 1.324 4.866 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.131 2.484 4.806 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.289 0.299 4.314 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.250 1.837 3.419 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.241 0.292 2.536 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.150 1.900 -0.575 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.576 2.637 -1.744 1.00 0.00 C ATOM 1368 C LEU B 5 -1.988 2.055 -3.147 1.00 0.00 C ATOM 1369 O LEU B 5 -1.969 2.799 -4.125 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.025 2.756 -1.598 1.00 0.00 C ATOM 1371 CG LEU B 5 0.619 4.123 -1.988 1.00 0.00 C ATOM 1372 CD1 LEU B 5 2.100 4.175 -1.567 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.513 4.485 -3.482 1.00 0.00 C ATOM 0 H LEU B 5 -1.459 1.373 -0.041 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.016 3.634 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.235 2.542 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.434 1.979 -2.209 1.00 0.00 H new ATOM 0 HG LEU B 5 0.034 4.864 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.525 5.138 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU B 5 2.176 4.048 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.648 3.376 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.988 5.450 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.013 3.721 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.537 4.540 -3.770 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.379 0.766 -3.270 1.00 0.00 N ATOM 1386 CA ALA B 6 -2.967 0.191 -4.505 1.00 0.00 C ATOM 1387 C ALA B 6 -4.399 0.682 -4.830 1.00 0.00 C ATOM 1388 O ALA B 6 -4.664 0.843 -6.014 1.00 0.00 O ATOM 1389 CB ALA B 6 -2.917 -1.345 -4.482 1.00 0.00 C ATOM 0 H ALA B 6 -2.295 0.090 -2.511 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.338 0.565 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.355 -1.737 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.881 -1.674 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.480 -1.715 -3.625 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.303 0.905 -3.849 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.594 1.627 -4.075 1.00 0.00 C ATOM 1397 C LYS B 7 -6.388 3.142 -4.400 1.00 0.00 C ATOM 1398 O LYS B 7 -6.863 3.676 -5.424 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.438 1.533 -2.798 1.00 0.00 C ATOM 1400 CG LYS B 7 -7.835 0.088 -2.447 1.00 0.00 C ATOM 1401 CD LYS B 7 -8.650 -0.017 -1.136 1.00 0.00 C ATOM 1402 CE LYS B 7 -9.000 -1.452 -0.687 1.00 0.00 C ATOM 1403 NZ LYS B 7 -9.986 -2.115 -1.562 1.00 0.00 N ATOM 0 H LYS B 7 -5.169 0.597 -2.886 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.083 1.159 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.879 1.963 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -8.340 2.133 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.420 -0.331 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -6.934 -0.518 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -8.087 0.468 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.577 0.543 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -8.089 -2.049 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -9.390 -1.422 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -10.177 -3.073 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -10.869 -1.566 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -9.608 -2.174 -2.529 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.600 3.798 -3.512 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.057 5.158 -3.740 1.00 0.00 C ATOM 1419 C GLY B 8 -4.453 5.436 -5.138 1.00 0.00 C ATOM 1420 O GLY B 8 -4.677 6.534 -5.649 1.00 0.00 O ATOM 0 H GLY B 8 -5.323 3.397 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.856 5.878 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.287 5.348 -2.992 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.708 4.473 -5.737 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.321 4.543 -7.171 1.00 0.00 C ATOM 1426 C LEU B 9 -4.265 3.789 -8.174 1.00 0.00 C ATOM 1427 O LEU B 9 -4.124 4.029 -9.375 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.819 4.253 -7.404 1.00 0.00 C ATOM 1429 CG LEU B 9 -0.992 5.405 -8.075 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.169 4.915 -9.271 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.657 6.626 -8.744 1.00 0.00 C ATOM 0 H LEU B 9 -3.364 3.643 -5.253 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.481 5.590 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.362 4.017 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.734 3.362 -8.026 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.499 5.713 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.384 5.751 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.531 4.147 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.836 4.497 -10.025 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.887 7.289 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.298 6.290 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.256 7.163 -8.008 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.240 2.961 -7.735 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.398 2.455 -8.568 1.00 0.00 C ATOM 1445 C LEU B 10 -7.279 3.629 -9.136 1.00 0.00 C ATOM 1446 O LEU B 10 -7.997 3.423 -10.119 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.260 1.392 -7.828 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.307 0.589 -8.657 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -7.672 -0.269 -9.774 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.160 -0.304 -7.734 1.00 0.00 C ATOM 0 H LEU B 10 -5.261 2.609 -6.778 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.951 1.946 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.581 0.676 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.790 1.896 -7.020 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.941 1.330 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.455 -0.802 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.131 0.377 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -6.981 -0.988 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -9.885 -0.857 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -8.513 -1.006 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -9.686 0.318 -7.010 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.156 4.843 -8.537 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.548 6.178 -9.112 1.00 0.00 C ATOM 1464 C ILE B 11 -7.383 6.425 -10.669 1.00 0.00 C ATOM 1465 O ILE B 11 -7.811 7.475 -11.154 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.577 7.208 -8.373 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.980 8.710 -8.437 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.069 7.096 -8.816 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.360 9.052 -7.853 1.00 0.00 C ATOM 0 H ILE B 11 -6.765 4.933 -7.599 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.623 6.273 -8.960 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.695 6.881 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.226 9.293 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.957 9.030 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.474 7.828 -8.270 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.700 6.094 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.989 7.289 -9.886 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.540 10.123 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.131 8.505 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.389 8.772 -6.800 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.661 5.528 -11.377 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.184 5.679 -12.786 1.00 0.00 C ATOM 1483 C ARG B 12 -7.032 6.500 -13.814 1.00 0.00 C ATOM 1484 O ARG B 12 -6.483 7.349 -14.519 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.891 4.260 -13.337 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.042 3.220 -13.235 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.089 2.136 -14.335 1.00 0.00 C ATOM 1488 NE ARG B 12 -7.637 2.593 -15.643 1.00 0.00 N ATOM 1489 CZ ARG B 12 -6.898 2.944 -16.718 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -5.570 3.008 -16.728 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -7.530 3.247 -17.834 1.00 0.00 N ATOM 0 H ARG B 12 -6.378 4.636 -10.971 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.308 6.321 -12.695 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.609 4.354 -14.386 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.025 3.862 -12.808 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -6.968 2.722 -12.268 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.990 3.758 -13.245 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.080 1.756 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.692 1.301 -13.977 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.652 2.645 -15.734 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -5.042 2.783 -15.885 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -5.079 3.282 -17.579 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -8.549 3.213 -17.869 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -7.000 3.516 -18.663 1.00 0.00 H new