USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=4 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 Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.621) 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 X(o=0,f=-0.38) 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=-0.32) USER MOD Single : A 145 MET CE :methyl -178:sc= 0 (180deg=-0.00495) 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) USER MOD Single : A 166 MET CE :methyl 180:sc= 0 (180deg=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 Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.484 -2.261 -15.755 1.00 0.00 N ATOM 200 CA ILE A 106 -4.591 -2.356 -14.549 1.00 0.00 C ATOM 201 C ILE A 106 -3.063 -2.188 -14.873 1.00 0.00 C ATOM 202 O ILE A 106 -2.377 -1.510 -14.101 1.00 0.00 O ATOM 203 CB ILE A 106 -4.848 -3.621 -13.646 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.811 -4.980 -14.404 1.00 0.00 C ATOM 205 CG2 ILE A 106 -6.130 -3.462 -12.790 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.845 -6.255 -13.545 1.00 0.00 C ATOM 0 HA ILE A 106 -4.886 -1.491 -13.954 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.995 -3.664 -12.969 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.658 -5.010 -15.089 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.907 -5.005 -15.013 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.274 -4.354 -12.181 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.029 -2.592 -12.141 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.991 -3.328 -13.445 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.814 -7.131 -14.193 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.984 -6.267 -12.877 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.761 -6.272 -12.955 1.00 0.00 H new ATOM 218 N LEU A 107 -2.532 -2.734 -15.996 1.00 0.00 N ATOM 219 CA LEU A 107 -1.152 -2.405 -16.466 1.00 0.00 C ATOM 220 C LEU A 107 -0.955 -0.913 -16.891 1.00 0.00 C ATOM 221 O LEU A 107 0.115 -0.367 -16.630 1.00 0.00 O ATOM 222 CB LEU A 107 -0.660 -3.363 -17.581 1.00 0.00 C ATOM 223 CG LEU A 107 0.896 -3.424 -17.663 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.486 -4.512 -16.747 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.398 -3.548 -19.105 1.00 0.00 C ATOM 0 H LEU A 107 -3.028 -3.398 -16.591 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.527 -2.556 -15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.052 -4.363 -17.397 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.060 -3.036 -18.541 1.00 0.00 H new ATOM 0 HG LEU A 107 1.262 -2.468 -17.288 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.572 -4.515 -16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.210 -4.306 -15.713 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.094 -5.486 -17.040 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.487 -3.587 -19.109 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.001 -4.460 -19.551 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.064 -2.686 -19.682 1.00 0.00 H new ATOM 237 N LYS A 108 -1.958 -0.261 -17.514 1.00 0.00 N ATOM 238 CA LYS A 108 -1.968 1.213 -17.732 1.00 0.00 C ATOM 239 C LYS A 108 -1.915 2.072 -16.425 1.00 0.00 C ATOM 240 O LYS A 108 -1.309 3.144 -16.447 1.00 0.00 O ATOM 241 CB LYS A 108 -3.205 1.493 -18.612 1.00 0.00 C ATOM 242 CG LYS A 108 -3.408 2.947 -19.098 1.00 0.00 C ATOM 243 CD LYS A 108 -4.753 3.208 -19.813 1.00 0.00 C ATOM 244 CE LYS A 108 -6.010 3.166 -18.919 1.00 0.00 C ATOM 245 NZ LYS A 108 -7.230 3.426 -19.703 1.00 0.00 N ATOM 0 H LYS A 108 -2.784 -0.733 -17.882 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.050 1.526 -18.229 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.150 0.848 -19.489 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.092 1.196 -18.053 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.332 3.616 -18.241 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.595 3.205 -19.777 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.704 4.186 -20.292 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.870 2.470 -20.606 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.085 2.191 -18.438 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.920 3.907 -18.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.059 3.392 -19.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.167 4.367 -20.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.326 2.704 -20.445 1.00 0.00 H new ATOM 259 N ALA A 109 -2.502 1.597 -15.307 1.00 0.00 N ATOM 260 CA ALA A 109 -2.308 2.183 -13.953 1.00 0.00 C ATOM 261 C ALA A 109 -0.850 2.023 -13.377 1.00 0.00 C ATOM 262 O ALA A 109 -0.264 2.983 -12.854 1.00 0.00 O ATOM 263 CB ALA A 109 -3.405 1.573 -13.072 1.00 0.00 C ATOM 0 H ALA A 109 -3.128 0.792 -15.312 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.405 3.268 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.318 1.965 -12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.383 1.831 -13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.295 0.489 -13.053 1.00 0.00 H new ATOM 269 N PHE A 110 -0.223 0.827 -13.490 1.00 0.00 N ATOM 270 CA PHE A 110 1.248 0.661 -13.261 1.00 0.00 C ATOM 271 C PHE A 110 2.076 1.578 -14.260 1.00 0.00 C ATOM 272 O PHE A 110 3.124 2.073 -13.857 1.00 0.00 O ATOM 273 CB PHE A 110 1.542 -0.859 -13.284 1.00 0.00 C ATOM 274 CG PHE A 110 3.019 -1.295 -13.190 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.844 -1.239 -14.317 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.578 -1.631 -11.957 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.228 -1.368 -14.186 1.00 0.00 C ATOM 278 CE2 PHE A 110 4.966 -1.712 -11.816 1.00 0.00 C ATOM 279 CZ PHE A 110 5.791 -1.577 -12.929 1.00 0.00 C ATOM 0 H PHE A 110 -0.703 -0.038 -13.737 1.00 0.00 H new ATOM 0 HA PHE A 110 1.579 1.020 -12.287 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.001 -1.320 -12.458 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.127 -1.269 -14.205 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.408 -1.095 -15.295 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.937 -1.829 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.862 -1.306 -15.058 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.400 -1.880 -10.841 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.864 -1.634 -12.818 1.00 0.00 H new ATOM 289 N LYS A 111 1.608 1.838 -15.513 1.00 0.00 N ATOM 290 CA LYS A 111 2.132 2.921 -16.397 1.00 0.00 C ATOM 291 C LYS A 111 1.918 4.368 -15.838 1.00 0.00 C ATOM 292 O LYS A 111 2.741 5.236 -16.137 1.00 0.00 O ATOM 293 CB LYS A 111 1.461 2.856 -17.771 1.00 0.00 C ATOM 294 CG LYS A 111 1.853 1.585 -18.539 1.00 0.00 C ATOM 295 CD LYS A 111 1.212 1.423 -19.938 1.00 0.00 C ATOM 296 CE LYS A 111 1.827 2.236 -21.100 1.00 0.00 C ATOM 297 NZ LYS A 111 1.453 3.663 -21.093 1.00 0.00 N ATOM 0 H LYS A 111 0.854 1.301 -15.941 1.00 0.00 H new ATOM 0 HA LYS A 111 3.205 2.740 -16.456 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.378 2.887 -17.648 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.741 3.733 -18.354 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.937 1.571 -18.652 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.584 0.719 -17.934 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.252 0.367 -20.207 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.159 1.692 -19.859 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.913 2.155 -21.053 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.515 1.793 -22.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.537 4.049 -22.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.471 3.763 -20.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.087 4.185 -20.455 1.00 0.00 H new ATOM 311 N LEU A 112 0.848 4.644 -15.040 1.00 0.00 N ATOM 312 CA LEU A 112 0.727 5.899 -14.216 1.00 0.00 C ATOM 313 C LEU A 112 1.955 6.013 -13.251 1.00 0.00 C ATOM 314 O LEU A 112 2.522 7.108 -13.186 1.00 0.00 O ATOM 315 CB LEU A 112 -0.640 6.091 -13.471 1.00 0.00 C ATOM 316 CG LEU A 112 -1.884 6.289 -14.383 1.00 0.00 C ATOM 317 CD1 LEU A 112 -3.180 6.203 -13.555 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.862 7.617 -15.170 1.00 0.00 C ATOM 0 H LEU A 112 0.050 4.016 -14.945 1.00 0.00 H new ATOM 0 HA LEU A 112 0.736 6.728 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.812 5.221 -12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.555 6.955 -12.811 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.852 5.482 -15.115 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.040 6.344 -14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.243 5.225 -13.078 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.175 6.980 -12.790 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.759 7.690 -15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.832 8.453 -14.472 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.980 7.646 -15.809 1.00 0.00 H new ATOM 330 N PHE A 113 2.420 4.922 -12.575 1.00 0.00 N ATOM 331 CA PHE A 113 3.771 4.940 -11.923 1.00 0.00 C ATOM 332 C PHE A 113 4.923 5.210 -12.986 1.00 0.00 C ATOM 333 O PHE A 113 5.721 6.130 -12.813 1.00 0.00 O ATOM 334 CB PHE A 113 4.212 3.628 -11.199 1.00 0.00 C ATOM 335 CG PHE A 113 3.473 2.777 -10.144 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.358 3.199 -8.811 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.446 1.398 -10.417 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.259 2.246 -7.786 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.418 0.468 -9.385 1.00 0.00 C ATOM 340 CZ PHE A 113 3.273 0.894 -8.090 1.00 0.00 C ATOM 0 H PHE A 113 1.904 4.049 -12.467 1.00 0.00 H new ATOM 0 HA PHE A 113 3.648 5.730 -11.182 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.432 2.931 -12.007 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.162 3.881 -10.729 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.346 4.253 -8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.447 1.057 -11.442 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.172 2.567 -6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.510 -0.586 -9.602 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.168 0.168 -7.298 1.00 0.00 H new ATOM 350 N ASP A 114 4.986 4.397 -14.067 1.00 0.00 N ATOM 351 CA ASP A 114 6.113 4.332 -15.030 1.00 0.00 C ATOM 352 C ASP A 114 5.996 5.414 -16.144 1.00 0.00 C ATOM 353 O ASP A 114 5.452 5.177 -17.228 1.00 0.00 O ATOM 354 CB ASP A 114 6.083 2.863 -15.540 1.00 0.00 C ATOM 355 CG ASP A 114 7.265 2.363 -16.370 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.424 2.777 -16.139 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.026 1.512 -17.253 1.00 0.00 O ATOM 0 H ASP A 114 4.233 3.750 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 114 7.080 4.565 -14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.986 2.211 -14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.180 2.736 -16.137 1.00 0.00 H new ATOM 422 N LYS A 120 10.305 -1.032 -14.601 1.00 0.00 N ATOM 423 CA LYS A 120 10.560 -0.996 -13.141 1.00 0.00 C ATOM 424 C LYS A 120 10.359 0.438 -12.585 1.00 0.00 C ATOM 425 O LYS A 120 10.561 1.433 -13.292 1.00 0.00 O ATOM 426 CB LYS A 120 12.019 -1.397 -12.904 1.00 0.00 C ATOM 427 CG LYS A 120 12.271 -2.908 -13.085 1.00 0.00 C ATOM 428 CD LYS A 120 12.337 -3.693 -11.756 1.00 0.00 C ATOM 429 CE LYS A 120 12.628 -5.201 -11.871 1.00 0.00 C ATOM 430 NZ LYS A 120 14.013 -5.496 -12.288 1.00 0.00 N ATOM 0 HA LYS A 120 9.869 -1.674 -12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.658 -0.844 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.310 -1.105 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.478 -3.327 -13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.207 -3.049 -13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.107 -3.242 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.388 -3.566 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.436 -5.676 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.937 -5.644 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.146 -6.526 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.193 -5.070 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.677 -5.101 -11.592 1.00 0.00 H new ATOM 444 N ILE A 121 9.955 0.535 -11.301 1.00 0.00 N ATOM 445 CA ILE A 121 9.493 1.830 -10.685 1.00 0.00 C ATOM 446 C ILE A 121 10.113 2.108 -9.270 1.00 0.00 C ATOM 447 O ILE A 121 10.827 1.278 -8.698 1.00 0.00 O ATOM 448 CB ILE A 121 7.919 1.972 -10.743 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.048 1.015 -9.880 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.433 1.947 -12.216 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.879 1.456 -8.422 1.00 0.00 C ATOM 0 H ILE A 121 9.934 -0.257 -10.659 1.00 0.00 H new ATOM 0 HA ILE A 121 9.891 2.634 -11.304 1.00 0.00 H new ATOM 0 HB ILE A 121 7.756 2.937 -10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.062 0.928 -10.337 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.496 0.021 -9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.348 2.045 -12.243 1.00 0.00 H new ATOM 0 HG22 ILE A 121 7.886 2.774 -12.763 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.723 1.004 -12.679 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.259 0.733 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.857 1.514 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.401 2.435 -8.391 1.00 0.00 H new ATOM 463 N SER A 122 9.864 3.333 -8.746 1.00 0.00 N ATOM 464 CA SER A 122 10.531 3.875 -7.525 1.00 0.00 C ATOM 465 C SER A 122 9.549 4.565 -6.521 1.00 0.00 C ATOM 466 O SER A 122 8.424 4.929 -6.868 1.00 0.00 O ATOM 467 CB SER A 122 11.682 4.829 -7.937 1.00 0.00 C ATOM 468 OG SER A 122 12.693 4.145 -8.673 1.00 0.00 O ATOM 0 H SER A 122 9.192 3.981 -9.157 1.00 0.00 H new ATOM 0 HA SER A 122 10.939 3.023 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.281 5.644 -8.539 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.121 5.277 -7.045 1.00 0.00 H new ATOM 0 HG SER A 122 13.402 4.775 -8.918 1.00 0.00 H new ATOM 474 N PHE A 123 10.041 4.755 -5.271 1.00 0.00 N ATOM 475 CA PHE A 123 9.396 5.517 -4.145 1.00 0.00 C ATOM 476 C PHE A 123 8.483 6.740 -4.503 1.00 0.00 C ATOM 477 O PHE A 123 7.316 6.819 -4.092 1.00 0.00 O ATOM 478 CB PHE A 123 10.575 5.891 -3.181 1.00 0.00 C ATOM 479 CG PHE A 123 10.287 6.844 -2.000 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.658 6.388 -0.838 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.598 8.206 -2.121 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.320 7.288 0.172 1.00 0.00 C ATOM 483 CE2 PHE A 123 10.252 9.102 -1.114 1.00 0.00 C ATOM 484 CZ PHE A 123 9.613 8.641 0.034 1.00 0.00 C ATOM 0 H PHE A 123 10.943 4.366 -4.996 1.00 0.00 H new ATOM 0 HA PHE A 123 8.644 4.873 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.973 4.964 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.366 6.338 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.434 5.338 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 123 11.110 8.562 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.828 6.933 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.479 10.152 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.345 9.334 0.818 1.00 0.00 H new ATOM 494 N LYS A 124 9.072 7.696 -5.239 1.00 0.00 N ATOM 495 CA LYS A 124 8.353 8.937 -5.655 1.00 0.00 C ATOM 496 C LYS A 124 7.209 8.719 -6.665 1.00 0.00 C ATOM 497 O LYS A 124 6.173 9.371 -6.533 1.00 0.00 O ATOM 498 CB LYS A 124 9.243 10.050 -6.231 1.00 0.00 C ATOM 499 CG LYS A 124 10.149 10.653 -5.153 1.00 0.00 C ATOM 500 CD LYS A 124 10.891 11.922 -5.611 1.00 0.00 C ATOM 501 CE LYS A 124 11.852 12.425 -4.522 1.00 0.00 C ATOM 502 NZ LYS A 124 12.548 13.659 -4.931 1.00 0.00 N ATOM 0 H LYS A 124 10.038 7.645 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 124 7.946 9.254 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.854 9.648 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.618 10.832 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.547 10.891 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.880 9.906 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.449 11.711 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.169 12.702 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.295 12.610 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.586 11.651 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.187 13.966 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.100 13.477 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.849 14.406 -5.119 1.00 0.00 H new ATOM 516 N ASN A 125 7.354 7.794 -7.635 1.00 0.00 N ATOM 517 CA ASN A 125 6.229 7.387 -8.535 1.00 0.00 C ATOM 518 C ASN A 125 4.953 6.890 -7.753 1.00 0.00 C ATOM 519 O ASN A 125 3.861 7.427 -8.033 1.00 0.00 O ATOM 520 CB ASN A 125 6.749 6.374 -9.620 1.00 0.00 C ATOM 521 CG ASN A 125 7.854 6.887 -10.576 1.00 0.00 C ATOM 522 OD1 ASN A 125 8.930 6.296 -10.674 1.00 0.00 O ATOM 523 ND2 ASN A 125 7.631 7.978 -11.295 1.00 0.00 N ATOM 0 H ASN A 125 8.232 7.310 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 125 5.877 8.274 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.126 5.490 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.899 6.054 -10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.350 8.327 -11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.740 8.468 -11.215 1.00 0.00 H new ATOM 530 N LEU A 126 5.140 6.001 -6.716 1.00 0.00 N ATOM 531 CA LEU A 126 4.093 5.617 -5.703 1.00 0.00 C ATOM 532 C LEU A 126 3.386 6.896 -5.159 1.00 0.00 C ATOM 533 O LEU A 126 2.239 7.156 -5.531 1.00 0.00 O ATOM 534 CB LEU A 126 4.588 4.802 -4.441 1.00 0.00 C ATOM 535 CG LEU A 126 5.097 3.343 -4.509 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.373 3.158 -5.330 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.336 2.795 -3.083 1.00 0.00 C ATOM 0 H LEU A 126 6.030 5.528 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 126 3.436 4.954 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.393 5.387 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.761 4.805 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 126 4.311 2.786 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.660 2.106 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.196 3.481 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.175 3.755 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.694 1.767 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.081 3.410 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.402 2.821 -2.522 1.00 0.00 H new ATOM 549 N LYS A 127 4.128 7.722 -4.386 1.00 0.00 N ATOM 550 CA LYS A 127 3.629 9.007 -3.861 1.00 0.00 C ATOM 551 C LYS A 127 3.168 10.104 -4.860 1.00 0.00 C ATOM 552 O LYS A 127 2.574 11.083 -4.415 1.00 0.00 O ATOM 553 CB LYS A 127 4.827 9.611 -3.128 1.00 0.00 C ATOM 554 CG LYS A 127 4.398 10.646 -2.056 1.00 0.00 C ATOM 555 CD LYS A 127 5.596 11.348 -1.379 1.00 0.00 C ATOM 556 CE LYS A 127 5.178 12.316 -0.254 1.00 0.00 C ATOM 557 NZ LYS A 127 6.348 12.978 0.352 1.00 0.00 N ATOM 0 H LYS A 127 5.088 7.514 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 127 2.731 8.757 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.399 8.814 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.488 10.091 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.759 11.397 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.800 10.145 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.267 10.593 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.159 11.899 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.499 13.069 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.630 11.769 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.031 13.622 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.983 12.260 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.856 13.520 -0.376 1.00 0.00 H new ATOM 571 N ARG A 128 3.523 10.027 -6.153 1.00 0.00 N ATOM 572 CA ARG A 128 3.367 11.158 -7.106 1.00 0.00 C ATOM 573 C ARG A 128 1.992 11.119 -7.744 1.00 0.00 C ATOM 574 O ARG A 128 1.170 12.011 -7.516 1.00 0.00 O ATOM 575 CB ARG A 128 4.457 11.114 -8.193 1.00 0.00 C ATOM 576 CG ARG A 128 5.815 11.681 -7.728 1.00 0.00 C ATOM 577 CD ARG A 128 5.927 13.223 -7.643 1.00 0.00 C ATOM 578 NE ARG A 128 5.922 13.906 -8.966 1.00 0.00 N ATOM 579 CZ ARG A 128 5.957 15.242 -9.135 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.004 16.118 -8.133 1.00 0.00 N ATOM 581 NH2 ARG A 128 5.942 15.712 -10.369 1.00 0.00 N ATOM 0 H ARG A 128 3.924 9.189 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 128 3.475 12.090 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.595 10.082 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.116 11.677 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.038 11.268 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.586 11.320 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.099 13.604 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.845 13.481 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 128 5.890 13.322 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 128 6.015 15.789 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.029 17.118 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.905 15.068 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.968 16.719 -10.532 1.00 0.00 H new ATOM 595 N VAL A 129 1.753 10.042 -8.503 1.00 0.00 N ATOM 596 CA VAL A 129 0.385 9.745 -8.987 1.00 0.00 C ATOM 597 C VAL A 129 -0.610 9.375 -7.842 1.00 0.00 C ATOM 598 O VAL A 129 -1.757 9.830 -7.911 1.00 0.00 O ATOM 599 CB VAL A 129 0.452 8.736 -10.160 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.824 9.444 -11.468 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.358 7.494 -10.021 1.00 0.00 C ATOM 0 H VAL A 129 2.465 9.372 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.053 10.659 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.563 8.338 -10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.865 8.715 -12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.074 10.200 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.798 9.921 -11.359 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.291 6.892 -10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.390 7.811 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.034 6.901 -9.166 1.00 0.00 H new ATOM 611 N ALA A 130 -0.215 8.590 -6.804 1.00 0.00 N ATOM 612 CA ALA A 130 -1.081 8.434 -5.582 1.00 0.00 C ATOM 613 C ALA A 130 -1.253 9.750 -4.758 1.00 0.00 C ATOM 614 O ALA A 130 -2.307 9.991 -4.164 1.00 0.00 O ATOM 615 CB ALA A 130 -0.601 7.305 -4.648 1.00 0.00 C ATOM 0 H ALA A 130 0.662 8.069 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.057 8.165 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.264 7.240 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.613 6.357 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.413 7.518 -4.311 1.00 0.00 H new ATOM 621 N LYS A 131 -0.207 10.592 -4.786 1.00 0.00 N ATOM 622 CA LYS A 131 -0.247 11.988 -4.262 1.00 0.00 C ATOM 623 C LYS A 131 -1.215 12.992 -4.952 1.00 0.00 C ATOM 624 O LYS A 131 -1.694 13.896 -4.261 1.00 0.00 O ATOM 625 CB LYS A 131 1.175 12.555 -4.305 1.00 0.00 C ATOM 626 CG LYS A 131 1.312 13.763 -3.362 1.00 0.00 C ATOM 627 CD LYS A 131 2.722 14.398 -3.348 1.00 0.00 C ATOM 628 CE LYS A 131 2.931 15.524 -2.311 1.00 0.00 C ATOM 629 NZ LYS A 131 2.185 16.757 -2.631 1.00 0.00 N ATOM 0 H LYS A 131 0.700 10.332 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.655 11.891 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.888 11.782 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.421 12.854 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.587 14.522 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.056 13.451 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.454 13.613 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.932 14.797 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.623 15.166 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.994 15.757 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.367 17.473 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.495 17.120 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.167 16.548 -2.665 1.00 0.00 H new ATOM 643 N GLU A 132 -1.524 12.848 -6.264 1.00 0.00 N ATOM 644 CA GLU A 132 -2.623 13.615 -6.948 1.00 0.00 C ATOM 645 C GLU A 132 -3.994 13.559 -6.203 1.00 0.00 C ATOM 646 O GLU A 132 -4.617 14.602 -5.983 1.00 0.00 O ATOM 647 CB GLU A 132 -2.867 13.146 -8.409 1.00 0.00 C ATOM 648 CG GLU A 132 -1.675 13.231 -9.393 1.00 0.00 C ATOM 649 CD GLU A 132 -1.908 12.481 -10.714 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.183 11.261 -10.687 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.812 13.113 -11.789 1.00 0.00 O ATOM 0 H GLU A 132 -1.030 12.206 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.254 14.641 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -3.205 12.110 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.686 13.737 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.470 14.279 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.786 12.827 -8.908 1.00 0.00 H new ATOM 658 N LEU A 133 -4.420 12.346 -5.791 1.00 0.00 N ATOM 659 CA LEU A 133 -5.554 12.152 -4.836 1.00 0.00 C ATOM 660 C LEU A 133 -5.294 12.811 -3.440 1.00 0.00 C ATOM 661 O LEU A 133 -6.121 13.597 -2.968 1.00 0.00 O ATOM 662 CB LEU A 133 -5.871 10.621 -4.749 1.00 0.00 C ATOM 663 CG LEU A 133 -6.676 10.073 -3.531 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.101 10.628 -3.380 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.695 8.538 -3.532 1.00 0.00 C ATOM 0 H LEU A 133 -3.996 11.472 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.435 12.673 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.418 10.349 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.921 10.088 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.135 10.440 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.574 10.184 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.059 11.711 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.683 10.384 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.262 8.181 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.162 8.181 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.674 8.161 -3.474 1.00 0.00 H new ATOM 773 N GLU A 141 5.766 5.243 6.472 1.00 0.00 N ATOM 774 CA GLU A 141 4.923 4.087 6.042 1.00 0.00 C ATOM 775 C GLU A 141 5.182 3.630 4.579 1.00 0.00 C ATOM 776 O GLU A 141 5.471 2.455 4.345 1.00 0.00 O ATOM 777 CB GLU A 141 3.420 4.435 6.192 1.00 0.00 C ATOM 778 CG GLU A 141 2.903 4.501 7.648 1.00 0.00 C ATOM 779 CD GLU A 141 1.442 4.960 7.744 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.534 4.101 7.677 1.00 0.00 O ATOM 781 OE2 GLU A 141 1.196 6.178 7.886 1.00 0.00 O ATOM 0 HA GLU A 141 5.203 3.261 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.237 5.397 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.835 3.693 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 141 3.000 3.517 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 141 3.531 5.184 8.220 1.00 0.00 H new ATOM 788 N LEU A 142 5.125 4.574 3.619 1.00 0.00 N ATOM 789 CA LEU A 142 5.454 4.326 2.185 1.00 0.00 C ATOM 790 C LEU A 142 6.959 3.867 1.941 1.00 0.00 C ATOM 791 O LEU A 142 7.198 3.093 1.006 1.00 0.00 O ATOM 792 CB LEU A 142 4.815 5.517 1.385 1.00 0.00 C ATOM 793 CG LEU A 142 5.676 6.572 0.655 1.00 0.00 C ATOM 794 CD1 LEU A 142 6.156 6.028 -0.697 1.00 0.00 C ATOM 795 CD2 LEU A 142 4.883 7.867 0.377 1.00 0.00 C ATOM 0 H LEU A 142 4.849 5.537 3.809 1.00 0.00 H new ATOM 0 HA LEU A 142 5.005 3.427 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.158 5.075 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 142 4.180 6.060 2.085 1.00 0.00 H new ATOM 0 HG LEU A 142 6.519 6.793 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.761 6.783 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.754 5.131 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.294 5.783 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.524 8.583 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.020 7.638 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.544 8.296 1.320 1.00 0.00 H new ATOM 807 N GLN A 143 7.944 4.243 2.804 1.00 0.00 N ATOM 808 CA GLN A 143 9.310 3.625 2.833 1.00 0.00 C ATOM 809 C GLN A 143 9.281 2.137 3.329 1.00 0.00 C ATOM 810 O GLN A 143 9.989 1.305 2.756 1.00 0.00 O ATOM 811 CB GLN A 143 10.317 4.405 3.736 1.00 0.00 C ATOM 812 CG GLN A 143 10.976 5.673 3.154 1.00 0.00 C ATOM 813 CD GLN A 143 11.966 5.476 1.986 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.196 4.379 1.474 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.589 6.556 1.542 1.00 0.00 N ATOM 0 H GLN A 143 7.819 4.980 3.498 1.00 0.00 H new ATOM 0 HA GLN A 143 9.647 3.669 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.796 4.689 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 143 11.112 3.716 4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.184 6.342 2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.502 6.182 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.399 7.464 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.259 6.480 0.777 1.00 0.00 H new ATOM 824 N GLU A 144 8.488 1.787 4.371 1.00 0.00 N ATOM 825 CA GLU A 144 8.215 0.385 4.767 1.00 0.00 C ATOM 826 C GLU A 144 7.521 -0.479 3.653 1.00 0.00 C ATOM 827 O GLU A 144 7.807 -1.678 3.585 1.00 0.00 O ATOM 828 CB GLU A 144 7.476 0.516 6.127 1.00 0.00 C ATOM 829 CG GLU A 144 6.726 -0.720 6.649 1.00 0.00 C ATOM 830 CD GLU A 144 6.129 -0.537 8.050 1.00 0.00 C ATOM 831 OE1 GLU A 144 4.967 -0.086 8.160 1.00 0.00 O ATOM 832 OE2 GLU A 144 6.820 -0.844 9.046 1.00 0.00 O ATOM 0 H GLU A 144 8.018 2.473 4.962 1.00 0.00 H new ATOM 0 HA GLU A 144 9.121 -0.208 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.207 0.809 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.760 1.334 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 144 5.925 -0.968 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 144 7.410 -1.569 6.664 1.00 0.00 H new ATOM 839 N MET A 145 6.670 0.106 2.773 1.00 0.00 N ATOM 840 CA MET A 145 6.178 -0.576 1.544 1.00 0.00 C ATOM 841 C MET A 145 7.343 -0.902 0.560 1.00 0.00 C ATOM 842 O MET A 145 7.519 -2.074 0.224 1.00 0.00 O ATOM 843 CB MET A 145 5.067 0.265 0.849 1.00 0.00 C ATOM 844 CG MET A 145 3.657 0.124 1.441 1.00 0.00 C ATOM 845 SD MET A 145 3.462 1.084 2.953 1.00 0.00 S ATOM 846 CE MET A 145 2.303 2.376 2.451 1.00 0.00 C ATOM 0 H MET A 145 6.308 1.052 2.891 1.00 0.00 H new ATOM 0 HA MET A 145 5.740 -1.527 1.848 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.354 1.316 0.888 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.029 -0.016 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.921 0.451 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.455 -0.927 1.650 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.130 3.054 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.720 2.933 1.612 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.359 1.921 2.151 1.00 0.00 H new ATOM 856 N ILE A 146 8.147 0.094 0.134 1.00 0.00 N ATOM 857 CA ILE A 146 9.237 -0.121 -0.874 1.00 0.00 C ATOM 858 C ILE A 146 10.375 -1.115 -0.448 1.00 0.00 C ATOM 859 O ILE A 146 10.849 -1.893 -1.279 1.00 0.00 O ATOM 860 CB ILE A 146 9.753 1.272 -1.412 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.263 1.205 -2.894 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.845 1.953 -0.553 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.146 1.087 -3.929 1.00 0.00 C ATOM 0 H ILE A 146 8.072 1.056 0.464 1.00 0.00 H new ATOM 0 HA ILE A 146 8.788 -0.662 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 146 8.856 1.889 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.849 2.099 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 146 10.933 0.352 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.129 2.901 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.458 2.135 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.718 1.304 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.579 1.046 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.573 0.178 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.488 1.952 -3.854 1.00 0.00 H new ATOM 875 N ASP A 147 10.765 -1.099 0.838 1.00 0.00 N ATOM 876 CA ASP A 147 11.647 -2.132 1.451 1.00 0.00 C ATOM 877 C ASP A 147 10.963 -3.533 1.605 1.00 0.00 C ATOM 878 O ASP A 147 11.647 -4.541 1.414 1.00 0.00 O ATOM 879 CB ASP A 147 12.222 -1.640 2.807 1.00 0.00 C ATOM 880 CG ASP A 147 13.195 -0.452 2.719 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.344 -0.645 2.262 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.817 0.675 3.109 1.00 0.00 O ATOM 0 H ASP A 147 10.481 -0.370 1.492 1.00 0.00 H new ATOM 0 HA ASP A 147 12.470 -2.277 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.391 -1.360 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.735 -2.473 3.288 1.00 0.00 H new ATOM 887 N GLU A 148 9.644 -3.615 1.902 1.00 0.00 N ATOM 888 CA GLU A 148 8.844 -4.863 1.860 1.00 0.00 C ATOM 889 C GLU A 148 8.858 -5.628 0.496 1.00 0.00 C ATOM 890 O GLU A 148 9.194 -6.815 0.482 1.00 0.00 O ATOM 891 CB GLU A 148 7.422 -4.435 2.311 1.00 0.00 C ATOM 892 CG GLU A 148 6.502 -5.551 2.829 1.00 0.00 C ATOM 893 CD GLU A 148 5.837 -6.420 1.752 1.00 0.00 C ATOM 894 OE1 GLU A 148 4.876 -5.951 1.104 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.274 -7.574 1.552 1.00 0.00 O ATOM 0 H GLU A 148 9.096 -2.801 2.182 1.00 0.00 H new ATOM 0 HA GLU A 148 9.283 -5.612 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.524 -3.685 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.929 -3.950 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 148 7.082 -6.199 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.720 -5.098 3.438 1.00 0.00 H new ATOM 902 N ALA A 149 8.506 -4.959 -0.625 1.00 0.00 N ATOM 903 CA ALA A 149 8.546 -5.576 -1.980 1.00 0.00 C ATOM 904 C ALA A 149 9.973 -5.832 -2.542 1.00 0.00 C ATOM 905 O ALA A 149 10.233 -6.938 -3.028 1.00 0.00 O ATOM 906 CB ALA A 149 7.711 -4.738 -2.962 1.00 0.00 C ATOM 0 H ALA A 149 8.190 -3.989 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 149 8.111 -6.569 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.745 -5.195 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.678 -4.696 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.117 -3.728 -3.015 1.00 0.00 H new ATOM 1001 N VAL A 157 10.743 -1.926 -8.399 1.00 0.00 N ATOM 1002 CA VAL A 157 9.459 -2.680 -8.271 1.00 0.00 C ATOM 1003 C VAL A 157 8.919 -3.068 -9.689 1.00 0.00 C ATOM 1004 O VAL A 157 9.258 -2.477 -10.718 1.00 0.00 O ATOM 1005 CB VAL A 157 8.473 -1.776 -7.443 1.00 0.00 C ATOM 1006 CG1 VAL A 157 6.957 -1.980 -7.647 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.726 -1.872 -5.927 1.00 0.00 C ATOM 0 HA VAL A 157 9.587 -3.625 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 157 8.716 -0.798 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.408 -1.287 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.702 -1.794 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.689 -3.004 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.021 -1.230 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.593 -2.903 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.744 -1.550 -5.707 1.00 0.00 H new ATOM 1017 N SER A 158 8.112 -4.140 -9.701 1.00 0.00 N ATOM 1018 CA SER A 158 7.630 -4.813 -10.929 1.00 0.00 C ATOM 1019 C SER A 158 6.077 -4.754 -11.010 1.00 0.00 C ATOM 1020 O SER A 158 5.379 -4.392 -10.057 1.00 0.00 O ATOM 1021 CB SER A 158 8.173 -6.268 -10.970 1.00 0.00 C ATOM 1022 OG SER A 158 9.596 -6.306 -10.920 1.00 0.00 O ATOM 0 H SER A 158 7.767 -4.575 -8.845 1.00 0.00 H new ATOM 0 HA SER A 158 8.008 -4.292 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.765 -6.831 -10.131 1.00 0.00 H new ATOM 0 HB3 SER A 158 7.829 -6.758 -11.880 1.00 0.00 H new ATOM 0 HG SER A 158 9.899 -7.237 -10.946 1.00 0.00 H new ATOM 1028 N GLU A 159 5.555 -5.124 -12.196 1.00 0.00 N ATOM 1029 CA GLU A 159 4.080 -5.217 -12.492 1.00 0.00 C ATOM 1030 C GLU A 159 3.187 -5.906 -11.409 1.00 0.00 C ATOM 1031 O GLU A 159 2.124 -5.392 -11.044 1.00 0.00 O ATOM 1032 CB GLU A 159 3.797 -5.825 -13.893 1.00 0.00 C ATOM 1033 CG GLU A 159 4.407 -7.178 -14.331 1.00 0.00 C ATOM 1034 CD GLU A 159 3.872 -7.635 -15.695 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.461 -7.261 -16.733 1.00 0.00 O ATOM 1036 OE2 GLU A 159 2.857 -8.365 -15.733 1.00 0.00 O ATOM 0 H GLU A 159 6.138 -5.373 -12.995 1.00 0.00 H new ATOM 0 HA GLU A 159 3.774 -4.171 -12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.715 -5.923 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.112 -5.084 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.492 -7.088 -14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.183 -7.937 -13.581 1.00 0.00 H new ATOM 1043 N GLN A 160 3.697 -7.017 -10.860 1.00 0.00 N ATOM 1044 CA GLN A 160 3.131 -7.733 -9.685 1.00 0.00 C ATOM 1045 C GLN A 160 2.829 -6.923 -8.385 1.00 0.00 C ATOM 1046 O GLN A 160 2.029 -7.417 -7.589 1.00 0.00 O ATOM 1047 CB GLN A 160 4.083 -8.905 -9.317 1.00 0.00 C ATOM 1048 CG GLN A 160 4.145 -10.062 -10.345 1.00 0.00 C ATOM 1049 CD GLN A 160 5.021 -11.245 -9.891 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.183 -11.085 -9.517 1.00 0.00 O ATOM 1051 NE2 GLN A 160 4.494 -12.459 -9.938 1.00 0.00 N ATOM 0 H GLN A 160 4.539 -7.463 -11.224 1.00 0.00 H new ATOM 0 HA GLN A 160 2.143 -8.037 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.088 -8.505 -9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.773 -9.313 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.134 -10.422 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.530 -9.677 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 160 3.531 -12.585 -10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.051 -13.268 -9.663 1.00 0.00 H new ATOM 1060 N GLU A 161 3.393 -5.725 -8.140 1.00 0.00 N ATOM 1061 CA GLU A 161 3.091 -4.946 -6.914 1.00 0.00 C ATOM 1062 C GLU A 161 1.800 -4.095 -6.967 1.00 0.00 C ATOM 1063 O GLU A 161 0.916 -4.349 -6.145 1.00 0.00 O ATOM 1064 CB GLU A 161 4.325 -4.120 -6.533 1.00 0.00 C ATOM 1065 CG GLU A 161 5.474 -4.914 -5.877 1.00 0.00 C ATOM 1066 CD GLU A 161 6.254 -5.960 -6.690 1.00 0.00 C ATOM 1067 OE1 GLU A 161 5.803 -7.124 -6.769 1.00 0.00 O ATOM 1068 OE2 GLU A 161 7.339 -5.636 -7.215 1.00 0.00 O ATOM 0 H GLU A 161 4.057 -5.273 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 161 2.868 -5.669 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.708 -3.634 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.016 -3.329 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.197 -4.188 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.059 -5.424 -5.008 1.00 0.00 H new ATOM 1075 N PHE A 162 1.622 -3.137 -7.905 1.00 0.00 N ATOM 1076 CA PHE A 162 0.263 -2.483 -8.073 1.00 0.00 C ATOM 1077 C PHE A 162 -0.792 -3.532 -8.533 1.00 0.00 C ATOM 1078 O PHE A 162 -1.830 -3.633 -7.874 1.00 0.00 O ATOM 1079 CB PHE A 162 0.244 -1.189 -8.948 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.929 -0.142 -8.939 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.173 -0.326 -8.293 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.792 1.005 -9.752 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.273 0.456 -8.622 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.892 1.787 -10.062 1.00 0.00 C ATOM 1085 CZ PHE A 162 -3.134 1.478 -9.547 1.00 0.00 C ATOM 0 H PHE A 162 2.348 -2.799 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 162 -0.010 -2.116 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.148 -0.636 -8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.351 -1.518 -9.982 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.270 -1.086 -7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.181 1.275 -10.136 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.231 0.268 -8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.777 2.643 -10.710 1.00 0.00 H new ATOM 0 HZ PHE A 162 -4.002 2.035 -9.866 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.507 -4.364 -9.562 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.491 -5.384 -10.034 1.00 0.00 C ATOM 1097 C LEU A 163 -1.732 -6.571 -9.057 1.00 0.00 C ATOM 1098 O LEU A 163 -2.890 -6.916 -8.806 1.00 0.00 O ATOM 1099 CB LEU A 163 -1.118 -5.946 -11.438 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.193 -5.038 -12.695 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.333 -3.763 -12.674 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.850 -5.859 -13.954 1.00 0.00 C ATOM 0 H LEU A 163 0.374 -4.356 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.427 -4.829 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -0.097 -6.322 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.763 -6.805 -11.623 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.223 -4.680 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.472 -3.215 -13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.634 -3.135 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.717 -4.034 -12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.904 -5.217 -14.833 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.158 -6.263 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.561 -6.678 -14.059 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.663 -7.201 -8.549 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.766 -8.374 -7.653 1.00 0.00 C ATOM 1116 C ARG A 164 -1.115 -8.079 -6.179 1.00 0.00 C ATOM 1117 O ARG A 164 -1.847 -8.885 -5.596 1.00 0.00 O ATOM 1118 CB ARG A 164 0.588 -9.078 -7.735 1.00 0.00 C ATOM 1119 CG ARG A 164 0.537 -10.507 -7.170 1.00 0.00 C ATOM 1120 CD ARG A 164 1.907 -11.201 -7.258 1.00 0.00 C ATOM 1121 NE ARG A 164 1.852 -12.608 -6.788 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.925 -13.338 -6.424 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.175 -12.878 -6.421 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.726 -14.588 -6.046 1.00 0.00 N ATOM 0 H ARG A 164 0.297 -6.917 -8.744 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.607 -8.977 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 164 0.915 -9.112 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.330 -8.499 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.210 -10.476 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -0.202 -11.090 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.259 -11.177 -8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.632 -10.648 -6.661 1.00 0.00 H new ATOM 0 HE ARG A 164 0.936 -13.054 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.366 -11.918 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.942 -13.486 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 164 1.782 -14.974 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.517 -15.168 -5.764 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.637 -6.963 -5.573 1.00 0.00 N ATOM 1139 CA ILE A 165 -1.139 -6.543 -4.228 1.00 0.00 C ATOM 1140 C ILE A 165 -2.614 -5.991 -4.325 1.00 0.00 C ATOM 1141 O ILE A 165 -3.398 -6.335 -3.434 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.197 -5.577 -3.411 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.349 -5.834 -3.376 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.676 -5.540 -1.930 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.843 -7.254 -3.058 1.00 0.00 C ATOM 0 H ILE A 165 0.073 -6.350 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 165 -1.136 -7.457 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.297 -4.648 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.756 -5.550 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.782 -5.158 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.031 -4.875 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.702 -5.176 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.630 -6.544 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 165 2.933 -7.272 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.487 -7.551 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.460 -7.948 -3.806 1.00 0.00 H new ATOM 1157 N MET A 166 -3.031 -5.219 -5.369 1.00 0.00 N ATOM 1158 CA MET A 166 -4.479 -4.881 -5.581 1.00 0.00 C ATOM 1159 C MET A 166 -5.429 -6.122 -5.715 1.00 0.00 C ATOM 1160 O MET A 166 -6.412 -6.204 -4.971 1.00 0.00 O ATOM 1161 CB MET A 166 -4.645 -3.905 -6.782 1.00 0.00 C ATOM 1162 CG MET A 166 -6.036 -3.266 -6.947 1.00 0.00 C ATOM 1163 SD MET A 166 -6.441 -2.259 -5.501 1.00 0.00 S ATOM 1164 CE MET A 166 -8.051 -2.917 -5.024 1.00 0.00 C ATOM 0 H MET A 166 -2.402 -4.823 -6.068 1.00 0.00 H new ATOM 0 HA MET A 166 -4.801 -4.384 -4.666 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.910 -3.106 -6.679 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.404 -4.444 -7.698 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.056 -2.649 -7.845 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.788 -4.044 -7.078 1.00 0.00 H new ATOM 0 HE1 MET A 166 -8.416 -2.385 -4.145 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.755 -2.787 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.956 -3.978 -4.792 1.00 0.00 H new ATOM 1174 N LYS A 167 -5.141 -7.063 -6.636 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.986 -8.265 -6.863 1.00 0.00 C ATOM 1176 C LYS A 167 -5.766 -9.513 -5.957 1.00 0.00 C ATOM 1177 O LYS A 167 -6.296 -10.571 -6.301 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.755 -8.642 -8.329 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.925 -9.452 -8.913 1.00 0.00 C ATOM 1180 CD LYS A 167 -6.774 -9.722 -10.425 1.00 0.00 C ATOM 1181 CE LYS A 167 -7.978 -10.465 -11.034 1.00 0.00 C ATOM 1182 NZ LYS A 167 -7.800 -10.691 -12.479 1.00 0.00 N ATOM 0 H LYS A 167 -4.323 -7.017 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 167 -7.005 -7.982 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -5.614 -7.735 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.836 -9.223 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -7.001 -10.403 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -7.856 -8.914 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -6.640 -8.773 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -5.871 -10.308 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -8.110 -11.422 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -8.887 -9.887 -10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -8.629 -11.193 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -7.699 -9.776 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -6.946 -11.263 -12.638 1.00 0.00 H new ATOM 1301 N TRP B 2 0.898 -1.925 1.209 1.00 0.00 N ATOM 1302 CA TRP B 2 0.700 -1.816 -0.269 1.00 0.00 C ATOM 1303 C TRP B 2 -0.776 -2.019 -0.746 1.00 0.00 C ATOM 1304 O TRP B 2 -1.072 -1.560 -1.845 1.00 0.00 O ATOM 1305 CB TRP B 2 1.587 -2.810 -1.050 1.00 0.00 C ATOM 1306 CG TRP B 2 2.997 -2.354 -1.379 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.127 -2.957 -0.824 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.459 -1.599 -2.455 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.280 -2.628 -1.530 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.865 -1.757 -2.519 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.780 -0.866 -3.462 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.612 -1.151 -3.571 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.533 -0.292 -4.488 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.921 -0.443 -4.555 1.00 0.00 C ATOM 0 HA TRP B 2 0.988 -0.787 -0.485 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.654 -3.732 -0.473 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.082 -3.055 -1.984 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.109 -3.599 0.045 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.229 -2.959 -1.355 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.706 -0.755 -3.436 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.688 -1.238 -3.606 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.030 0.284 -5.250 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.466 -0.006 -5.379 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.671 -2.699 0.007 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.129 -2.724 -0.284 1.00 0.00 C ATOM 1327 C LYS B 3 -3.844 -1.362 -0.028 1.00 0.00 C ATOM 1328 O LYS B 3 -4.640 -0.932 -0.867 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.733 -3.808 0.609 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.183 -4.132 0.216 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.796 -5.259 1.072 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.237 -5.615 0.660 1.00 0.00 C ATOM 1333 NZ LYS B 3 -7.787 -6.693 1.501 1.00 0.00 N ATOM 0 H LYS B 3 -1.408 -3.243 0.829 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.272 -2.928 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.128 -4.712 0.542 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.703 -3.481 1.648 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.792 -3.233 0.317 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.214 -4.422 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.171 -6.149 0.992 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.788 -4.957 2.119 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.869 -4.731 0.741 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.252 -5.923 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.758 -6.909 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.197 -7.544 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.795 -6.388 2.495 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.546 -0.679 1.103 1.00 0.00 N ATOM 1348 CA LEU B 4 -3.979 0.732 1.350 1.00 0.00 C ATOM 1349 C LEU B 4 -3.473 1.755 0.273 1.00 0.00 C ATOM 1350 O LEU B 4 -4.275 2.549 -0.229 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.561 1.193 2.780 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.185 0.443 3.993 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -3.469 0.834 5.302 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -5.703 0.680 4.133 1.00 0.00 C ATOM 0 H LEU B 4 -3.004 -1.080 1.868 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.066 0.726 1.269 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -2.477 1.110 2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -3.807 2.250 2.877 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.043 -0.621 3.801 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -3.920 0.299 6.137 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -2.413 0.572 5.231 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -3.567 1.908 5.464 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.079 0.131 4.996 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.894 1.745 4.269 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.210 0.332 3.233 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.175 1.704 -0.103 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.615 2.448 -1.268 1.00 0.00 C ATOM 1368 C LEU B 5 -2.133 1.945 -2.661 1.00 0.00 C ATOM 1369 O LEU B 5 -2.221 2.760 -3.578 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.059 2.447 -1.160 1.00 0.00 C ATOM 1371 CG LEU B 5 0.699 3.577 -1.927 1.00 0.00 C ATOM 1372 CD1 LEU B 5 1.986 3.985 -1.179 1.00 0.00 C ATOM 1373 CD2 LEU B 5 1.058 3.226 -3.388 1.00 0.00 C ATOM 0 H LEU B 5 -1.479 1.145 0.391 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.980 3.474 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.209 2.513 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.306 1.486 -1.522 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.005 4.409 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.495 4.773 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.729 4.349 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.644 3.121 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.582 4.065 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.700 2.345 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.146 3.019 -3.947 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.506 0.654 -2.825 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.211 0.135 -4.023 1.00 0.00 C ATOM 1387 C ALA B 6 -4.631 0.726 -4.237 1.00 0.00 C ATOM 1388 O ALA B 6 -5.000 0.845 -5.396 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.265 -1.401 -4.029 1.00 0.00 C ATOM 0 H ALA B 6 -2.325 -0.064 -2.123 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.610 0.476 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.789 -1.743 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.251 -1.801 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.794 -1.750 -3.142 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.408 1.057 -3.177 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.644 1.892 -3.283 1.00 0.00 C ATOM 1397 C LYS B 7 -6.335 3.381 -3.670 1.00 0.00 C ATOM 1398 O LYS B 7 -6.885 3.954 -4.637 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.306 1.842 -1.905 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.711 2.462 -1.916 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.420 2.359 -0.550 1.00 0.00 C ATOM 1402 CE LYS B 7 -10.843 2.947 -0.563 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.486 2.832 0.758 1.00 0.00 N ATOM 0 H LYS B 7 -5.202 0.757 -2.224 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.287 1.503 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.370 0.806 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.682 2.371 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.638 3.511 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.317 1.964 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.468 1.312 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -8.825 2.878 0.202 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -10.802 3.995 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.446 2.428 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.443 3.237 0.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -11.546 1.830 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -10.923 3.348 1.464 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.378 3.959 -2.897 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.724 5.251 -3.212 1.00 0.00 C ATOM 1419 C GLY B 8 -4.364 5.482 -4.695 1.00 0.00 C ATOM 1420 O GLY B 8 -4.716 6.543 -5.215 1.00 0.00 O ATOM 0 H GLY B 8 -5.039 3.536 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.382 6.057 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.811 5.328 -2.621 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.709 4.500 -5.368 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.583 4.537 -6.852 1.00 0.00 C ATOM 1426 C LEU B 9 -4.694 3.742 -7.653 1.00 0.00 C ATOM 1427 O LEU B 9 -4.777 3.893 -8.870 1.00 0.00 O ATOM 1428 CB LEU B 9 -2.136 4.300 -7.326 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.849 5.004 -8.697 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.933 6.546 -8.776 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.393 4.780 -9.104 1.00 0.00 C ATOM 0 H LEU B 9 -3.271 3.693 -4.923 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.814 5.566 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.441 4.673 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.956 3.229 -7.423 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.635 4.563 -9.309 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.707 6.871 -9.792 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.938 6.870 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -1.213 6.985 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.202 5.272 -10.058 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.266 5.196 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -0.203 3.711 -9.203 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.624 2.999 -7.024 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.918 2.500 -7.653 1.00 0.00 C ATOM 1445 C LEU B 10 -7.738 3.682 -8.295 1.00 0.00 C ATOM 1446 O LEU B 10 -8.518 3.441 -9.220 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.828 1.664 -6.706 1.00 0.00 C ATOM 1448 CG LEU B 10 -9.041 0.901 -7.319 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -8.621 -0.231 -8.278 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.947 0.340 -6.206 1.00 0.00 C ATOM 0 H LEU B 10 -5.521 2.710 -6.051 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.593 1.812 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.197 0.932 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.213 2.336 -5.939 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.595 1.630 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.510 -0.723 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -8.043 0.186 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -8.012 -0.957 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.788 -0.189 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -9.375 -0.348 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -10.320 1.160 -5.592 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.495 4.935 -7.823 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.819 6.219 -8.553 1.00 0.00 C ATOM 1464 C ILE B 11 -7.669 6.256 -10.141 1.00 0.00 C ATOM 1465 O ILE B 11 -8.066 7.239 -10.771 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.795 7.290 -7.961 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.193 8.781 -8.165 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.310 7.106 -8.451 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.507 9.210 -7.493 1.00 0.00 C ATOM 0 H ILE B 11 -7.063 5.097 -6.913 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.883 6.392 -8.394 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.855 7.068 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.388 9.410 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.271 8.976 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.681 7.874 -8.002 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.948 6.121 -8.154 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.271 7.195 -9.537 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.692 10.265 -7.696 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.330 8.614 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.433 9.055 -6.417 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.962 5.256 -10.713 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.488 5.160 -12.122 1.00 0.00 C ATOM 1483 C ARG B 12 -7.384 5.734 -13.257 1.00 0.00 C ATOM 1484 O ARG B 12 -6.899 6.501 -14.091 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.206 3.659 -12.366 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.340 2.681 -11.969 1.00 0.00 C ATOM 1487 CD ARG B 12 -6.973 1.173 -11.974 1.00 0.00 C ATOM 1488 NE ARG B 12 -7.238 0.455 -13.253 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.429 -0.089 -13.591 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -9.503 -0.082 -12.802 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -8.544 -0.661 -14.773 1.00 0.00 N ATOM 0 H ARG B 12 -6.686 4.437 -10.171 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.620 5.815 -12.193 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.986 3.518 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.307 3.384 -11.814 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.688 2.946 -10.971 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -8.178 2.833 -12.649 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -5.915 1.073 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.529 0.678 -11.177 1.00 0.00 H new ATOM 0 HE ARG B 12 -6.469 0.368 -13.918 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.456 0.353 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -10.372 -0.511 -13.120 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -7.746 -0.686 -15.408 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -9.431 -1.079 -15.053 1.00 0.00 H new