USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 713 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 89 LYS NZ :NH3+ -125:sc= -0.544 (180deg=-0.94) USER MOD Set 1.2: A 92 MET CE :methyl 176:sc= -1.26 (180deg=-0.962) USER MOD Set 2.1: A 39 GLN : amide:sc= 1.01 K(o=1.8,f=-2) USER MOD Set 2.2: A 41 TYR OH : rot -45:sc= 0.787 USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= -0.876 USER MOD Set 3.2: A 38 CYS SG : rot 23:sc= 0.311 USER MOD Set 4.1: A 16 LYS NZ :NH3+ 172:sc= 0.493 (180deg=0) USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0.456 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.341 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -160:sc= -0.0156 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.589 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -48:sc= -0.397 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 30:sc= 0.143 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= -2.25 (180deg=-2.27) USER MOD Single : A 77 THR OG1 : rot -61:sc= -0.758 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 98 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.97) USER MOD Single : A 100 GLN : amide:sc= -0.725 K(o=-0.72,f=-0.18!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -0.369 X(o=-0.37,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.399 6.522 6.322 1.00 0.00 N ATOM 111 CA LEU A 10 -2.795 5.194 6.292 1.00 0.00 C ATOM 112 C LEU A 10 -1.318 5.275 5.923 1.00 0.00 C ATOM 113 O LEU A 10 -0.969 5.537 4.771 1.00 0.00 O ATOM 114 CB LEU A 10 -3.533 4.299 5.295 1.00 0.00 C ATOM 115 CG LEU A 10 -2.915 2.923 5.042 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.112 2.020 6.250 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.517 2.289 3.797 1.00 0.00 C ATOM 0 HA LEU A 10 -2.878 4.762 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.553 4.157 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.598 4.826 4.343 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.845 3.051 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.666 1.045 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.634 2.468 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.178 1.899 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.066 1.311 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.593 2.174 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.325 2.927 2.934 1.00 0.00 H new ATOM 129 N CYS A 11 -0.454 5.048 6.907 1.00 0.00 N ATOM 130 CA CYS A 11 0.987 5.094 6.685 1.00 0.00 C ATOM 131 C CYS A 11 1.698 4.027 7.511 1.00 0.00 C ATOM 132 O CYS A 11 1.133 3.481 8.458 1.00 0.00 O ATOM 133 CB CYS A 11 1.534 6.478 7.037 1.00 0.00 C ATOM 134 SG CYS A 11 1.473 6.870 8.801 1.00 0.00 S ATOM 0 H CYS A 11 -0.726 4.830 7.866 1.00 0.00 H new ATOM 0 HA CYS A 11 1.174 4.895 5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.567 6.546 6.696 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.968 7.231 6.489 1.00 0.00 H new ATOM 0 HG CYS A 11 1.959 8.059 8.998 1.00 0.00 H new ATOM 140 N GLY A 12 2.943 3.735 7.146 1.00 0.00 N ATOM 141 CA GLY A 12 3.711 2.733 7.862 1.00 0.00 C ATOM 142 C GLY A 12 4.970 2.329 7.122 1.00 0.00 C ATOM 143 O GLY A 12 5.074 2.518 5.910 1.00 0.00 O ATOM 0 H GLY A 12 3.433 4.175 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.979 3.120 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.090 1.852 8.025 1.00 0.00 H new ATOM 147 N TYR A 13 5.931 1.774 7.852 1.00 0.00 N ATOM 148 CA TYR A 13 7.192 1.346 7.258 1.00 0.00 C ATOM 149 C TYR A 13 7.124 -0.117 6.830 1.00 0.00 C ATOM 150 O TYR A 13 6.596 -0.963 7.553 1.00 0.00 O ATOM 151 CB TYR A 13 8.341 1.547 8.248 1.00 0.00 C ATOM 152 CG TYR A 13 8.782 2.987 8.379 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.175 3.839 9.294 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.804 3.496 7.589 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.574 5.156 9.418 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.211 4.811 7.706 1.00 0.00 C ATOM 157 CZ TYR A 13 9.593 5.637 8.622 1.00 0.00 C ATOM 158 OH TYR A 13 9.994 6.948 8.741 1.00 0.00 O ATOM 0 H TYR A 13 5.861 1.610 8.856 1.00 0.00 H new ATOM 0 HA TYR A 13 7.373 1.956 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.034 1.179 9.227 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.191 0.943 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.378 3.465 9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.289 2.852 6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.091 5.805 10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.008 5.190 7.084 1.00 0.00 H new ATOM 0 HH TYR A 13 10.722 7.126 8.110 1.00 0.00 H new ATOM 168 N LEU A 14 7.662 -0.407 5.651 1.00 0.00 N ATOM 169 CA LEU A 14 7.665 -1.768 5.125 1.00 0.00 C ATOM 170 C LEU A 14 9.044 -2.144 4.594 1.00 0.00 C ATOM 171 O LEU A 14 9.914 -1.287 4.434 1.00 0.00 O ATOM 172 CB LEU A 14 6.622 -1.908 4.014 1.00 0.00 C ATOM 173 CG LEU A 14 5.173 -1.634 4.416 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.276 -1.599 3.188 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.685 -2.682 5.405 1.00 0.00 C ATOM 0 H LEU A 14 8.102 0.282 5.041 1.00 0.00 H new ATOM 0 HA LEU A 14 7.413 -2.447 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.888 -1.228 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.682 -2.920 3.612 1.00 0.00 H new ATOM 0 HG LEU A 14 5.130 -0.659 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.248 -1.403 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.611 -0.810 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.325 -2.559 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.652 -2.470 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.744 -3.669 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.310 -2.658 6.298 1.00 0.00 H new ATOM 187 N SER A 15 9.237 -3.430 4.320 1.00 0.00 N ATOM 188 CA SER A 15 10.511 -3.920 3.808 1.00 0.00 C ATOM 189 C SER A 15 10.396 -4.297 2.334 1.00 0.00 C ATOM 190 O SER A 15 9.787 -5.308 1.985 1.00 0.00 O ATOM 191 CB SER A 15 10.980 -5.130 4.620 1.00 0.00 C ATOM 192 OG SER A 15 11.716 -4.724 5.761 1.00 0.00 O ATOM 0 H SER A 15 8.527 -4.152 4.444 1.00 0.00 H new ATOM 0 HA SER A 15 11.245 -3.120 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.118 -5.720 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.598 -5.774 3.995 1.00 0.00 H new ATOM 0 HG SER A 15 12.263 -5.472 6.081 1.00 0.00 H new ATOM 198 N LYS A 16 10.985 -3.474 1.473 1.00 0.00 N ATOM 199 CA LYS A 16 10.951 -3.719 0.036 1.00 0.00 C ATOM 200 C LYS A 16 11.868 -4.878 -0.341 1.00 0.00 C ATOM 201 O LYS A 16 13.084 -4.804 -0.164 1.00 0.00 O ATOM 202 CB LYS A 16 11.366 -2.458 -0.727 1.00 0.00 C ATOM 203 CG LYS A 16 11.094 -2.533 -2.219 1.00 0.00 C ATOM 204 CD LYS A 16 9.708 -2.012 -2.560 1.00 0.00 C ATOM 205 CE LYS A 16 9.252 -2.493 -3.929 1.00 0.00 C ATOM 206 NZ LYS A 16 9.963 -1.787 -5.030 1.00 0.00 N ATOM 0 H LYS A 16 11.492 -2.632 1.745 1.00 0.00 H new ATOM 0 HA LYS A 16 9.930 -3.983 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.835 -1.601 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.430 -2.281 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.844 -1.953 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.189 -3.565 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.998 -2.342 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.713 -0.922 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.426 -3.566 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.178 -2.335 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.726 -2.234 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.671 -0.789 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.990 -1.844 -4.873 1.00 0.00 H new ATOM 220 N PHE A 17 11.277 -5.949 -0.862 1.00 0.00 N ATOM 221 CA PHE A 17 12.041 -7.124 -1.264 1.00 0.00 C ATOM 222 C PHE A 17 12.558 -6.974 -2.692 1.00 0.00 C ATOM 223 O PHE A 17 11.963 -6.273 -3.509 1.00 0.00 O ATOM 224 CB PHE A 17 11.178 -8.382 -1.152 1.00 0.00 C ATOM 225 CG PHE A 17 11.975 -9.654 -1.108 1.00 0.00 C ATOM 226 CD1 PHE A 17 12.859 -9.898 -0.069 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.841 -10.606 -2.106 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.594 -11.067 -0.027 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.574 -11.778 -2.069 1.00 0.00 C ATOM 230 CZ PHE A 17 13.451 -12.009 -1.027 1.00 0.00 C ATOM 0 H PHE A 17 10.272 -6.027 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 17 12.896 -7.217 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.567 -8.314 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.494 -8.420 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 17 12.975 -9.166 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.156 -10.431 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.280 -11.244 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.461 -12.512 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.024 -12.924 -0.994 1.00 0.00 H new ATOM 347 N TRP A 26 15.601 -7.978 1.949 1.00 0.00 N ATOM 348 CA TRP A 26 14.682 -6.984 2.493 1.00 0.00 C ATOM 349 C TRP A 26 15.401 -5.667 2.761 1.00 0.00 C ATOM 350 O TRP A 26 16.450 -5.640 3.406 1.00 0.00 O ATOM 351 CB TRP A 26 14.043 -7.502 3.782 1.00 0.00 C ATOM 352 CG TRP A 26 13.267 -8.770 3.593 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.659 -10.031 3.940 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.966 -8.899 3.009 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.680 -10.937 3.607 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.631 -10.267 3.035 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.050 -7.992 2.468 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.421 -10.746 2.540 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.850 -8.469 1.977 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.544 -9.836 2.017 1.00 0.00 C ATOM 0 HA TRP A 26 13.900 -6.806 1.755 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.824 -7.670 4.524 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.380 -6.736 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.600 -10.280 4.408 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.727 -11.944 3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.277 -6.937 2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.183 -11.799 2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.136 -7.777 1.555 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.597 -10.178 1.627 1.00 0.00 H new ATOM 371 N LYS A 27 14.832 -4.575 2.263 1.00 0.00 N ATOM 372 CA LYS A 27 15.418 -3.253 2.450 1.00 0.00 C ATOM 373 C LYS A 27 14.471 -2.343 3.226 1.00 0.00 C ATOM 374 O LYS A 27 13.266 -2.589 3.284 1.00 0.00 O ATOM 375 CB LYS A 27 15.750 -2.623 1.095 1.00 0.00 C ATOM 376 CG LYS A 27 17.105 -3.038 0.547 1.00 0.00 C ATOM 377 CD LYS A 27 17.107 -4.491 0.105 1.00 0.00 C ATOM 378 CE LYS A 27 18.506 -4.960 -0.264 1.00 0.00 C ATOM 379 NZ LYS A 27 18.529 -6.404 -0.628 1.00 0.00 N ATOM 0 H LYS A 27 13.965 -4.579 1.726 1.00 0.00 H new ATOM 0 HA LYS A 27 16.337 -3.369 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.977 -2.898 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.724 -1.538 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.368 -2.400 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.868 -2.888 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.712 -5.116 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.444 -4.613 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.878 -4.369 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.180 -4.786 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.500 -6.685 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.198 -6.971 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.905 -6.566 -1.444 1.00 0.00 H new ATOM 393 N SER A 28 15.024 -1.291 3.821 1.00 0.00 N ATOM 394 CA SER A 28 14.229 -0.345 4.596 1.00 0.00 C ATOM 395 C SER A 28 13.621 0.723 3.691 1.00 0.00 C ATOM 396 O SER A 28 14.335 1.549 3.122 1.00 0.00 O ATOM 397 CB SER A 28 15.090 0.313 5.675 1.00 0.00 C ATOM 398 OG SER A 28 15.446 -0.618 6.682 1.00 0.00 O ATOM 0 H SER A 28 16.019 -1.072 3.781 1.00 0.00 H new ATOM 0 HA SER A 28 13.418 -0.895 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.991 0.727 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.546 1.146 6.121 1.00 0.00 H new ATOM 0 HG SER A 28 15.998 -0.173 7.359 1.00 0.00 H new ATOM 404 N ARG A 29 12.298 0.701 3.565 1.00 0.00 N ATOM 405 CA ARG A 29 11.594 1.666 2.730 1.00 0.00 C ATOM 406 C ARG A 29 10.298 2.118 3.397 1.00 0.00 C ATOM 407 O ARG A 29 9.528 1.299 3.898 1.00 0.00 O ATOM 408 CB ARG A 29 11.290 1.059 1.359 1.00 0.00 C ATOM 409 CG ARG A 29 12.531 0.782 0.527 1.00 0.00 C ATOM 410 CD ARG A 29 13.066 2.052 -0.116 1.00 0.00 C ATOM 411 NE ARG A 29 14.103 1.770 -1.105 1.00 0.00 N ATOM 412 CZ ARG A 29 15.366 1.505 -0.791 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.747 1.487 0.479 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.252 1.258 -1.747 1.00 0.00 N ATOM 0 H ARG A 29 11.692 0.025 4.031 1.00 0.00 H new ATOM 0 HA ARG A 29 12.238 2.536 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.740 0.128 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.637 1.736 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.302 0.340 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.296 0.052 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.247 2.590 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.470 2.707 0.656 1.00 0.00 H new ATOM 0 HE ARG A 29 13.843 1.777 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.069 1.677 1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.718 1.283 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.964 1.271 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.221 1.055 -1.504 1.00 0.00 H new ATOM 428 N TRP A 30 10.066 3.426 3.399 1.00 0.00 N ATOM 429 CA TRP A 30 8.864 3.987 4.005 1.00 0.00 C ATOM 430 C TRP A 30 7.714 4.021 3.004 1.00 0.00 C ATOM 431 O TRP A 30 7.881 4.466 1.868 1.00 0.00 O ATOM 432 CB TRP A 30 9.142 5.397 4.529 1.00 0.00 C ATOM 433 CG TRP A 30 7.906 6.232 4.672 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.453 7.182 3.801 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.966 6.194 5.751 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.288 7.736 4.274 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.968 7.147 5.468 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.868 5.446 6.927 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.889 7.370 6.319 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.797 5.669 7.771 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.819 6.623 7.464 1.00 0.00 C ATOM 0 H TRP A 30 10.694 4.117 2.988 1.00 0.00 H new ATOM 0 HA TRP A 30 8.576 3.347 4.839 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.638 5.326 5.497 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.834 5.898 3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.939 7.457 2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.749 8.468 3.811 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.616 4.707 7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.134 8.106 6.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.713 5.097 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.993 6.772 8.144 1.00 0.00 H new ATOM 452 N PHE A 31 6.548 3.548 3.431 1.00 0.00 N ATOM 453 CA PHE A 31 5.371 3.524 2.571 1.00 0.00 C ATOM 454 C PHE A 31 4.243 4.360 3.169 1.00 0.00 C ATOM 455 O PHE A 31 3.903 4.215 4.343 1.00 0.00 O ATOM 456 CB PHE A 31 4.897 2.085 2.359 1.00 0.00 C ATOM 457 CG PHE A 31 5.814 1.274 1.489 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.021 0.803 1.981 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.469 0.981 0.180 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.867 0.058 1.182 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.311 0.235 -0.624 1.00 0.00 C ATOM 462 CZ PHE A 31 7.511 -0.228 -0.122 1.00 0.00 C ATOM 0 H PHE A 31 6.393 3.176 4.368 1.00 0.00 H new ATOM 0 HA PHE A 31 5.647 3.954 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.802 1.596 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.903 2.100 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.303 1.021 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.531 1.340 -0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.806 -0.301 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.030 0.015 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.170 -0.812 -0.747 1.00 0.00 H new ATOM 472 N PHE A 32 3.668 5.236 2.352 1.00 0.00 N ATOM 473 CA PHE A 32 2.579 6.097 2.799 1.00 0.00 C ATOM 474 C PHE A 32 1.508 6.225 1.720 1.00 0.00 C ATOM 475 O PHE A 32 1.817 6.365 0.536 1.00 0.00 O ATOM 476 CB PHE A 32 3.115 7.482 3.168 1.00 0.00 C ATOM 477 CG PHE A 32 3.454 8.331 1.977 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.471 9.056 1.323 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.757 8.403 1.510 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.781 9.838 0.226 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.073 9.184 0.414 1.00 0.00 C ATOM 482 CZ PHE A 32 4.083 9.901 -0.230 1.00 0.00 C ATOM 0 H PHE A 32 3.938 5.369 1.377 1.00 0.00 H new ATOM 0 HA PHE A 32 2.128 5.642 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.372 8.001 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.005 7.365 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.451 9.010 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.534 7.843 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.006 10.399 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.093 9.234 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.327 10.510 -1.088 1.00 0.00 H new ATOM 492 N TYR A 33 0.248 6.175 2.137 1.00 0.00 N ATOM 493 CA TYR A 33 -0.870 6.282 1.207 1.00 0.00 C ATOM 494 C TYR A 33 -1.224 7.743 0.946 1.00 0.00 C ATOM 495 O TYR A 33 -1.183 8.575 1.853 1.00 0.00 O ATOM 496 CB TYR A 33 -2.090 5.540 1.755 1.00 0.00 C ATOM 497 CG TYR A 33 -3.346 5.754 0.941 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.648 4.930 -0.136 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.230 6.781 1.249 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.794 5.123 -0.883 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.379 6.980 0.508 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.656 6.149 -0.557 1.00 0.00 C ATOM 503 OH TYR A 33 -6.799 6.343 -1.298 1.00 0.00 O ATOM 0 H TYR A 33 -0.025 6.061 3.113 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.569 5.826 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.869 4.473 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.272 5.864 2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.976 4.125 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.015 7.435 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.014 4.474 -1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.056 7.782 0.761 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.297 7.106 -0.937 1.00 0.00 H new ATOM 513 N ASP A 34 -1.572 8.047 -0.299 1.00 0.00 N ATOM 514 CA ASP A 34 -1.936 9.407 -0.681 1.00 0.00 C ATOM 515 C ASP A 34 -3.411 9.489 -1.059 1.00 0.00 C ATOM 516 O ASP A 34 -3.798 9.122 -2.168 1.00 0.00 O ATOM 517 CB ASP A 34 -1.070 9.880 -1.849 1.00 0.00 C ATOM 518 CG ASP A 34 -1.037 11.391 -1.971 1.00 0.00 C ATOM 519 OD1 ASP A 34 -0.883 12.066 -0.931 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.165 11.899 -3.105 1.00 0.00 O ATOM 0 H ASP A 34 -1.610 7.370 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.763 10.058 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.054 9.507 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.451 9.452 -2.776 1.00 0.00 H new ATOM 525 N GLU A 35 -4.230 9.971 -0.130 1.00 0.00 N ATOM 526 CA GLU A 35 -5.663 10.099 -0.366 1.00 0.00 C ATOM 527 C GLU A 35 -5.948 11.173 -1.413 1.00 0.00 C ATOM 528 O GLU A 35 -7.090 11.353 -1.837 1.00 0.00 O ATOM 529 CB GLU A 35 -6.390 10.436 0.937 1.00 0.00 C ATOM 530 CG GLU A 35 -5.894 11.712 1.598 1.00 0.00 C ATOM 531 CD GLU A 35 -6.974 12.412 2.399 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.286 11.942 3.513 1.00 0.00 O ATOM 533 OE2 GLU A 35 -7.508 13.430 1.911 1.00 0.00 O ATOM 0 H GLU A 35 -3.926 10.279 0.793 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.030 9.143 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.456 10.533 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.272 9.606 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.056 11.475 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.517 12.390 0.833 1.00 0.00 H new ATOM 540 N ARG A 36 -4.903 11.883 -1.823 1.00 0.00 N ATOM 541 CA ARG A 36 -5.040 12.939 -2.818 1.00 0.00 C ATOM 542 C ARG A 36 -5.255 12.351 -4.210 1.00 0.00 C ATOM 543 O ARG A 36 -6.097 12.825 -4.973 1.00 0.00 O ATOM 544 CB ARG A 36 -3.799 13.834 -2.818 1.00 0.00 C ATOM 545 CG ARG A 36 -3.887 14.995 -1.840 1.00 0.00 C ATOM 546 CD ARG A 36 -4.428 16.248 -2.511 1.00 0.00 C ATOM 547 NE ARG A 36 -4.324 17.421 -1.646 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.337 18.670 -2.097 1.00 0.00 C ATOM 549 NH1 ARG A 36 -4.449 18.908 -3.397 1.00 0.00 N ATOM 550 NH2 ARG A 36 -4.237 19.684 -1.248 1.00 0.00 N ATOM 0 H ARG A 36 -3.952 11.746 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.912 13.538 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.925 13.230 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.644 14.227 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.532 14.721 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.899 15.200 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.880 16.430 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.471 16.091 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.237 17.272 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.525 18.131 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.459 19.868 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.150 19.505 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.247 20.643 -1.595 1.00 0.00 H new ATOM 564 N LYS A 37 -4.488 11.316 -4.534 1.00 0.00 N ATOM 565 CA LYS A 37 -4.594 10.661 -5.833 1.00 0.00 C ATOM 566 C LYS A 37 -5.010 9.202 -5.674 1.00 0.00 C ATOM 567 O LYS A 37 -4.871 8.403 -6.601 1.00 0.00 O ATOM 568 CB LYS A 37 -3.260 10.744 -6.579 1.00 0.00 C ATOM 569 CG LYS A 37 -2.630 12.126 -6.547 1.00 0.00 C ATOM 570 CD LYS A 37 -1.532 12.262 -7.588 1.00 0.00 C ATOM 571 CE LYS A 37 -0.530 13.340 -7.203 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.004 14.699 -7.584 1.00 0.00 N ATOM 0 H LYS A 37 -3.785 10.912 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.360 11.178 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.564 10.027 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.415 10.448 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.396 12.880 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.219 12.317 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.017 11.308 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.974 12.503 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.354 13.305 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.425 13.139 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.294 15.405 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.148 14.741 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.902 14.902 -7.100 1.00 0.00 H new ATOM 586 N CYS A 38 -5.523 8.863 -4.497 1.00 0.00 N ATOM 587 CA CYS A 38 -5.960 7.499 -4.218 1.00 0.00 C ATOM 588 C CYS A 38 -4.891 6.491 -4.625 1.00 0.00 C ATOM 589 O CYS A 38 -5.194 5.456 -5.217 1.00 0.00 O ATOM 590 CB CYS A 38 -7.267 7.200 -4.955 1.00 0.00 C ATOM 591 SG CYS A 38 -8.249 5.878 -4.209 1.00 0.00 S ATOM 0 H CYS A 38 -5.647 9.513 -3.721 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.127 7.410 -3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.868 8.109 -4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.037 6.930 -5.986 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.927 5.753 -2.956 1.00 0.00 H new ATOM 597 N GLN A 39 -3.639 6.802 -4.304 1.00 0.00 N ATOM 598 CA GLN A 39 -2.524 5.924 -4.638 1.00 0.00 C ATOM 599 C GLN A 39 -1.652 5.662 -3.414 1.00 0.00 C ATOM 600 O GLN A 39 -1.887 6.218 -2.340 1.00 0.00 O ATOM 601 CB GLN A 39 -1.682 6.538 -5.758 1.00 0.00 C ATOM 602 CG GLN A 39 -2.319 6.420 -7.133 1.00 0.00 C ATOM 603 CD GLN A 39 -1.518 7.125 -8.209 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.089 8.265 -8.034 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.312 6.448 -9.333 1.00 0.00 N ATOM 0 H GLN A 39 -3.372 7.655 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.932 4.973 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.510 7.591 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.706 6.052 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.421 5.366 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.325 6.839 -7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.686 5.505 -9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.780 6.871 -10.093 1.00 0.00 H new ATOM 614 N LEU A 40 -0.644 4.813 -3.583 1.00 0.00 N ATOM 615 CA LEU A 40 0.264 4.477 -2.493 1.00 0.00 C ATOM 616 C LEU A 40 1.692 4.898 -2.824 1.00 0.00 C ATOM 617 O LEU A 40 2.370 4.254 -3.625 1.00 0.00 O ATOM 618 CB LEU A 40 0.216 2.974 -2.208 1.00 0.00 C ATOM 619 CG LEU A 40 1.198 2.459 -1.154 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.842 3.007 0.219 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.212 0.938 -1.137 1.00 0.00 C ATOM 0 H LEU A 40 -0.435 4.345 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.058 5.020 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.795 2.717 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.403 2.441 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 40 2.197 2.808 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.551 2.630 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.884 4.096 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.165 2.688 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.916 0.589 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.214 0.568 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.516 0.566 -2.115 1.00 0.00 H new ATOM 633 N TYR A 41 2.144 5.980 -2.200 1.00 0.00 N ATOM 634 CA TYR A 41 3.491 6.487 -2.429 1.00 0.00 C ATOM 635 C TYR A 41 4.435 6.050 -1.312 1.00 0.00 C ATOM 636 O TYR A 41 4.119 6.183 -0.130 1.00 0.00 O ATOM 637 CB TYR A 41 3.474 8.014 -2.528 1.00 0.00 C ATOM 638 CG TYR A 41 2.764 8.532 -3.758 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.376 8.587 -3.812 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.480 8.969 -4.866 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.723 9.059 -4.934 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.835 9.444 -5.991 1.00 0.00 C ATOM 643 CZ TYR A 41 1.457 9.487 -6.021 1.00 0.00 C ATOM 644 OH TYR A 41 0.810 9.960 -7.139 1.00 0.00 O ATOM 0 H TYR A 41 1.597 6.523 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 41 3.853 6.072 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.990 8.422 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.500 8.381 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.798 8.255 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.559 8.937 -4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.356 9.093 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.407 9.780 -6.843 1.00 0.00 H new ATOM 0 HH TYR A 41 0.071 9.359 -7.368 1.00 0.00 H new ATOM 654 N TYR A 42 5.594 5.528 -1.697 1.00 0.00 N ATOM 655 CA TYR A 42 6.584 5.069 -0.730 1.00 0.00 C ATOM 656 C TYR A 42 7.972 5.600 -1.077 1.00 0.00 C ATOM 657 O TYR A 42 8.372 5.608 -2.241 1.00 0.00 O ATOM 658 CB TYR A 42 6.608 3.540 -0.680 1.00 0.00 C ATOM 659 CG TYR A 42 7.294 2.907 -1.869 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.681 2.867 -1.956 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.557 2.348 -2.906 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.312 2.290 -3.041 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.180 1.768 -3.994 1.00 0.00 C ATOM 664 CZ TYR A 42 8.558 1.741 -4.057 1.00 0.00 C ATOM 665 OH TYR A 42 9.182 1.165 -5.139 1.00 0.00 O ATOM 0 H TYR A 42 5.871 5.412 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 42 6.303 5.454 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.113 3.222 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.584 3.170 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.275 3.294 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.478 2.367 -2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.391 2.269 -3.093 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.592 1.338 -4.791 1.00 0.00 H new ATOM 0 HH TYR A 42 8.507 0.825 -5.763 1.00 0.00 H new ATOM 675 N SER A 43 8.701 6.041 -0.058 1.00 0.00 N ATOM 676 CA SER A 43 10.043 6.577 -0.253 1.00 0.00 C ATOM 677 C SER A 43 10.999 6.051 0.813 1.00 0.00 C ATOM 678 O SER A 43 10.622 5.229 1.648 1.00 0.00 O ATOM 679 CB SER A 43 10.015 8.106 -0.219 1.00 0.00 C ATOM 680 OG SER A 43 11.000 8.654 -1.077 1.00 0.00 O ATOM 0 H SER A 43 8.385 6.038 0.912 1.00 0.00 H new ATOM 0 HA SER A 43 10.399 6.249 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.029 8.461 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.183 8.453 0.801 1.00 0.00 H new ATOM 0 HG SER A 43 10.960 9.632 -1.038 1.00 0.00 H new ATOM 686 N ARG A 44 12.238 6.530 0.777 1.00 0.00 N ATOM 687 CA ARG A 44 13.249 6.108 1.738 1.00 0.00 C ATOM 688 C ARG A 44 12.837 6.479 3.160 1.00 0.00 C ATOM 689 O ARG A 44 13.099 5.739 4.108 1.00 0.00 O ATOM 690 CB ARG A 44 14.599 6.746 1.404 1.00 0.00 C ATOM 691 CG ARG A 44 15.045 6.513 -0.030 1.00 0.00 C ATOM 692 CD ARG A 44 16.218 7.406 -0.401 1.00 0.00 C ATOM 693 NE ARG A 44 17.064 6.801 -1.426 1.00 0.00 N ATOM 694 CZ ARG A 44 18.337 7.131 -1.617 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.907 8.056 -0.857 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.042 6.535 -2.570 1.00 0.00 N ATOM 0 H ARG A 44 12.566 7.211 0.092 1.00 0.00 H new ATOM 0 HA ARG A 44 13.342 5.024 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.539 7.819 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.356 6.349 2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.327 5.468 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.212 6.705 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.844 8.365 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.815 7.609 0.488 1.00 0.00 H new ATOM 0 HE ARG A 44 16.656 6.086 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.368 8.516 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.884 8.307 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.607 5.823 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.019 6.789 -2.716 1.00 0.00 H new ATOM 710 N THR A 45 12.189 7.632 3.301 1.00 0.00 N ATOM 711 CA THR A 45 11.742 8.103 4.605 1.00 0.00 C ATOM 712 C THR A 45 10.333 8.681 4.528 1.00 0.00 C ATOM 713 O THR A 45 9.741 8.754 3.452 1.00 0.00 O ATOM 714 CB THR A 45 12.693 9.172 5.173 1.00 0.00 C ATOM 715 OG1 THR A 45 12.618 10.364 4.382 1.00 0.00 O ATOM 716 CG2 THR A 45 14.127 8.663 5.197 1.00 0.00 C ATOM 0 H THR A 45 11.962 8.256 2.527 1.00 0.00 H new ATOM 0 HA THR A 45 11.741 7.239 5.269 1.00 0.00 H new ATOM 0 HB THR A 45 12.386 9.394 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.224 11.040 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.781 9.436 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.187 7.772 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.442 8.416 4.183 1.00 0.00 H new ATOM 787 N PRO A 51 8.715 11.437 -3.202 1.00 0.00 N ATOM 788 CA PRO A 51 8.610 9.979 -3.087 1.00 0.00 C ATOM 789 C PRO A 51 9.365 9.254 -4.196 1.00 0.00 C ATOM 790 O PRO A 51 9.522 9.778 -5.300 1.00 0.00 O ATOM 791 CB PRO A 51 7.106 9.721 -3.207 1.00 0.00 C ATOM 792 CG PRO A 51 6.583 10.883 -3.979 1.00 0.00 C ATOM 793 CD PRO A 51 7.437 12.057 -3.588 1.00 0.00 C ATOM 0 HA PRO A 51 9.047 9.611 -2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.905 8.781 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.636 9.654 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.642 10.697 -5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.535 11.068 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.563 12.755 -4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.997 12.617 -2.763 1.00 0.00 H new ATOM 801 N LEU A 52 9.831 8.047 -3.897 1.00 0.00 N ATOM 802 CA LEU A 52 10.570 7.249 -4.869 1.00 0.00 C ATOM 803 C LEU A 52 9.666 6.819 -6.020 1.00 0.00 C ATOM 804 O LEU A 52 9.967 7.073 -7.187 1.00 0.00 O ATOM 805 CB LEU A 52 11.175 6.017 -4.194 1.00 0.00 C ATOM 806 CG LEU A 52 12.306 6.285 -3.199 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.612 5.034 -2.390 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.551 6.771 -3.925 1.00 0.00 C ATOM 0 H LEU A 52 9.710 7.599 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 52 11.373 7.866 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.379 5.484 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.551 5.350 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 52 11.982 7.067 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.419 5.243 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.722 4.730 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.915 4.231 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.345 6.957 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.878 6.012 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.324 7.694 -4.459 1.00 0.00 H new ATOM 820 N ASP A 53 8.558 6.170 -5.684 1.00 0.00 N ATOM 821 CA ASP A 53 7.608 5.707 -6.689 1.00 0.00 C ATOM 822 C ASP A 53 6.215 5.548 -6.087 1.00 0.00 C ATOM 823 O ASP A 53 6.038 5.639 -4.872 1.00 0.00 O ATOM 824 CB ASP A 53 8.073 4.379 -7.289 1.00 0.00 C ATOM 825 CG ASP A 53 9.163 4.563 -8.325 1.00 0.00 C ATOM 826 OD1 ASP A 53 10.322 4.811 -7.930 1.00 0.00 O ATOM 827 OD2 ASP A 53 8.859 4.457 -9.532 1.00 0.00 O ATOM 0 H ASP A 53 8.295 5.952 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 53 7.559 6.456 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.439 3.732 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.223 3.873 -7.746 1.00 0.00 H new ATOM 832 N SER A 54 5.228 5.310 -6.946 1.00 0.00 N ATOM 833 CA SER A 54 3.850 5.142 -6.500 1.00 0.00 C ATOM 834 C SER A 54 3.216 3.913 -7.144 1.00 0.00 C ATOM 835 O SER A 54 3.715 3.396 -8.144 1.00 0.00 O ATOM 836 CB SER A 54 3.029 6.389 -6.835 1.00 0.00 C ATOM 837 OG SER A 54 2.811 6.496 -8.231 1.00 0.00 O ATOM 0 H SER A 54 5.358 5.229 -7.955 1.00 0.00 H new ATOM 0 HA SER A 54 3.858 5.000 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.071 6.348 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.548 7.277 -6.476 1.00 0.00 H new ATOM 0 HG SER A 54 2.283 7.300 -8.419 1.00 0.00 H new ATOM 843 N ILE A 55 2.115 3.450 -6.562 1.00 0.00 N ATOM 844 CA ILE A 55 1.412 2.283 -7.079 1.00 0.00 C ATOM 845 C ILE A 55 -0.099 2.475 -7.007 1.00 0.00 C ATOM 846 O ILE A 55 -0.646 2.785 -5.949 1.00 0.00 O ATOM 847 CB ILE A 55 1.793 1.007 -6.305 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.300 0.756 -6.404 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.015 -0.187 -6.835 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.107 1.510 -5.371 1.00 0.00 C ATOM 0 H ILE A 55 1.691 3.865 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 55 1.713 2.170 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 55 1.535 1.145 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.490 -0.312 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.643 1.040 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.296 -1.081 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.053 -0.006 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.244 -0.331 -7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.166 1.284 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.946 2.581 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.792 1.209 -4.372 1.00 0.00 H new ATOM 862 N ASP A 56 -0.769 2.286 -8.139 1.00 0.00 N ATOM 863 CA ASP A 56 -2.218 2.435 -8.204 1.00 0.00 C ATOM 864 C ASP A 56 -2.916 1.245 -7.553 1.00 0.00 C ATOM 865 O ASP A 56 -2.924 0.141 -8.098 1.00 0.00 O ATOM 866 CB ASP A 56 -2.672 2.576 -9.658 1.00 0.00 C ATOM 867 CG ASP A 56 -4.145 2.915 -9.773 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.885 2.689 -8.793 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.558 3.407 -10.844 1.00 0.00 O ATOM 0 H ASP A 56 -0.331 2.029 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.491 3.337 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.084 3.353 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.474 1.645 -10.190 1.00 0.00 H new ATOM 874 N LEU A 57 -3.502 1.478 -6.383 1.00 0.00 N ATOM 875 CA LEU A 57 -4.203 0.425 -5.656 1.00 0.00 C ATOM 876 C LEU A 57 -5.546 0.115 -6.307 1.00 0.00 C ATOM 877 O LEU A 57 -6.063 -0.996 -6.189 1.00 0.00 O ATOM 878 CB LEU A 57 -4.413 0.838 -4.198 1.00 0.00 C ATOM 879 CG LEU A 57 -3.162 1.285 -3.440 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.517 1.695 -2.019 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.119 0.177 -3.432 1.00 0.00 C ATOM 0 H LEU A 57 -3.506 2.386 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.589 -0.475 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.139 1.651 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.856 -0.002 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.740 2.150 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.615 2.010 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.228 2.521 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.963 0.849 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.236 0.513 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.531 -0.707 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.842 -0.070 -4.457 1.00 0.00 H new ATOM 893 N SER A 58 -6.106 1.105 -6.996 1.00 0.00 N ATOM 894 CA SER A 58 -7.391 0.938 -7.666 1.00 0.00 C ATOM 895 C SER A 58 -7.455 -0.401 -8.394 1.00 0.00 C ATOM 896 O SER A 58 -8.504 -1.044 -8.443 1.00 0.00 O ATOM 897 CB SER A 58 -7.626 2.082 -8.655 1.00 0.00 C ATOM 898 OG SER A 58 -6.936 1.854 -9.871 1.00 0.00 O ATOM 0 H SER A 58 -5.690 2.030 -7.105 1.00 0.00 H new ATOM 0 HA SER A 58 -8.174 0.956 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.693 2.183 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.293 3.022 -8.215 1.00 0.00 H new ATOM 0 HG SER A 58 -6.011 1.595 -9.678 1.00 0.00 H new ATOM 904 N SER A 59 -6.325 -0.814 -8.959 1.00 0.00 N ATOM 905 CA SER A 59 -6.252 -2.075 -9.689 1.00 0.00 C ATOM 906 C SER A 59 -5.127 -2.951 -9.147 1.00 0.00 C ATOM 907 O SER A 59 -4.448 -3.646 -9.903 1.00 0.00 O ATOM 908 CB SER A 59 -6.037 -1.813 -11.181 1.00 0.00 C ATOM 909 OG SER A 59 -7.272 -1.604 -11.845 1.00 0.00 O ATOM 0 H SER A 59 -5.448 -0.294 -8.926 1.00 0.00 H new ATOM 0 HA SER A 59 -7.197 -2.601 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.398 -0.940 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.517 -2.659 -11.631 1.00 0.00 H new ATOM 0 HG SER A 59 -7.108 -1.437 -12.797 1.00 0.00 H new ATOM 915 N ALA A 60 -4.936 -2.913 -7.833 1.00 0.00 N ATOM 916 CA ALA A 60 -3.895 -3.705 -7.189 1.00 0.00 C ATOM 917 C ALA A 60 -4.495 -4.705 -6.206 1.00 0.00 C ATOM 918 O ALA A 60 -5.226 -4.328 -5.290 1.00 0.00 O ATOM 919 CB ALA A 60 -2.903 -2.795 -6.479 1.00 0.00 C ATOM 0 H ALA A 60 -5.488 -2.342 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.369 -4.266 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.131 -3.400 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.442 -2.124 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.424 -2.209 -5.722 1.00 0.00 H new ATOM 925 N VAL A 61 -4.181 -5.982 -6.403 1.00 0.00 N ATOM 926 CA VAL A 61 -4.689 -7.036 -5.533 1.00 0.00 C ATOM 927 C VAL A 61 -3.653 -7.432 -4.487 1.00 0.00 C ATOM 928 O VAL A 61 -2.541 -7.838 -4.821 1.00 0.00 O ATOM 929 CB VAL A 61 -5.089 -8.285 -6.341 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.161 -8.471 -7.532 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.082 -9.519 -5.452 1.00 0.00 C ATOM 0 H VAL A 61 -3.578 -6.311 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.571 -6.637 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.102 -8.143 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.459 -9.358 -8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.221 -7.597 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.137 -8.591 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.367 -10.392 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.083 -9.667 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.792 -9.383 -4.636 1.00 0.00 H new ATOM 941 N PHE A 62 -4.027 -7.310 -3.217 1.00 0.00 N ATOM 942 CA PHE A 62 -3.131 -7.654 -2.120 1.00 0.00 C ATOM 943 C PHE A 62 -3.357 -9.092 -1.663 1.00 0.00 C ATOM 944 O PHE A 62 -4.479 -9.482 -1.337 1.00 0.00 O ATOM 945 CB PHE A 62 -3.337 -6.696 -0.945 1.00 0.00 C ATOM 946 CG PHE A 62 -3.802 -5.330 -1.360 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.062 -4.573 -2.254 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.980 -4.801 -0.856 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.487 -3.316 -2.639 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.411 -3.545 -1.238 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.663 -2.800 -2.129 1.00 0.00 C ATOM 0 H PHE A 62 -4.945 -6.975 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.106 -7.562 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.067 -7.127 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.400 -6.601 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.141 -4.971 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.568 -5.377 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.901 -2.737 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.332 -3.146 -0.840 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.997 -1.817 -2.426 1.00 0.00 H new ATOM 961 N ASP A 63 -2.285 -9.876 -1.644 1.00 0.00 N ATOM 962 CA ASP A 63 -2.365 -11.271 -1.227 1.00 0.00 C ATOM 963 C ASP A 63 -1.339 -11.574 -0.140 1.00 0.00 C ATOM 964 O ASP A 63 -0.469 -10.752 0.152 1.00 0.00 O ATOM 965 CB ASP A 63 -2.145 -12.197 -2.425 1.00 0.00 C ATOM 966 CG ASP A 63 -2.458 -13.645 -2.103 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.653 -14.008 -2.104 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.509 -14.415 -1.849 1.00 0.00 O ATOM 0 H ASP A 63 -1.350 -9.569 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.361 -11.446 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.772 -11.869 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.110 -12.117 -2.757 1.00 0.00 H new ATOM 973 N CYS A 64 -1.447 -12.756 0.457 1.00 0.00 N ATOM 974 CA CYS A 64 -0.530 -13.166 1.514 1.00 0.00 C ATOM 975 C CYS A 64 0.347 -14.325 1.053 1.00 0.00 C ATOM 976 O CYS A 64 -0.138 -15.285 0.453 1.00 0.00 O ATOM 977 CB CYS A 64 -1.309 -13.567 2.767 1.00 0.00 C ATOM 978 SG CYS A 64 -2.415 -14.977 2.529 1.00 0.00 S ATOM 0 H CYS A 64 -2.161 -13.447 0.227 1.00 0.00 H new ATOM 0 HA CYS A 64 0.114 -12.319 1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.601 -13.804 3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.895 -12.713 3.107 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.931 -15.758 1.609 1.00 0.00 H new ATOM 984 N LYS A 65 1.642 -14.229 1.335 1.00 0.00 N ATOM 985 CA LYS A 65 2.589 -15.269 0.950 1.00 0.00 C ATOM 986 C LYS A 65 2.372 -16.535 1.773 1.00 0.00 C ATOM 987 O LYS A 65 1.694 -16.510 2.800 1.00 0.00 O ATOM 988 CB LYS A 65 4.025 -14.772 1.128 1.00 0.00 C ATOM 989 CG LYS A 65 4.592 -14.093 -0.107 1.00 0.00 C ATOM 990 CD LYS A 65 4.858 -15.093 -1.219 1.00 0.00 C ATOM 991 CE LYS A 65 6.085 -15.942 -0.924 1.00 0.00 C ATOM 992 NZ LYS A 65 5.995 -17.287 -1.557 1.00 0.00 N ATOM 0 H LYS A 65 2.060 -13.441 1.829 1.00 0.00 H new ATOM 0 HA LYS A 65 2.421 -15.507 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.058 -14.073 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.662 -15.616 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.894 -13.333 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.518 -13.580 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.989 -15.739 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.999 -14.562 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.976 -15.430 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.198 -16.055 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.850 -17.834 -1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.159 -17.787 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.913 -17.181 -2.588 1.00 0.00 H new ATOM 1006 N ALA A 66 2.953 -17.639 1.316 1.00 0.00 N ATOM 1007 CA ALA A 66 2.826 -18.913 2.013 1.00 0.00 C ATOM 1008 C ALA A 66 3.240 -18.784 3.474 1.00 0.00 C ATOM 1009 O ALA A 66 2.545 -19.261 4.372 1.00 0.00 O ATOM 1010 CB ALA A 66 3.659 -19.980 1.318 1.00 0.00 C ATOM 0 H ALA A 66 3.516 -17.677 0.466 1.00 0.00 H new ATOM 0 HA ALA A 66 1.778 -19.211 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.555 -20.926 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.313 -20.100 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.707 -19.679 1.315 1.00 0.00 H new ATOM 1016 N ASP A 67 4.376 -18.136 3.707 1.00 0.00 N ATOM 1017 CA ASP A 67 4.883 -17.943 5.061 1.00 0.00 C ATOM 1018 C ASP A 67 4.229 -16.732 5.719 1.00 0.00 C ATOM 1019 O ASP A 67 4.868 -16.009 6.483 1.00 0.00 O ATOM 1020 CB ASP A 67 6.403 -17.769 5.039 1.00 0.00 C ATOM 1021 CG ASP A 67 6.819 -16.366 4.643 1.00 0.00 C ATOM 1022 OD1 ASP A 67 6.046 -15.698 3.926 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.919 -15.936 5.050 1.00 0.00 O ATOM 0 H ASP A 67 4.964 -17.735 2.976 1.00 0.00 H new ATOM 0 HA ASP A 67 4.635 -18.829 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.807 -18.000 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.838 -18.484 4.341 1.00 0.00 H new ATOM 1028 N ALA A 68 2.953 -16.517 5.416 1.00 0.00 N ATOM 1029 CA ALA A 68 2.213 -15.395 5.978 1.00 0.00 C ATOM 1030 C ALA A 68 2.301 -15.387 7.500 1.00 0.00 C ATOM 1031 O ALA A 68 2.187 -14.337 8.132 1.00 0.00 O ATOM 1032 CB ALA A 68 0.759 -15.445 5.531 1.00 0.00 C ATOM 0 H ALA A 68 2.410 -17.106 4.784 1.00 0.00 H new ATOM 0 HA ALA A 68 2.663 -14.473 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.218 -14.601 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.711 -15.394 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.306 -16.376 5.871 1.00 0.00 H new ATOM 1038 N GLU A 69 2.503 -16.565 8.083 1.00 0.00 N ATOM 1039 CA GLU A 69 2.604 -16.692 9.532 1.00 0.00 C ATOM 1040 C GLU A 69 3.412 -15.541 10.125 1.00 0.00 C ATOM 1041 O GLU A 69 3.146 -15.093 11.239 1.00 0.00 O ATOM 1042 CB GLU A 69 3.250 -18.028 9.905 1.00 0.00 C ATOM 1043 CG GLU A 69 4.658 -18.197 9.358 1.00 0.00 C ATOM 1044 CD GLU A 69 5.330 -19.462 9.857 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.322 -19.694 11.084 1.00 0.00 O ATOM 1046 OE2 GLU A 69 5.862 -20.219 9.019 1.00 0.00 O ATOM 0 H GLU A 69 2.600 -17.444 7.574 1.00 0.00 H new ATOM 0 HA GLU A 69 1.596 -16.656 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.278 -18.118 10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.625 -18.840 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.621 -18.215 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.260 -17.334 9.642 1.00 0.00 H new ATOM 1053 N GLU A 70 4.398 -15.068 9.370 1.00 0.00 N ATOM 1054 CA GLU A 70 5.246 -13.970 9.821 1.00 0.00 C ATOM 1055 C GLU A 70 4.605 -12.622 9.501 1.00 0.00 C ATOM 1056 O GLU A 70 4.618 -11.706 10.323 1.00 0.00 O ATOM 1057 CB GLU A 70 6.626 -14.059 9.166 1.00 0.00 C ATOM 1058 CG GLU A 70 7.423 -12.769 9.248 1.00 0.00 C ATOM 1059 CD GLU A 70 8.921 -13.005 9.223 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.361 -14.077 9.689 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.653 -12.118 8.736 1.00 0.00 O ATOM 0 H GLU A 70 4.630 -15.427 8.444 1.00 0.00 H new ATOM 0 HA GLU A 70 5.359 -14.052 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.194 -14.858 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.505 -14.335 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.147 -12.122 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.158 -12.240 10.163 1.00 0.00 H new ATOM 1068 N GLY A 71 4.046 -12.509 8.300 1.00 0.00 N ATOM 1069 CA GLY A 71 3.409 -11.270 7.893 1.00 0.00 C ATOM 1070 C GLY A 71 3.921 -10.767 6.558 1.00 0.00 C ATOM 1071 O GLY A 71 4.374 -9.627 6.450 1.00 0.00 O ATOM 0 H GLY A 71 4.023 -13.253 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.331 -11.422 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.581 -10.509 8.655 1.00 0.00 H new ATOM 1075 N ILE A 72 3.852 -11.618 5.540 1.00 0.00 N ATOM 1076 CA ILE A 72 4.313 -11.253 4.206 1.00 0.00 C ATOM 1077 C ILE A 72 3.158 -11.237 3.211 1.00 0.00 C ATOM 1078 O ILE A 72 2.344 -12.159 3.173 1.00 0.00 O ATOM 1079 CB ILE A 72 5.398 -12.222 3.701 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.484 -12.404 4.763 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.001 -11.711 2.402 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.125 -13.418 5.827 1.00 0.00 C ATOM 0 H ILE A 72 3.481 -12.565 5.613 1.00 0.00 H new ATOM 0 HA ILE A 72 4.738 -10.252 4.281 1.00 0.00 H new ATOM 0 HB ILE A 72 4.938 -13.191 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.409 -12.713 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.680 -11.443 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.766 -12.407 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.220 -11.628 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.450 -10.732 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.941 -13.495 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.217 -13.101 6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.958 -14.390 5.362 1.00 0.00 H new ATOM 1094 N PHE A 73 3.095 -10.183 2.403 1.00 0.00 N ATOM 1095 CA PHE A 73 2.041 -10.046 1.406 1.00 0.00 C ATOM 1096 C PHE A 73 2.625 -9.686 0.043 1.00 0.00 C ATOM 1097 O PHE A 73 3.837 -9.534 -0.103 1.00 0.00 O ATOM 1098 CB PHE A 73 1.033 -8.980 1.840 1.00 0.00 C ATOM 1099 CG PHE A 73 1.665 -7.656 2.164 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.313 -7.460 3.373 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.610 -6.607 1.260 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.894 -6.243 3.674 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.190 -5.388 1.555 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.833 -5.206 2.764 1.00 0.00 C ATOM 0 H PHE A 73 3.762 -9.412 2.420 1.00 0.00 H new ATOM 0 HA PHE A 73 1.530 -11.005 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.300 -8.839 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.490 -9.339 2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.365 -8.268 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.108 -6.744 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.395 -6.103 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.141 -4.579 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.287 -4.254 2.997 1.00 0.00 H new ATOM 1114 N GLU A 74 1.752 -9.551 -0.951 1.00 0.00 N ATOM 1115 CA GLU A 74 2.182 -9.210 -2.302 1.00 0.00 C ATOM 1116 C GLU A 74 1.106 -8.409 -3.030 1.00 0.00 C ATOM 1117 O GLU A 74 -0.074 -8.762 -2.997 1.00 0.00 O ATOM 1118 CB GLU A 74 2.511 -10.478 -3.093 1.00 0.00 C ATOM 1119 CG GLU A 74 3.961 -10.913 -2.969 1.00 0.00 C ATOM 1120 CD GLU A 74 4.131 -12.416 -3.081 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.217 -13.150 -2.651 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.178 -12.858 -3.598 1.00 0.00 O ATOM 0 H GLU A 74 0.745 -9.672 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 74 3.079 -8.596 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.867 -11.288 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.279 -10.310 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.550 -10.426 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.357 -10.577 -2.011 1.00 0.00 H new ATOM 1129 N ILE A 75 1.520 -7.330 -3.684 1.00 0.00 N ATOM 1130 CA ILE A 75 0.592 -6.480 -4.420 1.00 0.00 C ATOM 1131 C ILE A 75 0.712 -6.706 -5.923 1.00 0.00 C ATOM 1132 O ILE A 75 1.606 -6.164 -6.574 1.00 0.00 O ATOM 1133 CB ILE A 75 0.833 -4.989 -4.116 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.745 -4.732 -2.610 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.172 -4.127 -4.865 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.784 -3.265 -2.244 1.00 0.00 C ATOM 0 H ILE A 75 2.492 -7.023 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.412 -6.752 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 75 1.835 -4.722 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.178 -5.169 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.569 -5.244 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.011 -3.076 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.066 -4.293 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.182 -4.394 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.717 -3.158 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.718 -2.827 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.056 -2.751 -2.712 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.194 -7.510 -6.469 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.194 -7.807 -7.896 1.00 0.00 C ATOM 1150 C LYS A 76 -0.867 -6.688 -8.685 1.00 0.00 C ATOM 1151 O LYS A 76 -2.063 -6.438 -8.532 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.907 -9.134 -8.162 1.00 0.00 C ATOM 1153 CG LYS A 76 0.021 -10.336 -8.157 1.00 0.00 C ATOM 1154 CD LYS A 76 0.253 -10.854 -6.747 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.805 -11.870 -6.346 1.00 0.00 C ATOM 1156 NZ LYS A 76 -2.159 -11.481 -6.830 1.00 0.00 N ATOM 0 H LYS A 76 -0.939 -7.968 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 76 0.842 -7.887 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.680 -9.279 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.411 -9.079 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.405 -11.129 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.975 -10.062 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.240 -11.311 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.243 -10.020 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.542 -12.847 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.822 -11.968 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.849 -12.207 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.428 -10.568 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.146 -11.396 -7.866 1.00 0.00 H new ATOM 1170 N THR A 77 -0.092 -6.017 -9.532 1.00 0.00 N ATOM 1171 CA THR A 77 -0.613 -4.926 -10.345 1.00 0.00 C ATOM 1172 C THR A 77 -0.305 -5.145 -11.822 1.00 0.00 C ATOM 1173 O THR A 77 0.654 -5.826 -12.186 1.00 0.00 O ATOM 1174 CB THR A 77 -0.029 -3.570 -9.906 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.400 -3.646 -9.852 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.572 -3.163 -8.544 1.00 0.00 C ATOM 0 H THR A 77 0.900 -6.211 -9.672 1.00 0.00 H new ATOM 0 HA THR A 77 -1.693 -4.912 -10.200 1.00 0.00 H new ATOM 0 HB THR A 77 -0.325 -2.818 -10.637 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.667 -4.322 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.146 -2.202 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.657 -3.077 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.302 -3.917 -7.805 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.134 -4.554 -12.694 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.969 -4.669 -14.146 1.00 0.00 C ATOM 1186 C PRO A 78 0.256 -3.916 -14.652 1.00 0.00 C ATOM 1187 O PRO A 78 0.480 -3.814 -15.858 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.250 -4.039 -14.700 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.700 -3.099 -13.636 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.297 -3.727 -12.330 1.00 0.00 C ATOM 0 HA PRO A 78 -0.816 -5.702 -14.458 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.060 -3.515 -15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.007 -4.796 -14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.236 -2.120 -13.758 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.779 -2.948 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.038 -2.974 -11.585 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.102 -4.329 -11.908 1.00 0.00 H new ATOM 1198 N SER A 79 1.048 -3.391 -13.722 1.00 0.00 N ATOM 1199 CA SER A 79 2.250 -2.644 -14.074 1.00 0.00 C ATOM 1200 C SER A 79 3.502 -3.377 -13.603 1.00 0.00 C ATOM 1201 O SER A 79 4.437 -3.590 -14.374 1.00 0.00 O ATOM 1202 CB SER A 79 2.203 -1.243 -13.461 1.00 0.00 C ATOM 1203 OG SER A 79 3.477 -0.624 -13.508 1.00 0.00 O ATOM 0 H SER A 79 0.879 -3.469 -12.719 1.00 0.00 H new ATOM 0 HA SER A 79 2.289 -2.556 -15.160 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.478 -0.632 -13.998 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.863 -1.306 -12.427 1.00 0.00 H new ATOM 0 HG SER A 79 3.421 0.271 -13.112 1.00 0.00 H new ATOM 1209 N ARG A 80 3.512 -3.759 -12.330 1.00 0.00 N ATOM 1210 CA ARG A 80 4.649 -4.466 -11.754 1.00 0.00 C ATOM 1211 C ARG A 80 4.282 -5.078 -10.405 1.00 0.00 C ATOM 1212 O ARG A 80 3.695 -4.416 -9.550 1.00 0.00 O ATOM 1213 CB ARG A 80 5.837 -3.517 -11.588 1.00 0.00 C ATOM 1214 CG ARG A 80 5.682 -2.543 -10.432 1.00 0.00 C ATOM 1215 CD ARG A 80 6.953 -1.739 -10.206 1.00 0.00 C ATOM 1216 NE ARG A 80 7.997 -2.534 -9.566 1.00 0.00 N ATOM 1217 CZ ARG A 80 9.121 -2.018 -9.081 1.00 0.00 C ATOM 1218 NH1 ARG A 80 9.345 -0.714 -9.163 1.00 0.00 N ATOM 1219 NH2 ARG A 80 10.024 -2.807 -8.512 1.00 0.00 N ATOM 0 H ARG A 80 2.746 -3.591 -11.678 1.00 0.00 H new ATOM 0 HA ARG A 80 4.927 -5.270 -12.436 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.742 -4.105 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.973 -2.953 -12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.853 -1.865 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.431 -3.091 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.318 -1.363 -11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.727 -0.871 -9.587 1.00 0.00 H new ATOM 0 HE ARG A 80 7.856 -3.541 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.653 -0.104 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.209 -0.320 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.855 -3.811 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.887 -2.409 -8.140 1.00 0.00 H new ATOM 1233 N VAL A 81 4.632 -6.348 -10.222 1.00 0.00 N ATOM 1234 CA VAL A 81 4.340 -7.049 -8.978 1.00 0.00 C ATOM 1235 C VAL A 81 5.264 -6.587 -7.856 1.00 0.00 C ATOM 1236 O VAL A 81 6.487 -6.613 -7.996 1.00 0.00 O ATOM 1237 CB VAL A 81 4.479 -8.574 -9.147 1.00 0.00 C ATOM 1238 CG1 VAL A 81 4.127 -9.290 -7.852 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.606 -9.064 -10.292 1.00 0.00 C ATOM 0 H VAL A 81 5.118 -6.911 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 81 3.309 -6.812 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 81 5.517 -8.802 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.231 -10.366 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.799 -8.960 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.098 -9.058 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.716 -10.143 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.563 -8.824 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.912 -8.576 -11.217 1.00 0.00 H new ATOM 1249 N ILE A 82 4.671 -6.165 -6.745 1.00 0.00 N ATOM 1250 CA ILE A 82 5.441 -5.699 -5.598 1.00 0.00 C ATOM 1251 C ILE A 82 5.332 -6.672 -4.430 1.00 0.00 C ATOM 1252 O ILE A 82 4.273 -7.252 -4.186 1.00 0.00 O ATOM 1253 CB ILE A 82 4.974 -4.306 -5.136 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.048 -3.309 -6.295 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.817 -3.827 -3.964 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.462 -2.986 -6.725 1.00 0.00 C ATOM 0 H ILE A 82 3.660 -6.136 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 82 6.481 -5.637 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 82 3.937 -4.377 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.501 -3.713 -7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.546 -2.387 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.475 -2.841 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.719 -4.528 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.862 -3.768 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.438 -2.274 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.007 -2.552 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.961 -3.899 -7.049 1.00 0.00 H new ATOM 1268 N THR A 83 6.434 -6.847 -3.707 1.00 0.00 N ATOM 1269 CA THR A 83 6.463 -7.750 -2.563 1.00 0.00 C ATOM 1270 C THR A 83 6.909 -7.022 -1.300 1.00 0.00 C ATOM 1271 O THR A 83 8.092 -6.726 -1.127 1.00 0.00 O ATOM 1272 CB THR A 83 7.403 -8.944 -2.814 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.119 -9.532 -4.088 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.251 -9.991 -1.721 1.00 0.00 C ATOM 0 H THR A 83 7.319 -6.375 -3.894 1.00 0.00 H new ATOM 0 HA THR A 83 5.447 -8.120 -2.426 1.00 0.00 H new ATOM 0 HB THR A 83 8.430 -8.578 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.722 -10.289 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.925 -10.825 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.497 -9.548 -0.756 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.223 -10.352 -1.703 1.00 0.00 H new ATOM 1282 N LEU A 84 5.956 -6.737 -0.420 1.00 0.00 N ATOM 1283 CA LEU A 84 6.251 -6.044 0.830 1.00 0.00 C ATOM 1284 C LEU A 84 5.775 -6.858 2.029 1.00 0.00 C ATOM 1285 O LEU A 84 4.797 -7.600 1.941 1.00 0.00 O ATOM 1286 CB LEU A 84 5.589 -4.665 0.840 1.00 0.00 C ATOM 1287 CG LEU A 84 5.630 -3.892 -0.479 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.863 -2.584 -0.355 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.069 -3.630 -0.899 1.00 0.00 C ATOM 0 H LEU A 84 4.972 -6.975 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 84 7.332 -5.922 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.547 -4.786 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.069 -4.059 1.608 1.00 0.00 H new ATOM 0 HG LEU A 84 5.152 -4.499 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.903 -2.047 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.824 -2.794 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.312 -1.972 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.079 -3.079 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.572 -3.044 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.589 -4.579 -1.029 1.00 0.00 H new ATOM 1301 N LYS A 85 6.472 -6.711 3.151 1.00 0.00 N ATOM 1302 CA LYS A 85 6.119 -7.429 4.370 1.00 0.00 C ATOM 1303 C LYS A 85 5.794 -6.456 5.499 1.00 0.00 C ATOM 1304 O LYS A 85 6.206 -5.297 5.470 1.00 0.00 O ATOM 1305 CB LYS A 85 7.265 -8.352 4.792 1.00 0.00 C ATOM 1306 CG LYS A 85 8.528 -7.610 5.194 1.00 0.00 C ATOM 1307 CD LYS A 85 9.502 -8.521 5.922 1.00 0.00 C ATOM 1308 CE LYS A 85 10.313 -7.756 6.957 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.654 -7.762 8.292 1.00 0.00 N ATOM 0 H LYS A 85 7.285 -6.101 3.241 1.00 0.00 H new ATOM 0 HA LYS A 85 5.233 -8.030 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.935 -8.969 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.497 -9.028 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.008 -7.199 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.268 -6.768 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.953 -9.326 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.175 -8.986 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.306 -8.198 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.449 -6.727 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.237 -7.231 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.717 -7.317 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.547 -8.742 8.622 1.00 0.00 H new ATOM 1323 N ALA A 86 5.055 -6.937 6.493 1.00 0.00 N ATOM 1324 CA ALA A 86 4.678 -6.111 7.633 1.00 0.00 C ATOM 1325 C ALA A 86 5.291 -6.643 8.924 1.00 0.00 C ATOM 1326 O ALA A 86 5.915 -7.703 8.934 1.00 0.00 O ATOM 1327 CB ALA A 86 3.163 -6.040 7.757 1.00 0.00 C ATOM 0 H ALA A 86 4.706 -7.894 6.532 1.00 0.00 H new ATOM 0 HA ALA A 86 5.065 -5.106 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.897 -5.420 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.744 -5.606 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.762 -7.044 7.898 1.00 0.00 H new ATOM 1333 N ALA A 87 5.110 -5.900 10.011 1.00 0.00 N ATOM 1334 CA ALA A 87 5.644 -6.298 11.307 1.00 0.00 C ATOM 1335 C ALA A 87 5.337 -7.762 11.601 1.00 0.00 C ATOM 1336 O ALA A 87 6.232 -8.607 11.608 1.00 0.00 O ATOM 1337 CB ALA A 87 5.083 -5.408 12.405 1.00 0.00 C ATOM 0 H ALA A 87 4.597 -5.018 10.019 1.00 0.00 H new ATOM 0 HA ALA A 87 6.727 -6.180 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.491 -5.717 13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.359 -4.372 12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.997 -5.497 12.426 1.00 0.00 H new ATOM 1343 N THR A 88 4.063 -8.057 11.844 1.00 0.00 N ATOM 1344 CA THR A 88 3.638 -9.419 12.141 1.00 0.00 C ATOM 1345 C THR A 88 2.408 -9.801 11.325 1.00 0.00 C ATOM 1346 O THR A 88 1.886 -8.995 10.555 1.00 0.00 O ATOM 1347 CB THR A 88 3.321 -9.595 13.638 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.308 -8.665 14.038 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.569 -9.387 14.483 1.00 0.00 C ATOM 0 H THR A 88 3.308 -7.371 11.841 1.00 0.00 H new ATOM 0 HA THR A 88 4.467 -10.074 11.873 1.00 0.00 H new ATOM 0 HB THR A 88 2.961 -10.612 13.793 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.111 -8.785 14.991 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.321 -9.516 15.536 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.328 -10.115 14.197 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.954 -8.380 14.322 1.00 0.00 H new ATOM 1357 N LYS A 89 1.948 -11.035 11.500 1.00 0.00 N ATOM 1358 CA LYS A 89 0.777 -11.525 10.781 1.00 0.00 C ATOM 1359 C LYS A 89 -0.391 -10.554 10.919 1.00 0.00 C ATOM 1360 O LYS A 89 -1.220 -10.435 10.017 1.00 0.00 O ATOM 1361 CB LYS A 89 0.372 -12.904 11.305 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.970 -13.384 10.779 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.814 -14.176 9.492 1.00 0.00 C ATOM 1364 CE LYS A 89 -2.163 -14.598 8.930 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.969 -13.427 8.486 1.00 0.00 N ATOM 0 H LYS A 89 2.368 -11.715 12.134 1.00 0.00 H new ATOM 0 HA LYS A 89 1.037 -11.606 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.140 -13.627 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.336 -12.874 12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.456 -14.004 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.620 -12.527 10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.284 -13.573 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.204 -15.060 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.011 -15.274 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.715 -15.153 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.895 -13.443 8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.470 -12.549 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.106 -13.470 7.456 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.449 -9.861 12.052 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.515 -8.900 12.306 1.00 0.00 C ATOM 1381 C GLN A 90 -1.255 -7.590 11.569 1.00 0.00 C ATOM 1382 O GLN A 90 -2.174 -6.979 11.025 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.647 -8.637 13.807 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.374 -7.343 14.136 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.547 -7.135 15.628 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.886 -7.785 16.438 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.438 -6.223 15.999 1.00 0.00 N ATOM 0 H GLN A 90 0.230 -9.947 12.808 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.448 -9.325 11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.178 -9.470 14.268 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.652 -8.608 14.251 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.820 -6.503 13.718 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.353 -7.349 13.658 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.964 -5.707 15.293 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.596 -6.038 16.990 1.00 0.00 H new ATOM 1396 N ALA A 91 0.004 -7.165 11.556 1.00 0.00 N ATOM 1397 CA ALA A 91 0.386 -5.929 10.885 1.00 0.00 C ATOM 1398 C ALA A 91 -0.157 -5.887 9.461 1.00 0.00 C ATOM 1399 O ALA A 91 -0.985 -5.040 9.127 1.00 0.00 O ATOM 1400 CB ALA A 91 1.900 -5.777 10.879 1.00 0.00 C ATOM 0 H ALA A 91 0.777 -7.659 12.003 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.049 -5.096 11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.171 -4.849 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.267 -5.753 11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.348 -6.620 10.353 1.00 0.00 H new ATOM 1406 N MET A 92 0.315 -6.806 8.625 1.00 0.00 N ATOM 1407 CA MET A 92 -0.124 -6.873 7.236 1.00 0.00 C ATOM 1408 C MET A 92 -1.647 -6.857 7.146 1.00 0.00 C ATOM 1409 O MET A 92 -2.225 -6.101 6.365 1.00 0.00 O ATOM 1410 CB MET A 92 0.425 -8.134 6.566 1.00 0.00 C ATOM 1411 CG MET A 92 -0.010 -9.422 7.246 1.00 0.00 C ATOM 1412 SD MET A 92 -1.551 -10.076 6.575 1.00 0.00 S ATOM 1413 CE MET A 92 -1.157 -11.820 6.461 1.00 0.00 C ATOM 0 H MET A 92 1.001 -7.514 8.885 1.00 0.00 H new ATOM 0 HA MET A 92 0.262 -5.996 6.716 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.099 -8.154 5.526 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.514 -8.087 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.776 -10.169 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.131 -9.241 8.314 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.037 -12.371 6.129 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.347 -11.964 5.746 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.847 -12.188 7.439 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.291 -7.697 7.950 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.748 -7.779 7.961 1.00 0.00 C ATOM 1425 C LEU A 93 -4.372 -6.388 8.001 1.00 0.00 C ATOM 1426 O LEU A 93 -5.406 -6.142 7.380 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.223 -8.598 9.163 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.241 -10.116 8.975 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.499 -10.814 10.301 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -5.290 -10.514 7.947 1.00 0.00 C ATOM 0 H LEU A 93 -1.828 -8.330 8.602 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.066 -8.273 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.582 -8.365 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.230 -8.272 9.425 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.264 -10.429 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.508 -11.893 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.711 -10.554 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.463 -10.495 10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.288 -11.597 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.273 -10.188 8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.061 -10.042 6.992 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.735 -5.481 8.734 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.228 -4.114 8.855 1.00 0.00 C ATOM 1444 C TYR A 94 -4.045 -3.351 7.546 1.00 0.00 C ATOM 1445 O TYR A 94 -4.891 -2.544 7.162 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.502 -3.386 9.988 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.652 -1.883 9.936 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.894 -1.282 10.100 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.551 -1.062 9.724 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.036 0.091 10.052 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.683 0.312 9.676 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.927 0.884 9.841 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.064 2.252 9.794 1.00 0.00 O ATOM 0 H TYR A 94 -2.877 -5.668 9.253 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.293 -4.158 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.882 -3.748 10.943 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.442 -3.638 9.950 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.764 -1.900 10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.575 -1.506 9.595 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.009 0.541 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.817 0.935 9.510 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.188 2.663 9.639 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.935 -3.614 6.866 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.640 -2.953 5.600 1.00 0.00 C ATOM 1465 C TRP A 95 -3.545 -3.475 4.490 1.00 0.00 C ATOM 1466 O TRP A 95 -4.159 -2.697 3.759 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.173 -3.163 5.221 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.266 -2.089 5.739 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.414 -2.091 6.924 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.060 -0.855 5.090 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.142 -0.933 7.050 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.942 -0.158 5.938 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.307 -0.272 3.874 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.461 1.091 5.608 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.209 0.968 3.548 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.085 1.638 4.411 1.00 0.00 C ATOM 0 H TRP A 95 -2.225 -4.280 7.170 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.826 -1.886 5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.840 -4.127 5.606 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.089 -3.207 4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.384 -2.886 7.654 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.735 -0.689 7.843 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.981 -0.781 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.136 1.610 6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.068 1.428 2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.472 2.605 4.126 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.623 -4.796 4.368 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.455 -5.422 3.346 1.00 0.00 C ATOM 1489 C LEU A 96 -5.915 -5.012 3.506 1.00 0.00 C ATOM 1490 O LEU A 96 -6.579 -4.657 2.532 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.329 -6.945 3.422 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.906 -7.498 3.509 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.928 -9.016 3.597 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.083 -7.042 2.313 1.00 0.00 C ATOM 0 H LEU A 96 -3.120 -5.454 4.964 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.107 -5.083 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.886 -7.292 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.811 -7.374 2.543 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.440 -7.109 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.907 -9.392 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.481 -9.321 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.412 -9.425 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.073 -7.445 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.547 -7.401 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.039 -5.953 2.296 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.407 -5.062 4.739 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.789 -4.694 5.026 1.00 0.00 C ATOM 1508 C GLN A 97 -8.031 -3.218 4.731 1.00 0.00 C ATOM 1509 O GLN A 97 -8.967 -2.865 4.015 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.127 -4.997 6.486 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.491 -4.481 6.914 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.607 -5.462 6.613 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.503 -6.276 5.695 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.684 -5.390 7.387 1.00 0.00 N ATOM 0 H GLN A 97 -5.870 -5.354 5.556 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.438 -5.286 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.090 -6.075 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.363 -4.555 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.476 -4.270 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.694 -3.538 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.728 -4.700 8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.467 -6.025 7.232 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.182 -2.361 5.289 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.306 -0.922 5.086 1.00 0.00 C ATOM 1525 C GLN A 98 -7.114 -0.561 3.616 1.00 0.00 C ATOM 1526 O GLN A 98 -8.022 -0.034 2.973 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.283 -0.175 5.944 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.726 0.021 7.385 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.168 0.475 7.496 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.450 1.670 7.584 1.00 0.00 O ATOM 1531 NE2 GLN A 98 -9.091 -0.480 7.490 1.00 0.00 N ATOM 0 H GLN A 98 -6.402 -2.638 5.885 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.310 -0.623 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.342 -0.724 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.088 0.800 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.601 -0.915 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.080 0.757 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.812 -1.458 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.079 -0.235 7.560 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.928 -0.848 3.091 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.617 -0.553 1.697 1.00 0.00 C ATOM 1542 C LEU A 99 -6.831 -0.794 0.806 1.00 0.00 C ATOM 1543 O LEU A 99 -7.115 -0.008 -0.097 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.444 -1.412 1.223 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.067 -1.026 1.766 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.035 -2.082 1.402 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.648 0.337 1.237 1.00 0.00 C ATOM 0 H LEU A 99 -5.166 -1.285 3.610 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.341 0.499 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.644 -2.448 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.407 -1.373 0.134 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.129 -0.968 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.062 -1.791 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.328 -3.040 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.975 -2.173 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.666 0.595 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.603 0.307 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.374 1.087 1.549 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.544 -1.885 1.068 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.728 -2.228 0.290 1.00 0.00 C ATOM 1561 C GLN A 100 -9.777 -1.125 0.379 1.00 0.00 C ATOM 1562 O GLN A 100 -10.284 -0.653 -0.638 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.320 -3.552 0.779 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.598 -4.777 0.240 1.00 0.00 C ATOM 1565 CD GLN A 100 -8.955 -6.042 0.995 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -8.236 -6.460 1.904 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -10.069 -6.660 0.622 1.00 0.00 N ATOM 0 H GLN A 100 -7.322 -2.546 1.813 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.428 -2.335 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.291 -3.573 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.369 -3.601 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.845 -4.905 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.522 -4.615 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.635 -6.278 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.359 -7.516 1.094 1.00 0.00 H new ATOM 1576 N MET A 101 -10.098 -0.718 1.603 1.00 0.00 N ATOM 1577 CA MET A 101 -11.086 0.331 1.825 1.00 0.00 C ATOM 1578 C MET A 101 -10.932 1.449 0.799 1.00 0.00 C ATOM 1579 O MET A 101 -11.914 1.914 0.220 1.00 0.00 O ATOM 1580 CB MET A 101 -10.950 0.898 3.239 1.00 0.00 C ATOM 1581 CG MET A 101 -11.387 -0.070 4.327 1.00 0.00 C ATOM 1582 SD MET A 101 -13.102 -0.594 4.142 1.00 0.00 S ATOM 1583 CE MET A 101 -12.882 -2.300 3.641 1.00 0.00 C ATOM 0 H MET A 101 -9.688 -1.099 2.456 1.00 0.00 H new ATOM 0 HA MET A 101 -12.077 -0.108 1.711 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.911 1.179 3.410 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.544 1.809 3.315 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.739 -0.947 4.310 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.258 0.402 5.301 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.857 -2.763 3.487 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.313 -2.336 2.712 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.342 -2.841 4.418 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.693 1.877 0.578 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.409 2.940 -0.378 1.00 0.00 C ATOM 1595 C LYS A 102 -9.876 2.551 -1.778 1.00 0.00 C ATOM 1596 O LYS A 102 -10.598 3.303 -2.433 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.911 3.251 -0.397 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.321 3.482 0.984 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.889 4.735 1.630 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.501 4.830 3.097 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.500 4.166 3.980 1.00 0.00 N ATOM 0 H LYS A 102 -8.869 1.503 1.049 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.954 3.831 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.383 2.426 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.740 4.137 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.527 2.619 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.237 3.570 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.527 5.615 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.975 4.732 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.524 4.370 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.406 5.878 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.199 4.253 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.427 4.621 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.572 3.160 3.727 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.459 1.372 -2.229 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.835 0.884 -3.551 1.00 0.00 C ATOM 1617 C ARG A 103 -11.308 0.487 -3.585 1.00 0.00 C ATOM 1618 O ARG A 103 -12.109 1.098 -4.292 1.00 0.00 O ATOM 1619 CB ARG A 103 -8.964 -0.311 -3.943 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.488 -1.078 -5.146 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.851 -2.455 -5.249 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.724 -3.412 -5.923 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.633 -4.728 -5.764 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.713 -5.239 -4.958 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.463 -5.535 -6.412 1.00 0.00 N ATOM 0 H ARG A 103 -8.861 0.738 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.677 1.690 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.955 0.041 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.890 -0.990 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.570 -1.181 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.285 -0.513 -6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.909 -2.379 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.615 -2.821 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.443 -3.051 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.073 -4.622 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.645 -6.250 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.172 -5.145 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.392 -6.545 -6.289 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.656 -0.540 -2.818 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.032 -1.019 -2.762 1.00 0.00 C ATOM 1641 C TRP A 104 -14.016 0.146 -2.783 1.00 0.00 C ATOM 1642 O TRP A 104 -14.987 0.135 -3.538 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.249 -1.863 -1.504 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.691 -1.993 -1.118 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.584 -2.916 -1.584 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.407 -1.174 -0.188 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.812 -2.718 -0.999 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.729 -1.656 -0.138 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -15.059 -0.080 0.610 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.701 -1.082 0.677 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -16.024 0.490 1.418 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.332 -0.012 1.447 1.00 0.00 C ATOM 0 H TRP A 104 -11.005 -1.057 -2.227 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.211 -1.637 -3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.832 -2.857 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.697 -1.417 -0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.358 -3.687 -2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.650 -3.272 -1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.053 0.313 0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.710 -1.467 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.766 1.336 2.037 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -18.064 0.455 2.090 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.757 1.149 -1.949 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.621 2.321 -1.873 1.00 0.00 C ATOM 1665 C GLU A 105 -14.987 2.818 -3.269 1.00 0.00 C ATOM 1666 O GLU A 105 -16.159 3.039 -3.574 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.934 3.438 -1.085 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.160 3.352 0.415 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.133 4.141 1.205 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.931 5.333 0.893 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -12.532 3.564 2.136 1.00 0.00 O ATOM 0 H GLU A 105 -12.957 1.173 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.537 2.033 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.863 3.407 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.297 4.401 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.158 3.723 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.127 2.307 0.725 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.975 2.993 -4.112 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.189 3.466 -5.475 1.00 0.00 C ATOM 1680 C PHE A 106 -15.057 2.487 -6.260 1.00 0.00 C ATOM 1681 O PHE A 106 -15.769 2.877 -7.186 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.848 3.660 -6.186 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.947 3.583 -7.683 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.757 4.463 -8.383 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.231 2.630 -8.390 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.850 4.395 -9.761 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.320 2.558 -9.767 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.131 3.441 -10.453 1.00 0.00 C ATOM 0 H PHE A 106 -12.999 2.815 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.707 4.424 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.434 4.629 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.147 2.902 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -14.322 5.211 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.596 1.936 -7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.484 5.087 -10.295 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.756 1.812 -10.307 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.203 3.385 -11.529 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.992 1.214 -5.884 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.772 0.178 -6.552 1.00 0.00 C ATOM 1700 C HIS A 107 -17.203 0.149 -6.022 1.00 0.00 C ATOM 1701 O HIS A 107 -17.960 -0.780 -6.303 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.116 -1.189 -6.359 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.891 -1.389 -7.197 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.888 -1.255 -8.569 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.623 -1.712 -6.849 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.672 -1.490 -9.029 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.885 -1.769 -8.005 1.00 0.00 N ATOM 0 H HIS A 107 -14.407 0.875 -5.120 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.802 0.410 -7.617 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -14.852 -1.311 -5.309 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -15.841 -1.968 -6.598 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.698 -1.012 -9.140 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.260 -1.891 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.372 -1.459 -10.066 1.00 0.00 H new