USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=25 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 97 GLN : amide:sc= -0.0434 K(o=-0.1,f=-1.1) USER MOD Set 1.2: A 101 MET CE :methyl -139:sc= -0.0591 (180deg=-0.225) USER MOD Set 2.1: A 89 LYS NZ :NH3+ -129:sc= -0.219 (180deg=-1.04) USER MOD Set 2.2: A 92 MET CE :methyl 179:sc= -1.19 (180deg=-1.02) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 178:sc= 0.203 (180deg=-0.014) USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= 0.218 USER MOD Set 4.1: A 39 GLN : amide:sc= -0.0471 X(o=-0.047,f=0.36) USER MOD Set 4.2: A 54 SER OG : rot 170:sc= 0 USER MOD Set 5.1: A 33 TYR OH : rot 165:sc= -0.129 USER MOD Set 5.2: A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.311 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 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 41 TYR OH : rot 180:sc= -0.0911 USER MOD Single : A 43 SER OG : rot 180:sc= -0.928 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 27:sc= 0.0339 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= -0.172 (180deg=-1.98) USER MOD Single : A 77 THR OG1 : rot -60:sc= -1.03 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.221 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= -0.0946 K(o=-0.095,f=-1.9!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.636 F(o=-1.3!,f=-0.64) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.473 6.317 6.474 1.00 0.00 N ATOM 111 CA LEU A 10 -2.851 4.999 6.421 1.00 0.00 C ATOM 112 C LEU A 10 -1.383 5.106 6.018 1.00 0.00 C ATOM 113 O LEU A 10 -1.065 5.369 4.858 1.00 0.00 O ATOM 114 CB LEU A 10 -3.598 4.100 5.434 1.00 0.00 C ATOM 115 CG LEU A 10 -2.905 2.788 5.064 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.053 1.772 6.186 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.469 2.235 3.764 1.00 0.00 C ATOM 0 HA LEU A 10 -2.905 4.559 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.575 3.865 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.773 4.666 4.519 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.843 2.988 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.554 0.845 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.601 2.166 7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.111 1.576 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.964 1.301 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.537 2.050 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.311 2.957 2.963 1.00 0.00 H new ATOM 129 N CYS A 11 -0.494 4.898 6.983 1.00 0.00 N ATOM 130 CA CYS A 11 0.941 4.970 6.729 1.00 0.00 C ATOM 131 C CYS A 11 1.689 3.916 7.538 1.00 0.00 C ATOM 132 O CYS A 11 1.147 3.341 8.480 1.00 0.00 O ATOM 133 CB CYS A 11 1.471 6.364 7.070 1.00 0.00 C ATOM 134 SG CYS A 11 1.516 6.723 8.841 1.00 0.00 S ATOM 0 H CYS A 11 -0.741 4.678 7.948 1.00 0.00 H new ATOM 0 HA CYS A 11 1.108 4.775 5.670 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.477 6.468 6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.848 7.109 6.575 1.00 0.00 H new ATOM 0 HG CYS A 11 1.980 7.923 9.029 1.00 0.00 H new ATOM 140 N GLY A 12 2.940 3.666 7.161 1.00 0.00 N ATOM 141 CA GLY A 12 3.742 2.680 7.861 1.00 0.00 C ATOM 142 C GLY A 12 5.008 2.322 7.107 1.00 0.00 C ATOM 143 O GLY A 12 5.098 2.532 5.897 1.00 0.00 O ATOM 0 H GLY A 12 3.411 4.129 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.006 3.064 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.149 1.779 8.018 1.00 0.00 H new ATOM 147 N TYR A 13 5.987 1.781 7.823 1.00 0.00 N ATOM 148 CA TYR A 13 7.255 1.396 7.214 1.00 0.00 C ATOM 149 C TYR A 13 7.246 -0.078 6.822 1.00 0.00 C ATOM 150 O TYR A 13 6.938 -0.948 7.637 1.00 0.00 O ATOM 151 CB TYR A 13 8.411 1.672 8.177 1.00 0.00 C ATOM 152 CG TYR A 13 8.830 3.124 8.221 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.214 4.019 9.088 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.839 3.603 7.395 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.592 5.347 9.131 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.224 4.929 7.432 1.00 0.00 C ATOM 157 CZ TYR A 13 9.598 5.797 8.302 1.00 0.00 C ATOM 158 OH TYR A 13 9.978 7.119 8.341 1.00 0.00 O ATOM 0 H TYR A 13 5.927 1.599 8.825 1.00 0.00 H new ATOM 0 HA TYR A 13 7.392 1.992 6.312 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.121 1.356 9.179 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.268 1.064 7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.426 3.670 9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.331 2.927 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.102 6.029 9.810 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.011 5.284 6.783 1.00 0.00 H new ATOM 0 HH TYR A 13 10.700 7.271 7.696 1.00 0.00 H new ATOM 168 N LEU A 14 7.587 -0.352 5.567 1.00 0.00 N ATOM 169 CA LEU A 14 7.620 -1.721 5.064 1.00 0.00 C ATOM 170 C LEU A 14 8.969 -2.033 4.424 1.00 0.00 C ATOM 171 O LEU A 14 9.745 -1.130 4.116 1.00 0.00 O ATOM 172 CB LEU A 14 6.497 -1.939 4.049 1.00 0.00 C ATOM 173 CG LEU A 14 5.076 -1.694 4.557 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.065 -1.917 3.443 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.771 -2.596 5.744 1.00 0.00 C ATOM 0 H LEU A 14 7.845 0.356 4.879 1.00 0.00 H new ATOM 0 HA LEU A 14 7.474 -2.396 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.674 -1.285 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.559 -2.964 3.683 1.00 0.00 H new ATOM 0 HG LEU A 14 5.002 -0.657 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.059 -1.738 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.270 -1.230 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.140 -2.943 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.755 -2.408 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.864 -3.639 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.475 -2.388 6.549 1.00 0.00 H new ATOM 187 N SER A 15 9.239 -3.319 4.224 1.00 0.00 N ATOM 188 CA SER A 15 10.494 -3.752 3.621 1.00 0.00 C ATOM 189 C SER A 15 10.300 -4.090 2.146 1.00 0.00 C ATOM 190 O SER A 15 9.719 -5.120 1.804 1.00 0.00 O ATOM 191 CB SER A 15 11.050 -4.967 4.366 1.00 0.00 C ATOM 192 OG SER A 15 11.858 -4.569 5.460 1.00 0.00 O ATOM 0 H SER A 15 8.605 -4.079 4.471 1.00 0.00 H new ATOM 0 HA SER A 15 11.207 -2.931 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.227 -5.586 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.636 -5.580 3.681 1.00 0.00 H new ATOM 0 HG SER A 15 12.200 -5.364 5.921 1.00 0.00 H new ATOM 198 N LYS A 16 10.791 -3.215 1.275 1.00 0.00 N ATOM 199 CA LYS A 16 10.675 -3.419 -0.164 1.00 0.00 C ATOM 200 C LYS A 16 11.611 -4.528 -0.634 1.00 0.00 C ATOM 201 O LYS A 16 12.820 -4.469 -0.412 1.00 0.00 O ATOM 202 CB LYS A 16 10.989 -2.121 -0.911 1.00 0.00 C ATOM 203 CG LYS A 16 10.920 -2.257 -2.422 1.00 0.00 C ATOM 204 CD LYS A 16 9.522 -1.967 -2.945 1.00 0.00 C ATOM 205 CE LYS A 16 9.363 -2.418 -4.388 1.00 0.00 C ATOM 206 NZ LYS A 16 10.262 -1.667 -5.307 1.00 0.00 N ATOM 0 H LYS A 16 11.274 -2.357 1.541 1.00 0.00 H new ATOM 0 HA LYS A 16 9.649 -3.717 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.289 -1.349 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.986 -1.782 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.631 -1.572 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.216 -3.265 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.786 -2.474 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.319 -0.898 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.578 -3.484 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.328 -2.280 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.148 -2.027 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.018 -0.656 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.249 -1.792 -5.005 1.00 0.00 H new ATOM 220 N PHE A 17 11.044 -5.538 -1.286 1.00 0.00 N ATOM 221 CA PHE A 17 11.828 -6.660 -1.788 1.00 0.00 C ATOM 222 C PHE A 17 12.523 -6.296 -3.097 1.00 0.00 C ATOM 223 O PHE A 17 11.976 -5.563 -3.920 1.00 0.00 O ATOM 224 CB PHE A 17 10.933 -7.883 -1.996 1.00 0.00 C ATOM 225 CG PHE A 17 11.695 -9.135 -2.324 1.00 0.00 C ATOM 226 CD1 PHE A 17 12.844 -9.465 -1.624 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.261 -9.982 -3.331 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.548 -10.616 -1.924 1.00 0.00 C ATOM 229 CE2 PHE A 17 11.960 -11.135 -3.635 1.00 0.00 C ATOM 230 CZ PHE A 17 13.105 -11.453 -2.930 1.00 0.00 C ATOM 0 H PHE A 17 10.044 -5.602 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 17 12.590 -6.898 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.345 -8.051 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.228 -7.675 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.194 -8.816 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.366 -9.738 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.444 -10.861 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.612 -11.787 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.652 -12.354 -3.165 1.00 0.00 H new ATOM 347 N TRP A 26 15.679 -7.823 1.004 1.00 0.00 N ATOM 348 CA TRP A 26 14.766 -6.847 1.588 1.00 0.00 C ATOM 349 C TRP A 26 15.468 -5.513 1.816 1.00 0.00 C ATOM 350 O TRP A 26 16.688 -5.461 1.975 1.00 0.00 O ATOM 351 CB TRP A 26 14.201 -7.373 2.909 1.00 0.00 C ATOM 352 CG TRP A 26 13.391 -8.624 2.752 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.821 -9.907 2.934 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.011 -8.710 2.380 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.792 -10.786 2.697 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.670 -10.077 2.356 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.030 -7.766 2.066 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.391 -10.519 2.030 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.761 -8.207 1.742 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.450 -9.573 1.727 1.00 0.00 C ATOM 0 HA TRP A 26 13.946 -6.689 0.888 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.024 -7.566 3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.580 -6.601 3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.823 -10.189 3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.853 -11.802 2.764 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.259 -6.711 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.150 -11.572 2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.996 -7.486 1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.448 -9.885 1.471 1.00 0.00 H new ATOM 371 N LYS A 27 14.691 -4.435 1.832 1.00 0.00 N ATOM 372 CA LYS A 27 15.238 -3.100 2.043 1.00 0.00 C ATOM 373 C LYS A 27 14.247 -2.219 2.797 1.00 0.00 C ATOM 374 O LYS A 27 13.080 -2.118 2.419 1.00 0.00 O ATOM 375 CB LYS A 27 15.593 -2.455 0.702 1.00 0.00 C ATOM 376 CG LYS A 27 16.897 -2.960 0.109 1.00 0.00 C ATOM 377 CD LYS A 27 17.264 -2.205 -1.158 1.00 0.00 C ATOM 378 CE LYS A 27 18.563 -2.721 -1.758 1.00 0.00 C ATOM 379 NZ LYS A 27 19.238 -1.687 -2.589 1.00 0.00 N ATOM 0 H LYS A 27 13.680 -4.460 1.701 1.00 0.00 H new ATOM 0 HA LYS A 27 16.142 -3.195 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.786 -2.641 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.658 -1.375 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.697 -2.853 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.809 -4.024 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.460 -2.304 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.362 -1.143 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.232 -3.038 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.357 -3.600 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.119 -2.077 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.610 -1.403 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.457 -0.858 -2.001 1.00 0.00 H new ATOM 393 N SER A 28 14.721 -1.583 3.864 1.00 0.00 N ATOM 394 CA SER A 28 13.876 -0.712 4.672 1.00 0.00 C ATOM 395 C SER A 28 13.420 0.502 3.868 1.00 0.00 C ATOM 396 O SER A 28 14.237 1.314 3.432 1.00 0.00 O ATOM 397 CB SER A 28 14.627 -0.256 5.924 1.00 0.00 C ATOM 398 OG SER A 28 14.969 -1.359 6.744 1.00 0.00 O ATOM 0 H SER A 28 15.685 -1.655 4.189 1.00 0.00 H new ATOM 0 HA SER A 28 12.995 -1.279 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.531 0.280 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.009 0.443 6.488 1.00 0.00 H new ATOM 0 HG SER A 28 15.450 -1.041 7.537 1.00 0.00 H new ATOM 404 N ARG A 29 12.111 0.619 3.674 1.00 0.00 N ATOM 405 CA ARG A 29 11.545 1.732 2.922 1.00 0.00 C ATOM 406 C ARG A 29 10.313 2.293 3.625 1.00 0.00 C ATOM 407 O ARG A 29 9.667 1.603 4.413 1.00 0.00 O ATOM 408 CB ARG A 29 11.179 1.284 1.506 1.00 0.00 C ATOM 409 CG ARG A 29 11.227 2.405 0.481 1.00 0.00 C ATOM 410 CD ARG A 29 12.657 2.726 0.072 1.00 0.00 C ATOM 411 NE ARG A 29 13.190 1.744 -0.869 1.00 0.00 N ATOM 412 CZ ARG A 29 14.482 1.626 -1.154 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.368 2.423 -0.573 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.890 0.709 -2.021 1.00 0.00 N ATOM 0 H ARG A 29 11.422 -0.044 4.028 1.00 0.00 H new ATOM 0 HA ARG A 29 12.297 2.519 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.861 0.491 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.177 0.856 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.651 2.119 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.757 3.297 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.691 3.717 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.289 2.759 0.959 1.00 0.00 H new ATOM 0 HE ARG A 29 12.534 1.115 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.058 3.129 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.359 2.330 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.211 0.094 -2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.882 0.619 -2.239 1.00 0.00 H new ATOM 428 N TRP A 30 9.993 3.549 3.334 1.00 0.00 N ATOM 429 CA TRP A 30 8.838 4.203 3.938 1.00 0.00 C ATOM 430 C TRP A 30 7.648 4.195 2.986 1.00 0.00 C ATOM 431 O TRP A 30 7.722 4.731 1.880 1.00 0.00 O ATOM 432 CB TRP A 30 9.186 5.641 4.328 1.00 0.00 C ATOM 433 CG TRP A 30 7.982 6.496 4.580 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.596 7.598 3.870 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.008 6.321 5.614 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.440 8.118 4.402 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.059 7.353 5.472 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.844 5.393 6.646 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.965 7.480 6.324 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.758 5.521 7.491 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.829 6.557 7.325 1.00 0.00 C ATOM 0 H TRP A 30 10.517 4.135 2.684 1.00 0.00 H new ATOM 0 HA TRP A 30 8.565 3.647 4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.807 5.627 5.224 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.782 6.091 3.534 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.122 8.001 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.946 8.941 4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.553 4.590 6.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.249 8.279 6.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.623 4.810 8.293 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.989 6.628 8.000 1.00 0.00 H new ATOM 452 N PHE A 31 6.551 3.585 3.421 1.00 0.00 N ATOM 453 CA PHE A 31 5.344 3.507 2.606 1.00 0.00 C ATOM 454 C PHE A 31 4.230 4.363 3.201 1.00 0.00 C ATOM 455 O PHE A 31 4.012 4.363 4.413 1.00 0.00 O ATOM 456 CB PHE A 31 4.878 2.055 2.484 1.00 0.00 C ATOM 457 CG PHE A 31 5.726 1.229 1.560 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.941 0.717 1.986 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.307 0.963 0.266 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.724 -0.043 1.137 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.086 0.204 -0.587 1.00 0.00 C ATOM 462 CZ PHE A 31 7.295 -0.301 -0.150 1.00 0.00 C ATOM 0 H PHE A 31 6.473 3.137 4.334 1.00 0.00 H new ATOM 0 HA PHE A 31 5.581 3.889 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.880 1.597 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.848 2.041 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.280 0.914 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.361 1.353 -0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.670 -0.435 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.750 0.006 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.904 -0.897 -0.814 1.00 0.00 H new ATOM 472 N PHE A 32 3.527 5.091 2.340 1.00 0.00 N ATOM 473 CA PHE A 32 2.435 5.953 2.780 1.00 0.00 C ATOM 474 C PHE A 32 1.394 6.117 1.677 1.00 0.00 C ATOM 475 O PHE A 32 1.731 6.390 0.525 1.00 0.00 O ATOM 476 CB PHE A 32 2.975 7.323 3.195 1.00 0.00 C ATOM 477 CG PHE A 32 3.276 8.226 2.033 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.254 8.881 1.364 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.581 8.419 1.609 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.528 9.713 0.295 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.860 9.250 0.540 1.00 0.00 C ATOM 482 CZ PHE A 32 3.833 9.897 -0.118 1.00 0.00 C ATOM 0 H PHE A 32 3.693 5.102 1.334 1.00 0.00 H new ATOM 0 HA PHE A 32 1.957 5.483 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.247 7.810 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.883 7.184 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.232 8.740 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.389 7.915 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.723 10.219 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.881 9.393 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.050 10.546 -0.954 1.00 0.00 H new ATOM 492 N TYR A 33 0.127 5.946 2.038 1.00 0.00 N ATOM 493 CA TYR A 33 -0.965 6.072 1.079 1.00 0.00 C ATOM 494 C TYR A 33 -1.411 7.525 0.949 1.00 0.00 C ATOM 495 O TYR A 33 -1.456 8.263 1.934 1.00 0.00 O ATOM 496 CB TYR A 33 -2.147 5.200 1.504 1.00 0.00 C ATOM 497 CG TYR A 33 -3.452 5.586 0.846 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.105 6.763 1.191 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.033 4.774 -0.121 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.298 7.121 0.593 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.225 5.124 -0.725 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.853 6.298 -0.365 1.00 0.00 C ATOM 503 OH TYR A 33 -7.041 6.650 -0.964 1.00 0.00 O ATOM 0 H TYR A 33 -0.169 5.720 2.987 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.603 5.734 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.924 4.160 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.263 5.262 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.672 7.410 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.544 3.854 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.793 8.039 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.663 4.482 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.176 6.106 -1.768 1.00 0.00 H new ATOM 513 N ASP A 34 -1.741 7.928 -0.273 1.00 0.00 N ATOM 514 CA ASP A 34 -2.186 9.292 -0.533 1.00 0.00 C ATOM 515 C ASP A 34 -3.697 9.342 -0.738 1.00 0.00 C ATOM 516 O ASP A 34 -4.256 8.545 -1.490 1.00 0.00 O ATOM 517 CB ASP A 34 -1.474 9.858 -1.763 1.00 0.00 C ATOM 518 CG ASP A 34 -1.565 11.369 -1.842 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.692 11.900 -1.757 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.510 12.021 -1.990 1.00 0.00 O ATOM 0 H ASP A 34 -1.709 7.330 -1.099 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.935 9.901 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.425 9.561 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.909 9.423 -2.663 1.00 0.00 H new ATOM 525 N GLU A 35 -4.350 10.281 -0.062 1.00 0.00 N ATOM 526 CA GLU A 35 -5.797 10.432 -0.168 1.00 0.00 C ATOM 527 C GLU A 35 -6.158 11.507 -1.189 1.00 0.00 C ATOM 528 O GLU A 35 -7.251 12.071 -1.152 1.00 0.00 O ATOM 529 CB GLU A 35 -6.397 10.785 1.194 1.00 0.00 C ATOM 530 CG GLU A 35 -5.690 11.936 1.891 1.00 0.00 C ATOM 531 CD GLU A 35 -6.607 12.705 2.821 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.399 12.062 3.541 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.532 13.952 2.830 1.00 0.00 O ATOM 0 H GLU A 35 -3.901 10.949 0.565 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.212 9.482 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.448 11.041 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.361 9.905 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.845 11.548 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.285 12.616 1.142 1.00 0.00 H new ATOM 540 N ARG A 36 -5.230 11.786 -2.100 1.00 0.00 N ATOM 541 CA ARG A 36 -5.449 12.794 -3.130 1.00 0.00 C ATOM 542 C ARG A 36 -5.651 12.142 -4.495 1.00 0.00 C ATOM 543 O ARG A 36 -6.578 12.484 -5.228 1.00 0.00 O ATOM 544 CB ARG A 36 -4.267 13.763 -3.185 1.00 0.00 C ATOM 545 CG ARG A 36 -4.043 14.525 -1.889 1.00 0.00 C ATOM 546 CD ARG A 36 -3.173 15.753 -2.108 1.00 0.00 C ATOM 547 NE ARG A 36 -3.319 16.727 -1.030 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.612 17.848 -0.952 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.714 18.136 -1.884 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.802 18.685 0.060 1.00 0.00 N ATOM 0 H ARG A 36 -4.320 11.328 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.352 13.348 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.363 13.206 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.430 14.477 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.004 14.828 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.571 13.869 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.129 15.449 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.438 16.220 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.002 16.536 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.565 17.496 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.172 18.998 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.492 18.467 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.258 19.546 0.119 1.00 0.00 H new ATOM 564 N LYS A 37 -4.775 11.200 -4.829 1.00 0.00 N ATOM 565 CA LYS A 37 -4.855 10.498 -6.105 1.00 0.00 C ATOM 566 C LYS A 37 -5.246 9.038 -5.899 1.00 0.00 C ATOM 567 O LYS A 37 -5.324 8.266 -6.856 1.00 0.00 O ATOM 568 CB LYS A 37 -3.516 10.580 -6.841 1.00 0.00 C ATOM 569 CG LYS A 37 -3.012 12.000 -7.030 1.00 0.00 C ATOM 570 CD LYS A 37 -1.973 12.080 -8.137 1.00 0.00 C ATOM 571 CE LYS A 37 -1.198 13.388 -8.080 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.600 13.735 -9.399 1.00 0.00 N ATOM 0 H LYS A 37 -4.001 10.905 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.624 10.980 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.771 10.010 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.618 10.107 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.850 12.656 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.579 12.361 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.282 11.242 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.464 11.989 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.863 14.190 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.409 13.310 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.080 14.632 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.054 12.981 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.355 13.834 -10.107 1.00 0.00 H new ATOM 586 N CYS A 38 -5.493 8.667 -4.648 1.00 0.00 N ATOM 587 CA CYS A 38 -5.877 7.300 -4.318 1.00 0.00 C ATOM 588 C CYS A 38 -4.804 6.311 -4.763 1.00 0.00 C ATOM 589 O CYS A 38 -5.091 5.347 -5.472 1.00 0.00 O ATOM 590 CB CYS A 38 -7.213 6.950 -4.974 1.00 0.00 C ATOM 591 SG CYS A 38 -8.654 7.636 -4.124 1.00 0.00 S ATOM 0 H CYS A 38 -5.434 9.294 -3.846 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.983 7.231 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.206 7.310 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.312 5.865 -5.016 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.736 7.287 -4.754 1.00 0.00 H new ATOM 597 N GLN A 39 -3.567 6.559 -4.343 1.00 0.00 N ATOM 598 CA GLN A 39 -2.451 5.691 -4.701 1.00 0.00 C ATOM 599 C GLN A 39 -1.550 5.439 -3.497 1.00 0.00 C ATOM 600 O GLN A 39 -1.713 6.060 -2.446 1.00 0.00 O ATOM 601 CB GLN A 39 -1.640 6.312 -5.840 1.00 0.00 C ATOM 602 CG GLN A 39 -2.382 6.347 -7.167 1.00 0.00 C ATOM 603 CD GLN A 39 -1.457 6.575 -8.346 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.493 7.629 -8.983 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.621 5.587 -8.643 1.00 0.00 N ATOM 0 H GLN A 39 -3.313 7.353 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.858 4.736 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.360 7.328 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.715 5.749 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.916 5.407 -7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.131 7.138 -7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.625 4.731 -8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.026 5.684 -9.426 1.00 0.00 H new ATOM 614 N LEU A 40 -0.599 4.526 -3.658 1.00 0.00 N ATOM 615 CA LEU A 40 0.330 4.191 -2.583 1.00 0.00 C ATOM 616 C LEU A 40 1.739 4.673 -2.912 1.00 0.00 C ATOM 617 O LEU A 40 2.437 4.071 -3.729 1.00 0.00 O ATOM 618 CB LEU A 40 0.338 2.680 -2.342 1.00 0.00 C ATOM 619 CG LEU A 40 1.196 2.192 -1.174 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.588 2.623 0.151 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.353 0.679 -1.225 1.00 0.00 C ATOM 0 H LEU A 40 -0.450 4.004 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.004 4.695 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.688 2.353 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.684 2.189 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 40 2.185 2.643 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.212 2.267 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.528 3.711 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.412 2.201 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.966 0.348 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.371 0.209 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.834 0.394 -2.161 1.00 0.00 H new ATOM 633 N TYR A 41 2.152 5.759 -2.269 1.00 0.00 N ATOM 634 CA TYR A 41 3.479 6.322 -2.493 1.00 0.00 C ATOM 635 C TYR A 41 4.436 5.921 -1.375 1.00 0.00 C ATOM 636 O TYR A 41 4.065 5.902 -0.201 1.00 0.00 O ATOM 637 CB TYR A 41 3.399 7.846 -2.590 1.00 0.00 C ATOM 638 CG TYR A 41 2.575 8.337 -3.759 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.198 8.480 -3.652 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.176 8.659 -4.970 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.441 8.927 -4.718 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.427 9.108 -6.041 1.00 0.00 C ATOM 643 CZ TYR A 41 1.061 9.240 -5.910 1.00 0.00 C ATOM 644 OH TYR A 41 0.311 9.687 -6.973 1.00 0.00 O ATOM 0 H TYR A 41 1.588 6.267 -1.588 1.00 0.00 H new ATOM 0 HA TYR A 41 3.861 5.925 -3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.974 8.238 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.408 8.250 -2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.710 8.238 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.246 8.557 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.629 9.031 -4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.909 9.354 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 41 0.899 9.864 -7.737 1.00 0.00 H new ATOM 654 N TYR A 42 5.670 5.602 -1.749 1.00 0.00 N ATOM 655 CA TYR A 42 6.682 5.199 -0.779 1.00 0.00 C ATOM 656 C TYR A 42 8.045 5.781 -1.142 1.00 0.00 C ATOM 657 O TYR A 42 8.399 5.879 -2.317 1.00 0.00 O ATOM 658 CB TYR A 42 6.770 3.674 -0.706 1.00 0.00 C ATOM 659 CG TYR A 42 7.412 3.044 -1.921 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.779 3.158 -2.146 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.653 2.337 -2.845 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.370 2.585 -3.255 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.236 1.760 -3.956 1.00 0.00 C ATOM 664 CZ TYR A 42 8.595 1.887 -4.157 1.00 0.00 C ATOM 665 OH TYR A 42 9.179 1.315 -5.264 1.00 0.00 O ATOM 0 H TYR A 42 5.994 5.615 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 42 6.389 5.586 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.338 3.394 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.767 3.266 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.389 3.704 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.589 2.237 -2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.434 2.683 -3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.631 1.212 -4.664 1.00 0.00 H new ATOM 0 HH TYR A 42 8.494 0.859 -5.797 1.00 0.00 H new ATOM 675 N SER A 43 8.807 6.164 -0.122 1.00 0.00 N ATOM 676 CA SER A 43 10.131 6.739 -0.331 1.00 0.00 C ATOM 677 C SER A 43 11.137 6.163 0.661 1.00 0.00 C ATOM 678 O SER A 43 10.764 5.469 1.607 1.00 0.00 O ATOM 679 CB SER A 43 10.076 8.262 -0.194 1.00 0.00 C ATOM 680 OG SER A 43 11.154 8.876 -0.880 1.00 0.00 O ATOM 0 H SER A 43 8.530 6.087 0.857 1.00 0.00 H new ATOM 0 HA SER A 43 10.456 6.484 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.131 8.632 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.108 8.537 0.860 1.00 0.00 H new ATOM 0 HG SER A 43 11.095 9.849 -0.778 1.00 0.00 H new ATOM 686 N ARG A 44 12.413 6.457 0.437 1.00 0.00 N ATOM 687 CA ARG A 44 13.474 5.968 1.310 1.00 0.00 C ATOM 688 C ARG A 44 13.191 6.330 2.765 1.00 0.00 C ATOM 689 O ARG A 44 13.479 5.555 3.678 1.00 0.00 O ATOM 690 CB ARG A 44 14.823 6.548 0.883 1.00 0.00 C ATOM 691 CG ARG A 44 14.735 7.968 0.348 1.00 0.00 C ATOM 692 CD ARG A 44 16.090 8.657 0.370 1.00 0.00 C ATOM 693 NE ARG A 44 16.816 8.476 -0.885 1.00 0.00 N ATOM 694 CZ ARG A 44 17.769 9.299 -1.307 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.110 10.353 -0.579 1.00 0.00 N ATOM 696 NH2 ARG A 44 18.384 9.068 -2.460 1.00 0.00 N ATOM 0 H ARG A 44 12.738 7.031 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 44 13.509 4.882 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.502 6.532 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.258 5.907 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.351 7.950 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.025 8.540 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.952 9.722 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.685 8.261 1.193 1.00 0.00 H new ATOM 0 HE ARG A 44 16.578 7.674 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.640 10.534 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.842 10.983 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.125 8.258 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.116 9.701 -2.783 1.00 0.00 H new ATOM 710 N THR A 45 12.625 7.515 2.976 1.00 0.00 N ATOM 711 CA THR A 45 12.304 7.981 4.319 1.00 0.00 C ATOM 712 C THR A 45 11.095 8.909 4.305 1.00 0.00 C ATOM 713 O THR A 45 10.679 9.386 3.249 1.00 0.00 O ATOM 714 CB THR A 45 13.496 8.719 4.957 1.00 0.00 C ATOM 715 OG1 THR A 45 13.620 10.030 4.393 1.00 0.00 O ATOM 716 CG2 THR A 45 14.789 7.946 4.743 1.00 0.00 C ATOM 0 H THR A 45 12.380 8.169 2.233 1.00 0.00 H new ATOM 0 HA THR A 45 12.073 7.097 4.913 1.00 0.00 H new ATOM 0 HB THR A 45 13.312 8.800 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.379 10.493 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.616 8.487 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.703 6.960 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.975 7.837 3.675 1.00 0.00 H new ATOM 787 N PRO A 51 7.978 11.321 -3.211 1.00 0.00 N ATOM 788 CA PRO A 51 7.930 9.856 -3.179 1.00 0.00 C ATOM 789 C PRO A 51 8.736 9.224 -4.309 1.00 0.00 C ATOM 790 O PRO A 51 8.656 9.657 -5.459 1.00 0.00 O ATOM 791 CB PRO A 51 6.440 9.546 -3.347 1.00 0.00 C ATOM 792 CG PRO A 51 5.886 10.728 -4.065 1.00 0.00 C ATOM 793 CD PRO A 51 6.684 11.912 -3.591 1.00 0.00 C ATOM 0 HA PRO A 51 8.363 9.454 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.288 8.629 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.954 9.405 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.974 10.605 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.827 10.858 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.799 12.660 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.205 12.407 -2.746 1.00 0.00 H new ATOM 801 N LEU A 52 9.511 8.199 -3.974 1.00 0.00 N ATOM 802 CA LEU A 52 10.332 7.507 -4.961 1.00 0.00 C ATOM 803 C LEU A 52 9.470 6.932 -6.080 1.00 0.00 C ATOM 804 O LEU A 52 9.755 7.129 -7.261 1.00 0.00 O ATOM 805 CB LEU A 52 11.133 6.388 -4.293 1.00 0.00 C ATOM 806 CG LEU A 52 12.190 6.831 -3.280 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.772 5.628 -2.555 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.290 7.624 -3.970 1.00 0.00 C ATOM 0 H LEU A 52 9.588 7.829 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 52 11.022 8.231 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.435 5.719 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.626 5.807 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 52 11.712 7.476 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.522 5.963 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.977 5.101 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.235 4.957 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.033 7.931 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.766 7.002 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.860 8.507 -4.442 1.00 0.00 H new ATOM 820 N ASP A 53 8.413 6.223 -5.700 1.00 0.00 N ATOM 821 CA ASP A 53 7.506 5.622 -6.671 1.00 0.00 C ATOM 822 C ASP A 53 6.099 5.495 -6.095 1.00 0.00 C ATOM 823 O ASP A 53 5.885 5.706 -4.901 1.00 0.00 O ATOM 824 CB ASP A 53 8.021 4.247 -7.100 1.00 0.00 C ATOM 825 CG ASP A 53 7.191 3.638 -8.212 1.00 0.00 C ATOM 826 OD1 ASP A 53 7.473 3.932 -9.393 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.259 2.867 -7.902 1.00 0.00 O ATOM 0 H ASP A 53 8.163 6.050 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 53 7.464 6.274 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.056 4.337 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.018 3.577 -6.240 1.00 0.00 H new ATOM 832 N SER A 54 5.143 5.149 -6.952 1.00 0.00 N ATOM 833 CA SER A 54 3.756 4.999 -6.529 1.00 0.00 C ATOM 834 C SER A 54 3.112 3.789 -7.199 1.00 0.00 C ATOM 835 O SER A 54 3.549 3.350 -8.263 1.00 0.00 O ATOM 836 CB SER A 54 2.960 6.263 -6.859 1.00 0.00 C ATOM 837 OG SER A 54 2.388 6.182 -8.154 1.00 0.00 O ATOM 0 H SER A 54 5.304 4.968 -7.943 1.00 0.00 H new ATOM 0 HA SER A 54 3.746 4.844 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.173 6.405 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.613 7.134 -6.800 1.00 0.00 H new ATOM 0 HG SER A 54 1.757 6.921 -8.280 1.00 0.00 H new ATOM 843 N ILE A 55 2.071 3.256 -6.568 1.00 0.00 N ATOM 844 CA ILE A 55 1.366 2.098 -7.103 1.00 0.00 C ATOM 845 C ILE A 55 -0.141 2.328 -7.113 1.00 0.00 C ATOM 846 O ILE A 55 -0.731 2.687 -6.094 1.00 0.00 O ATOM 847 CB ILE A 55 1.674 0.826 -6.290 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.183 0.577 -6.244 1.00 0.00 C ATOM 849 CG2 ILE A 55 0.953 -0.372 -6.888 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.903 1.422 -5.216 1.00 0.00 C ATOM 0 H ILE A 55 1.697 3.607 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 55 1.717 1.960 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 55 1.317 0.969 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.363 -0.476 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.606 0.777 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.181 -1.263 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.122 -0.194 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.283 -0.519 -7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.968 1.193 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.754 2.477 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.506 1.205 -4.224 1.00 0.00 H new ATOM 862 N ASP A 56 -0.759 2.119 -8.270 1.00 0.00 N ATOM 863 CA ASP A 56 -2.199 2.301 -8.413 1.00 0.00 C ATOM 864 C ASP A 56 -2.959 1.158 -7.747 1.00 0.00 C ATOM 865 O ASP A 56 -3.053 0.058 -8.294 1.00 0.00 O ATOM 866 CB ASP A 56 -2.579 2.390 -9.892 1.00 0.00 C ATOM 867 CG ASP A 56 -4.059 2.646 -10.094 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.510 3.774 -9.806 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.767 1.718 -10.540 1.00 0.00 O ATOM 0 H ASP A 56 -0.285 1.823 -9.123 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.474 3.233 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.007 3.189 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.302 1.462 -10.392 1.00 0.00 H new ATOM 874 N LEU A 57 -3.500 1.425 -6.564 1.00 0.00 N ATOM 875 CA LEU A 57 -4.253 0.419 -5.822 1.00 0.00 C ATOM 876 C LEU A 57 -5.644 0.230 -6.418 1.00 0.00 C ATOM 877 O LEU A 57 -6.305 -0.778 -6.169 1.00 0.00 O ATOM 878 CB LEU A 57 -4.367 0.822 -4.350 1.00 0.00 C ATOM 879 CG LEU A 57 -3.075 1.293 -3.681 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.381 1.997 -2.368 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.134 0.119 -3.453 1.00 0.00 C ATOM 0 H LEU A 57 -3.432 2.329 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.716 -0.527 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.106 1.619 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.753 -0.030 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.582 2.004 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.450 2.325 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.016 2.862 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.896 1.309 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.220 0.473 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.618 -0.616 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.889 -0.342 -4.410 1.00 0.00 H new ATOM 893 N SER A 58 -6.080 1.204 -7.209 1.00 0.00 N ATOM 894 CA SER A 58 -7.394 1.146 -7.841 1.00 0.00 C ATOM 895 C SER A 58 -7.603 -0.196 -8.536 1.00 0.00 C ATOM 896 O SER A 58 -8.722 -0.702 -8.609 1.00 0.00 O ATOM 897 CB SER A 58 -7.549 2.285 -8.850 1.00 0.00 C ATOM 898 OG SER A 58 -7.905 3.494 -8.203 1.00 0.00 O ATOM 0 H SER A 58 -5.543 2.043 -7.428 1.00 0.00 H new ATOM 0 HA SER A 58 -8.149 1.255 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.615 2.422 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.311 2.024 -9.584 1.00 0.00 H new ATOM 0 HG SER A 58 -7.996 4.207 -8.869 1.00 0.00 H new ATOM 904 N SER A 59 -6.516 -0.767 -9.045 1.00 0.00 N ATOM 905 CA SER A 59 -6.579 -2.049 -9.738 1.00 0.00 C ATOM 906 C SER A 59 -5.501 -2.998 -9.224 1.00 0.00 C ATOM 907 O SER A 59 -5.010 -3.854 -9.959 1.00 0.00 O ATOM 908 CB SER A 59 -6.418 -1.846 -11.246 1.00 0.00 C ATOM 909 OG SER A 59 -7.657 -1.522 -11.852 1.00 0.00 O ATOM 0 H SER A 59 -5.581 -0.362 -8.991 1.00 0.00 H new ATOM 0 HA SER A 59 -7.554 -2.493 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.698 -1.049 -11.434 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.015 -2.753 -11.697 1.00 0.00 H new ATOM 0 HG SER A 59 -7.527 -1.396 -12.815 1.00 0.00 H new ATOM 915 N ALA A 60 -5.138 -2.840 -7.955 1.00 0.00 N ATOM 916 CA ALA A 60 -4.121 -3.683 -7.340 1.00 0.00 C ATOM 917 C ALA A 60 -4.749 -4.697 -6.390 1.00 0.00 C ATOM 918 O ALA A 60 -5.660 -4.369 -5.630 1.00 0.00 O ATOM 919 CB ALA A 60 -3.100 -2.828 -6.604 1.00 0.00 C ATOM 0 H ALA A 60 -5.534 -2.135 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.613 -4.233 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.347 -3.471 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.620 -2.148 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.601 -2.251 -5.827 1.00 0.00 H new ATOM 925 N VAL A 61 -4.256 -5.930 -6.437 1.00 0.00 N ATOM 926 CA VAL A 61 -4.769 -6.992 -5.580 1.00 0.00 C ATOM 927 C VAL A 61 -3.719 -7.437 -4.568 1.00 0.00 C ATOM 928 O VAL A 61 -2.653 -7.930 -4.939 1.00 0.00 O ATOM 929 CB VAL A 61 -5.220 -8.212 -6.405 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.282 -8.437 -7.581 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.293 -9.451 -5.526 1.00 0.00 C ATOM 0 H VAL A 61 -3.501 -6.218 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.630 -6.583 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.217 -8.015 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.616 -9.303 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.285 -7.556 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.272 -8.614 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.613 -10.304 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.310 -9.654 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.008 -9.284 -4.721 1.00 0.00 H new ATOM 941 N PHE A 62 -4.026 -7.260 -3.287 1.00 0.00 N ATOM 942 CA PHE A 62 -3.109 -7.643 -2.221 1.00 0.00 C ATOM 943 C PHE A 62 -3.277 -9.116 -1.861 1.00 0.00 C ATOM 944 O PHE A 62 -4.396 -9.599 -1.683 1.00 0.00 O ATOM 945 CB PHE A 62 -3.341 -6.774 -0.983 1.00 0.00 C ATOM 946 CG PHE A 62 -3.857 -5.400 -1.303 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.029 -4.451 -1.879 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.171 -5.058 -1.027 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.501 -3.186 -2.175 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.649 -3.795 -1.322 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.813 -2.858 -1.895 1.00 0.00 C ATOM 0 H PHE A 62 -4.903 -6.854 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.091 -7.489 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.050 -7.276 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.405 -6.683 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.002 -4.702 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.829 -5.786 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.845 -2.455 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.676 -3.541 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.184 -1.870 -2.124 1.00 0.00 H new ATOM 961 N ASP A 63 -2.158 -9.825 -1.755 1.00 0.00 N ATOM 962 CA ASP A 63 -2.181 -11.243 -1.416 1.00 0.00 C ATOM 963 C ASP A 63 -1.199 -11.548 -0.289 1.00 0.00 C ATOM 964 O ASP A 63 -0.382 -10.703 0.081 1.00 0.00 O ATOM 965 CB ASP A 63 -1.844 -12.088 -2.645 1.00 0.00 C ATOM 966 CG ASP A 63 -2.035 -13.572 -2.398 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.168 -14.063 -2.584 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.052 -14.242 -2.017 1.00 0.00 O ATOM 0 H ASP A 63 -1.224 -9.441 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.186 -11.494 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.473 -11.778 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.811 -11.902 -2.938 1.00 0.00 H new ATOM 973 N CYS A 64 -1.285 -12.757 0.252 1.00 0.00 N ATOM 974 CA CYS A 64 -0.405 -13.173 1.339 1.00 0.00 C ATOM 975 C CYS A 64 0.538 -14.281 0.881 1.00 0.00 C ATOM 976 O CYS A 64 0.151 -15.164 0.117 1.00 0.00 O ATOM 977 CB CYS A 64 -1.229 -13.650 2.536 1.00 0.00 C ATOM 978 SG CYS A 64 -2.302 -15.061 2.178 1.00 0.00 S ATOM 0 H CYS A 64 -1.955 -13.467 -0.044 1.00 0.00 H new ATOM 0 HA CYS A 64 0.193 -12.313 1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.551 -13.919 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.842 -12.823 2.894 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.796 -15.754 1.201 1.00 0.00 H new ATOM 984 N LYS A 65 1.779 -14.226 1.353 1.00 0.00 N ATOM 985 CA LYS A 65 2.779 -15.224 0.993 1.00 0.00 C ATOM 986 C LYS A 65 2.512 -16.545 1.708 1.00 0.00 C ATOM 987 O LYS A 65 1.565 -16.660 2.485 1.00 0.00 O ATOM 988 CB LYS A 65 4.181 -14.718 1.341 1.00 0.00 C ATOM 989 CG LYS A 65 4.836 -13.924 0.224 1.00 0.00 C ATOM 990 CD LYS A 65 5.286 -14.826 -0.913 1.00 0.00 C ATOM 991 CE LYS A 65 6.634 -15.466 -0.616 1.00 0.00 C ATOM 992 NZ LYS A 65 7.765 -14.628 -1.103 1.00 0.00 N ATOM 0 H LYS A 65 2.116 -13.501 1.986 1.00 0.00 H new ATOM 0 HA LYS A 65 2.716 -15.394 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.122 -14.094 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.814 -15.570 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.134 -13.182 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.694 -13.379 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.541 -15.604 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.352 -14.247 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.733 -15.621 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.681 -16.448 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.666 -15.098 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.685 -14.500 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.735 -13.699 -0.636 1.00 0.00 H new ATOM 1006 N ALA A 66 3.354 -17.538 1.439 1.00 0.00 N ATOM 1007 CA ALA A 66 3.210 -18.849 2.059 1.00 0.00 C ATOM 1008 C ALA A 66 3.647 -18.817 3.520 1.00 0.00 C ATOM 1009 O ALA A 66 3.128 -19.563 4.350 1.00 0.00 O ATOM 1010 CB ALA A 66 4.012 -19.888 1.289 1.00 0.00 C ATOM 0 H ALA A 66 4.142 -17.459 0.796 1.00 0.00 H new ATOM 0 HA ALA A 66 2.156 -19.124 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.895 -20.862 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.651 -19.939 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.065 -19.608 1.290 1.00 0.00 H new ATOM 1016 N ASP A 67 4.605 -17.949 3.827 1.00 0.00 N ATOM 1017 CA ASP A 67 5.112 -17.819 5.188 1.00 0.00 C ATOM 1018 C ASP A 67 4.462 -16.636 5.899 1.00 0.00 C ATOM 1019 O ASP A 67 5.104 -15.947 6.691 1.00 0.00 O ATOM 1020 CB ASP A 67 6.632 -17.650 5.175 1.00 0.00 C ATOM 1021 CG ASP A 67 7.357 -18.956 4.919 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.447 -19.778 5.854 1.00 0.00 O ATOM 1023 OD2 ASP A 67 7.837 -19.156 3.783 1.00 0.00 O ATOM 0 H ASP A 67 5.046 -17.325 3.151 1.00 0.00 H new ATOM 0 HA ASP A 67 4.860 -18.730 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.908 -16.928 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.957 -17.238 6.131 1.00 0.00 H new ATOM 1028 N ALA A 68 3.185 -16.407 5.610 1.00 0.00 N ATOM 1029 CA ALA A 68 2.449 -15.308 6.223 1.00 0.00 C ATOM 1030 C ALA A 68 2.578 -15.341 7.742 1.00 0.00 C ATOM 1031 O ALA A 68 2.443 -14.314 8.407 1.00 0.00 O ATOM 1032 CB ALA A 68 0.984 -15.362 5.814 1.00 0.00 C ATOM 0 H ALA A 68 2.639 -16.968 4.956 1.00 0.00 H new ATOM 0 HA ALA A 68 2.880 -14.372 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.446 -14.536 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.906 -15.282 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.550 -16.307 6.140 1.00 0.00 H new ATOM 1038 N GLU A 69 2.839 -16.526 8.284 1.00 0.00 N ATOM 1039 CA GLU A 69 2.984 -16.690 9.726 1.00 0.00 C ATOM 1040 C GLU A 69 3.837 -15.572 10.318 1.00 0.00 C ATOM 1041 O GLU A 69 3.684 -15.213 11.484 1.00 0.00 O ATOM 1042 CB GLU A 69 3.612 -18.049 10.046 1.00 0.00 C ATOM 1043 CG GLU A 69 5.030 -18.203 9.523 1.00 0.00 C ATOM 1044 CD GLU A 69 6.071 -17.701 10.504 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.783 -17.691 11.720 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.173 -17.320 10.058 1.00 0.00 O ATOM 0 H GLU A 69 2.954 -17.386 7.747 1.00 0.00 H new ATOM 0 HA GLU A 69 1.991 -16.641 10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.615 -18.193 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.990 -18.836 9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.220 -19.254 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.128 -17.658 8.584 1.00 0.00 H new ATOM 1053 N GLU A 70 4.736 -15.027 9.504 1.00 0.00 N ATOM 1054 CA GLU A 70 5.614 -13.951 9.947 1.00 0.00 C ATOM 1055 C GLU A 70 4.997 -12.587 9.649 1.00 0.00 C ATOM 1056 O GLU A 70 5.164 -11.638 10.413 1.00 0.00 O ATOM 1057 CB GLU A 70 6.980 -14.064 9.268 1.00 0.00 C ATOM 1058 CG GLU A 70 7.780 -12.772 9.289 1.00 0.00 C ATOM 1059 CD GLU A 70 9.260 -12.998 9.048 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.603 -13.682 8.062 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.074 -12.489 9.847 1.00 0.00 O ATOM 0 H GLU A 70 4.875 -15.313 8.535 1.00 0.00 H new ATOM 0 HA GLU A 70 5.744 -14.044 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.557 -14.847 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.837 -14.376 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.391 -12.096 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.644 -12.280 10.252 1.00 0.00 H new ATOM 1068 N GLY A 71 4.283 -12.499 8.531 1.00 0.00 N ATOM 1069 CA GLY A 71 3.653 -11.249 8.150 1.00 0.00 C ATOM 1070 C GLY A 71 4.165 -10.721 6.824 1.00 0.00 C ATOM 1071 O GLY A 71 4.707 -9.617 6.756 1.00 0.00 O ATOM 0 H GLY A 71 4.130 -13.271 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.574 -11.394 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.830 -10.505 8.927 1.00 0.00 H new ATOM 1075 N ILE A 72 3.996 -11.511 5.769 1.00 0.00 N ATOM 1076 CA ILE A 72 4.446 -11.117 4.440 1.00 0.00 C ATOM 1077 C ILE A 72 3.290 -11.115 3.446 1.00 0.00 C ATOM 1078 O ILE A 72 2.439 -12.005 3.465 1.00 0.00 O ATOM 1079 CB ILE A 72 5.553 -12.052 3.921 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.636 -12.239 4.986 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.155 -11.499 2.638 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.290 -13.286 6.022 1.00 0.00 C ATOM 0 H ILE A 72 3.551 -12.428 5.809 1.00 0.00 H new ATOM 0 HA ILE A 72 4.847 -10.107 4.529 1.00 0.00 H new ATOM 0 HB ILE A 72 5.113 -13.025 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.570 -12.517 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.810 -11.287 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.936 -12.171 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.378 -11.414 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.583 -10.515 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.102 -13.365 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.373 -12.999 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.145 -14.249 5.532 1.00 0.00 H new ATOM 1094 N PHE A 73 3.265 -10.109 2.578 1.00 0.00 N ATOM 1095 CA PHE A 73 2.213 -9.992 1.574 1.00 0.00 C ATOM 1096 C PHE A 73 2.794 -9.590 0.222 1.00 0.00 C ATOM 1097 O PHE A 73 4.000 -9.385 0.090 1.00 0.00 O ATOM 1098 CB PHE A 73 1.168 -8.966 2.018 1.00 0.00 C ATOM 1099 CG PHE A 73 1.756 -7.636 2.396 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.459 -7.486 3.580 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.605 -6.537 1.566 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.000 -6.263 3.930 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.145 -5.312 1.910 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.844 -5.175 3.093 1.00 0.00 C ATOM 0 H PHE A 73 3.960 -9.363 2.549 1.00 0.00 H new ATOM 0 HA PHE A 73 1.735 -10.966 1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.448 -8.820 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.617 -9.366 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.586 -8.334 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.059 -6.639 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.544 -6.158 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.020 -4.463 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.268 -4.219 3.363 1.00 0.00 H new ATOM 1114 N GLU A 74 1.927 -9.480 -0.779 1.00 0.00 N ATOM 1115 CA GLU A 74 2.354 -9.104 -2.122 1.00 0.00 C ATOM 1116 C GLU A 74 1.230 -8.394 -2.871 1.00 0.00 C ATOM 1117 O GLU A 74 0.098 -8.875 -2.914 1.00 0.00 O ATOM 1118 CB GLU A 74 2.802 -10.340 -2.903 1.00 0.00 C ATOM 1119 CG GLU A 74 4.240 -10.746 -2.630 1.00 0.00 C ATOM 1120 CD GLU A 74 4.596 -12.086 -3.244 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.677 -12.908 -3.445 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.791 -12.313 -3.524 1.00 0.00 O ATOM 0 H GLU A 74 0.925 -9.646 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 74 3.196 -8.417 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.145 -11.174 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.684 -10.148 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.910 -9.981 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.403 -10.790 -1.553 1.00 0.00 H new ATOM 1129 N ILE A 75 1.553 -7.247 -3.461 1.00 0.00 N ATOM 1130 CA ILE A 75 0.572 -6.471 -4.209 1.00 0.00 C ATOM 1131 C ILE A 75 0.695 -6.727 -5.707 1.00 0.00 C ATOM 1132 O ILE A 75 1.659 -6.302 -6.344 1.00 0.00 O ATOM 1133 CB ILE A 75 0.726 -4.962 -3.943 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.792 -4.691 -2.439 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.424 -4.193 -4.575 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.787 -3.220 -2.089 1.00 0.00 C ATOM 0 H ILE A 75 2.486 -6.835 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.412 -6.793 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 75 1.657 -4.622 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.056 -5.174 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.695 -5.149 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.301 -3.128 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.429 -4.365 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.367 -4.534 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.836 -3.103 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.650 -2.734 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.128 -2.760 -2.463 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.288 -7.424 -6.266 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.293 -7.736 -7.690 1.00 0.00 C ATOM 1150 C LYS A 76 -0.952 -6.616 -8.489 1.00 0.00 C ATOM 1151 O LYS A 76 -2.125 -6.300 -8.286 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.026 -9.056 -7.942 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.112 -10.269 -7.932 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.836 -11.507 -7.429 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.686 -11.666 -5.923 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.954 -13.063 -5.484 1.00 0.00 N ATOM 0 H LYS A 76 -1.093 -7.784 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 76 0.742 -7.834 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.796 -9.185 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.534 -9.002 -8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.265 -10.450 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.753 -10.069 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.893 -11.441 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.441 -12.390 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.323 -11.379 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.372 -10.988 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.417 -13.263 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.970 -13.179 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.662 -13.724 -6.232 1.00 0.00 H new ATOM 1170 N THR A 77 -0.191 -6.018 -9.401 1.00 0.00 N ATOM 1171 CA THR A 77 -0.701 -4.934 -10.231 1.00 0.00 C ATOM 1172 C THR A 77 -0.409 -5.187 -11.705 1.00 0.00 C ATOM 1173 O THR A 77 0.528 -5.900 -12.064 1.00 0.00 O ATOM 1174 CB THR A 77 -0.091 -3.580 -9.823 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.328 -3.705 -9.678 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.697 -3.085 -8.518 1.00 0.00 C ATOM 0 H THR A 77 0.781 -6.267 -9.583 1.00 0.00 H new ATOM 0 HA THR A 77 -1.780 -4.899 -10.078 1.00 0.00 H new ATOM 0 HB THR A 77 -0.313 -2.856 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.529 -4.365 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.251 -2.127 -8.250 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.773 -2.963 -8.640 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.502 -3.810 -7.728 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.228 -4.588 -12.583 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.076 -4.732 -14.034 1.00 0.00 C ATOM 1186 C PRO A 78 0.167 -4.022 -14.560 1.00 0.00 C ATOM 1187 O PRO A 78 0.408 -3.984 -15.767 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.342 -4.077 -14.590 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.759 -3.106 -13.539 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.365 -3.723 -12.226 1.00 0.00 C ATOM 0 HA PRO A 78 -0.954 -5.774 -14.330 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.145 -3.575 -15.537 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.121 -4.816 -14.777 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.268 -2.143 -13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.833 -2.925 -13.579 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.080 -2.966 -11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.184 -4.295 -11.789 1.00 0.00 H new ATOM 1198 N SER A 79 0.954 -3.461 -13.647 1.00 0.00 N ATOM 1199 CA SER A 79 2.170 -2.749 -14.020 1.00 0.00 C ATOM 1200 C SER A 79 3.407 -3.482 -13.509 1.00 0.00 C ATOM 1201 O SER A 79 4.354 -3.721 -14.259 1.00 0.00 O ATOM 1202 CB SER A 79 2.143 -1.324 -13.464 1.00 0.00 C ATOM 1203 OG SER A 79 1.054 -0.590 -13.997 1.00 0.00 O ATOM 0 H SER A 79 0.771 -3.486 -12.644 1.00 0.00 H new ATOM 0 HA SER A 79 2.217 -2.706 -15.108 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.067 -1.356 -12.377 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.079 -0.819 -13.704 1.00 0.00 H new ATOM 0 HG SER A 79 1.057 0.317 -13.625 1.00 0.00 H new ATOM 1209 N ARG A 80 3.390 -3.837 -12.229 1.00 0.00 N ATOM 1210 CA ARG A 80 4.510 -4.542 -11.616 1.00 0.00 C ATOM 1211 C ARG A 80 4.115 -5.115 -10.259 1.00 0.00 C ATOM 1212 O ARG A 80 3.657 -4.390 -9.376 1.00 0.00 O ATOM 1213 CB ARG A 80 5.706 -3.602 -11.456 1.00 0.00 C ATOM 1214 CG ARG A 80 5.418 -2.395 -10.578 1.00 0.00 C ATOM 1215 CD ARG A 80 6.616 -1.461 -10.505 1.00 0.00 C ATOM 1216 NE ARG A 80 6.643 -0.516 -11.619 1.00 0.00 N ATOM 1217 CZ ARG A 80 5.725 0.426 -11.806 1.00 0.00 C ATOM 1218 NH1 ARG A 80 4.714 0.549 -10.957 1.00 0.00 N ATOM 1219 NH2 ARG A 80 5.818 1.248 -12.843 1.00 0.00 N ATOM 0 H ARG A 80 2.613 -3.648 -11.596 1.00 0.00 H new ATOM 0 HA ARG A 80 4.790 -5.367 -12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.541 -4.159 -11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.021 -3.257 -12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.557 -1.854 -10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.153 -2.728 -9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.590 -0.911 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.534 -2.048 -10.506 1.00 0.00 H new ATOM 0 HE ARG A 80 7.408 -0.583 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.640 -0.080 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.011 1.273 -11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.595 1.157 -13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.113 1.971 -12.986 1.00 0.00 H new ATOM 1233 N VAL A 81 4.294 -6.423 -10.100 1.00 0.00 N ATOM 1234 CA VAL A 81 3.957 -7.094 -8.850 1.00 0.00 C ATOM 1235 C VAL A 81 4.979 -6.780 -7.764 1.00 0.00 C ATOM 1236 O VAL A 81 6.127 -7.220 -7.833 1.00 0.00 O ATOM 1237 CB VAL A 81 3.875 -8.621 -9.037 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.594 -9.308 -7.709 1.00 0.00 C ATOM 1239 CG2 VAL A 81 2.812 -8.975 -10.066 1.00 0.00 C ATOM 0 H VAL A 81 4.670 -7.039 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 81 2.980 -6.720 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 81 4.837 -8.977 -9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.540 -10.386 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.395 -9.081 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.646 -8.950 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.768 -10.058 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.843 -8.607 -9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.063 -8.514 -11.022 1.00 0.00 H new ATOM 1249 N ILE A 82 4.555 -6.017 -6.763 1.00 0.00 N ATOM 1250 CA ILE A 82 5.434 -5.645 -5.661 1.00 0.00 C ATOM 1251 C ILE A 82 5.340 -6.652 -4.519 1.00 0.00 C ATOM 1252 O ILE A 82 4.336 -7.350 -4.372 1.00 0.00 O ATOM 1253 CB ILE A 82 5.098 -4.242 -5.122 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.110 -3.219 -6.259 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.084 -3.844 -4.033 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.482 -2.993 -6.855 1.00 0.00 C ATOM 0 H ILE A 82 3.608 -5.644 -6.692 1.00 0.00 H new ATOM 0 HA ILE A 82 6.450 -5.640 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 82 4.098 -4.264 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.432 -3.553 -7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.724 -2.270 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.834 -2.850 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.031 -4.561 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.094 -3.835 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.414 -2.256 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.159 -2.629 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.863 -3.932 -7.258 1.00 0.00 H new ATOM 1268 N THR A 83 6.393 -6.721 -3.710 1.00 0.00 N ATOM 1269 CA THR A 83 6.429 -7.641 -2.580 1.00 0.00 C ATOM 1270 C THR A 83 6.888 -6.934 -1.310 1.00 0.00 C ATOM 1271 O THR A 83 8.074 -6.649 -1.140 1.00 0.00 O ATOM 1272 CB THR A 83 7.365 -8.833 -2.857 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.010 -9.457 -4.096 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.290 -9.853 -1.731 1.00 0.00 C ATOM 0 H THR A 83 7.232 -6.151 -3.817 1.00 0.00 H new ATOM 0 HA THR A 83 5.413 -8.010 -2.440 1.00 0.00 H new ATOM 0 HB THR A 83 8.386 -8.457 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.611 -10.213 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.959 -10.685 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.588 -9.383 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.268 -10.223 -1.642 1.00 0.00 H new ATOM 1282 N LEU A 84 5.942 -6.655 -0.420 1.00 0.00 N ATOM 1283 CA LEU A 84 6.250 -5.982 0.837 1.00 0.00 C ATOM 1284 C LEU A 84 5.812 -6.827 2.029 1.00 0.00 C ATOM 1285 O LEU A 84 4.858 -7.600 1.939 1.00 0.00 O ATOM 1286 CB LEU A 84 5.565 -4.615 0.887 1.00 0.00 C ATOM 1287 CG LEU A 84 5.550 -3.823 -0.421 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.743 -2.544 -0.262 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.970 -3.508 -0.869 1.00 0.00 C ATOM 0 H LEU A 84 4.956 -6.884 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 84 7.330 -5.843 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.535 -4.759 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.059 -4.011 1.648 1.00 0.00 H new ATOM 0 HG LEU A 84 5.075 -4.434 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.744 -1.994 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.718 -2.792 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.188 -1.928 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.941 -2.944 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.471 -2.916 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.517 -4.438 -1.024 1.00 0.00 H new ATOM 1301 N LYS A 85 6.513 -6.673 3.147 1.00 0.00 N ATOM 1302 CA LYS A 85 6.196 -7.418 4.359 1.00 0.00 C ATOM 1303 C LYS A 85 5.947 -6.473 5.530 1.00 0.00 C ATOM 1304 O LYS A 85 6.457 -5.353 5.555 1.00 0.00 O ATOM 1305 CB LYS A 85 7.333 -8.383 4.701 1.00 0.00 C ATOM 1306 CG LYS A 85 8.625 -7.687 5.092 1.00 0.00 C ATOM 1307 CD LYS A 85 9.750 -8.684 5.316 1.00 0.00 C ATOM 1308 CE LYS A 85 9.772 -9.186 6.752 1.00 0.00 C ATOM 1309 NZ LYS A 85 10.928 -10.089 7.006 1.00 0.00 N ATOM 0 H LYS A 85 7.306 -6.038 3.239 1.00 0.00 H new ATOM 0 HA LYS A 85 5.286 -7.989 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.016 -9.029 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.523 -9.027 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.911 -6.984 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.466 -7.106 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.631 -9.528 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.705 -8.216 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.818 -8.336 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.844 -9.716 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.907 -10.410 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.870 -10.913 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.815 -9.576 6.827 1.00 0.00 H new ATOM 1323 N ALA A 86 5.162 -6.932 6.499 1.00 0.00 N ATOM 1324 CA ALA A 86 4.850 -6.128 7.674 1.00 0.00 C ATOM 1325 C ALA A 86 5.594 -6.639 8.903 1.00 0.00 C ATOM 1326 O ALA A 86 6.340 -7.615 8.827 1.00 0.00 O ATOM 1327 CB ALA A 86 3.350 -6.124 7.927 1.00 0.00 C ATOM 0 H ALA A 86 4.731 -7.856 6.493 1.00 0.00 H new ATOM 0 HA ALA A 86 5.178 -5.106 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.131 -5.520 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.836 -5.704 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.006 -7.145 8.093 1.00 0.00 H new ATOM 1333 N ALA A 87 5.388 -5.973 10.034 1.00 0.00 N ATOM 1334 CA ALA A 87 6.039 -6.361 11.279 1.00 0.00 C ATOM 1335 C ALA A 87 5.609 -7.760 11.710 1.00 0.00 C ATOM 1336 O ALA A 87 6.411 -8.695 11.710 1.00 0.00 O ATOM 1337 CB ALA A 87 5.729 -5.351 12.374 1.00 0.00 C ATOM 0 H ALA A 87 4.775 -5.162 10.114 1.00 0.00 H new ATOM 0 HA ALA A 87 7.115 -6.376 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.222 -5.653 13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.091 -4.367 12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.652 -5.308 12.535 1.00 0.00 H new ATOM 1343 N THR A 88 4.339 -7.897 12.078 1.00 0.00 N ATOM 1344 CA THR A 88 3.804 -9.181 12.513 1.00 0.00 C ATOM 1345 C THR A 88 2.639 -9.618 11.633 1.00 0.00 C ATOM 1346 O THR A 88 2.259 -8.916 10.695 1.00 0.00 O ATOM 1347 CB THR A 88 3.332 -9.125 13.979 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.152 -8.321 14.083 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.420 -8.556 14.876 1.00 0.00 C ATOM 0 H THR A 88 3.662 -7.134 12.083 1.00 0.00 H new ATOM 0 HA THR A 88 4.613 -9.906 12.426 1.00 0.00 H new ATOM 0 HB THR A 88 3.109 -10.141 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.857 -8.292 15.017 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.064 -8.526 15.906 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.307 -9.187 14.817 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.670 -7.547 14.549 1.00 0.00 H new ATOM 1357 N LYS A 89 2.075 -10.781 11.940 1.00 0.00 N ATOM 1358 CA LYS A 89 0.951 -11.312 11.178 1.00 0.00 C ATOM 1359 C LYS A 89 -0.238 -10.358 11.226 1.00 0.00 C ATOM 1360 O LYS A 89 -0.936 -10.172 10.230 1.00 0.00 O ATOM 1361 CB LYS A 89 0.542 -12.682 11.721 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.741 -13.221 11.111 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.468 -13.990 9.829 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.747 -14.570 9.245 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.599 -13.520 8.622 1.00 0.00 N ATOM 0 H LYS A 89 2.378 -11.375 12.712 1.00 0.00 H new ATOM 0 HA LYS A 89 1.266 -11.419 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.348 -13.392 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.419 -12.613 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.240 -13.873 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.421 -12.395 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.000 -13.329 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.239 -14.795 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.496 -15.324 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.309 -15.074 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.568 -13.595 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.214 -12.581 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.611 -13.650 7.590 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.461 -9.756 12.390 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.566 -8.821 12.566 1.00 0.00 C ATOM 1381 C GLN A 90 -1.278 -7.499 11.862 1.00 0.00 C ATOM 1382 O GLN A 90 -2.195 -6.747 11.534 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.821 -8.575 14.054 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.280 -8.306 14.385 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.454 -7.553 15.689 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.493 -7.019 16.244 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.684 -7.507 16.187 1.00 0.00 N ATOM 0 H GLN A 90 0.108 -9.899 13.224 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.457 -9.262 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.483 -9.443 14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.220 -7.726 14.382 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.732 -7.733 13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.816 -9.253 14.443 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.451 -7.964 15.694 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.862 -7.015 17.063 1.00 0.00 H new ATOM 1396 N ALA A 91 0.002 -7.223 11.634 1.00 0.00 N ATOM 1397 CA ALA A 91 0.411 -5.992 10.967 1.00 0.00 C ATOM 1398 C ALA A 91 -0.108 -5.946 9.534 1.00 0.00 C ATOM 1399 O ALA A 91 -0.923 -5.093 9.186 1.00 0.00 O ATOM 1400 CB ALA A 91 1.926 -5.860 10.987 1.00 0.00 C ATOM 0 H ALA A 91 0.773 -7.835 11.901 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.023 -5.152 11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.217 -4.937 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.276 -5.839 12.019 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.372 -6.710 10.470 1.00 0.00 H new ATOM 1406 N MET A 92 0.372 -6.869 8.706 1.00 0.00 N ATOM 1407 CA MET A 92 -0.044 -6.933 7.310 1.00 0.00 C ATOM 1408 C MET A 92 -1.565 -6.968 7.197 1.00 0.00 C ATOM 1409 O MET A 92 -2.158 -6.215 6.424 1.00 0.00 O ATOM 1410 CB MET A 92 0.558 -8.165 6.632 1.00 0.00 C ATOM 1411 CG MET A 92 0.190 -9.474 7.313 1.00 0.00 C ATOM 1412 SD MET A 92 -1.315 -10.206 6.644 1.00 0.00 S ATOM 1413 CE MET A 92 -0.827 -11.925 6.515 1.00 0.00 C ATOM 0 H MET A 92 1.049 -7.582 8.978 1.00 0.00 H new ATOM 0 HA MET A 92 0.319 -6.037 6.807 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.225 -8.198 5.595 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.643 -8.066 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.013 -10.180 7.203 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.061 -9.299 8.381 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.661 -12.512 6.131 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.021 -12.012 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.543 -12.298 7.499 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.191 -7.847 7.972 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.644 -7.981 7.958 1.00 0.00 C ATOM 1425 C LEU A 93 -4.316 -6.612 7.956 1.00 0.00 C ATOM 1426 O LEU A 93 -5.334 -6.409 7.293 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.113 -8.790 9.169 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.008 -10.310 9.041 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.289 -10.979 10.378 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.966 -10.823 7.975 1.00 0.00 C ATOM 0 H LEU A 93 -1.716 -8.477 8.618 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.927 -8.506 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.532 -8.477 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.153 -8.533 9.372 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.991 -10.560 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.210 -12.060 10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.564 -10.636 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.295 -10.721 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.878 -11.907 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.988 -10.561 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.719 -10.369 7.015 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.741 -5.675 8.702 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.285 -4.325 8.786 1.00 0.00 C ATOM 1444 C TYR A 94 -4.117 -3.586 7.462 1.00 0.00 C ATOM 1445 O TYR A 94 -5.043 -2.933 6.981 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.598 -3.545 9.909 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.822 -2.052 9.834 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.088 -1.509 10.019 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.768 -1.183 9.579 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.297 -0.145 9.950 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.968 0.182 9.510 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.234 0.696 9.696 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.439 2.055 9.629 1.00 0.00 O ATOM 0 H TYR A 94 -2.899 -5.826 9.257 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.350 -4.403 9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.962 -3.911 10.869 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.527 -3.745 9.877 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.923 -2.164 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.775 -1.582 9.432 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.288 0.260 10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.137 0.843 9.311 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.589 2.505 9.444 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.929 -3.694 6.878 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.638 -3.037 5.609 1.00 0.00 C ATOM 1465 C TRP A 95 -3.520 -3.590 4.495 1.00 0.00 C ATOM 1466 O TRP A 95 -4.175 -2.835 3.776 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.163 -3.217 5.245 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.284 -2.124 5.774 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.363 -2.103 6.976 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.043 -0.894 5.118 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.073 -0.933 7.108 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.894 -0.175 5.981 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.297 -0.331 3.885 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.405 1.076 5.649 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.211 0.911 3.557 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.055 1.604 4.436 1.00 0.00 C ATOM 0 H TRP A 95 -2.152 -4.230 7.263 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.851 -1.974 5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.814 -4.174 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.066 -3.259 4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.323 -2.890 7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.641 -0.672 7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.946 -0.858 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.055 1.612 6.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.046 1.356 2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.436 2.573 4.150 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.534 -4.911 4.358 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.337 -5.566 3.331 1.00 0.00 C ATOM 1489 C LEU A 96 -5.803 -5.160 3.446 1.00 0.00 C ATOM 1490 O LEU A 96 -6.443 -4.821 2.451 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.206 -7.086 3.444 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.780 -7.632 3.523 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.794 -9.152 3.586 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.959 -7.153 2.334 1.00 0.00 C ATOM 0 H LEU A 96 -2.998 -5.550 4.945 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.966 -5.248 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.748 -7.413 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.700 -7.538 2.584 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.316 -7.255 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.771 -9.523 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.346 -9.474 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.276 -9.549 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.947 -7.551 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.420 -7.501 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.921 -6.064 2.333 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.328 -5.197 4.667 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.718 -4.831 4.911 1.00 0.00 C ATOM 1508 C GLN A 97 -7.960 -3.361 4.587 1.00 0.00 C ATOM 1509 O GLN A 97 -8.864 -3.025 3.822 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.093 -5.113 6.367 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.453 -4.561 6.763 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.595 -5.463 6.337 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.471 -6.688 6.345 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.717 -4.860 5.962 1.00 0.00 N ATOM 0 H GLN A 97 -5.812 -5.476 5.501 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.346 -5.436 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.085 -6.190 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.332 -4.684 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.485 -4.426 7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.586 -3.576 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.776 -3.842 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.520 -5.415 5.665 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.146 -2.489 5.175 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.273 -1.054 4.949 1.00 0.00 C ATOM 1525 C GLN A 98 -7.079 -0.716 3.474 1.00 0.00 C ATOM 1526 O GLN A 98 -7.997 -0.228 2.812 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.255 -0.291 5.797 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.672 -0.132 7.251 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.123 0.279 7.400 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.017 -0.703 7.418 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.438 1.465 7.499 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.393 -2.751 5.811 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.279 -0.753 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.298 -0.811 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.099 0.696 5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.509 -1.073 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.036 0.614 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.718 2.187 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.419 1.725 7.600 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.881 -0.978 2.965 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.566 -0.701 1.568 1.00 0.00 C ATOM 1542 C LEU A 99 -6.786 -0.924 0.680 1.00 0.00 C ATOM 1543 O LEU A 99 -7.042 -0.152 -0.244 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.411 -1.588 1.099 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.023 -1.214 1.620 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.023 -2.318 1.316 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.564 0.105 1.016 1.00 0.00 C ATOM 0 H LEU A 99 -5.111 -1.382 3.499 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.268 0.345 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.624 -2.615 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.385 -1.570 0.009 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.083 -1.094 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.041 -2.034 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.344 -3.242 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.966 -2.471 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.574 0.355 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.521 0.013 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.267 0.893 1.286 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.536 -1.982 0.969 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.730 -2.305 0.197 1.00 0.00 C ATOM 1561 C GLN A 100 -9.783 -1.211 0.340 1.00 0.00 C ATOM 1562 O GLN A 100 -10.341 -0.740 -0.650 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.308 -3.647 0.649 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.731 -4.840 -0.096 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.456 -6.133 0.221 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.037 -6.765 -0.661 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.426 -6.534 1.487 1.00 0.00 N ATOM 0 H GLN A 100 -7.338 -2.630 1.732 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.445 -2.375 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.123 -3.772 1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.389 -3.632 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.782 -4.653 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.677 -4.947 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.932 -5.979 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.897 -7.397 1.760 1.00 0.00 H new ATOM 1576 N MET A 101 -10.050 -0.812 1.580 1.00 0.00 N ATOM 1577 CA MET A 101 -11.036 0.228 1.852 1.00 0.00 C ATOM 1578 C MET A 101 -10.935 1.354 0.827 1.00 0.00 C ATOM 1579 O MET A 101 -11.940 1.779 0.257 1.00 0.00 O ATOM 1580 CB MET A 101 -10.842 0.788 3.262 1.00 0.00 C ATOM 1581 CG MET A 101 -11.276 -0.170 4.361 1.00 0.00 C ATOM 1582 SD MET A 101 -12.983 -0.716 4.172 1.00 0.00 S ATOM 1583 CE MET A 101 -12.741 -2.347 3.472 1.00 0.00 C ATOM 0 H MET A 101 -9.598 -1.193 2.411 1.00 0.00 H new ATOM 0 HA MET A 101 -12.028 -0.218 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.791 1.038 3.403 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.406 1.716 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.618 -1.039 4.360 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.160 0.317 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.476 -2.518 2.685 1.00 0.00 H new ATOM 0 HE2 MET A 101 -11.737 -2.418 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.863 -3.099 4.251 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.717 1.832 0.598 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.485 2.908 -0.359 1.00 0.00 C ATOM 1595 C LYS A 102 -10.015 2.533 -1.739 1.00 0.00 C ATOM 1596 O LYS A 102 -10.907 3.194 -2.272 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.991 3.228 -0.444 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.339 3.457 0.908 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.948 4.650 1.626 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.366 4.818 3.021 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.104 4.010 4.031 1.00 0.00 N ATOM 0 H LYS A 102 -8.875 1.491 1.062 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.021 3.791 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.481 2.408 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.853 4.117 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.452 2.564 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.269 3.619 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.770 5.555 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.028 4.522 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.317 4.522 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.398 5.870 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.677 4.152 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.100 4.310 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.052 3.003 3.776 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.463 1.468 -2.311 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.881 1.006 -3.629 1.00 0.00 C ATOM 1617 C ARG A 103 -11.357 0.618 -3.626 1.00 0.00 C ATOM 1618 O ARG A 103 -12.172 1.234 -4.313 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.031 -0.188 -4.067 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.691 -1.047 -5.134 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.906 -2.325 -5.383 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.741 -3.376 -5.959 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.746 -3.955 -5.311 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.039 -3.586 -4.072 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.460 -4.904 -5.903 1.00 0.00 N ATOM 0 H ARG A 103 -8.725 0.909 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.739 1.824 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.076 0.176 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.814 -0.807 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.706 -1.296 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.770 -0.480 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.074 -2.114 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.477 -2.676 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.542 -3.682 -6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.493 -2.856 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.811 -4.032 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.237 -5.190 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.231 -5.348 -5.404 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.693 -0.405 -2.849 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.071 -0.875 -2.757 1.00 0.00 C ATOM 1641 C TRP A 104 -14.047 0.297 -2.760 1.00 0.00 C ATOM 1642 O TRP A 104 -15.022 0.301 -3.510 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.263 -1.711 -1.491 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.701 -1.885 -1.107 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.549 -2.870 -1.529 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.460 -1.051 -0.225 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.789 -2.697 -0.962 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.760 -1.589 -0.157 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -15.167 0.097 0.516 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.763 -1.016 0.620 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -16.163 0.665 1.287 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.448 0.108 1.335 1.00 0.00 C ATOM 0 H TRP A 104 -11.031 -0.925 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.276 -1.497 -3.629 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.813 -2.692 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.729 -1.238 -0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.284 -3.667 -2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.600 -3.297 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.179 0.533 0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.754 -1.443 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.948 1.553 1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -18.205 0.575 1.948 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.777 1.289 -1.917 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.633 2.465 -1.824 1.00 0.00 C ATOM 1665 C GLU A 105 -14.880 3.070 -3.203 1.00 0.00 C ATOM 1666 O GLU A 105 -16.024 3.283 -3.604 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.002 3.511 -0.902 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.409 3.363 0.555 1.00 0.00 C ATOM 1669 CD GLU A 105 -14.012 4.560 1.396 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.834 4.633 1.805 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.878 5.425 1.645 1.00 0.00 O ATOM 0 H GLU A 105 -12.973 1.301 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.590 2.153 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.917 3.441 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.282 4.505 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.488 3.224 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.949 2.465 0.968 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.798 3.344 -3.924 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.895 3.925 -5.258 1.00 0.00 C ATOM 1680 C PHE A 106 -14.871 3.136 -6.125 1.00 0.00 C ATOM 1681 O PHE A 106 -15.747 3.710 -6.773 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.518 3.960 -5.924 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.573 4.226 -7.401 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.924 5.477 -7.881 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.274 3.223 -8.310 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -12.975 5.724 -9.240 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.323 3.465 -9.669 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.675 4.716 -10.135 1.00 0.00 C ATOM 0 H PHE A 106 -12.844 3.173 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.268 4.944 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.912 4.730 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.016 3.008 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.161 6.269 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.000 2.242 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.249 6.704 -9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.086 2.676 -10.367 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.716 4.906 -11.197 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.714 1.816 -6.132 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.582 0.947 -6.919 1.00 0.00 C ATOM 1700 C HIS A 107 -17.042 1.131 -6.519 1.00 0.00 C ATOM 1701 O HIS A 107 -17.904 1.357 -7.367 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.172 -0.515 -6.741 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.849 -0.846 -7.359 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.603 -0.742 -8.712 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.694 -1.279 -6.801 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.355 -1.098 -8.960 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.782 -1.429 -7.817 1.00 0.00 N ATOM 0 H HIS A 107 -13.994 1.325 -5.602 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.474 1.221 -7.968 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.134 -0.746 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -15.938 -1.154 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.522 -1.471 -5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.884 -1.115 -9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.818 -1.745 -7.707 1.00 0.00 H new