USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 12 TYR OH : rot 166:sc= 1.25 USER MOD Set 1.2: B 17 THR OG1 : rot 103:sc= 2.23 USER MOD Set 2.1: A 17 THR OG1 : rot 76:sc= 2.22 USER MOD Set 2.2: B 12 TYR OH : rot 174:sc= 1.23 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 ASP N :NH3+ -178:sc= 0.985 (180deg=0.958) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 28 SER OG : rot -125:sc= 0.0741! USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -2 SER OG : rot 180:sc= 0 USER MOD Single : B -3 ASP N :NH3+ 173:sc= 0.295 (180deg=0.031) USER MOD Single : B 24 LYS NZ :NH3+ -157:sc= -0.0465 (180deg=-0.449) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A -3 -22.016 8.722 -7.514 1.00 0.00 N ATOM 2 CA ASP A -3 -22.806 7.528 -7.926 1.00 0.00 C ATOM 3 C ASP A -3 -22.417 6.331 -7.058 1.00 0.00 C ATOM 4 O ASP A -3 -21.435 6.363 -6.341 1.00 0.00 O ATOM 5 CB ASP A -3 -22.521 7.210 -9.396 1.00 0.00 C ATOM 6 CG ASP A -3 -21.015 7.044 -9.599 1.00 0.00 C ATOM 7 OD1 ASP A -3 -20.288 7.162 -8.626 1.00 0.00 O ATOM 8 OD2 ASP A -3 -20.612 6.807 -10.726 1.00 0.00 O ATOM 0 H1 ASP A -3 -22.306 9.543 -8.082 1.00 0.00 H new ATOM 0 H2 ASP A -3 -22.186 8.920 -6.507 1.00 0.00 H new ATOM 0 H3 ASP A -3 -21.004 8.537 -7.664 1.00 0.00 H new ATOM 0 HA ASP A -3 -23.869 7.735 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A -3 -23.041 6.298 -9.689 1.00 0.00 H new ATOM 0 HB3 ASP A -3 -22.898 8.011 -10.032 1.00 0.00 H new ATOM 13 N SER A -2 -23.181 5.274 -7.113 1.00 0.00 N ATOM 14 CA SER A -2 -22.860 4.074 -6.290 1.00 0.00 C ATOM 15 C SER A -2 -21.469 3.552 -6.656 1.00 0.00 C ATOM 16 O SER A -2 -20.760 3.014 -5.828 1.00 0.00 O ATOM 17 CB SER A -2 -23.897 2.982 -6.560 1.00 0.00 C ATOM 18 OG SER A -2 -25.201 3.530 -6.429 1.00 0.00 O ATOM 0 H SER A -2 -24.015 5.190 -7.694 1.00 0.00 H new ATOM 0 HA SER A -2 -22.877 4.346 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A -2 -23.760 2.574 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A -2 -23.765 2.157 -5.860 1.00 0.00 H new ATOM 0 HG SER A -2 -25.868 2.833 -6.603 1.00 0.00 H new ATOM 24 N LYS A -1 -21.073 3.702 -7.890 1.00 0.00 N ATOM 25 CA LYS A -1 -19.730 3.210 -8.309 1.00 0.00 C ATOM 26 C LYS A -1 -18.644 4.082 -7.665 1.00 0.00 C ATOM 27 O LYS A -1 -17.482 3.998 -8.005 1.00 0.00 O ATOM 28 CB LYS A -1 -19.622 3.281 -9.840 1.00 0.00 C ATOM 29 CG LYS A -1 -18.517 2.342 -10.329 1.00 0.00 C ATOM 30 CD LYS A -1 -18.445 2.390 -11.856 1.00 0.00 C ATOM 31 CE LYS A -1 -17.361 1.428 -12.345 1.00 0.00 C ATOM 32 NZ LYS A -1 -17.506 1.222 -13.813 1.00 0.00 N ATOM 0 H LYS A -1 -21.622 4.144 -8.627 1.00 0.00 H new ATOM 0 HA LYS A -1 -19.596 2.178 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A -1 -20.574 3.004 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A -1 -19.406 4.303 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A -1 -17.559 2.636 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A -1 -18.717 1.324 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A -1 -19.409 2.117 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A -1 -18.224 3.404 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A -1 -16.374 1.831 -12.119 1.00 0.00 H new ATOM 0 HE3 LYS A -1 -17.443 0.475 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A -1 -16.769 0.568 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A -1 -18.443 0.820 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A -1 -17.407 2.134 -14.303 1.00 0.00 H new ATOM 46 N LEU A 1 -19.017 4.922 -6.738 1.00 0.00 N ATOM 47 CA LEU A 1 -18.010 5.802 -6.077 1.00 0.00 C ATOM 48 C LEU A 1 -16.983 4.946 -5.328 1.00 0.00 C ATOM 49 O LEU A 1 -15.807 5.251 -5.307 1.00 0.00 O ATOM 50 CB LEU A 1 -18.727 6.734 -5.092 1.00 0.00 C ATOM 51 CG LEU A 1 -17.711 7.583 -4.312 1.00 0.00 C ATOM 52 CD1 LEU A 1 -16.808 8.358 -5.285 1.00 0.00 C ATOM 53 CD2 LEU A 1 -18.469 8.570 -3.418 1.00 0.00 C ATOM 0 H LEU A 1 -19.976 5.037 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 1 -17.492 6.395 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -19.413 7.385 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -19.327 6.146 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.088 6.930 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.093 8.956 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -16.271 7.655 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -17.419 9.014 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -17.756 9.177 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -19.091 9.217 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -19.100 8.019 -2.721 1.00 0.00 H new ATOM 65 N CYS A 2 -17.417 3.883 -4.708 1.00 0.00 N ATOM 66 CA CYS A 2 -16.462 3.018 -3.954 1.00 0.00 C ATOM 67 C CYS A 2 -15.359 2.521 -4.890 1.00 0.00 C ATOM 68 O CYS A 2 -14.223 2.358 -4.492 1.00 0.00 O ATOM 69 CB CYS A 2 -17.214 1.819 -3.373 1.00 0.00 C ATOM 70 SG CYS A 2 -16.030 0.660 -2.644 1.00 0.00 S ATOM 0 H CYS A 2 -18.389 3.575 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 2 -16.013 3.597 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -17.925 2.153 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -17.790 1.324 -4.155 1.00 0.00 H new ATOM 75 N TYR A 3 -15.680 2.276 -6.131 1.00 0.00 N ATOM 76 CA TYR A 3 -14.646 1.786 -7.084 1.00 0.00 C ATOM 77 C TYR A 3 -13.492 2.790 -7.152 1.00 0.00 C ATOM 78 O TYR A 3 -12.349 2.422 -7.339 1.00 0.00 O ATOM 79 CB TYR A 3 -15.265 1.628 -8.475 1.00 0.00 C ATOM 80 CG TYR A 3 -14.304 0.878 -9.370 1.00 0.00 C ATOM 81 CD1 TYR A 3 -14.001 -0.460 -9.099 1.00 0.00 C ATOM 82 CD2 TYR A 3 -13.715 1.521 -10.468 1.00 0.00 C ATOM 83 CE1 TYR A 3 -13.109 -1.159 -9.923 1.00 0.00 C ATOM 84 CE2 TYR A 3 -12.823 0.822 -11.292 1.00 0.00 C ATOM 85 CZ TYR A 3 -12.520 -0.517 -11.019 1.00 0.00 C ATOM 86 OH TYR A 3 -11.642 -1.206 -11.830 1.00 0.00 O ATOM 0 H TYR A 3 -16.613 2.394 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.269 0.822 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.210 1.090 -8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.486 2.607 -8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -14.455 -0.955 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.949 2.554 -10.678 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.876 -2.192 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.369 1.317 -12.138 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.325 -0.615 -12.545 1.00 0.00 H new ATOM 96 N LEU A 4 -13.781 4.054 -7.006 1.00 0.00 N ATOM 97 CA LEU A 4 -12.699 5.078 -7.067 1.00 0.00 C ATOM 98 C LEU A 4 -11.789 4.940 -5.843 1.00 0.00 C ATOM 99 O LEU A 4 -10.585 5.071 -5.937 1.00 0.00 O ATOM 100 CB LEU A 4 -13.326 6.478 -7.086 1.00 0.00 C ATOM 101 CG LEU A 4 -12.256 7.537 -7.421 1.00 0.00 C ATOM 102 CD1 LEU A 4 -12.036 7.616 -8.939 1.00 0.00 C ATOM 103 CD2 LEU A 4 -12.715 8.909 -6.916 1.00 0.00 C ATOM 0 H LEU A 4 -14.719 4.422 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.109 4.930 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.128 6.515 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.774 6.697 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.323 7.251 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.278 8.368 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.703 6.646 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.971 7.890 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.958 9.656 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.655 9.179 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.860 8.870 -5.836 1.00 0.00 H new ATOM 115 N LEU A 5 -12.353 4.678 -4.694 1.00 0.00 N ATOM 116 CA LEU A 5 -11.515 4.535 -3.470 1.00 0.00 C ATOM 117 C LEU A 5 -10.562 3.349 -3.641 1.00 0.00 C ATOM 118 O LEU A 5 -9.379 3.447 -3.378 1.00 0.00 O ATOM 119 CB LEU A 5 -12.424 4.295 -2.253 1.00 0.00 C ATOM 120 CG LEU A 5 -12.974 5.630 -1.738 1.00 0.00 C ATOM 121 CD1 LEU A 5 -13.857 6.272 -2.808 1.00 0.00 C ATOM 122 CD2 LEU A 5 -13.803 5.384 -0.476 1.00 0.00 C ATOM 0 H LEU A 5 -13.356 4.557 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.936 5.445 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.247 3.635 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.864 3.794 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.144 6.298 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.246 7.221 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.268 6.448 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.688 5.606 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.195 6.332 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.631 4.715 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.174 4.930 0.290 1.00 0.00 H new ATOM 134 N ASP A 6 -11.067 2.229 -4.078 1.00 0.00 N ATOM 135 CA ASP A 6 -10.191 1.038 -4.262 1.00 0.00 C ATOM 136 C ASP A 6 -9.138 1.332 -5.333 1.00 0.00 C ATOM 137 O ASP A 6 -7.996 0.933 -5.220 1.00 0.00 O ATOM 138 CB ASP A 6 -11.041 -0.157 -4.697 1.00 0.00 C ATOM 139 CG ASP A 6 -11.977 -0.560 -3.556 1.00 0.00 C ATOM 140 OD1 ASP A 6 -11.788 -0.064 -2.457 1.00 0.00 O ATOM 141 OD2 ASP A 6 -12.868 -1.358 -3.800 1.00 0.00 O ATOM 0 H ASP A 6 -12.049 2.087 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.693 0.808 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.621 0.099 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.398 -0.995 -4.967 1.00 0.00 H new ATOM 146 N GLY A 7 -9.512 2.027 -6.371 1.00 0.00 N ATOM 147 CA GLY A 7 -8.532 2.343 -7.447 1.00 0.00 C ATOM 148 C GLY A 7 -7.348 3.115 -6.859 1.00 0.00 C ATOM 149 O GLY A 7 -6.204 2.781 -7.086 1.00 0.00 O ATOM 0 H GLY A 7 -10.454 2.390 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.182 1.423 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.012 2.934 -8.227 1.00 0.00 H new ATOM 153 N ILE A 8 -7.615 4.147 -6.106 1.00 0.00 N ATOM 154 CA ILE A 8 -6.504 4.941 -5.508 1.00 0.00 C ATOM 155 C ILE A 8 -5.719 4.073 -4.520 1.00 0.00 C ATOM 156 O ILE A 8 -4.519 3.924 -4.631 1.00 0.00 O ATOM 157 CB ILE A 8 -7.086 6.153 -4.777 1.00 0.00 C ATOM 158 CG1 ILE A 8 -7.885 7.004 -5.768 1.00 0.00 C ATOM 159 CG2 ILE A 8 -5.948 6.991 -4.185 1.00 0.00 C ATOM 160 CD1 ILE A 8 -8.598 8.135 -5.023 1.00 0.00 C ATOM 0 H ILE A 8 -8.554 4.475 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.833 5.278 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.740 5.815 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.219 7.418 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.614 6.383 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.364 7.854 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.377 6.384 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.292 7.332 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.165 8.737 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.277 7.712 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.861 8.762 -4.522 1.00 0.00 H new ATOM 172 N LEU A 9 -6.384 3.505 -3.552 1.00 0.00 N ATOM 173 CA LEU A 9 -5.666 2.657 -2.557 1.00 0.00 C ATOM 174 C LEU A 9 -4.969 1.498 -3.277 1.00 0.00 C ATOM 175 O LEU A 9 -3.853 1.140 -2.957 1.00 0.00 O ATOM 176 CB LEU A 9 -6.666 2.098 -1.538 1.00 0.00 C ATOM 177 CG LEU A 9 -7.437 3.249 -0.871 1.00 0.00 C ATOM 178 CD1 LEU A 9 -8.671 2.691 -0.159 1.00 0.00 C ATOM 179 CD2 LEU A 9 -6.546 3.961 0.157 1.00 0.00 C ATOM 0 H LEU A 9 -7.390 3.590 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.922 3.263 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.363 1.422 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.140 1.516 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.739 3.961 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.218 3.507 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.316 2.194 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.360 1.974 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.104 4.774 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.235 3.250 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.665 4.365 -0.343 1.00 0.00 H new ATOM 191 N PHE A 10 -5.619 0.904 -4.242 1.00 0.00 N ATOM 192 CA PHE A 10 -4.991 -0.233 -4.972 1.00 0.00 C ATOM 193 C PHE A 10 -3.740 0.251 -5.712 1.00 0.00 C ATOM 194 O PHE A 10 -2.651 -0.243 -5.493 1.00 0.00 O ATOM 195 CB PHE A 10 -5.990 -0.807 -5.981 1.00 0.00 C ATOM 196 CG PHE A 10 -5.351 -1.961 -6.720 1.00 0.00 C ATOM 197 CD1 PHE A 10 -5.151 -3.185 -6.069 1.00 0.00 C ATOM 198 CD2 PHE A 10 -4.955 -1.809 -8.056 1.00 0.00 C ATOM 199 CE1 PHE A 10 -4.558 -4.253 -6.751 1.00 0.00 C ATOM 200 CE2 PHE A 10 -4.363 -2.877 -8.738 1.00 0.00 C ATOM 201 CZ PHE A 10 -4.163 -4.100 -8.085 1.00 0.00 C ATOM 0 H PHE A 10 -6.556 1.157 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.709 -1.006 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.890 -1.144 -5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.296 -0.034 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.455 -3.304 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.107 -0.866 -8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.405 -5.196 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.060 -2.759 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.704 -4.924 -8.611 1.00 0.00 H new ATOM 211 N ILE A 11 -3.885 1.211 -6.584 1.00 0.00 N ATOM 212 CA ILE A 11 -2.698 1.717 -7.331 1.00 0.00 C ATOM 213 C ILE A 11 -1.606 2.115 -6.336 1.00 0.00 C ATOM 214 O ILE A 11 -0.431 1.923 -6.579 1.00 0.00 O ATOM 215 CB ILE A 11 -3.102 2.933 -8.167 1.00 0.00 C ATOM 216 CG1 ILE A 11 -4.094 2.495 -9.247 1.00 0.00 C ATOM 217 CG2 ILE A 11 -1.860 3.533 -8.830 1.00 0.00 C ATOM 218 CD1 ILE A 11 -4.721 3.728 -9.899 1.00 0.00 C ATOM 0 H ILE A 11 -4.770 1.665 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.320 0.936 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.566 3.681 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.585 1.893 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.871 1.868 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.148 4.399 -9.426 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.150 3.840 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.396 2.787 -9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.427 3.414 -10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.245 4.313 -9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.939 4.337 -10.352 1.00 0.00 H new ATOM 230 N TYR A 12 -1.986 2.664 -5.216 1.00 0.00 N ATOM 231 CA TYR A 12 -0.973 3.070 -4.202 1.00 0.00 C ATOM 232 C TYR A 12 -0.181 1.843 -3.746 1.00 0.00 C ATOM 233 O TYR A 12 1.020 1.898 -3.577 1.00 0.00 O ATOM 234 CB TYR A 12 -1.684 3.691 -2.996 1.00 0.00 C ATOM 235 CG TYR A 12 -0.669 4.039 -1.932 1.00 0.00 C ATOM 236 CD1 TYR A 12 0.012 5.261 -1.986 1.00 0.00 C ATOM 237 CD2 TYR A 12 -0.410 3.140 -0.888 1.00 0.00 C ATOM 238 CE1 TYR A 12 0.949 5.584 -0.999 1.00 0.00 C ATOM 239 CE2 TYR A 12 0.528 3.464 0.099 1.00 0.00 C ATOM 240 CZ TYR A 12 1.207 4.686 0.043 1.00 0.00 C ATOM 241 OH TYR A 12 2.132 5.006 1.017 1.00 0.00 O ATOM 0 H TYR A 12 -2.955 2.849 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.291 3.798 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.226 4.586 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.420 2.993 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.186 5.954 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.935 2.197 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.474 6.527 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.727 2.771 0.903 1.00 0.00 H new ATOM 0 HH TYR A 12 2.033 4.394 1.776 1.00 0.00 H new ATOM 251 N GLY A 13 -0.843 0.739 -3.539 1.00 0.00 N ATOM 252 CA GLY A 13 -0.128 -0.489 -3.085 1.00 0.00 C ATOM 253 C GLY A 13 0.801 -0.998 -4.190 1.00 0.00 C ATOM 254 O GLY A 13 1.911 -1.421 -3.934 1.00 0.00 O ATOM 0 H GLY A 13 -1.850 0.633 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.449 -0.271 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.849 -1.262 -2.821 1.00 0.00 H new ATOM 258 N VAL A 14 0.354 -0.969 -5.416 1.00 0.00 N ATOM 259 CA VAL A 14 1.207 -1.461 -6.536 1.00 0.00 C ATOM 260 C VAL A 14 2.455 -0.583 -6.673 1.00 0.00 C ATOM 261 O VAL A 14 3.559 -1.076 -6.786 1.00 0.00 O ATOM 262 CB VAL A 14 0.404 -1.414 -7.839 1.00 0.00 C ATOM 263 CG1 VAL A 14 1.314 -1.772 -9.017 1.00 0.00 C ATOM 264 CG2 VAL A 14 -0.747 -2.419 -7.762 1.00 0.00 C ATOM 0 H VAL A 14 -0.566 -0.625 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 14 1.516 -2.485 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 14 0.005 -0.410 -7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.740 -1.738 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.135 -1.058 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.715 -2.776 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.320 -2.387 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.345 -3.422 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.397 -2.165 -6.925 1.00 0.00 H new ATOM 274 N ILE A 15 2.290 0.711 -6.677 1.00 0.00 N ATOM 275 CA ILE A 15 3.469 1.611 -6.821 1.00 0.00 C ATOM 276 C ILE A 15 4.412 1.435 -5.627 1.00 0.00 C ATOM 277 O ILE A 15 5.617 1.421 -5.776 1.00 0.00 O ATOM 278 CB ILE A 15 2.993 3.062 -6.890 1.00 0.00 C ATOM 279 CG1 ILE A 15 2.134 3.252 -8.143 1.00 0.00 C ATOM 280 CG2 ILE A 15 4.203 3.997 -6.956 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.459 4.624 -8.099 1.00 0.00 C ATOM 0 H ILE A 15 1.391 1.184 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 15 4.005 1.357 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 15 2.405 3.295 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.753 3.168 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.381 2.467 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.862 5.031 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.818 3.860 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.793 3.767 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.848 4.758 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.827 4.690 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.220 5.403 -8.061 1.00 0.00 H new ATOM 293 N LEU A 16 3.878 1.306 -4.444 1.00 0.00 N ATOM 294 CA LEU A 16 4.753 1.139 -3.247 1.00 0.00 C ATOM 295 C LEU A 16 5.507 -0.197 -3.349 1.00 0.00 C ATOM 296 O LEU A 16 6.698 -0.268 -3.122 1.00 0.00 O ATOM 297 CB LEU A 16 3.872 1.167 -1.971 1.00 0.00 C ATOM 298 CG LEU A 16 4.499 2.035 -0.851 1.00 0.00 C ATOM 299 CD1 LEU A 16 6.012 1.762 -0.708 1.00 0.00 C ATOM 300 CD2 LEU A 16 4.258 3.525 -1.148 1.00 0.00 C ATOM 0 H LEU A 16 2.876 1.309 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 16 5.481 1.949 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.885 1.555 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.731 0.150 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 16 4.020 1.770 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.421 2.387 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.171 0.712 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.514 1.994 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.701 4.130 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.716 3.784 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.186 3.718 -1.195 1.00 0.00 H new ATOM 312 N THR A 17 4.819 -1.257 -3.677 1.00 0.00 N ATOM 313 CA THR A 17 5.493 -2.584 -3.777 1.00 0.00 C ATOM 314 C THR A 17 6.602 -2.533 -4.832 1.00 0.00 C ATOM 315 O THR A 17 7.670 -3.084 -4.647 1.00 0.00 O ATOM 316 CB THR A 17 4.464 -3.648 -4.168 1.00 0.00 C ATOM 317 OG1 THR A 17 3.354 -3.576 -3.285 1.00 0.00 O ATOM 318 CG2 THR A 17 5.099 -5.037 -4.079 1.00 0.00 C ATOM 0 H THR A 17 3.819 -1.262 -3.880 1.00 0.00 H new ATOM 0 HA THR A 17 5.933 -2.835 -2.812 1.00 0.00 H new ATOM 0 HB THR A 17 4.130 -3.471 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.802 -2.799 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.364 -5.792 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.951 -5.092 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.436 -5.218 -3.058 1.00 0.00 H new ATOM 326 N ALA A 18 6.361 -1.884 -5.938 1.00 0.00 N ATOM 327 CA ALA A 18 7.407 -1.812 -7.000 1.00 0.00 C ATOM 328 C ALA A 18 8.659 -1.126 -6.445 1.00 0.00 C ATOM 329 O ALA A 18 9.761 -1.620 -6.587 1.00 0.00 O ATOM 330 CB ALA A 18 6.870 -1.013 -8.191 1.00 0.00 C ATOM 0 H ALA A 18 5.488 -1.402 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 18 7.663 -2.821 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.633 -0.960 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.982 -1.505 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.612 -0.005 -7.866 1.00 0.00 H new ATOM 336 N LEU A 19 8.502 0.005 -5.815 1.00 0.00 N ATOM 337 CA LEU A 19 9.683 0.720 -5.253 1.00 0.00 C ATOM 338 C LEU A 19 10.310 -0.122 -4.141 1.00 0.00 C ATOM 339 O LEU A 19 11.508 -0.106 -3.941 1.00 0.00 O ATOM 340 CB LEU A 19 9.240 2.070 -4.678 1.00 0.00 C ATOM 341 CG LEU A 19 8.503 2.885 -5.750 1.00 0.00 C ATOM 342 CD1 LEU A 19 7.801 4.072 -5.087 1.00 0.00 C ATOM 343 CD2 LEU A 19 9.498 3.405 -6.797 1.00 0.00 C ATOM 0 H LEU A 19 7.605 0.466 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 19 10.415 0.883 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.588 1.912 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.108 2.625 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 19 7.770 2.246 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.276 4.654 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.086 3.706 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.540 4.702 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.964 3.981 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.238 4.041 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.000 2.562 -7.272 1.00 0.00 H new ATOM 355 N PHE A 20 9.515 -0.853 -3.413 1.00 0.00 N ATOM 356 CA PHE A 20 10.076 -1.690 -2.315 1.00 0.00 C ATOM 357 C PHE A 20 11.013 -2.748 -2.903 1.00 0.00 C ATOM 358 O PHE A 20 12.151 -2.877 -2.495 1.00 0.00 O ATOM 359 CB PHE A 20 8.933 -2.376 -1.564 1.00 0.00 C ATOM 360 CG PHE A 20 9.496 -3.238 -0.462 1.00 0.00 C ATOM 361 CD1 PHE A 20 9.795 -2.678 0.785 1.00 0.00 C ATOM 362 CD2 PHE A 20 9.718 -4.603 -0.688 1.00 0.00 C ATOM 363 CE1 PHE A 20 10.314 -3.480 1.807 1.00 0.00 C ATOM 364 CE2 PHE A 20 10.238 -5.405 0.334 1.00 0.00 C ATOM 365 CZ PHE A 20 10.536 -4.844 1.582 1.00 0.00 C ATOM 0 H PHE A 20 8.503 -0.908 -3.529 1.00 0.00 H new ATOM 0 HA PHE A 20 10.635 -1.058 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.259 -1.628 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.346 -2.985 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.625 -1.626 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.488 -5.036 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.543 -3.047 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.410 -6.457 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.937 -5.463 2.371 1.00 0.00 H new ATOM 375 N LEU A 21 10.547 -3.507 -3.856 1.00 0.00 N ATOM 376 CA LEU A 21 11.415 -4.555 -4.465 1.00 0.00 C ATOM 377 C LEU A 21 12.602 -3.895 -5.172 1.00 0.00 C ATOM 378 O LEU A 21 13.706 -4.400 -5.149 1.00 0.00 O ATOM 379 CB LEU A 21 10.605 -5.360 -5.485 1.00 0.00 C ATOM 380 CG LEU A 21 9.375 -5.982 -4.809 1.00 0.00 C ATOM 381 CD1 LEU A 21 8.392 -6.452 -5.884 1.00 0.00 C ATOM 382 CD2 LEU A 21 9.789 -7.183 -3.946 1.00 0.00 C ATOM 0 H LEU A 21 9.604 -3.447 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 21 11.781 -5.218 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.291 -4.713 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.227 -6.144 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 21 8.905 -5.232 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.517 -6.895 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.083 -5.601 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.875 -7.195 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.906 -7.613 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.267 -7.935 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.488 -6.855 -3.177 1.00 0.00 H new ATOM 394 N ARG A 22 12.386 -2.774 -5.803 1.00 0.00 N ATOM 395 CA ARG A 22 13.505 -2.092 -6.513 1.00 0.00 C ATOM 396 C ARG A 22 14.664 -1.866 -5.540 1.00 0.00 C ATOM 397 O ARG A 22 15.816 -2.049 -5.880 1.00 0.00 O ATOM 398 CB ARG A 22 13.021 -0.745 -7.054 1.00 0.00 C ATOM 399 CG ARG A 22 14.100 -0.135 -7.950 1.00 0.00 C ATOM 400 CD ARG A 22 13.655 1.255 -8.405 1.00 0.00 C ATOM 401 NE ARG A 22 13.608 2.172 -7.232 1.00 0.00 N ATOM 402 CZ ARG A 22 13.556 3.462 -7.415 1.00 0.00 C ATOM 403 NH1 ARG A 22 13.550 3.950 -8.626 1.00 0.00 N ATOM 404 NH2 ARG A 22 13.516 4.267 -6.387 1.00 0.00 N ATOM 0 H ARG A 22 11.484 -2.301 -5.858 1.00 0.00 H new ATOM 0 HA ARG A 22 13.843 -2.715 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.098 -0.879 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.795 -0.070 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.043 -0.068 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.274 -0.775 -8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.345 1.642 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.673 1.198 -8.875 1.00 0.00 H new ATOM 0 HE ARG A 22 13.616 1.791 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.586 3.322 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.509 4.959 -8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.525 3.887 -5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.475 5.276 -6.531 1.00 0.00 H new ATOM 418 N VAL A 23 14.370 -1.472 -4.331 1.00 0.00 N ATOM 419 CA VAL A 23 15.458 -1.238 -3.339 1.00 0.00 C ATOM 420 C VAL A 23 16.041 -2.582 -2.896 1.00 0.00 C ATOM 421 O VAL A 23 17.209 -2.687 -2.579 1.00 0.00 O ATOM 422 CB VAL A 23 14.891 -0.503 -2.123 1.00 0.00 C ATOM 423 CG1 VAL A 23 16.001 -0.296 -1.092 1.00 0.00 C ATOM 424 CG2 VAL A 23 14.347 0.858 -2.563 1.00 0.00 C ATOM 0 H VAL A 23 13.425 -1.302 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 23 16.242 -0.634 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 23 14.088 -1.093 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.599 0.228 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.394 -1.264 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.802 0.296 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.942 1.385 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.152 1.447 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.559 0.713 -3.302 1.00 0.00 H new ATOM 434 N LYS A 24 15.239 -3.611 -2.871 1.00 0.00 N ATOM 435 CA LYS A 24 15.754 -4.943 -2.448 1.00 0.00 C ATOM 436 C LYS A 24 16.933 -5.340 -3.340 1.00 0.00 C ATOM 437 O LYS A 24 17.868 -5.977 -2.899 1.00 0.00 O ATOM 438 CB LYS A 24 14.644 -5.987 -2.576 1.00 0.00 C ATOM 439 CG LYS A 24 15.109 -7.304 -1.951 1.00 0.00 C ATOM 440 CD LYS A 24 13.934 -8.284 -1.876 1.00 0.00 C ATOM 441 CE LYS A 24 13.483 -8.671 -3.289 1.00 0.00 C ATOM 442 NZ LYS A 24 12.695 -9.936 -3.228 1.00 0.00 N ATOM 0 H LYS A 24 14.251 -3.587 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 24 16.083 -4.891 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.740 -5.635 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.392 -6.139 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.916 -7.734 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.508 -7.123 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.228 -9.176 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.105 -7.830 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.879 -7.873 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.350 -8.800 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.388 -10.200 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.286 -10.695 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.860 -9.796 -2.623 1.00 0.00 H new ATOM 456 N PHE A 25 16.898 -4.966 -4.593 1.00 0.00 N ATOM 457 CA PHE A 25 18.020 -5.319 -5.515 1.00 0.00 C ATOM 458 C PHE A 25 19.058 -4.196 -5.500 1.00 0.00 C ATOM 459 O PHE A 25 18.754 -3.053 -5.775 1.00 0.00 O ATOM 460 CB PHE A 25 17.478 -5.491 -6.938 1.00 0.00 C ATOM 461 CG PHE A 25 16.441 -6.590 -6.949 1.00 0.00 C ATOM 462 CD1 PHE A 25 16.842 -7.930 -6.882 1.00 0.00 C ATOM 463 CD2 PHE A 25 15.079 -6.271 -7.026 1.00 0.00 C ATOM 464 CE1 PHE A 25 15.882 -8.950 -6.890 1.00 0.00 C ATOM 465 CE2 PHE A 25 14.120 -7.291 -7.035 1.00 0.00 C ATOM 466 CZ PHE A 25 14.521 -8.630 -6.967 1.00 0.00 C ATOM 0 H PHE A 25 16.141 -4.431 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 25 18.482 -6.250 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 25 17.038 -4.557 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 25 18.291 -5.736 -7.622 1.00 0.00 H new ATOM 0 HD1 PHE A 25 17.892 -8.177 -6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.769 -5.238 -7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.192 -9.983 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 25 13.070 -7.044 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.781 -9.416 -6.974 1.00 0.00 H new ATOM 476 N SER A 26 20.283 -4.513 -5.178 1.00 0.00 N ATOM 477 CA SER A 26 21.339 -3.461 -5.143 1.00 0.00 C ATOM 478 C SER A 26 21.500 -2.849 -6.534 1.00 0.00 C ATOM 479 O SER A 26 21.614 -1.649 -6.685 1.00 0.00 O ATOM 480 CB SER A 26 22.664 -4.087 -4.706 1.00 0.00 C ATOM 481 OG SER A 26 22.440 -4.919 -3.576 1.00 0.00 O ATOM 0 H SER A 26 20.598 -5.453 -4.938 1.00 0.00 H new ATOM 0 HA SER A 26 21.052 -2.682 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.091 -4.670 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.385 -3.307 -4.461 1.00 0.00 H new ATOM 0 HG SER A 26 23.287 -5.323 -3.294 1.00 0.00 H new ATOM 487 N ARG A 27 21.509 -3.663 -7.554 1.00 0.00 N ATOM 488 CA ARG A 27 21.661 -3.123 -8.933 1.00 0.00 C ATOM 489 C ARG A 27 20.531 -2.134 -9.219 1.00 0.00 C ATOM 490 O ARG A 27 20.708 -1.159 -9.921 1.00 0.00 O ATOM 491 CB ARG A 27 21.602 -4.273 -9.940 1.00 0.00 C ATOM 492 CG ARG A 27 22.821 -5.179 -9.752 1.00 0.00 C ATOM 493 CD ARG A 27 22.780 -6.311 -10.780 1.00 0.00 C ATOM 494 NE ARG A 27 21.452 -6.984 -10.720 1.00 0.00 N ATOM 495 CZ ARG A 27 21.081 -7.784 -11.680 1.00 0.00 C ATOM 496 NH1 ARG A 27 21.882 -8.013 -12.684 1.00 0.00 N ATOM 497 NH2 ARG A 27 19.910 -8.360 -11.634 1.00 0.00 N ATOM 0 H ARG A 27 21.418 -4.677 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 27 22.620 -2.613 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.685 -4.846 -9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.581 -3.880 -10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.738 -4.601 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.829 -5.590 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 27 22.955 -5.915 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 27 23.574 -7.030 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 27 20.832 -6.819 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.798 -7.566 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.592 -8.639 -13.435 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.286 -8.184 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.620 -8.986 -12.385 1.00 0.00 H new ATOM 511 N SER A 28 19.368 -2.376 -8.677 1.00 0.00 N ATOM 512 CA SER A 28 18.227 -1.449 -8.916 1.00 0.00 C ATOM 513 C SER A 28 18.103 -1.163 -10.413 1.00 0.00 C ATOM 514 O SER A 28 18.553 -1.930 -11.241 1.00 0.00 O ATOM 515 CB SER A 28 18.468 -0.140 -8.165 1.00 0.00 C ATOM 516 OG SER A 28 17.429 0.778 -8.477 1.00 0.00 O ATOM 0 H SER A 28 19.160 -3.176 -8.079 1.00 0.00 H new ATOM 0 HA SER A 28 17.306 -1.909 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 28 18.497 -0.323 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 28 19.435 0.279 -8.443 1.00 0.00 H new ATOM 0 HG SER A 28 17.819 1.611 -8.814 1.00 0.00 H new ATOM 522 N ALA A 29 17.496 -0.064 -10.767 1.00 0.00 N ATOM 523 CA ALA A 29 17.344 0.271 -12.211 1.00 0.00 C ATOM 524 C ALA A 29 18.726 0.374 -12.860 1.00 0.00 C ATOM 525 O ALA A 29 18.931 -0.050 -13.979 1.00 0.00 O ATOM 526 CB ALA A 29 16.613 1.608 -12.351 1.00 0.00 C ATOM 0 H ALA A 29 17.099 0.616 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 29 16.768 -0.511 -12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.502 1.853 -13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.628 1.534 -11.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.188 2.391 -11.856 1.00 0.00 H new ATOM 532 N ASP A 30 19.679 0.936 -12.163 1.00 0.00 N ATOM 533 CA ASP A 30 21.050 1.068 -12.737 1.00 0.00 C ATOM 534 C ASP A 30 21.859 -0.191 -12.416 1.00 0.00 C ATOM 535 O ASP A 30 22.781 -0.094 -11.627 1.00 0.00 O ATOM 536 CB ASP A 30 21.743 2.287 -12.124 1.00 0.00 C ATOM 537 CG ASP A 30 23.030 2.582 -12.895 1.00 0.00 C ATOM 538 OD1 ASP A 30 23.416 1.753 -13.702 1.00 0.00 O ATOM 539 OD2 ASP A 30 23.607 3.633 -12.666 1.00 0.00 O ATOM 540 OXT ASP A 30 21.530 -1.231 -12.963 1.00 0.00 O ATOM 0 H ASP A 30 19.566 1.309 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 30 20.982 1.192 -13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 30 21.080 3.151 -12.158 1.00 0.00 H new ATOM 0 HB3 ASP A 30 21.970 2.100 -11.074 1.00 0.00 H new TER 545 ASP A 30 ATOM 546 N ASP B -3 -24.333 -7.157 4.570 1.00 0.00 N ATOM 547 CA ASP B -3 -25.033 -6.575 3.390 1.00 0.00 C ATOM 548 C ASP B -3 -25.103 -5.054 3.537 1.00 0.00 C ATOM 549 O ASP B -3 -26.060 -4.425 3.127 1.00 0.00 O ATOM 550 CB ASP B -3 -26.450 -7.146 3.306 1.00 0.00 C ATOM 551 CG ASP B -3 -27.194 -6.863 4.612 1.00 0.00 C ATOM 552 OD1 ASP B -3 -26.701 -6.063 5.391 1.00 0.00 O ATOM 553 OD2 ASP B -3 -28.243 -7.452 4.813 1.00 0.00 O ATOM 0 H1 ASP B -3 -24.389 -8.195 4.530 1.00 0.00 H new ATOM 0 H2 ASP B -3 -23.335 -6.864 4.561 1.00 0.00 H new ATOM 0 H3 ASP B -3 -24.786 -6.819 5.443 1.00 0.00 H new ATOM 0 HA ASP B -3 -24.485 -6.826 2.482 1.00 0.00 H new ATOM 0 HB2 ASP B -3 -26.984 -6.700 2.467 1.00 0.00 H new ATOM 0 HB3 ASP B -3 -26.410 -8.220 3.123 1.00 0.00 H new ATOM 558 N SER B -2 -24.098 -4.456 4.116 1.00 0.00 N ATOM 559 CA SER B -2 -24.111 -2.975 4.287 1.00 0.00 C ATOM 560 C SER B -2 -22.686 -2.475 4.535 1.00 0.00 C ATOM 561 O SER B -2 -21.882 -3.140 5.157 1.00 0.00 O ATOM 562 CB SER B -2 -24.996 -2.607 5.478 1.00 0.00 C ATOM 563 OG SER B -2 -25.099 -1.191 5.564 1.00 0.00 O ATOM 0 H SER B -2 -23.269 -4.928 4.478 1.00 0.00 H new ATOM 0 HA SER B -2 -24.505 -2.509 3.384 1.00 0.00 H new ATOM 0 HB2 SER B -2 -25.985 -3.049 5.362 1.00 0.00 H new ATOM 0 HB3 SER B -2 -24.573 -3.009 6.399 1.00 0.00 H new ATOM 0 HG SER B -2 -25.667 -0.950 6.325 1.00 0.00 H new ATOM 569 N LYS B -1 -22.369 -1.304 4.054 1.00 0.00 N ATOM 570 CA LYS B -1 -20.998 -0.755 4.263 1.00 0.00 C ATOM 571 C LYS B -1 -19.956 -1.799 3.855 1.00 0.00 C ATOM 572 O LYS B -1 -18.873 -1.852 4.403 1.00 0.00 O ATOM 573 CB LYS B -1 -20.811 -0.398 5.739 1.00 0.00 C ATOM 574 CG LYS B -1 -21.680 0.812 6.085 1.00 0.00 C ATOM 575 CD LYS B -1 -21.359 1.284 7.504 1.00 0.00 C ATOM 576 CE LYS B -1 -22.119 2.578 7.796 1.00 0.00 C ATOM 577 NZ LYS B -1 -22.007 2.904 9.246 1.00 0.00 N ATOM 0 H LYS B -1 -23.000 -0.703 3.525 1.00 0.00 H new ATOM 0 HA LYS B -1 -20.871 0.139 3.652 1.00 0.00 H new ATOM 0 HB2 LYS B -1 -21.084 -1.246 6.367 1.00 0.00 H new ATOM 0 HB3 LYS B -1 -19.763 -0.176 5.941 1.00 0.00 H new ATOM 0 HG2 LYS B -1 -21.500 1.618 5.373 1.00 0.00 H new ATOM 0 HG3 LYS B -1 -22.735 0.549 6.008 1.00 0.00 H new ATOM 0 HD2 LYS B -1 -21.637 0.516 8.226 1.00 0.00 H new ATOM 0 HD3 LYS B -1 -20.287 1.448 7.610 1.00 0.00 H new ATOM 0 HE2 LYS B -1 -21.714 3.393 7.197 1.00 0.00 H new ATOM 0 HE3 LYS B -1 -23.167 2.468 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 -22.524 3.784 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 -22.413 2.129 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 -21.005 3.026 9.498 1.00 0.00 H new ATOM 591 N LEU B 1 -20.271 -2.629 2.900 1.00 0.00 N ATOM 592 CA LEU B 1 -19.293 -3.666 2.463 1.00 0.00 C ATOM 593 C LEU B 1 -18.051 -2.979 1.887 1.00 0.00 C ATOM 594 O LEU B 1 -16.939 -3.433 2.068 1.00 0.00 O ATOM 595 CB LEU B 1 -19.940 -4.557 1.394 1.00 0.00 C ATOM 596 CG LEU B 1 -18.961 -5.655 0.948 1.00 0.00 C ATOM 597 CD1 LEU B 1 -18.601 -6.563 2.137 1.00 0.00 C ATOM 598 CD2 LEU B 1 -19.622 -6.488 -0.156 1.00 0.00 C ATOM 0 H LEU B 1 -21.162 -2.635 2.403 1.00 0.00 H new ATOM 0 HA LEU B 1 -19.002 -4.281 3.314 1.00 0.00 H new ATOM 0 HB2 LEU B 1 -20.849 -5.010 1.790 1.00 0.00 H new ATOM 0 HB3 LEU B 1 -20.233 -3.952 0.536 1.00 0.00 H new ATOM 0 HG LEU B 1 -18.047 -5.195 0.572 1.00 0.00 H new ATOM 0 HD11 LEU B 1 -17.907 -7.336 1.807 1.00 0.00 H new ATOM 0 HD12 LEU B 1 -18.134 -5.967 2.922 1.00 0.00 H new ATOM 0 HD13 LEU B 1 -19.506 -7.030 2.526 1.00 0.00 H new ATOM 0 HD21 LEU B 1 -18.937 -7.271 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU B 1 -20.535 -6.942 0.228 1.00 0.00 H new ATOM 0 HD23 LEU B 1 -19.865 -5.844 -1.002 1.00 0.00 H new ATOM 610 N CYS B 2 -18.232 -1.888 1.195 1.00 0.00 N ATOM 611 CA CYS B 2 -17.062 -1.173 0.608 1.00 0.00 C ATOM 612 C CYS B 2 -16.068 -0.816 1.715 1.00 0.00 C ATOM 613 O CYS B 2 -14.872 -0.787 1.502 1.00 0.00 O ATOM 614 CB CYS B 2 -17.540 0.107 -0.082 1.00 0.00 C ATOM 615 SG CYS B 2 -16.109 1.050 -0.664 1.00 0.00 S ATOM 0 H CYS B 2 -19.139 -1.460 1.010 1.00 0.00 H new ATOM 0 HA CYS B 2 -16.573 -1.819 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS B 2 -18.191 -0.141 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS B 2 -18.128 0.709 0.611 1.00 0.00 H new ATOM 620 N TYR B 3 -16.549 -0.544 2.898 1.00 0.00 N ATOM 621 CA TYR B 3 -15.626 -0.193 4.015 1.00 0.00 C ATOM 622 C TYR B 3 -14.659 -1.354 4.257 1.00 0.00 C ATOM 623 O TYR B 3 -13.572 -1.172 4.769 1.00 0.00 O ATOM 624 CB TYR B 3 -16.438 0.069 5.286 1.00 0.00 C ATOM 625 CG TYR B 3 -15.529 0.618 6.363 1.00 0.00 C ATOM 626 CD1 TYR B 3 -15.170 1.972 6.351 1.00 0.00 C ATOM 627 CD2 TYR B 3 -15.044 -0.225 7.371 1.00 0.00 C ATOM 628 CE1 TYR B 3 -14.329 2.482 7.348 1.00 0.00 C ATOM 629 CE2 TYR B 3 -14.203 0.286 8.367 1.00 0.00 C ATOM 630 CZ TYR B 3 -13.845 1.638 8.355 1.00 0.00 C ATOM 631 OH TYR B 3 -13.015 2.141 9.337 1.00 0.00 O ATOM 0 H TYR B 3 -17.540 -0.550 3.139 1.00 0.00 H new ATOM 0 HA TYR B 3 -15.063 0.703 3.755 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -17.241 0.776 5.078 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -16.907 -0.854 5.627 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -15.542 2.622 5.573 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -15.319 -1.269 7.380 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -14.054 3.526 7.340 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -13.831 -0.364 9.145 1.00 0.00 H new ATOM 0 HH TYR B 3 -12.771 1.423 9.958 1.00 0.00 H new ATOM 641 N LEU B 4 -15.046 -2.545 3.892 1.00 0.00 N ATOM 642 CA LEU B 4 -14.151 -3.720 4.100 1.00 0.00 C ATOM 643 C LEU B 4 -13.030 -3.698 3.057 1.00 0.00 C ATOM 644 O LEU B 4 -11.876 -3.907 3.371 1.00 0.00 O ATOM 645 CB LEU B 4 -14.970 -5.009 3.957 1.00 0.00 C ATOM 646 CG LEU B 4 -14.111 -6.237 4.309 1.00 0.00 C ATOM 647 CD1 LEU B 4 -13.855 -6.303 5.824 1.00 0.00 C ATOM 648 CD2 LEU B 4 -14.851 -7.502 3.860 1.00 0.00 C ATOM 0 H LEU B 4 -15.945 -2.756 3.458 1.00 0.00 H new ATOM 0 HA LEU B 4 -13.712 -3.678 5.097 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.841 -4.968 4.611 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -15.342 -5.099 2.936 1.00 0.00 H new ATOM 0 HG LEU B 4 -13.150 -6.160 3.800 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -13.246 -7.178 6.052 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -13.331 -5.403 6.144 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.806 -6.375 6.351 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -14.252 -8.380 4.104 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -15.811 -7.563 4.373 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -15.017 -7.464 2.783 1.00 0.00 H new ATOM 660 N LEU B 5 -13.359 -3.450 1.818 1.00 0.00 N ATOM 661 CA LEU B 5 -12.305 -3.420 0.763 1.00 0.00 C ATOM 662 C LEU B 5 -11.295 -2.316 1.091 1.00 0.00 C ATOM 663 O LEU B 5 -10.099 -2.524 1.046 1.00 0.00 O ATOM 664 CB LEU B 5 -12.953 -3.142 -0.604 1.00 0.00 C ATOM 665 CG LEU B 5 -13.547 -4.433 -1.180 1.00 0.00 C ATOM 666 CD1 LEU B 5 -14.728 -4.889 -0.322 1.00 0.00 C ATOM 667 CD2 LEU B 5 -14.032 -4.173 -2.609 1.00 0.00 C ATOM 0 H LEU B 5 -14.308 -3.268 1.491 1.00 0.00 H new ATOM 0 HA LEU B 5 -11.794 -4.382 0.727 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -13.734 -2.389 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -12.210 -2.736 -1.291 1.00 0.00 H new ATOM 0 HG LEU B 5 -12.783 -5.210 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.146 -5.807 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -14.388 -5.073 0.697 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.493 -4.113 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.455 -5.089 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -14.794 -3.394 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.193 -3.851 -3.225 1.00 0.00 H new ATOM 679 N ASP B 6 -11.764 -1.145 1.423 1.00 0.00 N ATOM 680 CA ASP B 6 -10.826 -0.034 1.753 1.00 0.00 C ATOM 681 C ASP B 6 -9.997 -0.413 2.982 1.00 0.00 C ATOM 682 O ASP B 6 -8.839 -0.061 3.094 1.00 0.00 O ATOM 683 CB ASP B 6 -11.625 1.238 2.050 1.00 0.00 C ATOM 684 CG ASP B 6 -12.387 1.667 0.795 1.00 0.00 C ATOM 685 OD1 ASP B 6 -12.029 1.211 -0.277 1.00 0.00 O ATOM 686 OD2 ASP B 6 -13.317 2.446 0.929 1.00 0.00 O ATOM 0 H ASP B 6 -12.755 -0.909 1.480 1.00 0.00 H new ATOM 0 HA ASP B 6 -10.162 0.143 0.907 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -12.322 1.059 2.868 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.954 2.035 2.371 1.00 0.00 H new ATOM 691 N GLY B 7 -10.580 -1.123 3.907 1.00 0.00 N ATOM 692 CA GLY B 7 -9.828 -1.519 5.131 1.00 0.00 C ATOM 693 C GLY B 7 -8.602 -2.347 4.742 1.00 0.00 C ATOM 694 O GLY B 7 -7.491 -2.045 5.128 1.00 0.00 O ATOM 0 H GLY B 7 -11.546 -1.447 3.868 1.00 0.00 H new ATOM 0 HA2 GLY B 7 -9.518 -0.631 5.682 1.00 0.00 H new ATOM 0 HA3 GLY B 7 -10.473 -2.096 5.794 1.00 0.00 H new ATOM 698 N ILE B 8 -8.793 -3.393 3.987 1.00 0.00 N ATOM 699 CA ILE B 8 -7.635 -4.241 3.583 1.00 0.00 C ATOM 700 C ILE B 8 -6.664 -3.424 2.726 1.00 0.00 C ATOM 701 O ILE B 8 -5.476 -3.386 2.985 1.00 0.00 O ATOM 702 CB ILE B 8 -8.140 -5.442 2.781 1.00 0.00 C ATOM 703 CG1 ILE B 8 -9.074 -6.282 3.657 1.00 0.00 C ATOM 704 CG2 ILE B 8 -6.951 -6.298 2.338 1.00 0.00 C ATOM 705 CD1 ILE B 8 -9.802 -7.309 2.787 1.00 0.00 C ATOM 0 H ILE B 8 -9.699 -3.698 3.632 1.00 0.00 H new ATOM 0 HA ILE B 8 -7.116 -4.589 4.476 1.00 0.00 H new ATOM 0 HB ILE B 8 -8.681 -5.091 1.903 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -8.503 -6.788 4.435 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -9.796 -5.638 4.159 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -7.311 -7.153 1.767 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -6.285 -5.701 1.716 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -6.409 -6.650 3.216 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -10.467 -7.907 3.410 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -10.386 -6.792 2.025 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -9.073 -7.960 2.305 1.00 0.00 H new ATOM 717 N LEU B 9 -7.151 -2.774 1.705 1.00 0.00 N ATOM 718 CA LEU B 9 -6.247 -1.969 0.833 1.00 0.00 C ATOM 719 C LEU B 9 -5.574 -0.872 1.663 1.00 0.00 C ATOM 720 O LEU B 9 -4.396 -0.609 1.521 1.00 0.00 O ATOM 721 CB LEU B 9 -7.061 -1.326 -0.294 1.00 0.00 C ATOM 722 CG LEU B 9 -7.803 -2.407 -1.090 1.00 0.00 C ATOM 723 CD1 LEU B 9 -8.821 -1.738 -2.017 1.00 0.00 C ATOM 724 CD2 LEU B 9 -6.809 -3.227 -1.928 1.00 0.00 C ATOM 0 H LEU B 9 -8.135 -2.765 1.436 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.485 -2.621 0.406 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -7.775 -0.615 0.122 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.401 -0.765 -0.955 1.00 0.00 H new ATOM 0 HG LEU B 9 -8.314 -3.075 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -9.352 -2.501 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -9.534 -1.167 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -8.303 -1.069 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -7.349 -3.991 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.288 -2.568 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -6.084 -3.705 -1.269 1.00 0.00 H new ATOM 736 N PHE B 10 -6.313 -0.220 2.519 1.00 0.00 N ATOM 737 CA PHE B 10 -5.711 0.866 3.346 1.00 0.00 C ATOM 738 C PHE B 10 -4.648 0.283 4.279 1.00 0.00 C ATOM 739 O PHE B 10 -3.520 0.735 4.307 1.00 0.00 O ATOM 740 CB PHE B 10 -6.803 1.539 4.181 1.00 0.00 C ATOM 741 CG PHE B 10 -6.187 2.626 5.030 1.00 0.00 C ATOM 742 CD1 PHE B 10 -5.912 3.880 4.470 1.00 0.00 C ATOM 743 CD2 PHE B 10 -5.890 2.380 6.376 1.00 0.00 C ATOM 744 CE1 PHE B 10 -5.339 4.887 5.256 1.00 0.00 C ATOM 745 CE2 PHE B 10 -5.318 3.387 7.162 1.00 0.00 C ATOM 746 CZ PHE B 10 -5.043 4.641 6.602 1.00 0.00 C ATOM 0 H PHE B 10 -7.305 -0.391 2.682 1.00 0.00 H new ATOM 0 HA PHE B 10 -5.248 1.600 2.687 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -7.567 1.961 3.528 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -7.297 0.803 4.815 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -6.142 4.070 3.432 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -6.102 1.413 6.808 1.00 0.00 H new ATOM 0 HE1 PHE B 10 -5.125 5.853 4.824 1.00 0.00 H new ATOM 0 HE2 PHE B 10 -5.089 3.197 8.200 1.00 0.00 H new ATOM 0 HZ PHE B 10 -4.602 5.418 7.209 1.00 0.00 H new ATOM 756 N ILE B 11 -4.996 -0.712 5.048 1.00 0.00 N ATOM 757 CA ILE B 11 -4.002 -1.314 5.980 1.00 0.00 C ATOM 758 C ILE B 11 -2.769 -1.762 5.193 1.00 0.00 C ATOM 759 O ILE B 11 -1.647 -1.554 5.609 1.00 0.00 O ATOM 760 CB ILE B 11 -4.631 -2.516 6.686 1.00 0.00 C ATOM 761 CG1 ILE B 11 -5.757 -2.028 7.601 1.00 0.00 C ATOM 762 CG2 ILE B 11 -3.570 -3.237 7.522 1.00 0.00 C ATOM 763 CD1 ILE B 11 -6.605 -3.219 8.049 1.00 0.00 C ATOM 0 H ILE B 11 -5.925 -1.134 5.071 1.00 0.00 H new ATOM 0 HA ILE B 11 -3.703 -0.575 6.723 1.00 0.00 H new ATOM 0 HB ILE B 11 -5.032 -3.206 5.944 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -5.339 -1.519 8.469 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.378 -1.303 7.075 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.022 -4.093 8.024 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -2.766 -3.581 6.871 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -3.166 -2.551 8.267 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -7.406 -2.870 8.700 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -7.035 -3.709 7.175 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -5.979 -3.928 8.591 1.00 0.00 H new ATOM 775 N TYR B 12 -2.967 -2.370 4.057 1.00 0.00 N ATOM 776 CA TYR B 12 -1.803 -2.822 3.247 1.00 0.00 C ATOM 777 C TYR B 12 -0.928 -1.616 2.902 1.00 0.00 C ATOM 778 O TYR B 12 0.282 -1.700 2.888 1.00 0.00 O ATOM 779 CB TYR B 12 -2.298 -3.477 1.955 1.00 0.00 C ATOM 780 CG TYR B 12 -1.115 -3.833 1.083 1.00 0.00 C ATOM 781 CD1 TYR B 12 -0.488 -5.077 1.225 1.00 0.00 C ATOM 782 CD2 TYR B 12 -0.643 -2.916 0.134 1.00 0.00 C ATOM 783 CE1 TYR B 12 0.608 -5.406 0.419 1.00 0.00 C ATOM 784 CE2 TYR B 12 0.454 -3.246 -0.673 1.00 0.00 C ATOM 785 CZ TYR B 12 1.080 -4.491 -0.530 1.00 0.00 C ATOM 786 OH TYR B 12 2.159 -4.817 -1.325 1.00 0.00 O ATOM 0 H TYR B 12 -3.882 -2.573 3.655 1.00 0.00 H new ATOM 0 HA TYR B 12 -1.222 -3.545 3.819 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.875 -4.372 2.187 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.964 -2.798 1.423 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -0.850 -5.783 1.957 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -1.125 -1.955 0.025 1.00 0.00 H new ATOM 0 HE1 TYR B 12 1.090 -6.366 0.529 1.00 0.00 H new ATOM 0 HE2 TYR B 12 0.817 -2.540 -1.405 1.00 0.00 H new ATOM 0 HH TYR B 12 2.297 -4.114 -1.993 1.00 0.00 H new ATOM 796 N GLY B 13 -1.531 -0.495 2.617 1.00 0.00 N ATOM 797 CA GLY B 13 -0.733 0.713 2.263 1.00 0.00 C ATOM 798 C GLY B 13 0.126 1.148 3.455 1.00 0.00 C ATOM 799 O GLY B 13 1.279 1.497 3.304 1.00 0.00 O ATOM 0 H GLY B 13 -2.542 -0.363 2.614 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -0.096 0.498 1.405 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.399 1.525 1.970 1.00 0.00 H new ATOM 803 N VAL B 14 -0.431 1.142 4.635 1.00 0.00 N ATOM 804 CA VAL B 14 0.349 1.570 5.833 1.00 0.00 C ATOM 805 C VAL B 14 1.476 0.573 6.123 1.00 0.00 C ATOM 806 O VAL B 14 2.606 0.954 6.361 1.00 0.00 O ATOM 807 CB VAL B 14 -0.583 1.641 7.043 1.00 0.00 C ATOM 808 CG1 VAL B 14 0.228 1.993 8.291 1.00 0.00 C ATOM 809 CG2 VAL B 14 -1.643 2.719 6.808 1.00 0.00 C ATOM 0 H VAL B 14 -1.393 0.859 4.822 1.00 0.00 H new ATOM 0 HA VAL B 14 0.785 2.550 5.638 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.069 0.675 7.183 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -0.436 2.044 9.154 1.00 0.00 H new ATOM 0 HG12 VAL B 14 0.986 1.228 8.460 1.00 0.00 H new ATOM 0 HG13 VAL B 14 0.713 2.959 8.149 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.308 2.770 7.670 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -1.156 3.684 6.668 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -2.222 2.472 5.918 1.00 0.00 H new ATOM 819 N ILE B 15 1.179 -0.697 6.125 1.00 0.00 N ATOM 820 CA ILE B 15 2.232 -1.711 6.421 1.00 0.00 C ATOM 821 C ILE B 15 3.308 -1.697 5.332 1.00 0.00 C ATOM 822 O ILE B 15 4.485 -1.814 5.611 1.00 0.00 O ATOM 823 CB ILE B 15 1.594 -3.100 6.491 1.00 0.00 C ATOM 824 CG1 ILE B 15 0.490 -3.095 7.552 1.00 0.00 C ATOM 825 CG2 ILE B 15 2.662 -4.130 6.866 1.00 0.00 C ATOM 826 CD1 ILE B 15 -0.255 -4.430 7.525 1.00 0.00 C ATOM 0 H ILE B 15 0.252 -1.078 5.934 1.00 0.00 H new ATOM 0 HA ILE B 15 2.697 -1.469 7.377 1.00 0.00 H new ATOM 0 HB ILE B 15 1.166 -3.358 5.522 1.00 0.00 H new ATOM 0 HG12 ILE B 15 0.921 -2.928 8.539 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -0.204 -2.276 7.365 1.00 0.00 H new ATOM 0 HG21 ILE B 15 2.210 -5.121 6.917 1.00 0.00 H new ATOM 0 HG22 ILE B 15 3.450 -4.128 6.112 1.00 0.00 H new ATOM 0 HG23 ILE B 15 3.088 -3.876 7.836 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.040 -4.424 8.281 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.700 -4.579 6.541 1.00 0.00 H new ATOM 0 HD13 ILE B 15 0.443 -5.241 7.734 1.00 0.00 H new ATOM 838 N LEU B 16 2.921 -1.563 4.095 1.00 0.00 N ATOM 839 CA LEU B 16 3.930 -1.553 2.998 1.00 0.00 C ATOM 840 C LEU B 16 4.773 -0.274 3.094 1.00 0.00 C ATOM 841 O LEU B 16 5.969 -0.290 2.882 1.00 0.00 O ATOM 842 CB LEU B 16 3.198 -1.617 1.642 1.00 0.00 C ATOM 843 CG LEU B 16 4.059 -2.323 0.574 1.00 0.00 C ATOM 844 CD1 LEU B 16 5.450 -1.681 0.515 1.00 0.00 C ATOM 845 CD2 LEU B 16 4.191 -3.831 0.885 1.00 0.00 C ATOM 0 H LEU B 16 1.951 -1.460 3.795 1.00 0.00 H new ATOM 0 HA LEU B 16 4.591 -2.415 3.087 1.00 0.00 H new ATOM 0 HB2 LEU B 16 2.254 -2.148 1.761 1.00 0.00 H new ATOM 0 HB3 LEU B 16 2.956 -0.608 1.309 1.00 0.00 H new ATOM 0 HG LEU B 16 3.568 -2.211 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.052 -2.185 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU B 16 5.353 -0.626 0.258 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.935 -1.775 1.486 1.00 0.00 H new ATOM 0 HD21 LEU B 16 4.802 -4.308 0.119 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.663 -3.962 1.859 1.00 0.00 H new ATOM 0 HD23 LEU B 16 3.202 -4.288 0.897 1.00 0.00 H new ATOM 857 N THR B 17 4.159 0.834 3.408 1.00 0.00 N ATOM 858 CA THR B 17 4.927 2.109 3.510 1.00 0.00 C ATOM 859 C THR B 17 5.899 2.040 4.692 1.00 0.00 C ATOM 860 O THR B 17 7.022 2.497 4.612 1.00 0.00 O ATOM 861 CB THR B 17 3.954 3.272 3.717 1.00 0.00 C ATOM 862 OG1 THR B 17 2.945 3.228 2.718 1.00 0.00 O ATOM 863 CG2 THR B 17 4.712 4.597 3.620 1.00 0.00 C ATOM 0 H THR B 17 3.160 0.912 3.598 1.00 0.00 H new ATOM 0 HA THR B 17 5.493 2.262 2.591 1.00 0.00 H new ATOM 0 HB THR B 17 3.494 3.190 4.702 1.00 0.00 H new ATOM 0 HG1 THR B 17 2.118 2.870 3.104 1.00 0.00 H new ATOM 0 HG21 THR B 17 4.018 5.425 3.768 1.00 0.00 H new ATOM 0 HG22 THR B 17 5.485 4.631 4.387 1.00 0.00 H new ATOM 0 HG23 THR B 17 5.173 4.681 2.636 1.00 0.00 H new ATOM 871 N ALA B 18 5.475 1.477 5.792 1.00 0.00 N ATOM 872 CA ALA B 18 6.373 1.387 6.979 1.00 0.00 C ATOM 873 C ALA B 18 7.639 0.603 6.615 1.00 0.00 C ATOM 874 O ALA B 18 8.743 1.030 6.888 1.00 0.00 O ATOM 875 CB ALA B 18 5.640 0.676 8.119 1.00 0.00 C ATOM 0 H ALA B 18 4.546 1.076 5.919 1.00 0.00 H new ATOM 0 HA ALA B 18 6.653 2.392 7.296 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.295 0.610 8.987 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.744 1.239 8.383 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.357 -0.327 7.800 1.00 0.00 H new ATOM 881 N LEU B 19 7.488 -0.539 6.003 1.00 0.00 N ATOM 882 CA LEU B 19 8.682 -1.347 5.624 1.00 0.00 C ATOM 883 C LEU B 19 9.562 -0.547 4.661 1.00 0.00 C ATOM 884 O LEU B 19 10.772 -0.641 4.693 1.00 0.00 O ATOM 885 CB LEU B 19 8.230 -2.642 4.941 1.00 0.00 C ATOM 886 CG LEU B 19 7.292 -3.424 5.871 1.00 0.00 C ATOM 887 CD1 LEU B 19 6.593 -4.525 5.071 1.00 0.00 C ATOM 888 CD2 LEU B 19 8.089 -4.059 7.021 1.00 0.00 C ATOM 0 H LEU B 19 6.589 -0.948 5.749 1.00 0.00 H new ATOM 0 HA LEU B 19 9.252 -1.587 6.522 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.720 -2.411 4.006 1.00 0.00 H new ATOM 0 HB3 LEU B 19 9.097 -3.252 4.688 1.00 0.00 H new ATOM 0 HG LEU B 19 6.553 -2.740 6.288 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.925 -5.084 5.727 1.00 0.00 H new ATOM 0 HD12 LEU B 19 6.016 -4.077 4.262 1.00 0.00 H new ATOM 0 HD13 LEU B 19 7.339 -5.200 4.653 1.00 0.00 H new ATOM 0 HD21 LEU B 19 7.411 -4.610 7.673 1.00 0.00 H new ATOM 0 HD22 LEU B 19 8.835 -4.741 6.613 1.00 0.00 H new ATOM 0 HD23 LEU B 19 8.587 -3.277 7.594 1.00 0.00 H new ATOM 900 N PHE B 20 8.969 0.236 3.805 1.00 0.00 N ATOM 901 CA PHE B 20 9.786 1.035 2.847 1.00 0.00 C ATOM 902 C PHE B 20 10.645 2.039 3.619 1.00 0.00 C ATOM 903 O PHE B 20 11.839 2.134 3.416 1.00 0.00 O ATOM 904 CB PHE B 20 8.862 1.785 1.888 1.00 0.00 C ATOM 905 CG PHE B 20 9.688 2.659 0.976 1.00 0.00 C ATOM 906 CD1 PHE B 20 10.169 2.148 -0.237 1.00 0.00 C ATOM 907 CD2 PHE B 20 9.971 3.980 1.341 1.00 0.00 C ATOM 908 CE1 PHE B 20 10.933 2.960 -1.084 1.00 0.00 C ATOM 909 CE2 PHE B 20 10.735 4.792 0.494 1.00 0.00 C ATOM 910 CZ PHE B 20 11.216 4.282 -0.718 1.00 0.00 C ATOM 0 H PHE B 20 7.959 0.358 3.726 1.00 0.00 H new ATOM 0 HA PHE B 20 10.433 0.367 2.279 1.00 0.00 H new ATOM 0 HB2 PHE B 20 8.278 1.077 1.300 1.00 0.00 H new ATOM 0 HB3 PHE B 20 8.154 2.394 2.450 1.00 0.00 H new ATOM 0 HD1 PHE B 20 9.951 1.128 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE B 20 9.600 4.373 2.276 1.00 0.00 H new ATOM 0 HE1 PHE B 20 11.304 2.567 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE B 20 10.953 5.812 0.776 1.00 0.00 H new ATOM 0 HZ PHE B 20 11.806 4.908 -1.371 1.00 0.00 H new ATOM 920 N LEU B 21 10.047 2.793 4.501 1.00 0.00 N ATOM 921 CA LEU B 21 10.833 3.793 5.280 1.00 0.00 C ATOM 922 C LEU B 21 11.872 3.071 6.140 1.00 0.00 C ATOM 923 O LEU B 21 13.006 3.495 6.243 1.00 0.00 O ATOM 924 CB LEU B 21 9.890 4.590 6.185 1.00 0.00 C ATOM 925 CG LEU B 21 8.822 5.296 5.335 1.00 0.00 C ATOM 926 CD1 LEU B 21 7.671 5.747 6.239 1.00 0.00 C ATOM 927 CD2 LEU B 21 9.422 6.522 4.631 1.00 0.00 C ATOM 0 H LEU B 21 9.050 2.760 4.716 1.00 0.00 H new ATOM 0 HA LEU B 21 11.339 4.471 4.592 1.00 0.00 H new ATOM 0 HB2 LEU B 21 9.413 3.924 6.904 1.00 0.00 H new ATOM 0 HB3 LEU B 21 10.456 5.325 6.757 1.00 0.00 H new ATOM 0 HG LEU B 21 8.455 4.599 4.582 1.00 0.00 H new ATOM 0 HD11 LEU B 21 6.912 6.248 5.639 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.231 4.878 6.729 1.00 0.00 H new ATOM 0 HD13 LEU B 21 8.050 6.436 6.994 1.00 0.00 H new ATOM 0 HD21 LEU B 21 8.653 7.011 4.033 1.00 0.00 H new ATOM 0 HD22 LEU B 21 9.801 7.221 5.377 1.00 0.00 H new ATOM 0 HD23 LEU B 21 10.239 6.206 3.983 1.00 0.00 H new ATOM 939 N ARG B 22 11.497 1.987 6.760 1.00 0.00 N ATOM 940 CA ARG B 22 12.468 1.246 7.613 1.00 0.00 C ATOM 941 C ARG B 22 13.710 0.900 6.789 1.00 0.00 C ATOM 942 O ARG B 22 14.824 0.968 7.268 1.00 0.00 O ATOM 943 CB ARG B 22 11.816 -0.040 8.125 1.00 0.00 C ATOM 944 CG ARG B 22 12.724 -0.694 9.169 1.00 0.00 C ATOM 945 CD ARG B 22 12.104 -2.016 9.628 1.00 0.00 C ATOM 946 NE ARG B 22 12.787 -2.479 10.869 1.00 0.00 N ATOM 947 CZ ARG B 22 12.242 -3.411 11.603 1.00 0.00 C ATOM 948 NH1 ARG B 22 11.112 -3.953 11.239 1.00 0.00 N ATOM 949 NH2 ARG B 22 12.832 -3.807 12.698 1.00 0.00 N ATOM 0 H ARG B 22 10.562 1.583 6.713 1.00 0.00 H new ATOM 0 HA ARG B 22 12.758 1.867 8.460 1.00 0.00 H new ATOM 0 HB2 ARG B 22 10.843 0.183 8.563 1.00 0.00 H new ATOM 0 HB3 ARG B 22 11.643 -0.727 7.297 1.00 0.00 H new ATOM 0 HG2 ARG B 22 13.713 -0.871 8.746 1.00 0.00 H new ATOM 0 HG3 ARG B 22 12.856 -0.027 10.021 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.038 -1.885 9.814 1.00 0.00 H new ATOM 0 HD3 ARG B 22 12.201 -2.767 8.844 1.00 0.00 H new ATOM 0 HE ARG B 22 13.679 -2.068 11.145 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.654 -3.649 10.380 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.687 -4.681 11.813 1.00 0.00 H new ATOM 0 HH21 ARG B 22 13.718 -3.388 12.980 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.407 -4.535 13.272 1.00 0.00 H new ATOM 963 N VAL B 23 13.529 0.533 5.549 1.00 0.00 N ATOM 964 CA VAL B 23 14.699 0.190 4.693 1.00 0.00 C ATOM 965 C VAL B 23 15.481 1.464 4.365 1.00 0.00 C ATOM 966 O VAL B 23 16.673 1.429 4.131 1.00 0.00 O ATOM 967 CB VAL B 23 14.209 -0.461 3.396 1.00 0.00 C ATOM 968 CG1 VAL B 23 15.391 -0.671 2.447 1.00 0.00 C ATOM 969 CG2 VAL B 23 13.570 -1.814 3.715 1.00 0.00 C ATOM 0 H VAL B 23 12.620 0.456 5.092 1.00 0.00 H new ATOM 0 HA VAL B 23 15.348 -0.506 5.224 1.00 0.00 H new ATOM 0 HB VAL B 23 13.474 0.189 2.922 1.00 0.00 H new ATOM 0 HG11 VAL B 23 15.040 -1.134 1.525 1.00 0.00 H new ATOM 0 HG12 VAL B 23 15.849 0.291 2.218 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.128 -1.320 2.921 1.00 0.00 H new ATOM 0 HG21 VAL B 23 13.221 -2.278 2.793 1.00 0.00 H new ATOM 0 HG22 VAL B 23 14.307 -2.461 4.191 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.726 -1.668 4.389 1.00 0.00 H new ATOM 979 N LYS B 24 14.820 2.589 4.342 1.00 0.00 N ATOM 980 CA LYS B 24 15.526 3.862 4.024 1.00 0.00 C ATOM 981 C LYS B 24 16.694 4.059 4.998 1.00 0.00 C ATOM 982 O LYS B 24 17.781 4.430 4.605 1.00 0.00 O ATOM 983 CB LYS B 24 14.545 5.035 4.155 1.00 0.00 C ATOM 984 CG LYS B 24 15.165 6.317 3.571 1.00 0.00 C ATOM 985 CD LYS B 24 14.983 6.357 2.047 1.00 0.00 C ATOM 986 CE LYS B 24 15.363 7.744 1.527 1.00 0.00 C ATOM 987 NZ LYS B 24 14.320 8.728 1.934 1.00 0.00 N ATOM 0 H LYS B 24 13.822 2.681 4.530 1.00 0.00 H new ATOM 0 HA LYS B 24 15.910 3.820 3.005 1.00 0.00 H new ATOM 0 HB2 LYS B 24 13.617 4.802 3.634 1.00 0.00 H new ATOM 0 HB3 LYS B 24 14.291 5.191 5.204 1.00 0.00 H new ATOM 0 HG2 LYS B 24 14.697 7.192 4.022 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.226 6.360 3.818 1.00 0.00 H new ATOM 0 HD2 LYS B 24 15.605 5.596 1.575 1.00 0.00 H new ATOM 0 HD3 LYS B 24 13.949 6.130 1.787 1.00 0.00 H new ATOM 0 HE2 LYS B 24 16.333 8.040 1.925 1.00 0.00 H new ATOM 0 HE3 LYS B 24 15.456 7.724 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 14.345 9.546 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 13.383 8.280 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 14.503 9.046 2.907 1.00 0.00 H new ATOM 1001 N PHE B 25 16.478 3.810 6.266 1.00 0.00 N ATOM 1002 CA PHE B 25 17.578 3.979 7.267 1.00 0.00 C ATOM 1003 C PHE B 25 17.465 2.894 8.341 1.00 0.00 C ATOM 1004 O PHE B 25 16.382 2.495 8.723 1.00 0.00 O ATOM 1005 CB PHE B 25 17.467 5.360 7.920 1.00 0.00 C ATOM 1006 CG PHE B 25 16.059 5.574 8.419 1.00 0.00 C ATOM 1007 CD1 PHE B 25 15.676 5.075 9.671 1.00 0.00 C ATOM 1008 CD2 PHE B 25 15.135 6.271 7.631 1.00 0.00 C ATOM 1009 CE1 PHE B 25 14.369 5.273 10.133 1.00 0.00 C ATOM 1010 CE2 PHE B 25 13.829 6.470 8.094 1.00 0.00 C ATOM 1011 CZ PHE B 25 13.446 5.972 9.345 1.00 0.00 C ATOM 0 H PHE B 25 15.587 3.497 6.652 1.00 0.00 H new ATOM 0 HA PHE B 25 18.542 3.892 6.765 1.00 0.00 H new ATOM 0 HB2 PHE B 25 18.172 5.440 8.747 1.00 0.00 H new ATOM 0 HB3 PHE B 25 17.730 6.135 7.201 1.00 0.00 H new ATOM 0 HD1 PHE B 25 16.389 4.538 10.279 1.00 0.00 H new ATOM 0 HD2 PHE B 25 15.430 6.655 6.666 1.00 0.00 H new ATOM 0 HE1 PHE B 25 14.073 4.887 11.097 1.00 0.00 H new ATOM 0 HE2 PHE B 25 13.117 7.008 7.486 1.00 0.00 H new ATOM 0 HZ PHE B 25 12.439 6.127 9.702 1.00 0.00 H new ATOM 1021 N SER B 26 18.580 2.410 8.829 1.00 0.00 N ATOM 1022 CA SER B 26 18.550 1.344 9.878 1.00 0.00 C ATOM 1023 C SER B 26 18.668 1.980 11.266 1.00 0.00 C ATOM 1024 O SER B 26 19.025 1.329 12.227 1.00 0.00 O ATOM 1025 CB SER B 26 19.723 0.389 9.661 1.00 0.00 C ATOM 1026 OG SER B 26 19.578 -0.257 8.404 1.00 0.00 O ATOM 0 H SER B 26 19.513 2.708 8.545 1.00 0.00 H new ATOM 0 HA SER B 26 17.610 0.797 9.809 1.00 0.00 H new ATOM 0 HB2 SER B 26 20.664 0.938 9.694 1.00 0.00 H new ATOM 0 HB3 SER B 26 19.757 -0.351 10.461 1.00 0.00 H new ATOM 0 HG SER B 26 20.330 -0.869 8.262 1.00 0.00 H new ATOM 1032 N ARG B 27 18.374 3.247 11.378 1.00 0.00 N ATOM 1033 CA ARG B 27 18.470 3.924 12.705 1.00 0.00 C ATOM 1034 C ARG B 27 19.863 3.700 13.296 1.00 0.00 C ATOM 1035 O ARG B 27 20.861 3.782 12.608 1.00 0.00 O ATOM 1036 CB ARG B 27 17.416 3.349 13.655 1.00 0.00 C ATOM 1037 CG ARG B 27 16.027 3.519 13.038 1.00 0.00 C ATOM 1038 CD ARG B 27 14.961 3.150 14.071 1.00 0.00 C ATOM 1039 NE ARG B 27 13.631 3.093 13.404 1.00 0.00 N ATOM 1040 CZ ARG B 27 12.622 2.527 14.005 1.00 0.00 C ATOM 1041 NH1 ARG B 27 12.778 2.005 15.191 1.00 0.00 N ATOM 1042 NH2 ARG B 27 11.457 2.480 13.419 1.00 0.00 N ATOM 0 H ARG B 27 18.071 3.844 10.608 1.00 0.00 H new ATOM 0 HA ARG B 27 18.297 4.992 12.576 1.00 0.00 H new ATOM 0 HB2 ARG B 27 17.616 2.294 13.842 1.00 0.00 H new ATOM 0 HB3 ARG B 27 17.463 3.858 14.618 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.888 4.548 12.708 1.00 0.00 H new ATOM 0 HG3 ARG B 27 15.929 2.885 12.156 1.00 0.00 H new ATOM 0 HD2 ARG B 27 15.195 2.187 14.525 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.947 3.886 14.875 1.00 0.00 H new ATOM 0 HE ARG B 27 13.509 3.497 12.476 1.00 0.00 H new ATOM 0 HH11 ARG B 27 13.689 2.040 15.648 1.00 0.00 H new ATOM 0 HH12 ARG B 27 11.989 1.562 15.661 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.336 2.886 12.491 1.00 0.00 H new ATOM 0 HH22 ARG B 27 10.667 2.037 13.889 1.00 0.00 H new ATOM 1056 N SER B 28 19.940 3.423 14.569 1.00 0.00 N ATOM 1057 CA SER B 28 21.271 3.197 15.201 1.00 0.00 C ATOM 1058 C SER B 28 22.213 4.341 14.822 1.00 0.00 C ATOM 1059 O SER B 28 22.967 4.248 13.875 1.00 0.00 O ATOM 1060 CB SER B 28 21.851 1.875 14.701 1.00 0.00 C ATOM 1061 OG SER B 28 21.001 0.808 15.100 1.00 0.00 O ATOM 0 H SER B 28 19.141 3.344 15.198 1.00 0.00 H new ATOM 0 HA SER B 28 21.160 3.160 16.285 1.00 0.00 H new ATOM 0 HB2 SER B 28 21.945 1.894 13.615 1.00 0.00 H new ATOM 0 HB3 SER B 28 22.852 1.728 15.105 1.00 0.00 H new ATOM 0 HG SER B 28 21.370 -0.041 14.779 1.00 0.00 H new ATOM 1067 N ALA B 29 22.174 5.422 15.553 1.00 0.00 N ATOM 1068 CA ALA B 29 23.066 6.570 15.226 1.00 0.00 C ATOM 1069 C ALA B 29 24.502 6.071 15.061 1.00 0.00 C ATOM 1070 O ALA B 29 25.252 6.568 14.244 1.00 0.00 O ATOM 1071 CB ALA B 29 23.011 7.598 16.359 1.00 0.00 C ATOM 0 H ALA B 29 21.565 5.559 16.360 1.00 0.00 H new ATOM 0 HA ALA B 29 22.734 7.034 14.297 1.00 0.00 H new ATOM 0 HB1 ALA B 29 23.663 8.438 16.120 1.00 0.00 H new ATOM 0 HB2 ALA B 29 21.988 7.955 16.477 1.00 0.00 H new ATOM 0 HB3 ALA B 29 23.342 7.134 17.288 1.00 0.00 H new ATOM 1077 N ASP B 30 24.893 5.090 15.829 1.00 0.00 N ATOM 1078 CA ASP B 30 26.281 4.560 15.714 1.00 0.00 C ATOM 1079 C ASP B 30 27.277 5.721 15.743 1.00 0.00 C ATOM 1080 O ASP B 30 27.886 5.977 14.721 1.00 0.00 O ATOM 1081 CB ASP B 30 26.427 3.795 14.396 1.00 0.00 C ATOM 1082 CG ASP B 30 25.421 2.644 14.357 1.00 0.00 C ATOM 1083 OD1 ASP B 30 25.212 2.030 15.391 1.00 0.00 O ATOM 1084 OD2 ASP B 30 24.874 2.396 13.294 1.00 0.00 O ATOM 1085 OXT ASP B 30 27.399 6.337 16.789 1.00 0.00 O ATOM 0 H ASP B 30 24.311 4.633 16.531 1.00 0.00 H new ATOM 0 HA ASP B 30 26.483 3.889 16.549 1.00 0.00 H new ATOM 0 HB2 ASP B 30 26.260 4.466 13.554 1.00 0.00 H new ATOM 0 HB3 ASP B 30 27.441 3.408 14.299 1.00 0.00 H new TER 1090 ASP B 30