USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc=-0.00875 K(o=-0.0087,f=-1.6!) USER MOD Single : A 9 SER OG : rot -23:sc= 0.232 USER MOD Single : A 11 CYS SG : rot 72:sc= 1.02 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.0646 F(o=-0.82,f=0.065) USER MOD Single : A 21 MET CE :methyl -150:sc= -0.211 (180deg=-0.655) USER MOD Single : A 24 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.14 F(o=-1.2,f=-0.14) USER MOD Single : B 6 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-1.5!) USER MOD Single : B 9 SER OG : rot -30:sc= 0.263 USER MOD Single : B 11 CYS SG : rot 71:sc= 1.02 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.037 F(o=-0.83,f=0.037) USER MOD Single : B 21 MET CE :methyl -149:sc= -0.213 (180deg=-0.632) USER MOD Single : B 24 THR OG1 : rot 104:sc= 1.14 USER MOD Single : B 27 HIS :FLIP no HD1:sc= -0.138 F(o=-1.2,f=-0.14) USER MOD Single : C 6 GLN : amide:sc=-0.00424 K(o=-0.0042,f=-1.5!) USER MOD Single : C 9 SER OG : rot -29:sc= 0.273 USER MOD Single : C 11 CYS SG : rot 72:sc= 0.973 USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 16 SER OG : rot 180:sc= 0 USER MOD Single : C 19 HIS :FLIP no HE2:sc= 0.0484 F(o=-0.85,f=0.048) USER MOD Single : C 21 MET CE :methyl -149:sc= -0.196 (180deg=-0.647) USER MOD Single : C 24 THR OG1 : rot 115:sc= 1.19 USER MOD Single : C 27 HIS :FLIP no HD1:sc= -0.153 F(o=-1.3,f=-0.15) USER MOD Single : D 6 GLN : amide:sc= -0.0048 K(o=-0.0048,f=-1.5!) USER MOD Single : D 9 SER OG : rot -25:sc= 0.243 USER MOD Single : D 11 CYS SG : rot 71:sc= 0.976 USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 16 SER OG : rot 180:sc= 0 USER MOD Single : D 19 HIS :FLIP no HE2:sc= 0.0672 F(o=-0.91,f=0.067) USER MOD Single : D 21 MET CE :methyl -148:sc= -0.241 (180deg=-0.661) USER MOD Single : D 24 THR OG1 : rot 77:sc= 1.1 USER MOD Single : D 27 HIS :FLIP no HD1:sc= -0.137 F(o=-1.2,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 3 48.460 25.909 10.538 1.00 0.00 N0 ATOM 41 CA GLU A 3 47.135 25.377 10.278 1.00 0.00 C0 ATOM 42 C GLU A 3 46.434 25.013 11.586 1.00 0.00 C0 ATOM 43 O GLU A 3 47.086 24.799 12.610 1.00 0.00 O0 ATOM 44 CB GLU A 3 47.231 24.135 9.386 1.00 0.00 C0 ATOM 45 CG GLU A 3 47.969 23.024 10.135 1.00 0.00 C0 ATOM 46 CD GLU A 3 48.072 21.784 9.257 1.00 0.00 C0 ATOM 47 OE1 GLU A 3 47.558 21.821 8.151 1.00 0.00 O0 ATOM 48 OE2 GLU A 3 48.661 20.814 9.703 1.00 0.00 O1- ATOM 0 HA GLU A 3 46.553 26.145 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 3 46.233 23.798 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 3 47.757 24.377 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 3 48.966 23.364 10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 3 47.441 22.783 11.058 1.00 0.00 H new ATOM 55 N PRO A 4 45.132 24.925 11.566 1.00 0.00 N0 ATOM 56 CA PRO A 4 44.328 24.567 12.771 1.00 0.00 C0 ATOM 57 C PRO A 4 44.784 23.249 13.396 1.00 0.00 C0 ATOM 58 O PRO A 4 44.837 23.116 14.619 1.00 0.00 O0 ATOM 59 CB PRO A 4 42.900 24.443 12.229 1.00 0.00 C0 ATOM 60 CG PRO A 4 42.880 25.246 10.974 1.00 0.00 C0 ATOM 61 CD PRO A 4 44.278 25.165 10.392 1.00 0.00 C0 ATOM 0 HA PRO A 4 44.428 25.308 13.564 1.00 0.00 H new ATOM 0 HB2 PRO A 4 42.644 23.402 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 4 42.173 24.820 12.948 1.00 0.00 H new ATOM 0 HG2 PRO A 4 42.144 24.853 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 4 42.604 26.280 11.179 1.00 0.00 H new ATOM 0 HD2 PRO A 4 44.362 24.358 9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 4 44.552 26.087 9.879 1.00 0.00 H new ATOM 69 N PHE A 5 45.112 22.279 12.549 1.00 0.00 N0 ATOM 70 CA PHE A 5 45.563 20.977 13.028 1.00 0.00 C0 ATOM 71 C PHE A 5 46.162 20.166 11.884 1.00 0.00 C0 ATOM 72 O PHE A 5 47.374 19.962 11.823 1.00 0.00 O0 ATOM 73 CB PHE A 5 44.390 20.213 13.642 1.00 0.00 C0 ATOM 74 CG PHE A 5 44.552 20.160 15.141 1.00 0.00 C0 ATOM 75 CD1 PHE A 5 43.690 20.894 15.966 1.00 0.00 C0 ATOM 76 CD2 PHE A 5 45.565 19.378 15.708 1.00 0.00 C0 ATOM 77 CE1 PHE A 5 43.841 20.844 17.357 1.00 0.00 C0 ATOM 78 CE2 PHE A 5 45.715 19.328 17.099 1.00 0.00 C0 ATOM 79 CZ PHE A 5 44.854 20.061 17.923 1.00 0.00 C0 ATOM 0 H PHE A 5 45.075 22.368 11.534 1.00 0.00 H new ATOM 0 HA PHE A 5 46.330 21.133 13.787 1.00 0.00 H new ATOM 0 HB2 PHE A 5 43.450 20.701 13.384 1.00 0.00 H new ATOM 0 HB3 PHE A 5 44.347 19.203 13.234 1.00 0.00 H new ATOM 0 HD1 PHE A 5 42.909 21.498 15.529 1.00 0.00 H new ATOM 0 HD2 PHE A 5 46.231 18.813 15.072 1.00 0.00 H new ATOM 0 HE1 PHE A 5 43.176 21.409 17.993 1.00 0.00 H new ATOM 0 HE2 PHE A 5 46.496 18.723 17.536 1.00 0.00 H new ATOM 0 HZ PHE A 5 44.971 20.023 18.996 1.00 0.00 H new ATOM 89 N GLN A 6 45.304 19.710 10.978 1.00 0.00 N0 ATOM 90 CA GLN A 6 45.757 18.924 9.835 1.00 0.00 C0 ATOM 91 C GLN A 6 44.818 19.118 8.646 1.00 0.00 C0 ATOM 92 O GLN A 6 43.670 19.527 8.810 1.00 0.00 O0 ATOM 93 CB GLN A 6 45.813 17.440 10.207 1.00 0.00 C0 ATOM 94 CG GLN A 6 47.259 17.047 10.520 1.00 0.00 C0 ATOM 95 CD GLN A 6 47.295 15.666 11.165 1.00 0.00 C0 ATOM 96 OE1 GLN A 6 46.258 15.021 11.312 1.00 0.00 O0 ATOM 97 NE2 GLN A 6 48.436 15.173 11.565 1.00 0.00 N0 ATOM 0 H GLN A 6 44.297 19.869 11.012 1.00 0.00 H new ATOM 0 HA GLN A 6 46.754 19.265 9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 6 45.177 17.246 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 6 45.429 16.834 9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 6 47.851 17.046 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 6 47.708 17.782 11.188 1.00 0.00 H new ATOM 0 HE21 GLN A 6 49.295 15.710 11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 6 48.469 14.251 12.000 1.00 0.00 H new ATOM 106 N ILE A 7 45.313 18.810 7.455 1.00 0.00 N0 ATOM 107 CA ILE A 7 44.509 18.945 6.246 1.00 0.00 C0 ATOM 108 C ILE A 7 43.254 18.087 6.340 1.00 0.00 C0 ATOM 109 O ILE A 7 42.203 18.443 5.813 1.00 0.00 O0 ATOM 110 CB ILE A 7 45.333 18.535 5.024 1.00 0.00 C0 ATOM 111 CG1 ILE A 7 46.444 19.563 4.785 1.00 0.00 C0 ATOM 112 CG2 ILE A 7 44.425 18.478 3.794 1.00 0.00 C0 ATOM 113 CD1 ILE A 7 47.451 19.004 3.778 1.00 0.00 C0 ATOM 0 H ILE A 7 46.261 18.467 7.299 1.00 0.00 H new ATOM 0 HA ILE A 7 44.209 19.988 6.142 1.00 0.00 H new ATOM 0 HB ILE A 7 45.776 17.555 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 7 46.018 20.494 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 7 46.945 19.797 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 7 45.011 18.186 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 7 43.633 17.748 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 7 43.983 19.460 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 7 48.241 19.736 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 7 47.886 18.085 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 7 46.945 18.792 2.836 1.00 0.00 H new ATOM 125 N LEU A 8 43.377 16.949 7.006 1.00 0.00 N0 ATOM 126 CA LEU A 8 42.246 16.041 7.160 1.00 0.00 C0 ATOM 127 C LEU A 8 41.137 16.704 7.966 1.00 0.00 C0 ATOM 128 O LEU A 8 40.067 17.002 7.434 1.00 0.00 O0 ATOM 129 CB LEU A 8 42.691 14.750 7.860 1.00 0.00 C0 ATOM 130 CG LEU A 8 43.084 13.710 6.809 1.00 0.00 C0 ATOM 131 CD1 LEU A 8 41.826 13.189 6.103 1.00 0.00 C0 ATOM 132 CD2 LEU A 8 44.025 14.353 5.777 1.00 0.00 C0 ATOM 0 H LEU A 8 44.241 16.632 7.446 1.00 0.00 H new ATOM 0 HA LEU A 8 41.866 15.797 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 8 43.535 14.953 8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 8 41.884 14.365 8.484 1.00 0.00 H new ATOM 0 HG LEU A 8 43.594 12.879 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 8 42.109 12.448 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 41.162 12.730 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 8 41.312 14.018 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 8 44.305 13.612 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 8 43.517 15.186 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 44.921 14.718 6.279 1.00 0.00 H new ATOM 144 N SER A 9 41.400 16.930 9.249 1.00 0.00 N0 ATOM 145 CA SER A 9 40.416 17.559 10.126 1.00 0.00 C0 ATOM 146 C SER A 9 39.832 18.800 9.457 1.00 0.00 C0 ATOM 147 O SER A 9 38.662 19.130 9.654 1.00 0.00 O0 ATOM 148 CB SER A 9 41.076 17.958 11.445 1.00 0.00 C0 ATOM 149 OG SER A 9 42.098 18.914 11.187 1.00 0.00 O0 ATOM 0 H SER A 9 42.281 16.689 9.704 1.00 0.00 H new ATOM 0 HA SER A 9 39.615 16.846 10.321 1.00 0.00 H new ATOM 0 HB2 SER A 9 40.334 18.376 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 41.498 17.080 11.934 1.00 0.00 H new ATOM 0 HG SER A 9 42.401 18.827 10.259 1.00 0.00 H new ATOM 155 N ILE A 10 40.649 19.476 8.652 1.00 0.00 N0 ATOM 156 CA ILE A 10 40.189 20.666 7.945 1.00 0.00 C0 ATOM 157 C ILE A 10 39.189 20.299 6.845 1.00 0.00 C0 ATOM 158 O ILE A 10 38.129 20.921 6.712 1.00 0.00 O0 ATOM 159 CB ILE A 10 41.385 21.397 7.336 1.00 0.00 C0 ATOM 160 CG1 ILE A 10 42.215 22.033 8.454 1.00 0.00 C0 ATOM 161 CG2 ILE A 10 40.891 22.487 6.385 1.00 0.00 C0 ATOM 162 CD1 ILE A 10 43.596 22.423 7.916 1.00 0.00 C0 ATOM 0 H ILE A 10 41.621 19.223 8.475 1.00 0.00 H new ATOM 0 HA ILE A 10 39.686 21.318 8.659 1.00 0.00 H new ATOM 0 HB ILE A 10 42.000 20.687 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 10 41.704 22.914 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 42.322 21.334 9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 10 41.746 23.007 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 10 40.300 22.035 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 10 40.275 23.198 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 10 44.183 22.875 8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 10 44.108 21.534 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 10 43.481 23.138 7.101 1.00 0.00 H new ATOM 174 N CYS A 11 39.535 19.286 6.056 1.00 0.00 N0 ATOM 175 CA CYS A 11 38.663 18.849 4.974 1.00 0.00 C0 ATOM 176 C CYS A 11 37.322 18.388 5.533 1.00 0.00 C0 ATOM 177 O CYS A 11 36.265 18.787 5.045 1.00 0.00 O0 ATOM 178 CB CYS A 11 39.320 17.700 4.209 1.00 0.00 C0 ATOM 179 SG CYS A 11 40.739 18.327 3.276 1.00 0.00 S0 ATOM 0 H CYS A 11 40.403 18.758 6.145 1.00 0.00 H new ATOM 0 HA CYS A 11 38.498 19.687 4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 11 39.642 16.924 4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 11 38.600 17.242 3.531 1.00 0.00 H new ATOM 0 HG CYS A 11 41.701 18.625 4.098 1.00 0.00 H new ATOM 185 N SER A 12 37.373 17.549 6.565 1.00 0.00 N0 ATOM 186 CA SER A 12 36.155 17.046 7.187 1.00 0.00 C0 ATOM 187 C SER A 12 35.375 18.186 7.829 1.00 0.00 C0 ATOM 188 O SER A 12 34.155 18.136 7.912 1.00 0.00 O0 ATOM 189 CB SER A 12 36.502 16.001 8.248 1.00 0.00 C0 ATOM 190 OG SER A 12 37.032 14.844 7.612 1.00 0.00 O0 ATOM 0 H SER A 12 38.238 17.207 6.984 1.00 0.00 H new ATOM 0 HA SER A 12 35.538 16.586 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 12 37.228 16.408 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 12 35.613 15.740 8.822 1.00 0.00 H new ATOM 0 HG SER A 12 37.257 14.173 8.289 1.00 0.00 H new ATOM 196 N PHE A 13 36.089 19.207 8.288 1.00 0.00 N0 ATOM 197 CA PHE A 13 35.445 20.353 8.924 1.00 0.00 C0 ATOM 198 C PHE A 13 34.499 21.048 7.946 1.00 0.00 C0 ATOM 199 O PHE A 13 33.327 21.299 8.262 1.00 0.00 O0 ATOM 200 CB PHE A 13 36.507 21.347 9.400 1.00 0.00 C0 ATOM 201 CG PHE A 13 35.833 22.538 10.032 1.00 0.00 C0 ATOM 202 CD1 PHE A 13 35.432 22.485 11.371 1.00 0.00 C0 ATOM 203 CD2 PHE A 13 35.607 23.697 9.277 1.00 0.00 C0 ATOM 204 CE1 PHE A 13 34.806 23.591 11.958 1.00 0.00 C0 ATOM 205 CE2 PHE A 13 34.980 24.803 9.865 1.00 0.00 C0 ATOM 206 CZ PHE A 13 34.580 24.749 11.205 1.00 0.00 C0 ATOM 0 H PHE A 13 37.106 19.266 8.233 1.00 0.00 H new ATOM 0 HA PHE A 13 34.869 19.996 9.778 1.00 0.00 H new ATOM 0 HB2 PHE A 13 37.172 20.868 10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 13 37.123 21.668 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 13 35.605 21.591 11.952 1.00 0.00 H new ATOM 0 HD2 PHE A 13 35.916 23.737 8.243 1.00 0.00 H new ATOM 0 HE1 PHE A 13 34.497 23.551 12.992 1.00 0.00 H new ATOM 0 HE2 PHE A 13 34.805 25.697 9.285 1.00 0.00 H new ATOM 0 HZ PHE A 13 34.096 25.602 11.658 1.00 0.00 H new ATOM 216 N ILE A 14 35.005 21.336 6.746 1.00 0.00 N0 ATOM 217 CA ILE A 14 34.188 21.991 5.728 1.00 0.00 C0 ATOM 218 C ILE A 14 33.058 21.074 5.265 1.00 0.00 C0 ATOM 219 O ILE A 14 31.918 21.514 5.072 1.00 0.00 O0 ATOM 220 CB ILE A 14 35.058 22.389 4.535 1.00 0.00 C0 ATOM 221 CG1 ILE A 14 36.006 23.519 4.951 1.00 0.00 C0 ATOM 222 CG2 ILE A 14 34.168 22.867 3.388 1.00 0.00 C0 ATOM 223 CD1 ILE A 14 37.030 23.760 3.841 1.00 0.00 C0 ATOM 0 H ILE A 14 35.962 21.129 6.459 1.00 0.00 H new ATOM 0 HA ILE A 14 33.747 22.886 6.166 1.00 0.00 H new ATOM 0 HB ILE A 14 35.639 21.527 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 14 35.440 24.431 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 14 36.514 23.258 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 14 34.790 23.150 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 14 33.493 22.064 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 14 33.585 23.728 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 14 37.704 24.564 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 14 37.604 22.849 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 14 36.513 24.039 2.923 1.00 0.00 H new ATOM 235 N LEU A 15 33.383 19.797 5.087 1.00 0.00 N0 ATOM 236 CA LEU A 15 32.394 18.821 4.648 1.00 0.00 C0 ATOM 237 C LEU A 15 31.267 18.725 5.661 1.00 0.00 C0 ATOM 238 O LEU A 15 30.134 19.054 5.351 1.00 0.00 O0 ATOM 239 CB LEU A 15 33.049 17.451 4.465 1.00 0.00 C0 ATOM 240 CG LEU A 15 33.707 17.381 3.087 1.00 0.00 C0 ATOM 241 CD1 LEU A 15 34.719 16.235 3.064 1.00 0.00 C0 ATOM 242 CD2 LEU A 15 32.632 17.132 2.025 1.00 0.00 C0 ATOM 0 H LEU A 15 34.317 19.417 5.239 1.00 0.00 H new ATOM 0 HA LEU A 15 31.983 19.147 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 33.793 17.285 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.302 16.663 4.564 1.00 0.00 H new ATOM 0 HG LEU A 15 34.218 18.321 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.189 16.184 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 15 35.482 16.408 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.208 15.295 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.098 17.082 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 15 32.124 16.191 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.908 17.946 2.042 1.00 0.00 H new ATOM 254 N SER A 16 31.592 18.272 6.869 1.00 0.00 N0 ATOM 255 CA SER A 16 30.601 18.136 7.932 1.00 0.00 C0 ATOM 256 C SER A 16 29.714 19.374 7.973 1.00 0.00 C0 ATOM 257 O SER A 16 28.504 19.277 8.187 1.00 0.00 O0 ATOM 258 CB SER A 16 31.302 17.962 9.279 1.00 0.00 C0 ATOM 259 OG SER A 16 30.327 17.890 10.309 1.00 0.00 O0 ATOM 0 H SER A 16 32.536 17.992 7.136 1.00 0.00 H new ATOM 0 HA SER A 16 29.986 17.259 7.733 1.00 0.00 H new ATOM 0 HB2 SER A 16 31.908 17.056 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 16 31.979 18.797 9.461 1.00 0.00 H new ATOM 0 HG SER A 16 30.773 17.777 11.174 1.00 0.00 H new ATOM 265 N ALA A 17 30.322 20.543 7.759 1.00 0.00 N0 ATOM 266 CA ALA A 17 29.561 21.791 7.767 1.00 0.00 C0 ATOM 267 C ALA A 17 28.442 21.747 6.723 1.00 0.00 C0 ATOM 268 O ALA A 17 27.253 21.861 7.049 1.00 0.00 O0 ATOM 269 CB ALA A 17 30.495 22.961 7.458 1.00 0.00 C0 ATOM 0 H ALA A 17 31.321 20.650 7.581 1.00 0.00 H new ATOM 0 HA ALA A 17 29.116 21.921 8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 17 29.927 23.891 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.279 23.010 8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.946 22.817 6.476 1.00 0.00 H new ATOM 275 N LEU A 18 28.824 21.536 5.467 1.00 0.00 N0 ATOM 276 CA LEU A 18 27.840 21.448 4.393 1.00 0.00 C0 ATOM 277 C LEU A 18 26.946 20.230 4.574 1.00 0.00 C0 ATOM 278 O LEU A 18 25.856 20.155 3.999 1.00 0.00 O0 ATOM 279 CB LEU A 18 28.551 21.369 3.040 1.00 0.00 C0 ATOM 280 CG LEU A 18 28.670 22.769 2.437 1.00 0.00 C0 ATOM 281 CD1 LEU A 18 27.292 23.244 1.964 1.00 0.00 C0 ATOM 282 CD2 LEU A 18 29.214 23.740 3.495 1.00 0.00 C0 ATOM 0 H LEU A 18 29.793 21.424 5.170 1.00 0.00 H new ATOM 0 HA LEU A 18 27.217 22.342 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 18 29.541 20.931 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 27.996 20.718 2.365 1.00 0.00 H new ATOM 0 HG LEU A 18 29.353 22.740 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 18 27.379 24.242 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 26.909 22.556 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 26.606 23.272 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.298 24.738 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 18 28.534 23.769 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.196 23.404 3.827 1.00 0.00 H new ATOM 294 N HIS A 19 27.411 19.275 5.370 1.00 0.00 N0 ATOM 295 CA HIS A 19 26.655 18.060 5.620 1.00 0.00 C0 ATOM 296 C HIS A 19 25.425 18.351 6.459 1.00 0.00 C0 ATOM 297 O HIS A 19 24.338 17.924 6.119 1.00 0.00 O0 ATOM 298 CB HIS A 19 27.531 17.034 6.339 1.00 0.00 C0 ATOM 299 CG HIS A 19 26.886 15.679 6.258 1.00 0.00 C0 ATOM 300 ND1 HIS A 19 25.645 15.276 5.832 1.00 0.00 N0 flip ATOM 301 CD2 HIS A 19 27.546 14.520 6.648 1.00 0.00 C0 flip ATOM 302 CE1 HIS A 19 25.534 13.891 5.955 1.00 0.00 C0 flip ATOM 303 NE2 HIS A 19 26.706 13.487 6.450 1.00 0.00 N0 flip ATOM 0 H HIS A 19 28.309 19.321 5.852 1.00 0.00 H new ATOM 0 HA HIS A 19 26.336 17.657 4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 19 28.522 17.005 5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 19 27.666 17.322 7.381 1.00 0.00 H new ATOM 0 HD1 HIS A 19 24.915 15.895 5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 19 28.551 14.459 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 19 24.682 13.277 5.704 1.00 0.00 H new ATOM 311 N PHE A 20 25.608 19.093 7.540 1.00 0.00 N0 ATOM 312 CA PHE A 20 24.498 19.439 8.419 1.00 0.00 C0 ATOM 313 C PHE A 20 23.631 20.518 7.793 1.00 0.00 C0 ATOM 314 O PHE A 20 22.458 20.656 8.133 1.00 0.00 O0 ATOM 315 CB PHE A 20 25.035 19.924 9.767 1.00 0.00 C0 ATOM 316 CG PHE A 20 24.523 19.029 10.871 1.00 0.00 C0 ATOM 317 CD1 PHE A 20 24.803 17.656 10.849 1.00 0.00 C0 ATOM 318 CD2 PHE A 20 23.766 19.572 11.916 1.00 0.00 C0 ATOM 319 CE1 PHE A 20 24.323 16.828 11.871 1.00 0.00 C0 ATOM 320 CE2 PHE A 20 23.288 18.743 12.938 1.00 0.00 C0 ATOM 321 CZ PHE A 20 23.565 17.370 12.915 1.00 0.00 C0 ATOM 0 H PHE A 20 26.511 19.467 7.831 1.00 0.00 H new ATOM 0 HA PHE A 20 23.887 18.549 8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 20 26.125 19.919 9.758 1.00 0.00 H new ATOM 0 HB3 PHE A 20 24.722 20.953 9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.389 17.237 10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 20 23.551 20.630 11.934 1.00 0.00 H new ATOM 0 HE1 PHE A 20 24.538 15.770 11.854 1.00 0.00 H new ATOM 0 HE2 PHE A 20 22.705 19.162 13.745 1.00 0.00 H new ATOM 0 HZ PHE A 20 23.194 16.730 13.702 1.00 0.00 H new ATOM 331 N MET A 21 24.207 21.279 6.875 1.00 0.00 N0 ATOM 332 CA MET A 21 23.458 22.339 6.208 1.00 0.00 C0 ATOM 333 C MET A 21 22.424 21.764 5.242 1.00 0.00 C0 ATOM 334 O MET A 21 21.218 21.997 5.385 1.00 0.00 O0 ATOM 335 CB MET A 21 24.424 23.239 5.439 1.00 0.00 C0 ATOM 336 CG MET A 21 25.220 24.099 6.423 1.00 0.00 C0 ATOM 337 SD MET A 21 24.123 25.313 7.196 1.00 0.00 S0 ATOM 338 CE MET A 21 24.087 24.571 8.846 1.00 0.00 C0 ATOM 0 H MET A 21 25.178 21.187 6.576 1.00 0.00 H new ATOM 0 HA MET A 21 22.932 22.915 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 21 25.103 22.632 4.839 1.00 0.00 H new ATOM 0 HB3 MET A 21 23.871 23.876 4.748 1.00 0.00 H new ATOM 0 HG2 MET A 21 25.676 23.468 7.186 1.00 0.00 H new ATOM 0 HG3 MET A 21 26.032 24.607 5.903 1.00 0.00 H new ATOM 0 HE1 MET A 21 23.131 24.788 9.322 1.00 0.00 H new ATOM 0 HE2 MET A 21 24.214 23.492 8.762 1.00 0.00 H new ATOM 0 HE3 MET A 21 24.895 24.986 9.449 1.00 0.00 H new ATOM 348 N ALA A 22 22.903 21.022 4.252 1.00 0.00 N0 ATOM 349 CA ALA A 22 22.014 20.428 3.260 1.00 0.00 C0 ATOM 350 C ALA A 22 21.109 19.376 3.899 1.00 0.00 C0 ATOM 351 O ALA A 22 19.927 19.278 3.561 1.00 0.00 O0 ATOM 352 CB ALA A 22 22.831 19.789 2.140 1.00 0.00 C0 ATOM 0 H ALA A 22 23.893 20.818 4.114 1.00 0.00 H new ATOM 0 HA ALA A 22 21.389 21.220 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.158 19.348 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.446 20.549 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.473 19.012 2.556 1.00 0.00 H new ATOM 358 N TRP A 23 21.675 18.584 4.806 1.00 0.00 N0 ATOM 359 CA TRP A 23 20.913 17.535 5.470 1.00 0.00 C0 ATOM 360 C TRP A 23 19.770 18.137 6.277 1.00 0.00 C0 ATOM 361 O TRP A 23 18.659 17.606 6.285 1.00 0.00 O0 ATOM 362 CB TRP A 23 21.828 16.729 6.390 1.00 0.00 C0 ATOM 363 CG TRP A 23 21.108 15.524 6.883 1.00 0.00 C0 ATOM 364 CD1 TRP A 23 21.111 14.315 6.279 1.00 0.00 C0 ATOM 365 CD2 TRP A 23 20.272 15.387 8.069 1.00 0.00 C0 ATOM 366 NE1 TRP A 23 20.330 13.444 7.020 1.00 0.00 N0 ATOM 367 CE2 TRP A 23 19.791 14.058 8.133 1.00 0.00 C0 ATOM 368 CE3 TRP A 23 19.886 16.279 9.089 1.00 0.00 C0 ATOM 369 CZ2 TRP A 23 18.960 13.627 9.169 1.00 0.00 C0 ATOM 370 CZ3 TRP A 23 19.048 15.849 10.133 1.00 0.00 C0 ATOM 371 CH2 TRP A 23 18.587 14.526 10.172 1.00 0.00 C0 ATOM 0 H TRP A 23 22.651 18.649 5.095 1.00 0.00 H new ATOM 0 HA TRP A 23 20.495 16.875 4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 23 22.729 16.432 5.853 1.00 0.00 H new ATOM 0 HB3 TRP A 23 22.147 17.344 7.232 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.636 14.069 5.368 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.172 12.467 6.773 1.00 0.00 H new ATOM 0 HE3 TRP A 23 20.236 17.300 9.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 18.608 12.606 9.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.758 16.542 10.909 1.00 0.00 H new ATOM 0 HH2 TRP A 23 17.944 14.201 10.977 1.00 0.00 H new ATOM 382 N THR A 24 20.047 19.251 6.951 1.00 0.00 N0 ATOM 383 CA THR A 24 19.028 19.923 7.745 1.00 0.00 C0 ATOM 384 C THR A 24 17.909 20.450 6.855 1.00 0.00 C0 ATOM 385 O THR A 24 16.729 20.344 7.196 1.00 0.00 O0 ATOM 386 CB THR A 24 19.649 21.077 8.532 1.00 0.00 C0 ATOM 387 OG1 THR A 24 20.462 20.554 9.573 1.00 0.00 O0 ATOM 388 CG2 THR A 24 18.546 21.952 9.128 1.00 0.00 C0 ATOM 0 H THR A 24 20.962 19.702 6.962 1.00 0.00 H new ATOM 0 HA THR A 24 18.607 19.198 8.442 1.00 0.00 H new ATOM 0 HB THR A 24 20.260 21.683 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.398 20.795 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 18.995 22.773 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.928 22.355 8.326 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.927 21.353 9.796 1.00 0.00 H new ATOM 396 N ILE A 25 18.286 21.020 5.715 1.00 0.00 N0 ATOM 397 CA ILE A 25 17.303 21.560 4.783 1.00 0.00 C0 ATOM 398 C ILE A 25 16.364 20.460 4.299 1.00 0.00 C0 ATOM 399 O ILE A 25 15.148 20.643 4.255 1.00 0.00 O0 ATOM 400 CB ILE A 25 18.014 22.189 3.586 1.00 0.00 C0 ATOM 401 CG1 ILE A 25 18.743 23.459 4.034 1.00 0.00 C0 ATOM 402 CG2 ILE A 25 16.985 22.547 2.508 1.00 0.00 C0 ATOM 403 CD1 ILE A 25 19.707 23.911 2.935 1.00 0.00 C0 ATOM 0 H ILE A 25 19.256 21.119 5.416 1.00 0.00 H new ATOM 0 HA ILE A 25 16.717 22.320 5.299 1.00 0.00 H new ATOM 0 HB ILE A 25 18.734 21.479 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.022 24.248 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 25 19.291 23.270 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.493 22.996 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 25 16.465 21.644 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.264 23.256 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.225 24.815 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.436 23.123 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.148 24.117 2.023 1.00 0.00 H new ATOM 415 N GLY A 26 16.938 19.315 3.940 1.00 0.00 N0 ATOM 416 CA GLY A 26 16.140 18.189 3.465 1.00 0.00 C0 ATOM 417 C GLY A 26 15.190 17.702 4.553 1.00 0.00 C0 ATOM 418 O GLY A 26 14.021 17.421 4.290 1.00 0.00 O0 ATOM 0 H GLY A 26 17.943 19.143 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.570 18.487 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.797 17.375 3.159 1.00 0.00 H new ATOM 422 N HIS A 27 15.699 17.605 5.780 1.00 0.00 N0 ATOM 423 CA HIS A 27 14.885 17.152 6.900 1.00 0.00 C0 ATOM 424 C HIS A 27 13.653 18.037 7.053 1.00 0.00 C0 ATOM 425 O HIS A 27 12.544 17.540 7.249 1.00 0.00 O0 ATOM 426 CB HIS A 27 15.708 17.188 8.189 1.00 0.00 C0 ATOM 427 CG HIS A 27 14.801 16.969 9.367 1.00 0.00 C0 ATOM 428 ND1 HIS A 27 14.433 17.788 10.405 1.00 0.00 N0 flip ATOM 429 CD2 HIS A 27 14.143 15.766 9.582 1.00 0.00 C0 flip ATOM 430 CE1 HIS A 27 13.562 17.109 11.252 1.00 0.00 C0 flip ATOM 431 NE2 HIS A 27 13.420 15.896 10.710 1.00 0.00 N0 flip ATOM 0 H HIS A 27 16.664 17.833 6.020 1.00 0.00 H new ATOM 0 HA HIS A 27 14.562 16.129 6.705 1.00 0.00 H new ATOM 0 HB2 HIS A 27 16.480 16.419 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 27 16.217 18.147 8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.201 14.886 8.958 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.100 17.482 12.154 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.835 15.159 11.103 1.00 0.00 H new ATOM 439 N LEU A 28 13.857 19.346 6.960 1.00 0.00 N0 ATOM 440 CA LEU A 28 12.753 20.287 7.084 1.00 0.00 C0 ATOM 441 C LEU A 28 11.860 20.234 5.854 1.00 0.00 C0 ATOM 442 O LEU A 28 12.342 20.258 4.725 1.00 0.00 O0 ATOM 443 CB LEU A 28 13.293 21.708 7.269 1.00 0.00 C0 ATOM 444 CG LEU A 28 13.350 22.051 8.759 1.00 0.00 C0 ATOM 445 CD1 LEU A 28 11.926 22.220 9.300 1.00 0.00 C0 ATOM 446 CD2 LEU A 28 14.059 20.921 9.517 1.00 0.00 C0 ATOM 0 H LEU A 28 14.768 19.776 6.801 1.00 0.00 H new ATOM 0 HA LEU A 28 12.162 20.009 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.287 21.789 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.654 22.420 6.747 1.00 0.00 H new ATOM 0 HG LEU A 28 13.901 22.981 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.967 22.464 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.425 23.025 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.372 21.291 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.100 21.165 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.509 19.990 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.072 20.804 9.132 1.00 0.00 H new ATOM 594 N GLU B 3 42.184 16.772 30.329 1.00 0.00 N0 ATOM 595 CA GLU B 3 41.052 16.542 29.450 1.00 0.00 C0 ATOM 596 C GLU B 3 40.929 15.057 29.110 1.00 0.00 C0 ATOM 597 O GLU B 3 41.901 14.306 29.208 1.00 0.00 O0 ATOM 598 CB GLU B 3 41.212 17.351 28.161 1.00 0.00 C0 ATOM 599 CG GLU B 3 42.426 16.840 27.383 1.00 0.00 C0 ATOM 600 CD GLU B 3 42.597 17.641 26.099 1.00 0.00 C0 ATOM 601 OE1 GLU B 3 41.776 18.509 25.851 1.00 0.00 O0 ATOM 602 OE2 GLU B 3 43.545 17.373 25.380 1.00 0.00 O1- ATOM 0 HA GLU B 3 40.147 16.862 29.967 1.00 0.00 H new ATOM 0 HB2 GLU B 3 40.313 17.264 27.551 1.00 0.00 H new ATOM 0 HB3 GLU B 3 41.336 18.408 28.396 1.00 0.00 H new ATOM 0 HG2 GLU B 3 43.323 16.925 27.996 1.00 0.00 H new ATOM 0 HG3 GLU B 3 42.299 15.783 27.148 1.00 0.00 H new ATOM 609 N PRO B 4 39.765 14.631 28.698 1.00 0.00 N0 ATOM 610 CA PRO B 4 39.514 13.209 28.321 1.00 0.00 C0 ATOM 611 C PRO B 4 40.494 12.713 27.259 1.00 0.00 C0 ATOM 612 O PRO B 4 40.960 11.576 27.313 1.00 0.00 O0 ATOM 613 CB PRO B 4 38.084 13.227 27.769 1.00 0.00 C0 ATOM 614 CG PRO B 4 37.446 14.438 28.363 1.00 0.00 C0 ATOM 615 CD PRO B 4 38.555 15.455 28.553 1.00 0.00 C0 ATOM 0 HA PRO B 4 39.644 12.534 29.167 1.00 0.00 H new ATOM 0 HB2 PRO B 4 38.084 13.277 26.680 1.00 0.00 H new ATOM 0 HB3 PRO B 4 37.544 12.322 28.047 1.00 0.00 H new ATOM 0 HG2 PRO B 4 36.668 14.829 27.707 1.00 0.00 H new ATOM 0 HG3 PRO B 4 36.970 14.200 29.314 1.00 0.00 H new ATOM 0 HD2 PRO B 4 38.630 16.129 27.700 1.00 0.00 H new ATOM 0 HD3 PRO B 4 38.384 16.073 29.434 1.00 0.00 H new ATOM 623 N PHE B 5 40.802 13.576 26.296 1.00 0.00 N0 ATOM 624 CA PHE B 5 41.727 13.216 25.226 1.00 0.00 C0 ATOM 625 C PHE B 5 42.141 14.454 24.438 1.00 0.00 C0 ATOM 626 O PHE B 5 43.277 14.915 24.540 1.00 0.00 O0 ATOM 627 CB PHE B 5 41.071 12.204 24.286 1.00 0.00 C0 ATOM 628 CG PHE B 5 41.702 10.848 24.486 1.00 0.00 C0 ATOM 629 CD1 PHE B 5 40.970 9.816 25.087 1.00 0.00 C0 ATOM 630 CD2 PHE B 5 43.020 10.622 24.070 1.00 0.00 C0 ATOM 631 CE1 PHE B 5 41.557 8.558 25.271 1.00 0.00 C0 ATOM 632 CE2 PHE B 5 43.605 9.363 24.254 1.00 0.00 C0 ATOM 633 CZ PHE B 5 42.873 8.330 24.854 1.00 0.00 C0 ATOM 0 H PHE B 5 40.428 14.523 26.234 1.00 0.00 H new ATOM 0 HA PHE B 5 42.616 12.771 25.673 1.00 0.00 H new ATOM 0 HB2 PHE B 5 40.000 12.151 24.482 1.00 0.00 H new ATOM 0 HB3 PHE B 5 41.190 12.523 23.251 1.00 0.00 H new ATOM 0 HD1 PHE B 5 39.954 9.990 25.408 1.00 0.00 H new ATOM 0 HD2 PHE B 5 43.585 11.418 23.608 1.00 0.00 H new ATOM 0 HE1 PHE B 5 40.993 7.763 25.735 1.00 0.00 H new ATOM 0 HE2 PHE B 5 44.621 9.188 23.933 1.00 0.00 H new ATOM 0 HZ PHE B 5 43.324 7.359 24.994 1.00 0.00 H new ATOM 643 N GLN B 6 41.208 14.990 23.658 1.00 0.00 N0 ATOM 644 CA GLN B 6 41.481 16.178 22.859 1.00 0.00 C0 ATOM 645 C GLN B 6 40.203 16.986 22.643 1.00 0.00 C0 ATOM 646 O GLN B 6 39.100 16.459 22.765 1.00 0.00 O0 ATOM 647 CB GLN B 6 42.070 15.775 21.504 1.00 0.00 C0 ATOM 648 CG GLN B 6 43.590 15.948 21.536 1.00 0.00 C0 ATOM 649 CD GLN B 6 44.215 15.296 20.308 1.00 0.00 C0 ATOM 650 OE1 GLN B 6 43.501 14.786 19.445 1.00 0.00 O0 ATOM 651 NE2 GLN B 6 45.513 15.279 20.179 1.00 0.00 N0 ATOM 0 H GLN B 6 40.261 14.623 23.563 1.00 0.00 H new ATOM 0 HA GLN B 6 42.200 16.796 23.397 1.00 0.00 H new ATOM 0 HB2 GLN B 6 41.816 14.739 21.279 1.00 0.00 H new ATOM 0 HB3 GLN B 6 41.640 16.388 20.712 1.00 0.00 H new ATOM 0 HG2 GLN B 6 43.843 17.008 21.564 1.00 0.00 H new ATOM 0 HG3 GLN B 6 43.996 15.499 22.443 1.00 0.00 H new ATOM 0 HE21 GLN B 6 46.102 15.702 20.896 1.00 0.00 H new ATOM 0 HE22 GLN B 6 45.939 14.842 19.361 1.00 0.00 H new ATOM 660 N ILE B 7 40.364 18.260 22.309 1.00 0.00 N0 ATOM 661 CA ILE B 7 39.218 19.128 22.069 1.00 0.00 C0 ATOM 662 C ILE B 7 38.353 18.570 20.946 1.00 0.00 C0 ATOM 663 O ILE B 7 37.134 18.720 20.952 1.00 0.00 O0 ATOM 664 CB ILE B 7 39.696 20.535 21.712 1.00 0.00 C0 ATOM 665 CG1 ILE B 7 40.342 21.184 22.940 1.00 0.00 C0 ATOM 666 CG2 ILE B 7 38.502 21.381 21.263 1.00 0.00 C0 ATOM 667 CD1 ILE B 7 41.100 22.445 22.514 1.00 0.00 C0 ATOM 0 H ILE B 7 41.271 18.713 22.199 1.00 0.00 H new ATOM 0 HA ILE B 7 38.619 19.174 22.978 1.00 0.00 H new ATOM 0 HB ILE B 7 40.426 20.474 20.905 1.00 0.00 H new ATOM 0 HG12 ILE B 7 39.578 21.437 23.675 1.00 0.00 H new ATOM 0 HG13 ILE B 7 41.024 20.482 23.419 1.00 0.00 H new ATOM 0 HG21 ILE B 7 38.842 22.385 21.008 1.00 0.00 H new ATOM 0 HG22 ILE B 7 38.039 20.922 20.389 1.00 0.00 H new ATOM 0 HG23 ILE B 7 37.773 21.439 22.071 1.00 0.00 H new ATOM 0 HD11 ILE B 7 41.559 22.906 23.388 1.00 0.00 H new ATOM 0 HD12 ILE B 7 41.875 22.178 21.795 1.00 0.00 H new ATOM 0 HD13 ILE B 7 40.406 23.149 22.055 1.00 0.00 H new ATOM 679 N LEU B 8 38.994 17.934 19.978 1.00 0.00 N0 ATOM 680 CA LEU B 8 38.276 17.359 18.846 1.00 0.00 C0 ATOM 681 C LEU B 8 37.336 16.259 19.319 1.00 0.00 C0 ATOM 682 O LEU B 8 36.114 16.414 19.272 1.00 0.00 O0 ATOM 683 CB LEU B 8 39.263 16.789 17.822 1.00 0.00 C0 ATOM 684 CG LEU B 8 39.590 17.857 16.777 1.00 0.00 C0 ATOM 685 CD1 LEU B 8 38.377 18.073 15.863 1.00 0.00 C0 ATOM 686 CD2 LEU B 8 39.943 19.175 17.484 1.00 0.00 C0 ATOM 0 H LEU B 8 40.005 17.802 19.951 1.00 0.00 H new ATOM 0 HA LEU B 8 37.691 18.149 18.374 1.00 0.00 H new ATOM 0 HB2 LEU B 8 40.175 16.464 18.323 1.00 0.00 H new ATOM 0 HB3 LEU B 8 38.835 15.911 17.338 1.00 0.00 H new ATOM 0 HG LEU B 8 40.439 17.528 16.177 1.00 0.00 H new ATOM 0 HD11 LEU B 8 38.613 18.834 15.119 1.00 0.00 H new ATOM 0 HD12 LEU B 8 38.130 17.138 15.360 1.00 0.00 H new ATOM 0 HD13 LEU B 8 37.525 18.400 16.460 1.00 0.00 H new ATOM 0 HD21 LEU B 8 40.176 19.936 16.739 1.00 0.00 H new ATOM 0 HD22 LEU B 8 39.096 19.503 18.086 1.00 0.00 H new ATOM 0 HD23 LEU B 8 40.808 19.022 18.129 1.00 0.00 H new ATOM 698 N SER B 9 37.912 15.149 19.773 1.00 0.00 N0 ATOM 699 CA SER B 9 37.117 14.022 20.253 1.00 0.00 C0 ATOM 700 C SER B 9 36.028 14.512 21.203 1.00 0.00 C0 ATOM 701 O SER B 9 34.935 13.946 21.254 1.00 0.00 O0 ATOM 702 CB SER B 9 38.017 13.027 20.983 1.00 0.00 C0 ATOM 703 OG SER B 9 38.585 13.661 22.123 1.00 0.00 O0 ATOM 0 H SER B 9 38.921 15.006 19.819 1.00 0.00 H new ATOM 0 HA SER B 9 36.651 13.533 19.397 1.00 0.00 H new ATOM 0 HB2 SER B 9 37.442 12.153 21.287 1.00 0.00 H new ATOM 0 HB3 SER B 9 38.805 12.674 20.317 1.00 0.00 H new ATOM 0 HG SER B 9 38.689 14.619 21.946 1.00 0.00 H new ATOM 709 N ILE B 10 36.327 15.578 21.941 1.00 0.00 N0 ATOM 710 CA ILE B 10 35.353 16.143 22.870 1.00 0.00 C0 ATOM 711 C ILE B 10 34.204 16.820 22.115 1.00 0.00 C0 ATOM 712 O ILE B 10 33.027 16.609 22.427 1.00 0.00 O0 ATOM 713 CB ILE B 10 36.039 17.158 23.782 1.00 0.00 C0 ATOM 714 CG1 ILE B 10 36.965 16.422 24.755 1.00 0.00 C0 ATOM 715 CG2 ILE B 10 34.987 17.936 24.570 1.00 0.00 C0 ATOM 716 CD1 ILE B 10 37.933 17.419 25.404 1.00 0.00 C0 ATOM 0 H ILE B 10 37.224 16.063 21.915 1.00 0.00 H new ATOM 0 HA ILE B 10 34.940 15.332 23.470 1.00 0.00 H new ATOM 0 HB ILE B 10 36.622 17.853 23.177 1.00 0.00 H new ATOM 0 HG12 ILE B 10 36.376 15.920 25.523 1.00 0.00 H new ATOM 0 HG13 ILE B 10 37.524 15.650 24.226 1.00 0.00 H new ATOM 0 HG21 ILE B 10 35.480 18.659 25.220 1.00 0.00 H new ATOM 0 HG22 ILE B 10 34.328 18.460 23.878 1.00 0.00 H new ATOM 0 HG23 ILE B 10 34.401 17.245 25.176 1.00 0.00 H new ATOM 0 HD11 ILE B 10 38.590 16.891 26.095 1.00 0.00 H new ATOM 0 HD12 ILE B 10 38.532 17.901 24.631 1.00 0.00 H new ATOM 0 HD13 ILE B 10 37.366 18.175 25.948 1.00 0.00 H new ATOM 728 N CYS B 11 34.553 17.630 21.121 1.00 0.00 N0 ATOM 729 CA CYS B 11 33.546 18.328 20.336 1.00 0.00 C0 ATOM 730 C CYS B 11 32.636 17.323 19.638 1.00 0.00 C0 ATOM 731 O CYS B 11 31.412 17.436 19.690 1.00 0.00 O0 ATOM 732 CB CYS B 11 34.225 19.214 19.291 1.00 0.00 C0 ATOM 733 SG CYS B 11 35.044 20.601 20.114 1.00 0.00 S0 ATOM 0 H CYS B 11 35.516 17.817 20.843 1.00 0.00 H new ATOM 0 HA CYS B 11 32.948 18.948 21.003 1.00 0.00 H new ATOM 0 HB2 CYS B 11 34.952 18.633 18.724 1.00 0.00 H new ATOM 0 HB3 CYS B 11 33.488 19.584 18.579 1.00 0.00 H new ATOM 0 HG CYS B 11 36.089 20.169 20.756 1.00 0.00 H new ATOM 739 N SER B 12 33.244 16.332 18.988 1.00 0.00 N0 ATOM 740 CA SER B 12 32.478 15.309 18.288 1.00 0.00 C0 ATOM 741 C SER B 12 31.650 14.496 19.276 1.00 0.00 C0 ATOM 742 O SER B 12 30.585 14.002 18.935 1.00 0.00 O0 ATOM 743 CB SER B 12 33.421 14.379 17.524 1.00 0.00 C0 ATOM 744 OG SER B 12 34.030 15.100 16.461 1.00 0.00 O0 ATOM 0 H SER B 12 34.256 16.218 18.933 1.00 0.00 H new ATOM 0 HA SER B 12 31.807 15.801 17.584 1.00 0.00 H new ATOM 0 HB2 SER B 12 34.184 13.984 18.195 1.00 0.00 H new ATOM 0 HB3 SER B 12 32.869 13.525 17.131 1.00 0.00 H new ATOM 0 HG SER B 12 34.637 14.508 15.970 1.00 0.00 H new ATOM 750 N PHE B 13 32.154 14.356 20.498 1.00 0.00 N0 ATOM 751 CA PHE B 13 31.447 13.597 21.523 1.00 0.00 C0 ATOM 752 C PHE B 13 30.084 14.226 21.815 1.00 0.00 C0 ATOM 753 O PHE B 13 29.051 13.543 21.808 1.00 0.00 O0 ATOM 754 CB PHE B 13 32.277 13.559 22.807 1.00 0.00 C0 ATOM 755 CG PHE B 13 31.529 12.792 23.869 1.00 0.00 C0 ATOM 756 CD1 PHE B 13 31.605 11.397 23.905 1.00 0.00 C0 ATOM 757 CD2 PHE B 13 30.760 13.478 24.816 1.00 0.00 C0 ATOM 758 CE1 PHE B 13 30.910 10.684 24.889 1.00 0.00 C0 ATOM 759 CE2 PHE B 13 30.065 12.765 25.801 1.00 0.00 C0 ATOM 760 CZ PHE B 13 30.140 11.368 25.836 1.00 0.00 C0 ATOM 0 H PHE B 13 33.043 14.755 20.801 1.00 0.00 H new ATOM 0 HA PHE B 13 31.295 12.582 21.156 1.00 0.00 H new ATOM 0 HB2 PHE B 13 33.241 13.088 22.615 1.00 0.00 H new ATOM 0 HB3 PHE B 13 32.480 14.573 23.151 1.00 0.00 H new ATOM 0 HD1 PHE B 13 32.200 10.869 23.174 1.00 0.00 H new ATOM 0 HD2 PHE B 13 30.703 14.556 24.787 1.00 0.00 H new ATOM 0 HE1 PHE B 13 30.968 9.606 24.917 1.00 0.00 H new ATOM 0 HE2 PHE B 13 29.472 13.293 26.533 1.00 0.00 H new ATOM 0 HZ PHE B 13 29.603 10.818 26.594 1.00 0.00 H new ATOM 770 N ILE B 14 30.085 15.540 22.050 1.00 0.00 N0 ATOM 771 CA ILE B 14 28.840 16.249 22.330 1.00 0.00 C0 ATOM 772 C ILE B 14 27.930 16.254 21.103 1.00 0.00 C0 ATOM 773 O ILE B 14 26.712 16.064 21.213 1.00 0.00 O0 ATOM 774 CB ILE B 14 29.143 17.685 22.761 1.00 0.00 C0 ATOM 775 CG1 ILE B 14 29.815 17.672 24.138 1.00 0.00 C0 ATOM 776 CG2 ILE B 14 27.839 18.482 22.839 1.00 0.00 C0 ATOM 777 CD1 ILE B 14 30.327 19.074 24.468 1.00 0.00 C0 ATOM 0 H ILE B 14 30.921 16.125 22.052 1.00 0.00 H new ATOM 0 HA ILE B 14 28.324 15.732 23.139 1.00 0.00 H new ATOM 0 HB ILE B 14 29.809 18.149 22.034 1.00 0.00 H new ATOM 0 HG12 ILE B 14 29.105 17.344 24.898 1.00 0.00 H new ATOM 0 HG13 ILE B 14 30.641 16.961 24.145 1.00 0.00 H new ATOM 0 HG21 ILE B 14 28.056 19.505 23.146 1.00 0.00 H new ATOM 0 HG22 ILE B 14 27.359 18.491 21.860 1.00 0.00 H new ATOM 0 HG23 ILE B 14 27.172 18.018 23.566 1.00 0.00 H new ATOM 0 HD11 ILE B 14 30.805 19.066 25.447 1.00 0.00 H new ATOM 0 HD12 ILE B 14 31.050 19.384 23.714 1.00 0.00 H new ATOM 0 HD13 ILE B 14 29.491 19.774 24.478 1.00 0.00 H new ATOM 789 N LEU B 15 28.530 16.474 19.938 1.00 0.00 N0 ATOM 790 CA LEU B 15 27.771 16.502 18.694 1.00 0.00 C0 ATOM 791 C LEU B 15 27.095 15.163 18.462 1.00 0.00 C0 ATOM 792 O LEU B 15 25.877 15.084 18.453 1.00 0.00 O0 ATOM 793 CB LEU B 15 28.695 16.828 17.519 1.00 0.00 C0 ATOM 794 CG LEU B 15 28.879 18.343 17.421 1.00 0.00 C0 ATOM 795 CD1 LEU B 15 30.114 18.651 16.574 1.00 0.00 C0 ATOM 796 CD2 LEU B 15 27.644 18.962 16.765 1.00 0.00 C0 ATOM 0 H LEU B 15 29.531 16.634 19.830 1.00 0.00 H new ATOM 0 HA LEU B 15 27.007 17.276 18.770 1.00 0.00 H new ATOM 0 HB2 LEU B 15 29.661 16.342 17.656 1.00 0.00 H new ATOM 0 HB3 LEU B 15 28.272 16.441 16.592 1.00 0.00 H new ATOM 0 HG LEU B 15 29.009 18.761 18.419 1.00 0.00 H new ATOM 0 HD11 LEU B 15 30.247 19.731 16.503 1.00 0.00 H new ATOM 0 HD12 LEU B 15 30.994 18.207 17.039 1.00 0.00 H new ATOM 0 HD13 LEU B 15 29.983 18.235 15.575 1.00 0.00 H new ATOM 0 HD21 LEU B 15 27.773 20.042 16.694 1.00 0.00 H new ATOM 0 HD22 LEU B 15 27.515 18.545 15.766 1.00 0.00 H new ATOM 0 HD23 LEU B 15 26.763 18.740 17.367 1.00 0.00 H new ATOM 808 N SER B 16 27.897 14.117 18.274 1.00 0.00 N0 ATOM 809 CA SER B 16 27.370 12.776 18.044 1.00 0.00 C0 ATOM 810 C SER B 16 26.229 12.493 19.014 1.00 0.00 C0 ATOM 811 O SER B 16 25.229 11.874 18.647 1.00 0.00 O0 ATOM 812 CB SER B 16 28.477 11.741 18.236 1.00 0.00 C0 ATOM 813 OG SER B 16 27.931 10.438 18.091 1.00 0.00 O0 ATOM 0 H SER B 16 28.915 14.174 18.277 1.00 0.00 H new ATOM 0 HA SER B 16 26.995 12.714 17.022 1.00 0.00 H new ATOM 0 HB2 SER B 16 29.270 11.899 17.505 1.00 0.00 H new ATOM 0 HB3 SER B 16 28.927 11.852 19.223 1.00 0.00 H new ATOM 0 HG SER B 16 28.639 9.771 18.212 1.00 0.00 H new ATOM 819 N ALA B 17 26.382 12.956 20.257 1.00 0.00 N0 ATOM 820 CA ALA B 17 25.343 12.748 21.263 1.00 0.00 C0 ATOM 821 C ALA B 17 24.015 13.348 20.796 1.00 0.00 C0 ATOM 822 O ALA B 17 23.007 12.644 20.657 1.00 0.00 O0 ATOM 823 CB ALA B 17 25.763 13.411 22.575 1.00 0.00 C0 ATOM 0 H ALA B 17 27.201 13.468 20.585 1.00 0.00 H new ATOM 0 HA ALA B 17 25.212 11.676 21.413 1.00 0.00 H new ATOM 0 HB1 ALA B 17 24.988 13.256 23.325 1.00 0.00 H new ATOM 0 HB2 ALA B 17 26.698 12.971 22.922 1.00 0.00 H new ATOM 0 HB3 ALA B 17 25.903 14.480 22.414 1.00 0.00 H new ATOM 829 N LEU B 18 24.027 14.647 20.512 1.00 0.00 N0 ATOM 830 CA LEU B 18 22.822 15.318 20.034 1.00 0.00 C0 ATOM 831 C LEU B 18 22.414 14.787 18.666 1.00 0.00 C0 ATOM 832 O LEU B 18 21.266 14.950 18.243 1.00 0.00 O0 ATOM 833 CB LEU B 18 23.065 16.827 19.948 1.00 0.00 C0 ATOM 834 CG LEU B 18 22.590 17.499 21.235 1.00 0.00 C0 ATOM 835 CD1 LEU B 18 21.057 17.497 21.280 1.00 0.00 C0 ATOM 836 CD2 LEU B 18 23.143 16.734 22.447 1.00 0.00 C0 ATOM 0 H LEU B 18 24.845 15.249 20.603 1.00 0.00 H new ATOM 0 HA LEU B 18 22.016 15.118 20.740 1.00 0.00 H new ATOM 0 HB2 LEU B 18 24.125 17.026 19.792 1.00 0.00 H new ATOM 0 HB3 LEU B 18 22.534 17.242 19.092 1.00 0.00 H new ATOM 0 HG LEU B 18 22.950 18.528 21.262 1.00 0.00 H new ATOM 0 HD11 LEU B 18 20.719 17.977 22.199 1.00 0.00 H new ATOM 0 HD12 LEU B 18 20.667 18.043 20.421 1.00 0.00 H new ATOM 0 HD13 LEU B 18 20.694 16.470 21.252 1.00 0.00 H new ATOM 0 HD21 LEU B 18 22.804 17.213 23.365 1.00 0.00 H new ATOM 0 HD22 LEU B 18 22.785 15.705 22.422 1.00 0.00 H new ATOM 0 HD23 LEU B 18 24.233 16.740 22.415 1.00 0.00 H new ATOM 848 N HIS B 19 23.355 14.153 17.978 1.00 0.00 N0 ATOM 849 CA HIS B 19 23.091 13.603 16.661 1.00 0.00 C0 ATOM 850 C HIS B 19 22.159 12.409 16.752 1.00 0.00 C0 ATOM 851 O HIS B 19 21.187 12.334 16.024 1.00 0.00 O0 ATOM 852 CB HIS B 19 24.400 13.175 15.997 1.00 0.00 C0 ATOM 853 CG HIS B 19 24.173 12.968 14.525 1.00 0.00 C0 ATOM 854 ND1 HIS B 19 23.029 12.930 13.770 1.00 0.00 N0 flip ATOM 855 CD2 HIS B 19 25.220 12.767 13.636 1.00 0.00 C0 flip ATOM 856 CE1 HIS B 19 23.357 12.710 12.432 1.00 0.00 C0 flip ATOM 857 NE2 HIS B 19 24.690 12.619 12.408 1.00 0.00 N0 flip ATOM 0 H HIS B 19 24.307 14.009 18.313 1.00 0.00 H new ATOM 0 HA HIS B 19 22.614 14.378 16.061 1.00 0.00 H new ATOM 0 HB2 HIS B 19 25.165 13.935 16.154 1.00 0.00 H new ATOM 0 HB3 HIS B 19 24.767 12.255 16.452 1.00 0.00 H new ATOM 0 HD1 HIS B 19 22.082 13.045 14.132 1.00 0.00 H new ATOM 0 HD2 HIS B 19 26.270 12.735 13.885 1.00 0.00 H new ATOM 0 HE1 HIS B 19 22.679 12.630 11.595 1.00 0.00 H new ATOM 865 N PHE B 20 22.456 11.493 17.660 1.00 0.00 N0 ATOM 866 CA PHE B 20 21.629 10.306 17.840 1.00 0.00 C0 ATOM 867 C PHE B 20 20.340 10.648 18.568 1.00 0.00 C0 ATOM 868 O PHE B 20 19.345 9.938 18.450 1.00 0.00 O0 ATOM 869 CB PHE B 20 22.403 9.249 18.631 1.00 0.00 C0 ATOM 870 CG PHE B 20 22.540 7.993 17.803 1.00 0.00 C0 ATOM 871 CD1 PHE B 20 23.171 8.040 16.554 1.00 0.00 C0 ATOM 872 CD2 PHE B 20 22.034 6.780 18.285 1.00 0.00 C0 ATOM 873 CE1 PHE B 20 23.297 6.875 15.788 1.00 0.00 C0 ATOM 874 CE2 PHE B 20 22.159 5.615 17.520 1.00 0.00 C0 ATOM 875 CZ PHE B 20 22.790 5.662 16.271 1.00 0.00 C0 ATOM 0 H PHE B 20 23.261 11.547 18.284 1.00 0.00 H new ATOM 0 HA PHE B 20 21.376 9.913 16.856 1.00 0.00 H new ATOM 0 HB2 PHE B 20 23.389 9.630 18.897 1.00 0.00 H new ATOM 0 HB3 PHE B 20 21.884 9.027 19.564 1.00 0.00 H new ATOM 0 HD1 PHE B 20 23.561 8.976 16.181 1.00 0.00 H new ATOM 0 HD2 PHE B 20 21.547 6.743 19.248 1.00 0.00 H new ATOM 0 HE1 PHE B 20 23.785 6.912 14.825 1.00 0.00 H new ATOM 0 HE2 PHE B 20 21.769 4.680 17.893 1.00 0.00 H new ATOM 0 HZ PHE B 20 22.886 4.763 15.680 1.00 0.00 H new ATOM 885 N MET B 21 20.355 11.743 19.312 1.00 0.00 N0 ATOM 886 CA MET B 21 19.168 12.164 20.046 1.00 0.00 C0 ATOM 887 C MET B 21 18.092 12.694 19.101 1.00 0.00 C0 ATOM 888 O MET B 21 16.980 12.160 19.039 1.00 0.00 O0 ATOM 889 CB MET B 21 19.548 13.259 21.043 1.00 0.00 C0 ATOM 890 CG MET B 21 20.332 12.644 22.207 1.00 0.00 C0 ATOM 891 SD MET B 21 19.233 11.598 23.197 1.00 0.00 S0 ATOM 892 CE MET B 21 19.933 10.004 22.708 1.00 0.00 C0 ATOM 0 H MET B 21 21.166 12.352 19.424 1.00 0.00 H new ATOM 0 HA MET B 21 18.767 11.298 20.572 1.00 0.00 H new ATOM 0 HB2 MET B 21 20.150 14.022 20.549 1.00 0.00 H new ATOM 0 HB3 MET B 21 18.651 13.753 21.416 1.00 0.00 H new ATOM 0 HG2 MET B 21 21.165 12.054 21.826 1.00 0.00 H new ATOM 0 HG3 MET B 21 20.757 13.432 22.828 1.00 0.00 H new ATOM 0 HE1 MET B 21 19.152 9.244 22.721 1.00 0.00 H new ATOM 0 HE2 MET B 21 20.348 10.082 21.703 1.00 0.00 H new ATOM 0 HE3 MET B 21 20.722 9.724 23.405 1.00 0.00 H new ATOM 902 N ALA B 22 18.426 13.753 18.374 1.00 0.00 N0 ATOM 903 CA ALA B 22 17.479 14.354 17.444 1.00 0.00 C0 ATOM 904 C ALA B 22 17.154 13.397 16.301 1.00 0.00 C0 ATOM 905 O ALA B 22 16.005 13.308 15.863 1.00 0.00 O0 ATOM 906 CB ALA B 22 18.051 15.651 16.879 1.00 0.00 C0 ATOM 0 H ALA B 22 19.337 14.210 18.410 1.00 0.00 H new ATOM 0 HA ALA B 22 16.560 14.569 17.989 1.00 0.00 H new ATOM 0 HB1 ALA B 22 17.336 16.092 16.185 1.00 0.00 H new ATOM 0 HB2 ALA B 22 18.244 16.349 17.694 1.00 0.00 H new ATOM 0 HB3 ALA B 22 18.983 15.440 16.354 1.00 0.00 H new ATOM 912 N TRP B 23 18.174 12.697 15.810 1.00 0.00 N0 ATOM 913 CA TRP B 23 17.987 11.763 14.708 1.00 0.00 C0 ATOM 914 C TRP B 23 17.032 10.645 15.111 1.00 0.00 C0 ATOM 915 O TRP B 23 16.174 10.239 14.327 1.00 0.00 O0 ATOM 916 CB TRP B 23 19.332 11.169 14.293 1.00 0.00 C0 ATOM 917 CG TRP B 23 19.173 10.403 13.028 1.00 0.00 C0 ATOM 918 CD1 TRP B 23 19.327 10.914 11.785 1.00 0.00 C0 ATOM 919 CD2 TRP B 23 18.825 8.997 12.853 1.00 0.00 C0 ATOM 920 NE1 TRP B 23 19.097 9.911 10.859 1.00 0.00 N0 ATOM 921 CE2 TRP B 23 18.785 8.712 11.468 1.00 0.00 C0 ATOM 922 CE3 TRP B 23 18.544 7.952 13.753 1.00 0.00 C0 ATOM 923 CZ2 TRP B 23 18.477 7.435 10.992 1.00 0.00 C0 ATOM 924 CZ3 TRP B 23 18.233 6.667 13.277 1.00 0.00 C0 ATOM 925 CH2 TRP B 23 18.199 6.410 11.900 1.00 0.00 C0 ATOM 0 H TRP B 23 19.131 12.759 16.156 1.00 0.00 H new ATOM 0 HA TRP B 23 17.557 12.304 13.865 1.00 0.00 H new ATOM 0 HB2 TRP B 23 20.065 11.964 14.158 1.00 0.00 H new ATOM 0 HB3 TRP B 23 19.710 10.516 15.080 1.00 0.00 H new ATOM 0 HD1 TRP B 23 19.587 11.936 11.553 1.00 0.00 H new ATOM 0 HE1 TRP B 23 19.151 10.042 9.849 1.00 0.00 H new ATOM 0 HE3 TRP B 23 18.568 8.139 14.816 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 18.454 7.242 9.930 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 18.019 5.873 13.977 1.00 0.00 H new ATOM 0 HH2 TRP B 23 17.958 5.420 11.541 1.00 0.00 H new ATOM 936 N THR B 24 17.183 10.158 16.341 1.00 0.00 N0 ATOM 937 CA THR B 24 16.318 9.096 16.840 1.00 0.00 C0 ATOM 938 C THR B 24 14.875 9.579 16.942 1.00 0.00 C0 ATOM 939 O THR B 24 13.942 8.854 16.587 1.00 0.00 O0 ATOM 940 CB THR B 24 16.803 8.623 18.210 1.00 0.00 C0 ATOM 941 OG1 THR B 24 18.015 7.899 18.056 1.00 0.00 O0 ATOM 942 CG2 THR B 24 15.744 7.730 18.854 1.00 0.00 C0 ATOM 0 H THR B 24 17.889 10.479 17.003 1.00 0.00 H new ATOM 0 HA THR B 24 16.358 8.264 16.137 1.00 0.00 H new ATOM 0 HB THR B 24 16.976 9.487 18.852 1.00 0.00 H new ATOM 0 HG1 THR B 24 18.768 8.458 18.339 1.00 0.00 H new ATOM 0 HG21 THR B 24 16.095 7.396 19.830 1.00 0.00 H new ATOM 0 HG22 THR B 24 14.818 8.292 18.974 1.00 0.00 H new ATOM 0 HG23 THR B 24 15.562 6.864 18.218 1.00 0.00 H new ATOM 950 N ILE B 25 14.699 10.804 17.425 1.00 0.00 N0 ATOM 951 CA ILE B 25 13.363 11.371 17.565 1.00 0.00 C0 ATOM 952 C ILE B 25 12.672 11.452 16.209 1.00 0.00 C0 ATOM 953 O ILE B 25 11.504 11.084 16.073 1.00 0.00 O0 ATOM 954 CB ILE B 25 13.455 12.768 18.177 1.00 0.00 C0 ATOM 955 CG1 ILE B 25 13.898 12.659 19.638 1.00 0.00 C0 ATOM 956 CG2 ILE B 25 12.084 13.448 18.110 1.00 0.00 C0 ATOM 957 CD1 ILE B 25 14.299 14.041 20.156 1.00 0.00 C0 ATOM 0 H ILE B 25 15.457 11.418 17.724 1.00 0.00 H new ATOM 0 HA ILE B 25 12.778 10.724 18.219 1.00 0.00 H new ATOM 0 HB ILE B 25 14.182 13.359 17.620 1.00 0.00 H new ATOM 0 HG12 ILE B 25 13.089 12.253 20.245 1.00 0.00 H new ATOM 0 HG13 ILE B 25 14.738 11.969 19.724 1.00 0.00 H new ATOM 0 HG21 ILE B 25 12.150 14.444 18.547 1.00 0.00 H new ATOM 0 HG22 ILE B 25 11.768 13.528 17.070 1.00 0.00 H new ATOM 0 HG23 ILE B 25 11.357 12.856 18.666 1.00 0.00 H new ATOM 0 HD11 ILE B 25 14.614 13.962 21.196 1.00 0.00 H new ATOM 0 HD12 ILE B 25 15.122 14.430 19.556 1.00 0.00 H new ATOM 0 HD13 ILE B 25 13.447 14.717 20.085 1.00 0.00 H new ATOM 969 N GLY B 26 13.402 11.930 15.206 1.00 0.00 N0 ATOM 970 CA GLY B 26 12.849 12.050 13.861 1.00 0.00 C0 ATOM 971 C GLY B 26 12.465 10.681 13.309 1.00 0.00 C0 ATOM 972 O GLY B 26 11.397 10.517 12.717 1.00 0.00 O0 ATOM 0 H GLY B 26 14.370 12.238 15.297 1.00 0.00 H new ATOM 0 HA2 GLY B 26 11.973 12.698 13.880 1.00 0.00 H new ATOM 0 HA3 GLY B 26 13.580 12.520 13.203 1.00 0.00 H new ATOM 976 N HIS B 27 13.339 9.698 13.510 1.00 0.00 N0 ATOM 977 CA HIS B 27 13.080 8.348 13.027 1.00 0.00 C0 ATOM 978 C HIS B 27 11.761 7.829 13.588 1.00 0.00 C0 ATOM 979 O HIS B 27 10.956 7.246 12.861 1.00 0.00 O0 ATOM 980 CB HIS B 27 14.220 7.418 13.447 1.00 0.00 C0 ATOM 981 CG HIS B 27 13.827 5.993 13.175 1.00 0.00 C0 ATOM 982 ND1 HIS B 27 13.588 4.933 14.014 1.00 0.00 N0 flip ATOM 983 CD2 HIS B 27 13.635 5.510 11.890 1.00 0.00 C0 flip ATOM 984 CE1 HIS B 27 13.253 3.808 13.263 1.00 0.00 C0 flip ATOM 985 NE2 HIS B 27 13.296 4.211 11.991 1.00 0.00 N0 flip ATOM 0 H HIS B 27 14.226 9.811 14.001 1.00 0.00 H new ATOM 0 HA HIS B 27 13.016 8.372 11.939 1.00 0.00 H new ATOM 0 HB2 HIS B 27 15.128 7.667 12.899 1.00 0.00 H new ATOM 0 HB3 HIS B 27 14.441 7.550 14.506 1.00 0.00 H new ATOM 0 HD2 HIS B 27 13.739 6.073 10.974 1.00 0.00 H new ATOM 0 HE1 HIS B 27 13.011 2.822 13.631 1.00 0.00 H new ATOM 0 HE2 HIS B 27 13.096 3.608 11.193 1.00 0.00 H new ATOM 993 N LEU B 28 11.546 8.047 14.880 1.00 0.00 N0 ATOM 994 CA LEU B 28 10.319 7.601 15.521 1.00 0.00 C0 ATOM 995 C LEU B 28 9.137 8.450 15.075 1.00 0.00 C0 ATOM 996 O LEU B 28 9.215 9.676 15.055 1.00 0.00 O0 ATOM 997 CB LEU B 28 10.465 7.680 17.045 1.00 0.00 C0 ATOM 998 CG LEU B 28 10.886 6.316 17.595 1.00 0.00 C0 ATOM 999 CD1 LEU B 28 9.716 5.332 17.482 1.00 0.00 C0 ATOM 1000 CD2 LEU B 28 12.084 5.788 16.793 1.00 0.00 C0 ATOM 0 H LEU B 28 12.201 8.526 15.499 1.00 0.00 H new ATOM 0 HA LEU B 28 10.136 6.567 15.227 1.00 0.00 H new ATOM 0 HB2 LEU B 28 11.206 8.434 17.310 1.00 0.00 H new ATOM 0 HB3 LEU B 28 9.521 7.989 17.495 1.00 0.00 H new ATOM 0 HG LEU B 28 11.169 6.419 18.643 1.00 0.00 H new ATOM 0 HD11 LEU B 28 10.018 4.361 17.874 1.00 0.00 H new ATOM 0 HD12 LEU B 28 8.868 5.707 18.055 1.00 0.00 H new ATOM 0 HD13 LEU B 28 9.429 5.227 16.436 1.00 0.00 H new ATOM 0 HD21 LEU B 28 12.384 4.816 17.185 1.00 0.00 H new ATOM 0 HD22 LEU B 28 11.803 5.686 15.745 1.00 0.00 H new ATOM 0 HD23 LEU B 28 12.916 6.487 16.879 1.00 0.00 H new ATOM 1148 N GLU C 3 45.801 -4.398 21.837 1.00 0.00 N0 ATOM 1149 CA GLU C 3 44.548 -3.945 21.261 1.00 0.00 C0 ATOM 1150 C GLU C 3 44.733 -3.576 19.789 1.00 0.00 C0 ATOM 1151 O GLU C 3 45.848 -3.293 19.346 1.00 0.00 O0 ATOM 1152 CB GLU C 3 44.022 -2.731 22.030 1.00 0.00 C0 ATOM 1153 CG GLU C 3 44.985 -1.556 21.851 1.00 0.00 C0 ATOM 1154 CD GLU C 3 44.472 -0.343 22.618 1.00 0.00 C0 ATOM 1155 OE1 GLU C 3 43.412 -0.446 23.212 1.00 0.00 O0 ATOM 1156 OE2 GLU C 3 45.147 0.673 22.598 1.00 0.00 O1- ATOM 0 HA GLU C 3 43.827 -4.759 21.333 1.00 0.00 H new ATOM 0 HB2 GLU C 3 43.030 -2.460 21.668 1.00 0.00 H new ATOM 0 HB3 GLU C 3 43.920 -2.974 23.088 1.00 0.00 H new ATOM 0 HG2 GLU C 3 45.977 -1.830 22.209 1.00 0.00 H new ATOM 0 HG3 GLU C 3 45.083 -1.313 20.793 1.00 0.00 H new ATOM 1163 N PRO C 4 43.666 -3.557 19.035 1.00 0.00 N0 ATOM 1164 CA PRO C 4 43.707 -3.202 17.588 1.00 0.00 C0 ATOM 1165 C PRO C 4 44.356 -1.840 17.348 1.00 0.00 C0 ATOM 1166 O PRO C 4 45.109 -1.660 16.391 1.00 0.00 O0 ATOM 1167 CB PRO C 4 42.230 -3.175 17.180 1.00 0.00 C0 ATOM 1168 CG PRO C 4 41.524 -4.021 18.185 1.00 0.00 C0 ATOM 1169 CD PRO C 4 42.302 -3.882 19.480 1.00 0.00 C0 ATOM 0 HA PRO C 4 44.304 -3.909 17.011 1.00 0.00 H new ATOM 0 HB2 PRO C 4 41.841 -2.157 17.181 1.00 0.00 H new ATOM 0 HB3 PRO C 4 42.094 -3.567 16.172 1.00 0.00 H new ATOM 0 HG2 PRO C 4 40.493 -3.693 18.314 1.00 0.00 H new ATOM 0 HG3 PRO C 4 41.489 -5.061 17.862 1.00 0.00 H new ATOM 0 HD2 PRO C 4 41.889 -3.096 20.112 1.00 0.00 H new ATOM 0 HD3 PRO C 4 42.280 -4.804 20.061 1.00 0.00 H new ATOM 1177 N PHE C 5 44.062 -0.886 18.226 1.00 0.00 N0 ATOM 1178 CA PHE C 5 44.624 0.455 18.102 1.00 0.00 C0 ATOM 1179 C PHE C 5 44.377 1.258 19.374 1.00 0.00 C0 ATOM 1180 O PHE C 5 45.302 1.520 20.142 1.00 0.00 O0 ATOM 1181 CB PHE C 5 43.994 1.177 16.909 1.00 0.00 C0 ATOM 1182 CG PHE C 5 45.007 1.289 15.796 1.00 0.00 C0 ATOM 1183 CD1 PHE C 5 44.846 0.538 14.625 1.00 0.00 C0 ATOM 1184 CD2 PHE C 5 46.107 2.143 15.935 1.00 0.00 C0 ATOM 1185 CE1 PHE C 5 45.785 0.642 13.592 1.00 0.00 C0 ATOM 1186 CE2 PHE C 5 47.047 2.247 14.902 1.00 0.00 C0 ATOM 1187 CZ PHE C 5 46.886 1.497 13.730 1.00 0.00 C0 ATOM 0 H PHE C 5 43.442 -1.015 19.026 1.00 0.00 H new ATOM 0 HA PHE C 5 45.699 0.366 17.945 1.00 0.00 H new ATOM 0 HB2 PHE C 5 43.116 0.632 16.563 1.00 0.00 H new ATOM 0 HB3 PHE C 5 43.655 2.169 17.208 1.00 0.00 H new ATOM 0 HD1 PHE C 5 43.997 -0.121 14.519 1.00 0.00 H new ATOM 0 HD2 PHE C 5 46.231 2.722 16.838 1.00 0.00 H new ATOM 0 HE1 PHE C 5 45.661 0.063 12.689 1.00 0.00 H new ATOM 0 HE2 PHE C 5 47.896 2.906 15.009 1.00 0.00 H new ATOM 0 HZ PHE C 5 47.610 1.578 12.933 1.00 0.00 H new ATOM 1197 N GLN C 6 43.124 1.642 19.592 1.00 0.00 N0 ATOM 1198 CA GLN C 6 42.763 2.412 20.776 1.00 0.00 C0 ATOM 1199 C GLN C 6 41.318 2.128 21.181 1.00 0.00 C0 ATOM 1200 O GLN C 6 40.517 1.667 20.371 1.00 0.00 O0 ATOM 1201 CB GLN C 6 42.936 3.907 20.501 1.00 0.00 C0 ATOM 1202 CG GLN C 6 44.263 4.386 21.094 1.00 0.00 C0 ATOM 1203 CD GLN C 6 44.580 5.792 20.597 1.00 0.00 C0 ATOM 1204 OE1 GLN C 6 43.788 6.385 19.866 1.00 0.00 O0 ATOM 1205 NE2 GLN C 6 45.700 6.361 20.949 1.00 0.00 N0 ATOM 0 H GLN C 6 42.345 1.434 18.968 1.00 0.00 H new ATOM 0 HA GLN C 6 43.421 2.116 21.593 1.00 0.00 H new ATOM 0 HB2 GLN C 6 42.917 4.095 19.427 1.00 0.00 H new ATOM 0 HB3 GLN C 6 42.108 4.466 20.937 1.00 0.00 H new ATOM 0 HG2 GLN C 6 44.207 4.380 22.183 1.00 0.00 H new ATOM 0 HG3 GLN C 6 45.064 3.703 20.812 1.00 0.00 H new ATOM 0 HE21 GLN C 6 46.355 5.867 21.555 1.00 0.00 H new ATOM 0 HE22 GLN C 6 45.921 7.300 20.618 1.00 0.00 H new ATOM 1214 N ILE C 7 40.992 2.421 22.433 1.00 0.00 N0 ATOM 1215 CA ILE C 7 39.640 2.201 22.931 1.00 0.00 C0 ATOM 1216 C ILE C 7 38.630 2.992 22.110 1.00 0.00 C0 ATOM 1217 O ILE C 7 37.497 2.563 21.916 1.00 0.00 O0 ATOM 1218 CB ILE C 7 39.555 2.611 24.403 1.00 0.00 C0 ATOM 1219 CG1 ILE C 7 40.378 1.639 25.254 1.00 0.00 C0 ATOM 1220 CG2 ILE C 7 38.095 2.570 24.859 1.00 0.00 C0 ATOM 1221 CD1 ILE C 7 40.556 2.216 26.661 1.00 0.00 C0 ATOM 0 H ILE C 7 41.640 2.809 23.119 1.00 0.00 H new ATOM 0 HA ILE C 7 39.404 1.141 22.839 1.00 0.00 H new ATOM 0 HB ILE C 7 39.948 3.621 24.521 1.00 0.00 H new ATOM 0 HG12 ILE C 7 39.878 0.672 25.307 1.00 0.00 H new ATOM 0 HG13 ILE C 7 41.351 1.470 24.793 1.00 0.00 H new ATOM 0 HG21 ILE C 7 38.033 2.862 25.907 1.00 0.00 H new ATOM 0 HG22 ILE C 7 37.506 3.260 24.255 1.00 0.00 H new ATOM 0 HG23 ILE C 7 37.705 1.559 24.740 1.00 0.00 H new ATOM 0 HD11 ILE C 7 41.142 1.524 27.267 1.00 0.00 H new ATOM 0 HD12 ILE C 7 41.075 3.173 26.599 1.00 0.00 H new ATOM 0 HD13 ILE C 7 39.579 2.362 27.121 1.00 0.00 H new ATOM 1233 N LEU C 8 39.050 4.157 21.638 1.00 0.00 N0 ATOM 1234 CA LEU C 8 38.174 5.007 20.839 1.00 0.00 C0 ATOM 1235 C LEU C 8 37.802 4.312 19.538 1.00 0.00 C0 ATOM 1236 O LEU C 8 36.647 3.933 19.337 1.00 0.00 O0 ATOM 1237 CB LEU C 8 38.862 6.342 20.535 1.00 0.00 C0 ATOM 1238 CG LEU C 8 38.494 7.365 21.613 1.00 0.00 C0 ATOM 1239 CD1 LEU C 8 37.030 7.791 21.440 1.00 0.00 C0 ATOM 1240 CD2 LEU C 8 38.686 6.739 23.003 1.00 0.00 C0 ATOM 0 H LEU C 8 39.985 4.535 21.792 1.00 0.00 H new ATOM 0 HA LEU C 8 37.265 5.197 21.410 1.00 0.00 H new ATOM 0 HB2 LEU C 8 39.943 6.206 20.502 1.00 0.00 H new ATOM 0 HB3 LEU C 8 38.556 6.706 19.554 1.00 0.00 H new ATOM 0 HG LEU C 8 39.139 8.239 21.517 1.00 0.00 H new ATOM 0 HD11 LEU C 8 36.770 8.519 22.208 1.00 0.00 H new ATOM 0 HD12 LEU C 8 36.895 8.238 20.455 1.00 0.00 H new ATOM 0 HD13 LEU C 8 36.384 6.918 21.533 1.00 0.00 H new ATOM 0 HD21 LEU C 8 38.424 7.468 23.770 1.00 0.00 H new ATOM 0 HD22 LEU C 8 38.044 5.864 23.100 1.00 0.00 H new ATOM 0 HD23 LEU C 8 39.727 6.441 23.127 1.00 0.00 H new ATOM 1252 N SER C 9 38.786 4.148 18.660 1.00 0.00 N0 ATOM 1253 CA SER C 9 38.554 3.496 17.373 1.00 0.00 C0 ATOM 1254 C SER C 9 37.769 2.203 17.573 1.00 0.00 C0 ATOM 1255 O SER C 9 36.965 1.817 16.725 1.00 0.00 O0 ATOM 1256 CB SER C 9 39.892 3.179 16.706 1.00 0.00 C0 ATOM 1257 OG SER C 9 40.619 2.269 17.522 1.00 0.00 O0 ATOM 0 H SER C 9 39.747 4.455 18.813 1.00 0.00 H new ATOM 0 HA SER C 9 37.979 4.169 16.737 1.00 0.00 H new ATOM 0 HB2 SER C 9 39.726 2.748 15.719 1.00 0.00 H new ATOM 0 HB3 SER C 9 40.466 4.095 16.562 1.00 0.00 H new ATOM 0 HG SER C 9 40.368 2.399 18.460 1.00 0.00 H new ATOM 1263 N ILE C 10 37.994 1.547 18.710 1.00 0.00 N0 ATOM 1264 CA ILE C 10 37.283 0.310 19.013 1.00 0.00 C0 ATOM 1265 C ILE C 10 35.805 0.584 19.308 1.00 0.00 C0 ATOM 1266 O ILE C 10 34.915 -0.101 18.791 1.00 0.00 O0 ATOM 1267 CB ILE C 10 37.931 -0.374 20.217 1.00 0.00 C0 ATOM 1268 CG1 ILE C 10 39.300 -0.926 19.810 1.00 0.00 C0 ATOM 1269 CG2 ILE C 10 37.041 -1.519 20.697 1.00 0.00 C0 ATOM 1270 CD1 ILE C 10 40.115 -1.264 21.065 1.00 0.00 C0 ATOM 0 H ILE C 10 38.654 1.847 19.427 1.00 0.00 H new ATOM 0 HA ILE C 10 37.343 -0.343 18.142 1.00 0.00 H new ATOM 0 HB ILE C 10 38.054 0.349 21.023 1.00 0.00 H new ATOM 0 HG12 ILE C 10 39.175 -1.817 19.195 1.00 0.00 H new ATOM 0 HG13 ILE C 10 39.833 -0.193 19.205 1.00 0.00 H new ATOM 0 HG21 ILE C 10 37.505 -2.005 21.555 1.00 0.00 H new ATOM 0 HG22 ILE C 10 36.066 -1.126 20.986 1.00 0.00 H new ATOM 0 HG23 ILE C 10 36.916 -2.244 19.893 1.00 0.00 H new ATOM 0 HD11 ILE C 10 41.089 -1.657 20.772 1.00 0.00 H new ATOM 0 HD12 ILE C 10 40.252 -0.363 21.663 1.00 0.00 H new ATOM 0 HD13 ILE C 10 39.584 -2.013 21.653 1.00 0.00 H new ATOM 1282 N CYS C 11 35.551 1.586 20.143 1.00 0.00 N0 ATOM 1283 CA CYS C 11 34.183 1.936 20.498 1.00 0.00 C0 ATOM 1284 C CYS C 11 33.405 2.344 19.251 1.00 0.00 C0 ATOM 1285 O CYS C 11 32.293 1.870 19.018 1.00 0.00 O0 ATOM 1286 CB CYS C 11 34.185 3.092 21.500 1.00 0.00 C0 ATOM 1287 SG CYS C 11 34.804 2.505 23.096 1.00 0.00 S0 ATOM 0 H CYS C 11 36.267 2.164 20.582 1.00 0.00 H new ATOM 0 HA CYS C 11 33.705 1.067 20.949 1.00 0.00 H new ATOM 0 HB2 CYS C 11 34.810 3.905 21.132 1.00 0.00 H new ATOM 0 HB3 CYS C 11 33.177 3.491 21.613 1.00 0.00 H new ATOM 0 HG CYS C 11 36.083 2.287 23.012 1.00 0.00 H new ATOM 1293 N SER C 12 34.000 3.222 18.448 1.00 0.00 N0 ATOM 1294 CA SER C 12 33.355 3.680 17.224 1.00 0.00 C0 ATOM 1295 C SER C 12 33.178 2.521 16.251 1.00 0.00 C0 ATOM 1296 O SER C 12 32.243 2.510 15.463 1.00 0.00 O0 ATOM 1297 CB SER C 12 34.196 4.776 16.568 1.00 0.00 C0 ATOM 1298 OG SER C 12 34.180 5.936 17.389 1.00 0.00 O0 ATOM 0 H SER C 12 34.920 3.627 18.622 1.00 0.00 H new ATOM 0 HA SER C 12 32.374 4.081 17.479 1.00 0.00 H new ATOM 0 HB2 SER C 12 35.220 4.430 16.428 1.00 0.00 H new ATOM 0 HB3 SER C 12 33.801 5.011 15.580 1.00 0.00 H new ATOM 0 HG SER C 12 34.720 6.640 16.972 1.00 0.00 H new ATOM 1304 N PHE C 13 34.091 1.557 16.306 1.00 0.00 N0 ATOM 1305 CA PHE C 13 34.021 0.401 15.418 1.00 0.00 C0 ATOM 1306 C PHE C 13 32.725 -0.376 15.648 1.00 0.00 C0 ATOM 1307 O PHE C 13 31.986 -0.681 14.700 1.00 0.00 O0 ATOM 1308 CB PHE C 13 35.218 -0.518 15.665 1.00 0.00 C0 ATOM 1309 CG PHE C 13 35.125 -1.721 14.762 1.00 0.00 C0 ATOM 1310 CD1 PHE C 13 35.591 -1.645 13.446 1.00 0.00 C0 ATOM 1311 CD2 PHE C 13 34.571 -2.915 15.243 1.00 0.00 C0 ATOM 1312 CE1 PHE C 13 35.503 -2.762 12.607 1.00 0.00 C0 ATOM 1313 CE2 PHE C 13 34.484 -4.032 14.404 1.00 0.00 C0 ATOM 1314 CZ PHE C 13 34.950 -3.955 13.085 1.00 0.00 C0 ATOM 0 H PHE C 13 34.882 1.552 16.950 1.00 0.00 H new ATOM 0 HA PHE C 13 34.040 0.756 14.388 1.00 0.00 H new ATOM 0 HB2 PHE C 13 36.147 0.020 15.477 1.00 0.00 H new ATOM 0 HB3 PHE C 13 35.238 -0.834 16.708 1.00 0.00 H new ATOM 0 HD1 PHE C 13 36.019 -0.725 13.077 1.00 0.00 H new ATOM 0 HD2 PHE C 13 34.212 -2.973 16.260 1.00 0.00 H new ATOM 0 HE1 PHE C 13 35.862 -2.703 11.590 1.00 0.00 H new ATOM 0 HE2 PHE C 13 34.058 -4.953 14.773 1.00 0.00 H new ATOM 0 HZ PHE C 13 34.882 -4.817 12.437 1.00 0.00 H new ATOM 1324 N ILE C 14 32.442 -0.678 16.915 1.00 0.00 N0 ATOM 1325 CA ILE C 14 31.224 -1.410 17.255 1.00 0.00 C0 ATOM 1326 C ILE C 14 29.984 -0.570 16.955 1.00 0.00 C0 ATOM 1327 O ILE C 14 28.983 -1.077 16.432 1.00 0.00 O0 ATOM 1328 CB ILE C 14 31.243 -1.801 18.734 1.00 0.00 C0 ATOM 1329 CG1 ILE C 14 32.325 -2.862 18.964 1.00 0.00 C0 ATOM 1330 CG2 ILE C 14 29.880 -2.368 19.133 1.00 0.00 C0 ATOM 1331 CD1 ILE C 14 32.511 -3.080 20.467 1.00 0.00 C0 ATOM 0 H ILE C 14 33.030 -0.431 17.711 1.00 0.00 H new ATOM 0 HA ILE C 14 31.185 -2.312 16.645 1.00 0.00 H new ATOM 0 HB ILE C 14 31.459 -0.921 19.340 1.00 0.00 H new ATOM 0 HG12 ILE C 14 32.041 -3.797 18.482 1.00 0.00 H new ATOM 0 HG13 ILE C 14 33.264 -2.543 18.512 1.00 0.00 H new ATOM 0 HG21 ILE C 14 29.896 -2.646 20.187 1.00 0.00 H new ATOM 0 HG22 ILE C 14 29.110 -1.614 18.968 1.00 0.00 H new ATOM 0 HG23 ILE C 14 29.661 -3.249 18.529 1.00 0.00 H new ATOM 0 HD11 ILE C 14 33.280 -3.834 20.633 1.00 0.00 H new ATOM 0 HD12 ILE C 14 32.814 -2.144 20.936 1.00 0.00 H new ATOM 0 HD13 ILE C 14 31.572 -3.417 20.905 1.00 0.00 H new ATOM 1343 N LEU C 15 30.058 0.715 17.291 1.00 0.00 N0 ATOM 1344 CA LEU C 15 28.940 1.620 17.055 1.00 0.00 C0 ATOM 1345 C LEU C 15 28.627 1.690 15.572 1.00 0.00 C0 ATOM 1346 O LEU C 15 27.553 1.290 15.152 1.00 0.00 O0 ATOM 1347 CB LEU C 15 29.272 3.016 17.585 1.00 0.00 C0 ATOM 1348 CG LEU C 15 28.985 3.074 19.086 1.00 0.00 C0 ATOM 1349 CD1 LEU C 15 29.720 4.267 19.699 1.00 0.00 C0 ATOM 1350 CD2 LEU C 15 27.480 3.235 19.307 1.00 0.00 C0 ATOM 0 H LEU C 15 30.873 1.149 17.724 1.00 0.00 H new ATOM 0 HA LEU C 15 28.065 1.240 17.583 1.00 0.00 H new ATOM 0 HB2 LEU C 15 30.320 3.249 17.395 1.00 0.00 H new ATOM 0 HB3 LEU C 15 28.679 3.766 17.061 1.00 0.00 H new ATOM 0 HG LEU C 15 29.328 2.154 19.560 1.00 0.00 H new ATOM 0 HD11 LEU C 15 29.516 4.309 20.769 1.00 0.00 H new ATOM 0 HD12 LEU C 15 30.792 4.156 19.538 1.00 0.00 H new ATOM 0 HD13 LEU C 15 29.376 5.188 19.227 1.00 0.00 H new ATOM 0 HD21 LEU C 15 27.272 3.277 20.376 1.00 0.00 H new ATOM 0 HD22 LEU C 15 27.139 4.156 18.835 1.00 0.00 H new ATOM 0 HD23 LEU C 15 26.955 2.387 18.868 1.00 0.00 H new ATOM 1362 N SER C 16 29.573 2.202 14.788 1.00 0.00 N0 ATOM 1363 CA SER C 16 29.394 2.322 13.345 1.00 0.00 C0 ATOM 1364 C SER C 16 28.784 1.039 12.793 1.00 0.00 C0 ATOM 1365 O SER C 16 27.931 1.080 11.904 1.00 0.00 O0 ATOM 1366 CB SER C 16 30.741 2.582 12.674 1.00 0.00 C0 ATOM 1367 OG SER C 16 30.565 2.614 11.264 1.00 0.00 O0 ATOM 0 H SER C 16 30.472 2.541 15.130 1.00 0.00 H new ATOM 0 HA SER C 16 28.725 3.157 13.137 1.00 0.00 H new ATOM 0 HB2 SER C 16 31.157 3.528 13.022 1.00 0.00 H new ATOM 0 HB3 SER C 16 31.452 1.802 12.946 1.00 0.00 H new ATOM 0 HG SER C 16 31.428 2.782 10.830 1.00 0.00 H new ATOM 1373 N ALA C 17 29.222 -0.102 13.329 1.00 0.00 N0 ATOM 1374 CA ALA C 17 28.694 -1.388 12.877 1.00 0.00 C0 ATOM 1375 C ALA C 17 27.175 -1.440 13.058 1.00 0.00 C0 ATOM 1376 O ALA C 17 26.420 -1.611 12.094 1.00 0.00 O0 ATOM 1377 CB ALA C 17 29.338 -2.517 13.686 1.00 0.00 C0 ATOM 0 H ALA C 17 29.928 -0.162 14.063 1.00 0.00 H new ATOM 0 HA ALA C 17 28.927 -1.508 11.819 1.00 0.00 H new ATOM 0 HB1 ALA C 17 28.945 -3.476 13.349 1.00 0.00 H new ATOM 0 HB2 ALA C 17 30.418 -2.497 13.542 1.00 0.00 H new ATOM 0 HB3 ALA C 17 29.110 -2.383 14.743 1.00 0.00 H new ATOM 1383 N LEU C 18 26.727 -1.247 14.294 1.00 0.00 N0 ATOM 1384 CA LEU C 18 25.295 -1.250 14.579 1.00 0.00 C0 ATOM 1385 C LEU C 18 24.605 -0.073 13.901 1.00 0.00 C0 ATOM 1386 O LEU C 18 23.385 -0.079 13.716 1.00 0.00 O0 ATOM 1387 CB LEU C 18 25.063 -1.179 16.090 1.00 0.00 C0 ATOM 1388 CG LEU C 18 24.897 -2.591 16.650 1.00 0.00 C0 ATOM 1389 CD1 LEU C 18 23.538 -3.158 16.222 1.00 0.00 C0 ATOM 1390 CD2 LEU C 18 26.022 -3.490 16.120 1.00 0.00 C0 ATOM 0 H LEU C 18 27.325 -1.088 15.105 1.00 0.00 H new ATOM 0 HA LEU C 18 24.871 -2.175 14.188 1.00 0.00 H new ATOM 0 HB2 LEU C 18 25.903 -0.681 16.574 1.00 0.00 H new ATOM 0 HB3 LEU C 18 24.174 -0.585 16.304 1.00 0.00 H new ATOM 0 HG LEU C 18 24.946 -2.556 17.738 1.00 0.00 H new ATOM 0 HD11 LEU C 18 23.422 -4.165 16.622 1.00 0.00 H new ATOM 0 HD12 LEU C 18 22.741 -2.521 16.605 1.00 0.00 H new ATOM 0 HD13 LEU C 18 23.484 -3.192 15.134 1.00 0.00 H new ATOM 0 HD21 LEU C 18 25.902 -4.497 16.520 1.00 0.00 H new ATOM 0 HD22 LEU C 18 25.978 -3.525 15.031 1.00 0.00 H new ATOM 0 HD23 LEU C 18 26.986 -3.088 16.431 1.00 0.00 H new ATOM 1402 N HIS C 19 25.389 0.932 13.532 1.00 0.00 N0 ATOM 1403 CA HIS C 19 24.852 2.112 12.878 1.00 0.00 C0 ATOM 1404 C HIS C 19 24.378 1.782 11.474 1.00 0.00 C0 ATOM 1405 O HIS C 19 23.277 2.139 11.098 1.00 0.00 O0 ATOM 1406 CB HIS C 19 25.915 3.208 12.812 1.00 0.00 C0 ATOM 1407 CG HIS C 19 25.262 4.523 12.491 1.00 0.00 C0 ATOM 1408 ND1 HIS C 19 23.987 4.844 12.099 1.00 0.00 N0 flip ATOM 1409 CD2 HIS C 19 25.950 5.728 12.561 1.00 0.00 C0 flip ATOM 1410 CE1 HIS C 19 23.881 6.224 11.930 1.00 0.00 C0 flip ATOM 1411 NE2 HIS C 19 25.092 6.707 12.222 1.00 0.00 N0 flip ATOM 0 H HIS C 19 26.399 0.951 13.676 1.00 0.00 H new ATOM 0 HA HIS C 19 24.002 2.465 13.462 1.00 0.00 H new ATOM 0 HB2 HIS C 19 26.443 3.275 13.763 1.00 0.00 H new ATOM 0 HB3 HIS C 19 26.657 2.964 12.052 1.00 0.00 H new ATOM 0 HD1 HIS C 19 23.231 4.175 11.953 1.00 0.00 H new ATOM 0 HD2 HIS C 19 26.986 5.856 12.838 1.00 0.00 H new ATOM 0 HE1 HIS C 19 23.007 6.783 11.628 1.00 0.00 H new ATOM 1419 N PHE C 20 25.212 1.087 10.716 1.00 0.00 N0 ATOM 1420 CA PHE C 20 24.862 0.710 9.353 1.00 0.00 C0 ATOM 1421 C PHE C 20 23.862 -0.433 9.347 1.00 0.00 C0 ATOM 1422 O PHE C 20 23.126 -0.621 8.381 1.00 0.00 O0 ATOM 1423 CB PHE C 20 26.122 0.292 8.589 1.00 0.00 C0 ATOM 1424 CG PHE C 20 26.311 1.190 7.389 1.00 0.00 C0 ATOM 1425 CD1 PHE C 20 26.436 2.574 7.560 1.00 0.00 C0 ATOM 1426 CD2 PHE C 20 26.358 0.637 6.103 1.00 0.00 C0 ATOM 1427 CE1 PHE C 20 26.610 3.405 6.447 1.00 0.00 C0 ATOM 1428 CE2 PHE C 20 26.531 1.467 4.991 1.00 0.00 C0 ATOM 1429 CZ PHE C 20 26.657 2.851 5.162 1.00 0.00 C0 ATOM 0 H PHE C 20 26.134 0.773 11.019 1.00 0.00 H new ATOM 0 HA PHE C 20 24.407 1.573 8.866 1.00 0.00 H new ATOM 0 HB2 PHE C 20 26.992 0.354 9.242 1.00 0.00 H new ATOM 0 HB3 PHE C 20 26.037 -0.746 8.269 1.00 0.00 H new ATOM 0 HD1 PHE C 20 26.398 3.001 8.551 1.00 0.00 H new ATOM 0 HD2 PHE C 20 26.261 -0.430 5.970 1.00 0.00 H new ATOM 0 HE1 PHE C 20 26.708 4.472 6.579 1.00 0.00 H new ATOM 0 HE2 PHE C 20 26.567 1.040 4.000 1.00 0.00 H new ATOM 0 HZ PHE C 20 26.790 3.491 4.303 1.00 0.00 H new ATOM 1439 N MET C 21 23.830 -1.194 10.430 1.00 0.00 N0 ATOM 1440 CA MET C 21 22.901 -2.314 10.530 1.00 0.00 C0 ATOM 1441 C MET C 21 21.461 -1.832 10.694 1.00 0.00 C0 ATOM 1442 O MET C 21 20.591 -2.130 9.868 1.00 0.00 O0 ATOM 1443 CB MET C 21 23.282 -3.187 11.727 1.00 0.00 C0 ATOM 1444 CG MET C 21 24.556 -3.972 11.405 1.00 0.00 C0 ATOM 1445 SD MET C 21 24.200 -5.218 10.139 1.00 0.00 S0 ATOM 1446 CE MET C 21 25.098 -4.429 8.781 1.00 0.00 C0 ATOM 0 H MET C 21 24.429 -1.061 11.245 1.00 0.00 H new ATOM 0 HA MET C 21 22.965 -2.890 9.607 1.00 0.00 H new ATOM 0 HB2 MET C 21 23.439 -2.565 12.608 1.00 0.00 H new ATOM 0 HB3 MET C 21 22.469 -3.874 11.962 1.00 0.00 H new ATOM 0 HG2 MET C 21 25.334 -3.294 11.053 1.00 0.00 H new ATOM 0 HG3 MET C 21 24.936 -4.453 12.306 1.00 0.00 H new ATOM 0 HE1 MET C 21 24.610 -4.666 7.836 1.00 0.00 H new ATOM 0 HE2 MET C 21 25.102 -3.349 8.926 1.00 0.00 H new ATOM 0 HE3 MET C 21 26.124 -4.796 8.762 1.00 0.00 H new ATOM 1456 N ALA C 22 21.215 -1.099 11.769 1.00 0.00 N0 ATOM 1457 CA ALA C 22 19.875 -0.590 12.040 1.00 0.00 C0 ATOM 1458 C ALA C 22 19.456 0.432 10.986 1.00 0.00 C0 ATOM 1459 O ALA C 22 18.300 0.457 10.560 1.00 0.00 O0 ATOM 1460 CB ALA C 22 19.827 0.051 13.424 1.00 0.00 C0 ATOM 0 H ALA C 22 21.917 -0.844 12.464 1.00 0.00 H new ATOM 0 HA ALA C 22 19.181 -1.429 12.005 1.00 0.00 H new ATOM 0 HB1 ALA C 22 18.822 0.428 13.616 1.00 0.00 H new ATOM 0 HB2 ALA C 22 20.086 -0.692 14.178 1.00 0.00 H new ATOM 0 HB3 ALA C 22 20.538 0.876 13.468 1.00 0.00 H new ATOM 1466 N TRP C 23 20.397 1.284 10.584 1.00 0.00 N0 ATOM 1467 CA TRP C 23 20.110 2.312 9.591 1.00 0.00 C0 ATOM 1468 C TRP C 23 19.704 1.676 8.268 1.00 0.00 C0 ATOM 1469 O TRP C 23 18.779 2.145 7.605 1.00 0.00 O0 ATOM 1470 CB TRP C 23 21.336 3.199 9.388 1.00 0.00 C0 ATOM 1471 CG TRP C 23 20.971 4.379 8.557 1.00 0.00 C0 ATOM 1472 CD1 TRP C 23 20.537 5.565 9.041 1.00 0.00 C0 ATOM 1473 CD2 TRP C 23 20.992 4.510 7.106 1.00 0.00 C0 ATOM 1474 NE1 TRP C 23 20.292 6.417 7.978 1.00 0.00 N0 ATOM 1475 CE2 TRP C 23 20.557 5.813 6.766 1.00 0.00 C0 ATOM 1476 CE3 TRP C 23 21.342 3.634 6.062 1.00 0.00 C0 ATOM 1477 CZ2 TRP C 23 20.473 6.233 5.437 1.00 0.00 C0 ATOM 1478 CZ3 TRP C 23 21.257 4.053 4.724 1.00 0.00 C0 ATOM 1479 CH2 TRP C 23 20.824 5.350 4.412 1.00 0.00 C0 ATOM 0 H TRP C 23 21.357 1.282 10.929 1.00 0.00 H new ATOM 0 HA TRP C 23 19.283 2.923 9.952 1.00 0.00 H new ATOM 0 HB2 TRP C 23 21.723 3.527 10.353 1.00 0.00 H new ATOM 0 HB3 TRP C 23 22.130 2.632 8.902 1.00 0.00 H new ATOM 0 HD1 TRP C 23 20.404 5.807 10.085 1.00 0.00 H new ATOM 0 HE1 TRP C 23 19.956 7.375 8.078 1.00 0.00 H new ATOM 0 HE3 TRP C 23 21.678 2.633 6.291 1.00 0.00 H new ATOM 0 HZ2 TRP C 23 20.139 7.233 5.203 1.00 0.00 H new ATOM 0 HZ3 TRP C 23 21.527 3.372 3.930 1.00 0.00 H new ATOM 0 HH2 TRP C 23 20.762 5.666 3.381 1.00 0.00 H new ATOM 1490 N THR C 24 20.398 0.605 7.893 1.00 0.00 N0 ATOM 1491 CA THR C 24 20.090 -0.094 6.652 1.00 0.00 C0 ATOM 1492 C THR C 24 18.698 -0.710 6.713 1.00 0.00 C0 ATOM 1493 O THR C 24 17.941 -0.656 5.741 1.00 0.00 O0 ATOM 1494 CB THR C 24 21.129 -1.186 6.392 1.00 0.00 C0 ATOM 1495 OG1 THR C 24 22.364 -0.585 6.033 1.00 0.00 O0 ATOM 1496 CG2 THR C 24 20.649 -2.097 5.262 1.00 0.00 C0 ATOM 0 H THR C 24 21.171 0.206 8.426 1.00 0.00 H new ATOM 0 HA THR C 24 20.116 0.628 5.836 1.00 0.00 H new ATOM 0 HB THR C 24 21.264 -1.781 7.295 1.00 0.00 H new ATOM 0 HG1 THR C 24 23.034 -0.779 6.721 1.00 0.00 H new ATOM 0 HG21 THR C 24 21.392 -2.873 5.080 1.00 0.00 H new ATOM 0 HG22 THR C 24 19.703 -2.559 5.544 1.00 0.00 H new ATOM 0 HG23 THR C 24 20.509 -1.509 4.355 1.00 0.00 H new ATOM 1504 N ILE C 25 18.368 -1.297 7.858 1.00 0.00 N0 ATOM 1505 CA ILE C 25 17.061 -1.921 8.033 1.00 0.00 C0 ATOM 1506 C ILE C 25 15.948 -0.892 7.860 1.00 0.00 C0 ATOM 1507 O ILE C 25 14.957 -1.143 7.173 1.00 0.00 O0 ATOM 1508 CB ILE C 25 16.966 -2.547 9.423 1.00 0.00 C0 ATOM 1509 CG1 ILE C 25 17.894 -3.760 9.503 1.00 0.00 C0 ATOM 1510 CG2 ILE C 25 15.523 -2.991 9.689 1.00 0.00 C0 ATOM 1511 CD1 ILE C 25 18.043 -4.197 10.963 1.00 0.00 C0 ATOM 0 H ILE C 25 18.980 -1.354 8.672 1.00 0.00 H new ATOM 0 HA ILE C 25 16.944 -2.696 7.276 1.00 0.00 H new ATOM 0 HB ILE C 25 17.264 -1.812 10.171 1.00 0.00 H new ATOM 0 HG12 ILE C 25 17.491 -4.579 8.907 1.00 0.00 H new ATOM 0 HG13 ILE C 25 18.870 -3.512 9.086 1.00 0.00 H new ATOM 0 HG21 ILE C 25 15.457 -3.438 10.681 1.00 0.00 H new ATOM 0 HG22 ILE C 25 14.861 -2.127 9.635 1.00 0.00 H new ATOM 0 HG23 ILE C 25 15.224 -3.725 8.940 1.00 0.00 H new ATOM 0 HD11 ILE C 25 18.705 -5.062 11.018 1.00 0.00 H new ATOM 0 HD12 ILE C 25 18.465 -3.379 11.546 1.00 0.00 H new ATOM 0 HD13 ILE C 25 17.065 -4.462 11.365 1.00 0.00 H new ATOM 1523 N GLY C 26 16.122 0.269 8.484 1.00 0.00 N0 ATOM 1524 CA GLY C 26 15.127 1.333 8.387 1.00 0.00 C0 ATOM 1525 C GLY C 26 14.974 1.803 6.945 1.00 0.00 C0 ATOM 1526 O GLY C 26 13.858 1.996 6.459 1.00 0.00 O0 ATOM 0 H GLY C 26 16.934 0.496 9.057 1.00 0.00 H new ATOM 0 HA2 GLY C 26 14.168 0.975 8.761 1.00 0.00 H new ATOM 0 HA3 GLY C 26 15.422 2.171 9.018 1.00 0.00 H new ATOM 1530 N HIS C 27 16.101 1.979 6.260 1.00 0.00 N0 ATOM 1531 CA HIS C 27 16.079 2.424 4.872 1.00 0.00 C0 ATOM 1532 C HIS C 27 15.234 1.480 4.026 1.00 0.00 C0 ATOM 1533 O HIS C 27 14.421 1.921 3.212 1.00 0.00 O0 ATOM 1534 CB HIS C 27 17.504 2.475 4.319 1.00 0.00 C0 ATOM 1535 CG HIS C 27 17.454 2.681 2.831 1.00 0.00 C0 ATOM 1536 ND1 HIS C 27 17.831 1.879 1.782 1.00 0.00 N0 flip ATOM 1537 CD2 HIS C 27 16.968 3.848 2.259 1.00 0.00 C0 flip ATOM 1538 CE1 HIS C 27 17.582 2.535 0.578 1.00 0.00 C0 flip ATOM 1539 NE2 HIS C 27 17.062 3.716 0.923 1.00 0.00 N0 flip ATOM 0 H HIS C 27 17.034 1.821 6.641 1.00 0.00 H new ATOM 0 HA HIS C 27 15.640 3.421 4.833 1.00 0.00 H new ATOM 0 HB2 HIS C 27 18.060 3.285 4.791 1.00 0.00 H new ATOM 0 HB3 HIS C 27 18.030 1.549 4.552 1.00 0.00 H new ATOM 0 HD2 HIS C 27 16.584 4.707 2.790 1.00 0.00 H new ATOM 0 HE1 HIS C 27 17.769 2.167 -0.420 1.00 0.00 H new ATOM 0 HE2 HIS C 27 16.772 4.430 0.255 1.00 0.00 H new ATOM 1547 N LEU C 28 15.428 0.182 4.225 1.00 0.00 N0 ATOM 1548 CA LEU C 28 14.672 -0.813 3.477 1.00 0.00 C0 ATOM 1549 C LEU C 28 13.224 -0.852 3.941 1.00 0.00 C0 ATOM 1550 O LEU C 28 12.947 -0.887 5.137 1.00 0.00 O0 ATOM 1551 CB LEU C 28 15.308 -2.196 3.653 1.00 0.00 C0 ATOM 1552 CG LEU C 28 16.255 -2.482 2.486 1.00 0.00 C0 ATOM 1553 CD1 LEU C 28 15.442 -2.710 1.207 1.00 0.00 C0 ATOM 1554 CD2 LEU C 28 17.200 -1.287 2.289 1.00 0.00 C0 ATOM 0 H LEU C 28 16.096 -0.203 4.892 1.00 0.00 H new ATOM 0 HA LEU C 28 14.692 -0.536 2.423 1.00 0.00 H new ATOM 0 HB2 LEU C 28 15.854 -2.238 4.595 1.00 0.00 H new ATOM 0 HB3 LEU C 28 14.532 -2.960 3.700 1.00 0.00 H new ATOM 0 HG LEU C 28 16.840 -3.375 2.705 1.00 0.00 H new ATOM 0 HD11 LEU C 28 16.119 -2.914 0.377 1.00 0.00 H new ATOM 0 HD12 LEU C 28 14.774 -3.560 1.347 1.00 0.00 H new ATOM 0 HD13 LEU C 28 14.854 -1.819 0.986 1.00 0.00 H new ATOM 0 HD21 LEU C 28 17.875 -1.490 1.458 1.00 0.00 H new ATOM 0 HD22 LEU C 28 16.616 -0.393 2.072 1.00 0.00 H new ATOM 0 HD23 LEU C 28 17.781 -1.129 3.198 1.00 0.00 H new ATOM 1702 N GLU D 3 52.100 5.109 2.329 1.00 0.00 N0 ATOM 1703 CA GLU D 3 50.655 5.241 2.354 1.00 0.00 C0 ATOM 1704 C GLU D 3 50.251 6.704 2.530 1.00 0.00 C0 ATOM 1705 O GLU D 3 51.038 7.520 3.016 1.00 0.00 O0 ATOM 1706 CB GLU D 3 50.069 4.407 3.496 1.00 0.00 C0 ATOM 1707 CG GLU D 3 50.539 4.973 4.836 1.00 0.00 C0 ATOM 1708 CD GLU D 3 49.967 4.146 5.980 1.00 0.00 C0 ATOM 1709 OE1 GLU D 3 49.228 3.216 5.701 1.00 0.00 O0 ATOM 1710 OE2 GLU D 3 50.274 4.455 7.119 1.00 0.00 O1- ATOM 0 HA GLU D 3 50.263 4.879 1.404 1.00 0.00 H new ATOM 0 HB2 GLU D 3 48.980 4.418 3.447 1.00 0.00 H new ATOM 0 HB3 GLU D 3 50.382 3.367 3.399 1.00 0.00 H new ATOM 0 HG2 GLU D 3 51.628 4.967 4.881 1.00 0.00 H new ATOM 0 HG3 GLU D 3 50.222 6.011 4.933 1.00 0.00 H new ATOM 1717 N PRO D 4 49.045 7.042 2.162 1.00 0.00 N0 ATOM 1718 CA PRO D 4 48.522 8.434 2.291 1.00 0.00 C0 ATOM 1719 C PRO D 4 48.639 8.962 3.721 1.00 0.00 C0 ATOM 1720 O PRO D 4 48.974 10.126 3.938 1.00 0.00 O0 ATOM 1721 CB PRO D 4 47.050 8.307 1.881 1.00 0.00 C0 ATOM 1722 CG PRO D 4 46.975 7.073 1.048 1.00 0.00 C0 ATOM 1723 CD PRO D 4 48.046 6.137 1.574 1.00 0.00 C0 ATOM 0 HA PRO D 4 49.083 9.140 1.679 1.00 0.00 H new ATOM 0 HB2 PRO D 4 46.404 8.230 2.756 1.00 0.00 H new ATOM 0 HB3 PRO D 4 46.722 9.181 1.318 1.00 0.00 H new ATOM 0 HG2 PRO D 4 45.989 6.615 1.120 1.00 0.00 H new ATOM 0 HG3 PRO D 4 47.143 7.304 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO D 4 47.645 5.447 2.317 1.00 0.00 H new ATOM 0 HD3 PRO D 4 48.475 5.532 0.776 1.00 0.00 H new ATOM 1731 N PHE D 5 48.363 8.096 4.691 1.00 0.00 N0 ATOM 1732 CA PHE D 5 48.442 8.485 6.095 1.00 0.00 C0 ATOM 1733 C PHE D 5 48.389 7.254 6.994 1.00 0.00 C0 ATOM 1734 O PHE D 5 49.389 6.874 7.599 1.00 0.00 O0 ATOM 1735 CB PHE D 5 47.287 9.426 6.443 1.00 0.00 C0 ATOM 1736 CG PHE D 5 47.818 10.825 6.638 1.00 0.00 C0 ATOM 1737 CD1 PHE D 5 47.522 11.823 5.703 1.00 0.00 C0 ATOM 1738 CD2 PHE D 5 48.606 11.124 7.756 1.00 0.00 C0 ATOM 1739 CE1 PHE D 5 48.015 13.121 5.885 1.00 0.00 C0 ATOM 1740 CE2 PHE D 5 49.099 12.423 7.938 1.00 0.00 C0 ATOM 1741 CZ PHE D 5 48.802 13.421 7.002 1.00 0.00 C0 ATOM 0 H PHE D 5 48.085 7.128 4.533 1.00 0.00 H new ATOM 0 HA PHE D 5 49.389 9.000 6.258 1.00 0.00 H new ATOM 0 HB2 PHE D 5 46.543 9.416 5.646 1.00 0.00 H new ATOM 0 HB3 PHE D 5 46.787 9.086 7.350 1.00 0.00 H new ATOM 0 HD1 PHE D 5 46.913 11.592 4.841 1.00 0.00 H new ATOM 0 HD2 PHE D 5 48.834 10.354 8.478 1.00 0.00 H new ATOM 0 HE1 PHE D 5 47.788 13.891 5.163 1.00 0.00 H new ATOM 0 HE2 PHE D 5 49.708 12.654 8.800 1.00 0.00 H new ATOM 0 HZ PHE D 5 49.181 14.423 7.142 1.00 0.00 H new ATOM 1751 N GLN D 6 47.216 6.635 7.071 1.00 0.00 N0 ATOM 1752 CA GLN D 6 47.041 5.445 7.895 1.00 0.00 C0 ATOM 1753 C GLN D 6 45.945 4.552 7.319 1.00 0.00 C0 ATOM 1754 O GLN D 6 45.102 5.003 6.550 1.00 0.00 O0 ATOM 1755 CB GLN D 6 46.676 5.847 9.327 1.00 0.00 C0 ATOM 1756 CG GLN D 6 47.923 5.772 10.211 1.00 0.00 C0 ATOM 1757 CD GLN D 6 47.646 6.430 11.557 1.00 0.00 C0 ATOM 1758 OE1 GLN D 6 46.529 6.876 11.814 1.00 0.00 O0 ATOM 1759 NE2 GLN D 6 48.606 6.520 12.438 1.00 0.00 N0 ATOM 0 H GLN D 6 46.376 6.936 6.576 1.00 0.00 H new ATOM 0 HA GLN D 6 47.980 4.891 7.903 1.00 0.00 H new ATOM 0 HB2 GLN D 6 46.268 6.858 9.340 1.00 0.00 H new ATOM 0 HB3 GLN D 6 45.901 5.186 9.716 1.00 0.00 H new ATOM 0 HG2 GLN D 6 48.213 4.732 10.358 1.00 0.00 H new ATOM 0 HG3 GLN D 6 48.759 6.269 9.719 1.00 0.00 H new ATOM 0 HE21 GLN D 6 49.532 6.150 12.223 1.00 0.00 H new ATOM 0 HE22 GLN D 6 48.430 6.961 13.341 1.00 0.00 H new ATOM 1768 N ILE D 7 45.961 3.285 7.708 1.00 0.00 N0 ATOM 1769 CA ILE D 7 44.962 2.340 7.233 1.00 0.00 C0 ATOM 1770 C ILE D 7 43.564 2.809 7.612 1.00 0.00 C0 ATOM 1771 O ILE D 7 42.594 2.546 6.901 1.00 0.00 O0 ATOM 1772 CB ILE D 7 45.228 0.953 7.826 1.00 0.00 C0 ATOM 1773 CG1 ILE D 7 46.520 0.381 7.231 1.00 0.00 C0 ATOM 1774 CG2 ILE D 7 44.063 0.018 7.490 1.00 0.00 C0 ATOM 1775 CD1 ILE D 7 46.959 -0.842 8.041 1.00 0.00 C0 ATOM 0 H ILE D 7 46.651 2.890 8.347 1.00 0.00 H new ATOM 0 HA ILE D 7 45.027 2.281 6.147 1.00 0.00 H new ATOM 0 HB ILE D 7 45.328 1.038 8.908 1.00 0.00 H new ATOM 0 HG12 ILE D 7 46.361 0.102 6.189 1.00 0.00 H new ATOM 0 HG13 ILE D 7 47.304 1.138 7.242 1.00 0.00 H new ATOM 0 HG21 ILE D 7 44.254 -0.968 7.913 1.00 0.00 H new ATOM 0 HG22 ILE D 7 43.141 0.420 7.910 1.00 0.00 H new ATOM 0 HG23 ILE D 7 43.963 -0.064 6.408 1.00 0.00 H new ATOM 0 HD11 ILE D 7 47.878 -1.248 7.618 1.00 0.00 H new ATOM 0 HD12 ILE D 7 47.135 -0.549 9.076 1.00 0.00 H new ATOM 0 HD13 ILE D 7 46.177 -1.601 8.007 1.00 0.00 H new ATOM 1787 N LEU D 8 43.457 3.478 8.759 1.00 0.00 N0 ATOM 1788 CA LEU D 8 42.153 3.944 9.221 1.00 0.00 C0 ATOM 1789 C LEU D 8 41.604 5.012 8.284 1.00 0.00 C0 ATOM 1790 O LEU D 8 40.581 4.806 7.632 1.00 0.00 O0 ATOM 1791 CB LEU D 8 42.295 4.536 10.630 1.00 0.00 C0 ATOM 1792 CG LEU D 8 42.007 3.455 11.672 1.00 0.00 C0 ATOM 1793 CD1 LEU D 8 40.507 3.140 11.679 1.00 0.00 C0 ATOM 1794 CD2 LEU D 8 42.801 2.187 11.328 1.00 0.00 C0 ATOM 0 H LEU D 8 44.239 3.705 9.373 1.00 0.00 H new ATOM 0 HA LEU D 8 41.465 3.099 9.236 1.00 0.00 H new ATOM 0 HB2 LEU D 8 43.301 4.931 10.770 1.00 0.00 H new ATOM 0 HB3 LEU D 8 41.605 5.370 10.756 1.00 0.00 H new ATOM 0 HG LEU D 8 42.306 3.810 12.658 1.00 0.00 H new ATOM 0 HD11 LEU D 8 40.301 2.369 12.422 1.00 0.00 H new ATOM 0 HD12 LEU D 8 39.947 4.042 11.927 1.00 0.00 H new ATOM 0 HD13 LEU D 8 40.205 2.785 10.694 1.00 0.00 H new ATOM 0 HD21 LEU D 8 42.596 1.416 12.071 1.00 0.00 H new ATOM 0 HD22 LEU D 8 42.505 1.829 10.342 1.00 0.00 H new ATOM 0 HD23 LEU D 8 43.867 2.414 11.326 1.00 0.00 H new ATOM 1806 N SER D 9 42.295 6.145 8.206 1.00 0.00 N0 ATOM 1807 CA SER D 9 41.864 7.233 7.336 1.00 0.00 C0 ATOM 1808 C SER D 9 41.585 6.701 5.934 1.00 0.00 C0 ATOM 1809 O SER D 9 40.701 7.198 5.235 1.00 0.00 O0 ATOM 1810 CB SER D 9 42.949 8.306 7.270 1.00 0.00 C0 ATOM 1811 OG SER D 9 44.123 7.746 6.698 1.00 0.00 O0 ATOM 0 H SER D 9 43.149 6.333 8.731 1.00 0.00 H new ATOM 0 HA SER D 9 40.951 7.668 7.742 1.00 0.00 H new ATOM 0 HB2 SER D 9 42.606 9.151 6.673 1.00 0.00 H new ATOM 0 HB3 SER D 9 43.162 8.687 8.269 1.00 0.00 H new ATOM 0 HG SER D 9 44.125 6.776 6.839 1.00 0.00 H new ATOM 1817 N ILE D 10 42.334 5.676 5.538 1.00 0.00 N0 ATOM 1818 CA ILE D 10 42.144 5.074 4.224 1.00 0.00 C0 ATOM 1819 C ILE D 10 40.823 4.305 4.159 1.00 0.00 C0 ATOM 1820 O ILE D 10 40.049 4.444 3.204 1.00 0.00 O0 ATOM 1821 CB ILE D 10 43.307 4.130 3.916 1.00 0.00 C0 ATOM 1822 CG1 ILE D 10 44.578 4.952 3.676 1.00 0.00 C0 ATOM 1823 CG2 ILE D 10 42.987 3.311 2.667 1.00 0.00 C0 ATOM 1824 CD1 ILE D 10 45.806 4.038 3.758 1.00 0.00 C0 ATOM 0 H ILE D 10 43.070 5.249 6.101 1.00 0.00 H new ATOM 0 HA ILE D 10 42.113 5.872 3.482 1.00 0.00 H new ATOM 0 HB ILE D 10 43.460 3.456 4.759 1.00 0.00 H new ATOM 0 HG12 ILE D 10 44.534 5.431 2.698 1.00 0.00 H new ATOM 0 HG13 ILE D 10 44.654 5.747 4.418 1.00 0.00 H new ATOM 0 HG21 ILE D 10 43.817 2.639 2.450 1.00 0.00 H new ATOM 0 HG22 ILE D 10 42.083 2.727 2.837 1.00 0.00 H new ATOM 0 HG23 ILE D 10 42.832 3.982 1.822 1.00 0.00 H new ATOM 0 HD11 ILE D 10 46.708 4.625 3.587 1.00 0.00 H new ATOM 0 HD12 ILE D 10 45.853 3.580 4.746 1.00 0.00 H new ATOM 0 HD13 ILE D 10 45.731 3.259 3.000 1.00 0.00 H new ATOM 1836 N CYS D 11 40.570 3.489 5.179 1.00 0.00 N0 ATOM 1837 CA CYS D 11 39.345 2.703 5.223 1.00 0.00 C0 ATOM 1838 C CYS D 11 38.129 3.622 5.228 1.00 0.00 C0 ATOM 1839 O CYS D 11 37.184 3.426 4.462 1.00 0.00 O0 ATOM 1840 CB CYS D 11 39.331 1.832 6.481 1.00 0.00 C0 ATOM 1841 SG CYS D 11 40.564 0.518 6.319 1.00 0.00 S0 ATOM 0 H CYS D 11 41.191 3.357 5.977 1.00 0.00 H new ATOM 0 HA CYS D 11 39.307 2.066 4.339 1.00 0.00 H new ATOM 0 HB2 CYS D 11 39.546 2.440 7.360 1.00 0.00 H new ATOM 0 HB3 CYS D 11 38.341 1.400 6.626 1.00 0.00 H new ATOM 0 HG CYS D 11 41.756 1.028 6.411 1.00 0.00 H new ATOM 1847 N SER D 12 38.162 4.636 6.087 1.00 0.00 N0 ATOM 1848 CA SER D 12 37.061 5.587 6.176 1.00 0.00 C0 ATOM 1849 C SER D 12 36.929 6.372 4.877 1.00 0.00 C0 ATOM 1850 O SER D 12 35.839 6.785 4.509 1.00 0.00 O0 ATOM 1851 CB SER D 12 37.295 6.554 7.337 1.00 0.00 C0 ATOM 1852 OG SER D 12 37.194 5.848 8.566 1.00 0.00 O0 ATOM 0 H SER D 12 38.934 4.819 6.727 1.00 0.00 H new ATOM 0 HA SER D 12 36.139 5.032 6.349 1.00 0.00 H new ATOM 0 HB2 SER D 12 38.279 7.014 7.249 1.00 0.00 H new ATOM 0 HB3 SER D 12 36.562 7.360 7.307 1.00 0.00 H new ATOM 0 HG SER D 12 37.345 6.466 9.312 1.00 0.00 H new ATOM 1858 N PHE D 13 38.050 6.580 4.195 1.00 0.00 N0 ATOM 1859 CA PHE D 13 38.041 7.322 2.938 1.00 0.00 C0 ATOM 1860 C PHE D 13 37.168 6.615 1.902 1.00 0.00 C0 ATOM 1861 O PHE D 13 36.291 7.232 1.279 1.00 0.00 O0 ATOM 1862 CB PHE D 13 39.468 7.453 2.401 1.00 0.00 C0 ATOM 1863 CG PHE D 13 39.446 8.197 1.090 1.00 0.00 C0 ATOM 1864 CD1 PHE D 13 39.425 9.595 1.080 1.00 0.00 C0 ATOM 1865 CD2 PHE D 13 39.446 7.487 -0.117 1.00 0.00 C0 ATOM 1866 CE1 PHE D 13 39.404 10.287 -0.136 1.00 0.00 C0 ATOM 1867 CE2 PHE D 13 39.425 8.179 -1.334 1.00 0.00 C0 ATOM 1868 CZ PHE D 13 39.404 9.579 -1.343 1.00 0.00 C0 ATOM 0 H PHE D 13 38.969 6.249 4.487 1.00 0.00 H new ATOM 0 HA PHE D 13 37.629 8.314 3.126 1.00 0.00 H new ATOM 0 HB2 PHE D 13 40.092 7.982 3.121 1.00 0.00 H new ATOM 0 HB3 PHE D 13 39.908 6.465 2.263 1.00 0.00 H new ATOM 0 HD1 PHE D 13 39.425 10.141 2.012 1.00 0.00 H new ATOM 0 HD2 PHE D 13 39.462 6.407 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE D 13 39.388 11.367 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE D 13 39.425 7.633 -2.266 1.00 0.00 H new ATOM 0 HZ PHE D 13 39.388 10.113 -2.282 1.00 0.00 H new ATOM 1878 N ILE D 14 37.398 5.315 1.735 1.00 0.00 N0 ATOM 1879 CA ILE D 14 36.617 4.536 0.781 1.00 0.00 C0 ATOM 1880 C ILE D 14 35.160 4.438 1.227 1.00 0.00 C0 ATOM 1881 O ILE D 14 34.236 4.528 0.406 1.00 0.00 O0 ATOM 1882 CB ILE D 14 37.212 3.134 0.636 1.00 0.00 C0 ATOM 1883 CG1 ILE D 14 38.570 3.227 -0.069 1.00 0.00 C0 ATOM 1884 CG2 ILE D 14 36.269 2.256 -0.191 1.00 0.00 C0 ATOM 1885 CD1 ILE D 14 39.272 1.869 -0.007 1.00 0.00 C0 ATOM 0 H ILE D 14 38.109 4.786 2.240 1.00 0.00 H new ATOM 0 HA ILE D 14 36.651 5.042 -0.184 1.00 0.00 H new ATOM 0 HB ILE D 14 37.342 2.693 1.624 1.00 0.00 H new ATOM 0 HG12 ILE D 14 38.433 3.530 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE D 14 39.187 3.989 0.407 1.00 0.00 H new ATOM 0 HG21 ILE D 14 36.696 1.258 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE D 14 35.303 2.188 0.309 1.00 0.00 H new ATOM 0 HG23 ILE D 14 36.136 2.696 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE D 14 40.238 1.935 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE D 14 39.423 1.584 1.034 1.00 0.00 H new ATOM 0 HD13 ILE D 14 38.657 1.118 -0.503 1.00 0.00 H new ATOM 1897 N LEU D 15 34.959 4.231 2.530 1.00 0.00 N0 ATOM 1898 CA LEU D 15 33.606 4.104 3.061 1.00 0.00 C0 ATOM 1899 C LEU D 15 32.830 5.391 2.837 1.00 0.00 C0 ATOM 1900 O LEU D 15 31.824 5.387 2.151 1.00 0.00 O0 ATOM 1901 CB LEU D 15 33.671 3.796 4.559 1.00 0.00 C0 ATOM 1902 CG LEU D 15 33.874 2.295 4.764 1.00 0.00 C0 ATOM 1903 CD1 LEU D 15 34.381 2.039 6.184 1.00 0.00 C0 ATOM 1904 CD2 LEU D 15 32.541 1.574 4.561 1.00 0.00 C0 ATOM 0 H LEU D 15 35.702 4.149 3.224 1.00 0.00 H new ATOM 0 HA LEU D 15 33.097 3.291 2.543 1.00 0.00 H new ATOM 0 HB2 LEU D 15 34.489 4.350 5.020 1.00 0.00 H new ATOM 0 HB3 LEU D 15 32.752 4.119 5.048 1.00 0.00 H new ATOM 0 HG LEU D 15 34.605 1.923 4.046 1.00 0.00 H new ATOM 0 HD11 LEU D 15 34.526 0.969 6.331 1.00 0.00 H new ATOM 0 HD12 LEU D 15 35.329 2.557 6.331 1.00 0.00 H new ATOM 0 HD13 LEU D 15 33.650 2.408 6.903 1.00 0.00 H new ATOM 0 HD21 LEU D 15 32.681 0.503 4.706 1.00 0.00 H new ATOM 0 HD22 LEU D 15 31.813 1.946 5.282 1.00 0.00 H new ATOM 0 HD23 LEU D 15 32.178 1.759 3.550 1.00 0.00 H new ATOM 1916 N SER D 16 33.310 6.486 3.418 1.00 0.00 N0 ATOM 1917 CA SER D 16 32.654 7.780 3.270 1.00 0.00 C0 ATOM 1918 C SER D 16 32.301 8.012 1.808 1.00 0.00 C0 ATOM 1919 O SER D 16 31.240 8.553 1.493 1.00 0.00 O0 ATOM 1920 CB SER D 16 33.580 8.891 3.760 1.00 0.00 C0 ATOM 1921 OG SER D 16 32.960 10.150 3.544 1.00 0.00 O0 ATOM 0 H SER D 16 34.151 6.503 3.995 1.00 0.00 H new ATOM 0 HA SER D 16 31.741 7.788 3.866 1.00 0.00 H new ATOM 0 HB2 SER D 16 33.798 8.757 4.820 1.00 0.00 H new ATOM 0 HB3 SER D 16 34.532 8.846 3.231 1.00 0.00 H new ATOM 0 HG SER D 16 33.552 10.865 3.859 1.00 0.00 H new ATOM 1927 N ALA D 17 33.198 7.592 0.912 1.00 0.00 N0 ATOM 1928 CA ALA D 17 32.954 7.756 -0.519 1.00 0.00 C0 ATOM 1929 C ALA D 17 31.653 7.058 -0.929 1.00 0.00 C0 ATOM 1930 O ALA D 17 30.716 7.689 -1.440 1.00 0.00 O0 ATOM 1931 CB ALA D 17 34.119 7.157 -1.308 1.00 0.00 C0 ATOM 0 H ALA D 17 34.084 7.144 1.148 1.00 0.00 H new ATOM 0 HA ALA D 17 32.865 8.820 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA D 17 33.937 7.280 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA D 17 35.043 7.668 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA D 17 34.209 6.096 -1.075 1.00 0.00 H new ATOM 1937 N LEU D 18 31.581 5.758 -0.663 1.00 0.00 N0 ATOM 1938 CA LEU D 18 30.379 4.997 -0.986 1.00 0.00 C0 ATOM 1939 C LEU D 18 29.198 5.462 -0.144 1.00 0.00 C0 ATOM 1940 O LEU D 18 28.040 5.206 -0.485 1.00 0.00 O0 ATOM 1941 CB LEU D 18 30.625 3.505 -0.747 1.00 0.00 C0 ATOM 1942 CG LEU D 18 31.053 2.838 -2.054 1.00 0.00 C0 ATOM 1943 CD1 LEU D 18 29.852 2.744 -3.001 1.00 0.00 C0 ATOM 1944 CD2 LEU D 18 32.166 3.669 -2.714 1.00 0.00 C0 ATOM 0 H LEU D 18 32.329 5.215 -0.231 1.00 0.00 H new ATOM 0 HA LEU D 18 30.143 5.164 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU D 18 31.397 3.371 0.011 1.00 0.00 H new ATOM 0 HB3 LEU D 18 29.719 3.033 -0.366 1.00 0.00 H new ATOM 0 HG LEU D 18 31.425 1.835 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU D 18 30.159 2.268 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU D 18 29.065 2.152 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU D 18 29.476 3.745 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU D 18 32.471 3.193 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU D 18 31.795 4.673 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU D 18 33.021 3.731 -2.041 1.00 0.00 H new ATOM 1956 N HIS D 19 29.497 6.139 0.959 1.00 0.00 N0 ATOM 1957 CA HIS D 19 28.461 6.631 1.850 1.00 0.00 C0 ATOM 1958 C HIS D 19 27.684 7.763 1.203 1.00 0.00 C0 ATOM 1959 O HIS D 19 26.467 7.755 1.212 1.00 0.00 O0 ATOM 1960 CB HIS D 19 29.081 7.123 3.157 1.00 0.00 C0 ATOM 1961 CG HIS D 19 28.007 7.276 4.196 1.00 0.00 C0 ATOM 1962 ND1 HIS D 19 26.638 7.224 4.117 1.00 0.00 N0 flip ATOM 1963 CD2 HIS D 19 28.299 7.512 5.534 1.00 0.00 C0 flip ATOM 1964 CE1 HIS D 19 26.087 7.424 5.383 1.00 0.00 C0 flip ATOM 1965 NE2 HIS D 19 27.132 7.593 6.198 1.00 0.00 N0 flip ATOM 0 H HIS D 19 30.448 6.358 1.255 1.00 0.00 H new ATOM 0 HA HIS D 19 27.776 5.809 2.058 1.00 0.00 H new ATOM 0 HB2 HIS D 19 29.837 6.417 3.501 1.00 0.00 H new ATOM 0 HB3 HIS D 19 29.585 8.076 2.997 1.00 0.00 H new ATOM 0 HD1 HIS D 19 26.104 7.064 3.263 1.00 0.00 H new ATOM 0 HD2 HIS D 19 29.285 7.612 5.963 1.00 0.00 H new ATOM 0 HE1 HIS D 19 25.040 7.439 5.648 1.00 0.00 H new ATOM 1973 N PHE D 20 28.398 8.720 0.629 1.00 0.00 N0 ATOM 1974 CA PHE D 20 27.760 9.853 -0.027 1.00 0.00 C0 ATOM 1975 C PHE D 20 27.191 9.446 -1.375 1.00 0.00 C0 ATOM 1976 O PHE D 20 26.275 10.086 -1.889 1.00 0.00 O0 ATOM 1977 CB PHE D 20 28.775 10.982 -0.215 1.00 0.00 C0 ATOM 1978 CG PHE D 20 28.299 12.220 0.509 1.00 0.00 C0 ATOM 1979 CD1 PHE D 20 28.065 12.179 1.889 1.00 0.00 C0 ATOM 1980 CD2 PHE D 20 28.091 13.408 -0.202 1.00 0.00 C0 ATOM 1981 CE1 PHE D 20 27.620 13.325 2.556 1.00 0.00 C0 ATOM 1982 CE2 PHE D 20 27.648 14.554 0.467 1.00 0.00 C0 ATOM 1983 CZ PHE D 20 27.413 14.511 1.844 1.00 0.00 C0 ATOM 0 H PHE D 20 29.418 8.735 0.604 1.00 0.00 H new ATOM 0 HA PHE D 20 26.941 10.200 0.604 1.00 0.00 H new ATOM 0 HB2 PHE D 20 29.749 10.676 0.168 1.00 0.00 H new ATOM 0 HB3 PHE D 20 28.903 11.196 -1.276 1.00 0.00 H new ATOM 0 HD1 PHE D 20 28.228 11.263 2.438 1.00 0.00 H new ATOM 0 HD2 PHE D 20 28.272 13.440 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE D 20 27.436 13.294 3.620 1.00 0.00 H new ATOM 0 HE2 PHE D 20 27.488 15.471 -0.080 1.00 0.00 H new ATOM 0 HZ PHE D 20 27.071 15.396 2.360 1.00 0.00 H new ATOM 1993 N MET D 21 27.727 8.377 -1.944 1.00 0.00 N0 ATOM 1994 CA MET D 21 27.245 7.900 -3.236 1.00 0.00 C0 ATOM 1995 C MET D 21 25.855 7.276 -3.115 1.00 0.00 C0 ATOM 1996 O MET D 21 24.895 7.728 -3.753 1.00 0.00 O0 ATOM 1997 CB MET D 21 28.220 6.860 -3.789 1.00 0.00 C0 ATOM 1998 CG MET D 21 29.496 7.556 -4.267 1.00 0.00 C0 ATOM 1999 SD MET D 21 29.135 8.547 -5.739 1.00 0.00 S0 ATOM 2000 CE MET D 21 29.285 10.174 -4.963 1.00 0.00 C0 ATOM 0 H MET D 21 28.486 7.828 -1.540 1.00 0.00 H new ATOM 0 HA MET D 21 27.179 8.753 -3.911 1.00 0.00 H new ATOM 0 HB2 MET D 21 28.460 6.127 -3.019 1.00 0.00 H new ATOM 0 HB3 MET D 21 27.759 6.317 -4.614 1.00 0.00 H new ATOM 0 HG2 MET D 21 29.893 8.193 -3.476 1.00 0.00 H new ATOM 0 HG3 MET D 21 30.263 6.815 -4.494 1.00 0.00 H new ATOM 0 HE1 MET D 21 28.600 10.872 -5.445 1.00 0.00 H new ATOM 0 HE2 MET D 21 29.038 10.096 -3.904 1.00 0.00 H new ATOM 0 HE3 MET D 21 30.308 10.536 -5.071 1.00 0.00 H new ATOM 2010 N ALA D 22 25.757 6.229 -2.307 1.00 0.00 N0 ATOM 2011 CA ALA D 22 24.484 5.542 -2.120 1.00 0.00 C0 ATOM 2012 C ALA D 22 23.475 6.443 -1.411 1.00 0.00 C0 ATOM 2013 O ALA D 22 22.290 6.445 -1.749 1.00 0.00 O0 ATOM 2014 CB ALA D 22 24.692 4.265 -1.310 1.00 0.00 C0 ATOM 0 H ALA D 22 26.535 5.839 -1.775 1.00 0.00 H new ATOM 0 HA ALA D 22 24.089 5.287 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA D 22 23.736 3.759 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA D 22 25.380 3.606 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA D 22 25.109 4.517 -0.335 1.00 0.00 H new ATOM 2020 N TRP D 23 23.951 7.191 -0.419 1.00 0.00 N0 ATOM 2021 CA TRP D 23 23.080 8.080 0.339 1.00 0.00 C0 ATOM 2022 C TRP D 23 22.482 9.145 -0.572 1.00 0.00 C0 ATOM 2023 O TRP D 23 21.303 9.482 -0.455 1.00 0.00 O0 ATOM 2024 CB TRP D 23 23.865 8.746 1.467 1.00 0.00 C0 ATOM 2025 CG TRP D 23 22.930 9.465 2.373 1.00 0.00 C0 ATOM 2026 CD1 TRP D 23 22.345 8.929 3.470 1.00 0.00 C0 ATOM 2027 CD2 TRP D 23 22.451 10.838 2.284 1.00 0.00 C0 ATOM 2028 NE1 TRP D 23 21.541 9.888 4.059 1.00 0.00 N0 ATOM 2029 CE2 TRP D 23 21.573 11.081 3.365 1.00 0.00 C0 ATOM 2030 CE3 TRP D 23 22.693 11.887 1.378 1.00 0.00 C0 ATOM 2031 CZ2 TRP D 23 20.955 12.321 3.543 1.00 0.00 C0 ATOM 2032 CZ3 TRP D 23 22.073 13.136 1.554 1.00 0.00 C0 ATOM 2033 CH2 TRP D 23 21.206 13.352 2.634 1.00 0.00 C0 ATOM 0 H TRP D 23 24.927 7.199 -0.124 1.00 0.00 H new ATOM 0 HA TRP D 23 22.270 7.489 0.766 1.00 0.00 H new ATOM 0 HB2 TRP D 23 24.424 7.996 2.026 1.00 0.00 H new ATOM 0 HB3 TRP D 23 24.594 9.443 1.053 1.00 0.00 H new ATOM 0 HD1 TRP D 23 22.483 7.919 3.826 1.00 0.00 H new ATOM 0 HE1 TRP D 23 20.991 9.733 4.904 1.00 0.00 H new ATOM 0 HE3 TRP D 23 23.359 11.731 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP D 23 20.288 12.482 4.377 1.00 0.00 H new ATOM 0 HZ3 TRP D 23 22.266 13.934 0.853 1.00 0.00 H new ATOM 0 HH2 TRP D 23 20.733 14.314 2.763 1.00 0.00 H new ATOM 2044 N THR D 24 23.301 9.666 -1.484 1.00 0.00 N0 ATOM 2045 CA THR D 24 22.836 10.682 -2.419 1.00 0.00 C0 ATOM 2046 C THR D 24 21.776 10.111 -3.354 1.00 0.00 C0 ATOM 2047 O THR D 24 20.771 10.766 -3.642 1.00 0.00 O0 ATOM 2048 CB THR D 24 24.009 11.221 -3.237 1.00 0.00 C0 ATOM 2049 OG1 THR D 24 24.838 12.018 -2.403 1.00 0.00 O0 ATOM 2050 CG2 THR D 24 23.487 12.062 -4.401 1.00 0.00 C0 ATOM 0 H THR D 24 24.280 9.403 -1.593 1.00 0.00 H new ATOM 0 HA THR D 24 22.393 11.496 -1.845 1.00 0.00 H new ATOM 0 HB THR D 24 24.587 10.386 -3.634 1.00 0.00 H new ATOM 0 HG1 THR D 24 25.387 11.437 -1.836 1.00 0.00 H new ATOM 0 HG21 THR D 24 24.328 12.443 -4.980 1.00 0.00 H new ATOM 0 HG22 THR D 24 22.856 11.446 -5.041 1.00 0.00 H new ATOM 0 HG23 THR D 24 22.905 12.898 -4.013 1.00 0.00 H new ATOM 2058 N ILE D 25 22.005 8.887 -3.822 1.00 0.00 N0 ATOM 2059 CA ILE D 25 21.058 8.239 -4.723 1.00 0.00 C0 ATOM 2060 C ILE D 25 19.702 8.075 -4.044 1.00 0.00 C0 ATOM 2061 O ILE D 25 18.661 8.358 -4.639 1.00 0.00 O0 ATOM 2062 CB ILE D 25 21.592 6.869 -5.137 1.00 0.00 C0 ATOM 2063 CG1 ILE D 25 22.811 7.051 -6.045 1.00 0.00 C0 ATOM 2064 CG2 ILE D 25 20.504 6.102 -5.892 1.00 0.00 C0 ATOM 2065 CD1 ILE D 25 23.539 5.712 -6.198 1.00 0.00 C0 ATOM 0 H ILE D 25 22.829 8.330 -3.595 1.00 0.00 H new ATOM 0 HA ILE D 25 20.935 8.865 -5.607 1.00 0.00 H new ATOM 0 HB ILE D 25 21.880 6.308 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE D 25 22.498 7.421 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE D 25 23.484 7.797 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE D 25 20.886 5.125 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE D 25 19.635 5.972 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE D 25 20.215 6.662 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE D 25 24.407 5.842 -6.845 1.00 0.00 H new ATOM 0 HD12 ILE D 25 23.865 5.361 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE D 25 22.864 4.979 -6.640 1.00 0.00 H new ATOM 2077 N GLY D 26 19.722 7.621 -2.795 1.00 0.00 N0 ATOM 2078 CA GLY D 26 18.485 7.427 -2.043 1.00 0.00 C0 ATOM 2079 C GLY D 26 17.754 8.750 -1.850 1.00 0.00 C0 ATOM 2080 O GLY D 26 16.536 8.828 -2.011 1.00 0.00 O0 ATOM 0 H GLY D 26 20.572 7.382 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY D 26 17.840 6.724 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY D 26 18.710 6.986 -1.072 1.00 0.00 H new ATOM 2084 N HIS D 27 18.507 9.794 -1.511 1.00 0.00 N0 ATOM 2085 CA HIS D 27 17.920 11.113 -1.302 1.00 0.00 C0 ATOM 2086 C HIS D 27 17.166 11.563 -2.549 1.00 0.00 C0 ATOM 2087 O HIS D 27 16.051 12.076 -2.455 1.00 0.00 O0 ATOM 2088 CB HIS D 27 19.017 12.126 -0.972 1.00 0.00 C0 ATOM 2089 CG HIS D 27 18.442 13.514 -1.013 1.00 0.00 C0 ATOM 2090 ND1 HIS D 27 18.683 14.580 -1.844 1.00 0.00 N0 flip ATOM 2091 CD2 HIS D 27 17.485 13.947 -0.109 1.00 0.00 C0 flip ATOM 2092 CE1 HIS D 27 17.889 15.659 -1.464 1.00 0.00 C0 flip ATOM 2093 NE2 HIS D 27 17.186 15.224 -0.414 1.00 0.00 N0 flip ATOM 0 H HIS D 27 19.517 9.752 -1.376 1.00 0.00 H new ATOM 0 HA HIS D 27 17.220 11.053 -0.468 1.00 0.00 H new ATOM 0 HB2 HIS D 27 19.432 11.921 0.015 1.00 0.00 H new ATOM 0 HB3 HIS D 27 19.836 12.038 -1.686 1.00 0.00 H new ATOM 0 HD2 HIS D 27 17.057 13.366 0.694 1.00 0.00 H new ATOM 0 HE1 HIS D 27 17.850 16.637 -1.920 1.00 0.00 H new ATOM 0 HE2 HIS D 27 16.506 15.790 0.094 1.00 0.00 H new ATOM 2101 N LEU D 28 17.780 11.363 -3.709 1.00 0.00 N0 ATOM 2102 CA LEU D 28 17.149 11.746 -4.965 1.00 0.00 C0 ATOM 2103 C LEU D 28 15.999 10.809 -5.299 1.00 0.00 C0 ATOM 2104 O LEU D 28 16.135 9.591 -5.221 1.00 0.00 O0 ATOM 2105 CB LEU D 28 18.183 11.722 -6.096 1.00 0.00 C0 ATOM 2106 CG LEU D 28 18.752 13.127 -6.307 1.00 0.00 C0 ATOM 2107 CD1 LEU D 28 17.679 14.029 -6.926 1.00 0.00 C0 ATOM 2108 CD2 LEU D 28 19.196 13.705 -4.957 1.00 0.00 C0 ATOM 0 H LEU D 28 18.704 10.942 -3.806 1.00 0.00 H new ATOM 0 HA LEU D 28 16.752 12.756 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU D 28 18.986 11.027 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU D 28 17.721 11.365 -7.016 1.00 0.00 H new ATOM 0 HG LEU D 28 19.609 13.075 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU D 28 18.086 15.029 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU D 28 17.367 13.617 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU D 28 16.820 14.083 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU D 28 19.602 14.706 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU D 28 18.340 13.756 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU D 28 19.962 13.064 -4.521 1.00 0.00 H new