USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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= -0.176 K(o=-0.18,f=-1.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 91:sc= 0.665 USER MOD Single : A 12 SER OG : rot -29:sc= 0.257 USER MOD Single : A 16 SER OG : rot -160:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 21 MET CE :methyl -103:sc= 0 (180deg=-0.109) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 27 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.1) USER MOD Single : B 6 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 90:sc= 0.545 USER MOD Single : B 12 SER OG : rot 180:sc= -0.0405 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 21 MET CE :methyl -101:sc=-0.00141 (180deg=-0.118) USER MOD Single : B 24 THR OG1 : rot 73:sc= 1.21 USER MOD Single : B 27 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.97) USER MOD Single : C 6 GLN : amide:sc= -0.131 K(o=-0.13,f=-1!) USER MOD Single : C 9 SER OG : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 89:sc= 0.627 USER MOD Single : C 12 SER OG : rot -30:sc= 0.317 USER MOD Single : C 16 SER OG : rot -160:sc= 0 USER MOD Single : C 19 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : C 21 MET CE :methyl -102:sc= 0 (180deg=-0.0995) USER MOD Single : C 24 THR OG1 : rot 67:sc= 1.2 USER MOD Single : C 27 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : D 6 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.1!) USER MOD Single : D 9 SER OG : rot 180:sc= -0.159 USER MOD Single : D 11 CYS SG : rot 86:sc= 0.582 USER MOD Single : D 12 SER OG : rot -29:sc= 0.386 USER MOD Single : D 16 SER OG : rot -160:sc= 0 USER MOD Single : D 19 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : D 21 MET CE :methyl -105:sc= 0 (180deg=-0.121) USER MOD Single : D 24 THR OG1 : rot 64:sc= 1.28 USER MOD Single : D 27 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-1) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 5 8.252 12.019 5.870 1.00 0.00 N0 ATOM 70 CA PHE A 5 9.586 11.540 6.219 1.00 0.00 C0 ATOM 71 C PHE A 5 10.505 11.543 4.994 1.00 0.00 C0 ATOM 72 O PHE A 5 11.709 11.316 5.107 1.00 0.00 O0 ATOM 73 CB PHE A 5 9.499 10.124 6.794 1.00 0.00 C0 ATOM 74 CG PHE A 5 9.488 9.122 5.665 1.00 0.00 C0 ATOM 75 CD1 PHE A 5 10.666 8.450 5.318 1.00 0.00 C0 ATOM 76 CD2 PHE A 5 8.303 8.866 4.966 1.00 0.00 C0 ATOM 77 CE1 PHE A 5 10.659 7.522 4.270 1.00 0.00 C0 ATOM 78 CE2 PHE A 5 8.296 7.938 3.918 1.00 0.00 C0 ATOM 79 CZ PHE A 5 9.474 7.266 3.570 1.00 0.00 C0 ATOM 0 HA PHE A 5 10.005 12.212 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 5 10.346 9.935 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.596 10.019 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.580 8.647 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.394 9.384 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.568 7.004 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.382 7.740 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.468 6.550 2.761 1.00 0.00 H new ATOM 89 N GLN A 6 9.931 11.806 3.821 1.00 0.00 N0 ATOM 90 CA GLN A 6 10.701 11.838 2.595 1.00 0.00 C0 ATOM 91 C GLN A 6 11.743 12.948 2.652 1.00 0.00 C0 ATOM 92 O GLN A 6 12.816 12.830 2.066 1.00 0.00 O0 ATOM 93 CB GLN A 6 9.772 12.070 1.403 1.00 0.00 C0 ATOM 94 CG GLN A 6 10.529 11.796 0.104 1.00 0.00 C0 ATOM 95 CD GLN A 6 10.289 10.359 -0.347 1.00 0.00 C0 ATOM 96 OE1 GLN A 6 9.169 9.856 -0.245 1.00 0.00 O0 ATOM 97 NE2 GLN A 6 11.275 9.665 -0.846 1.00 0.00 N0 ATOM 0 H GLN A 6 8.937 11.999 3.702 1.00 0.00 H new ATOM 0 HA GLN A 6 11.209 10.881 2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.902 11.417 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.402 13.095 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.201 12.489 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.595 11.966 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.202 10.083 -0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.119 8.705 -1.152 1.00 0.00 H new ATOM 106 N ILE A 7 11.417 14.029 3.357 1.00 0.00 N0 ATOM 107 CA ILE A 7 12.337 15.155 3.477 1.00 0.00 C0 ATOM 108 C ILE A 7 13.598 14.742 4.231 1.00 0.00 C0 ATOM 109 O ILE A 7 14.693 15.226 3.937 1.00 0.00 O0 ATOM 110 CB ILE A 7 11.648 16.311 4.213 1.00 0.00 C0 ATOM 111 CG1 ILE A 7 11.490 15.958 5.697 1.00 0.00 C0 ATOM 112 CG2 ILE A 7 10.266 16.561 3.601 1.00 0.00 C0 ATOM 113 CD1 ILE A 7 10.653 17.026 6.400 1.00 0.00 C0 ATOM 0 H ILE A 7 10.531 14.148 3.849 1.00 0.00 H new ATOM 0 HA ILE A 7 12.622 15.479 2.476 1.00 0.00 H new ATOM 0 HB ILE A 7 12.257 17.210 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.012 14.984 5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.470 15.883 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.779 17.383 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.376 16.818 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.659 15.661 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.545 16.768 7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.148 17.993 6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.668 17.079 5.937 1.00 0.00 H new ATOM 125 N LEU A 8 13.438 13.849 5.208 1.00 0.00 N0 ATOM 126 CA LEU A 8 14.563 13.385 5.999 1.00 0.00 C0 ATOM 127 C LEU A 8 15.415 12.407 5.204 1.00 0.00 C0 ATOM 128 O LEU A 8 16.635 12.354 5.365 1.00 0.00 O0 ATOM 129 CB LEU A 8 14.054 12.709 7.278 1.00 0.00 C0 ATOM 130 CG LEU A 8 15.232 12.434 8.212 1.00 0.00 C0 ATOM 131 CD1 LEU A 8 15.731 13.750 8.813 1.00 0.00 C0 ATOM 132 CD2 LEU A 8 14.784 11.497 9.335 1.00 0.00 C0 ATOM 0 H LEU A 8 12.541 13.437 5.465 1.00 0.00 H new ATOM 0 HA LEU A 8 15.179 14.245 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.324 13.348 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.546 11.777 7.032 1.00 0.00 H new ATOM 0 HG LEU A 8 16.039 11.967 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.571 13.551 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.052 14.417 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.926 14.221 9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.624 11.300 10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.976 11.964 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.433 10.558 8.907 1.00 0.00 H new ATOM 144 N SER A 9 14.759 11.636 4.341 1.00 0.00 N0 ATOM 145 CA SER A 9 15.465 10.662 3.513 1.00 0.00 C0 ATOM 146 C SER A 9 16.242 11.358 2.401 1.00 0.00 C0 ATOM 147 O SER A 9 17.397 11.026 2.137 1.00 0.00 O0 ATOM 148 CB SER A 9 14.474 9.669 2.911 1.00 0.00 C0 ATOM 149 OG SER A 9 15.183 8.713 2.134 1.00 0.00 O0 ATOM 0 H SER A 9 13.750 11.665 4.197 1.00 0.00 H new ATOM 0 HA SER A 9 16.172 10.125 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.915 9.170 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.748 10.193 2.290 1.00 0.00 H new ATOM 0 HG SER A 9 14.551 8.072 1.747 1.00 0.00 H new ATOM 155 N ILE A 10 15.599 12.325 1.757 1.00 0.00 N0 ATOM 156 CA ILE A 10 16.233 13.068 0.678 1.00 0.00 C0 ATOM 157 C ILE A 10 17.413 13.871 1.202 1.00 0.00 C0 ATOM 158 O ILE A 10 18.464 13.925 0.565 1.00 0.00 O0 ATOM 159 CB ILE A 10 15.224 14.011 0.020 1.00 0.00 C0 ATOM 160 CG1 ILE A 10 14.218 13.189 -0.801 1.00 0.00 C0 ATOM 161 CG2 ILE A 10 15.960 14.991 -0.905 1.00 0.00 C0 ATOM 162 CD1 ILE A 10 14.845 12.780 -2.143 1.00 0.00 C0 ATOM 0 H ILE A 10 14.642 12.611 1.963 1.00 0.00 H new ATOM 0 HA ILE A 10 16.593 12.353 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 10 14.695 14.571 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.921 12.301 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.315 13.773 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.239 15.662 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.674 15.574 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.491 14.434 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.125 12.198 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.120 13.674 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.735 12.178 -1.960 1.00 0.00 H new ATOM 174 N CYS A 11 17.233 14.499 2.363 1.00 0.00 N0 ATOM 175 CA CYS A 11 18.301 15.295 2.954 1.00 0.00 C0 ATOM 176 C CYS A 11 19.492 14.419 3.322 1.00 0.00 C0 ATOM 177 O CYS A 11 20.629 14.717 2.950 1.00 0.00 O0 ATOM 178 CB CYS A 11 17.781 16.002 4.205 1.00 0.00 C0 ATOM 179 SG CYS A 11 16.665 17.341 3.717 1.00 0.00 S0 ATOM 0 H CYS A 11 16.369 14.472 2.905 1.00 0.00 H new ATOM 0 HA CYS A 11 18.627 16.033 2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.258 15.293 4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.614 16.401 4.784 1.00 0.00 H new ATOM 0 HG CYS A 11 15.446 16.893 3.665 1.00 0.00 H new ATOM 185 N SER A 12 19.230 13.339 4.055 1.00 0.00 N0 ATOM 186 CA SER A 12 20.296 12.437 4.469 1.00 0.00 C0 ATOM 187 C SER A 12 21.020 11.884 3.250 1.00 0.00 C0 ATOM 188 O SER A 12 22.239 11.753 3.253 1.00 0.00 O0 ATOM 189 CB SER A 12 19.711 11.283 5.285 1.00 0.00 C0 ATOM 190 OG SER A 12 18.815 10.544 4.466 1.00 0.00 O0 ATOM 0 H SER A 12 18.298 13.071 4.371 1.00 0.00 H new ATOM 0 HA SER A 12 21.006 12.991 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.510 10.636 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.189 11.668 6.161 1.00 0.00 H new ATOM 0 HG SER A 12 18.418 11.139 3.796 1.00 0.00 H new ATOM 196 N PHE A 13 20.261 11.564 2.207 1.00 0.00 N0 ATOM 197 CA PHE A 13 20.846 11.028 0.985 1.00 0.00 C0 ATOM 198 C PHE A 13 21.823 12.030 0.377 1.00 0.00 C0 ATOM 199 O PHE A 13 22.930 11.667 -0.028 1.00 0.00 O0 ATOM 200 CB PHE A 13 19.741 10.718 -0.026 1.00 0.00 C0 ATOM 201 CG PHE A 13 20.336 10.024 -1.228 1.00 0.00 C0 ATOM 202 CD1 PHE A 13 20.344 8.625 -1.297 1.00 0.00 C0 ATOM 203 CD2 PHE A 13 20.884 10.779 -2.273 1.00 0.00 C0 ATOM 204 CE1 PHE A 13 20.899 7.982 -2.409 1.00 0.00 C0 ATOM 205 CE2 PHE A 13 21.439 10.134 -3.386 1.00 0.00 C0 ATOM 206 CZ PHE A 13 21.446 8.736 -3.455 1.00 0.00 C0 ATOM 0 H PHE A 13 19.246 11.666 2.184 1.00 0.00 H new ATOM 0 HA PHE A 13 21.385 10.113 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 13 18.981 10.085 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 13 19.246 11.639 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 13 19.922 8.042 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 13 20.879 11.858 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 13 20.906 6.903 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 13 21.862 10.716 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 13 21.873 8.239 -4.314 1.00 0.00 H new ATOM 216 N ILE A 14 21.409 13.292 0.316 1.00 0.00 N0 ATOM 217 CA ILE A 14 22.260 14.336 -0.244 1.00 0.00 C0 ATOM 218 C ILE A 14 23.530 14.500 0.586 1.00 0.00 C0 ATOM 219 O ILE A 14 24.636 14.549 0.047 1.00 0.00 O0 ATOM 220 CB ILE A 14 21.496 15.664 -0.281 1.00 0.00 C0 ATOM 221 CG1 ILE A 14 20.365 15.570 -1.309 1.00 0.00 C0 ATOM 222 CG2 ILE A 14 22.449 16.795 -0.680 1.00 0.00 C0 ATOM 223 CD1 ILE A 14 19.421 16.762 -1.140 1.00 0.00 C0 ATOM 0 H ILE A 14 20.499 13.614 0.644 1.00 0.00 H new ATOM 0 HA ILE A 14 22.540 14.046 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 14 21.081 15.870 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.777 15.559 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.817 14.637 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.904 17.738 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.258 16.863 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.865 16.589 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.616 16.695 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.999 16.753 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 14 19.974 17.689 -1.293 1.00 0.00 H new ATOM 235 N LEU A 15 23.365 14.591 1.901 1.00 0.00 N0 ATOM 236 CA LEU A 15 24.503 14.759 2.793 1.00 0.00 C0 ATOM 237 C LEU A 15 25.405 13.529 2.752 1.00 0.00 C0 ATOM 238 O LEU A 15 26.603 13.617 3.007 1.00 0.00 O0 ATOM 239 CB LEU A 15 24.011 14.986 4.226 1.00 0.00 C0 ATOM 240 CG LEU A 15 23.345 16.360 4.329 1.00 0.00 C0 ATOM 241 CD1 LEU A 15 22.590 16.462 5.656 1.00 0.00 C0 ATOM 242 CD2 LEU A 15 24.417 17.456 4.265 1.00 0.00 C0 ATOM 0 H LEU A 15 22.460 14.551 2.369 1.00 0.00 H new ATOM 0 HA LEU A 15 25.076 15.625 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.303 14.206 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.847 14.923 4.923 1.00 0.00 H new ATOM 0 HG LEU A 15 22.647 16.487 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 15 22.115 17.440 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.828 15.684 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.289 16.334 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.942 18.434 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.117 17.329 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.955 17.384 3.320 1.00 0.00 H new ATOM 254 N SER A 16 24.818 12.386 2.421 1.00 0.00 N0 ATOM 255 CA SER A 16 25.576 11.144 2.339 1.00 0.00 C0 ATOM 256 C SER A 16 26.512 11.146 1.133 1.00 0.00 C0 ATOM 257 O SER A 16 27.688 10.767 1.235 1.00 0.00 O0 ATOM 258 CB SER A 16 24.617 9.955 2.245 1.00 0.00 C0 ATOM 259 OG SER A 16 25.368 8.757 2.110 1.00 0.00 O0 ATOM 0 H SER A 16 23.825 12.293 2.206 1.00 0.00 H new ATOM 0 HA SER A 16 26.181 11.057 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.990 9.907 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.950 10.078 1.392 1.00 0.00 H new ATOM 0 HG SER A 16 24.797 8.053 1.738 1.00 0.00 H new ATOM 265 N ALA A 17 25.986 11.585 -0.007 1.00 0.00 N0 ATOM 266 CA ALA A 17 26.777 11.640 -1.230 1.00 0.00 C0 ATOM 267 C ALA A 17 27.835 12.737 -1.144 1.00 0.00 C0 ATOM 268 O ALA A 17 28.917 12.629 -1.730 1.00 0.00 O0 ATOM 269 CB ALA A 17 25.863 11.898 -2.432 1.00 0.00 C0 ATOM 0 H ALA A 17 25.023 11.905 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 17 27.281 10.681 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.461 11.938 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.132 11.093 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.344 12.847 -2.297 1.00 0.00 H new ATOM 275 N LEU A 18 27.523 13.790 -0.400 1.00 0.00 N0 ATOM 276 CA LEU A 18 28.457 14.897 -0.237 1.00 0.00 C0 ATOM 277 C LEU A 18 29.556 14.547 0.761 1.00 0.00 C0 ATOM 278 O LEU A 18 30.700 14.996 0.618 1.00 0.00 O0 ATOM 279 CB LEU A 18 27.704 16.146 0.231 1.00 0.00 C0 ATOM 280 CG LEU A 18 27.426 17.056 -0.967 1.00 0.00 C0 ATOM 281 CD1 LEU A 18 26.411 16.386 -1.896 1.00 0.00 C0 ATOM 282 CD2 LEU A 18 26.860 18.388 -0.472 1.00 0.00 C0 ATOM 0 H LEU A 18 26.639 13.901 0.096 1.00 0.00 H new ATOM 0 HA LEU A 18 28.925 15.094 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.767 15.860 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 18 28.293 16.680 0.977 1.00 0.00 H new ATOM 0 HG LEU A 18 28.354 17.232 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 18 26.214 17.036 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 18 26.812 15.436 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 18 25.483 16.209 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 18 26.661 19.038 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 18 25.933 18.209 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.582 18.867 0.189 1.00 0.00 H new ATOM 294 N HIS A 19 29.207 13.739 1.762 1.00 0.00 N0 ATOM 295 CA HIS A 19 30.169 13.328 2.774 1.00 0.00 C0 ATOM 296 C HIS A 19 31.236 12.435 2.159 1.00 0.00 C0 ATOM 297 O HIS A 19 32.435 12.642 2.370 1.00 0.00 O0 ATOM 298 CB HIS A 19 29.452 12.594 3.908 1.00 0.00 C0 ATOM 299 CG HIS A 19 30.444 12.249 4.983 1.00 0.00 C0 ATOM 300 ND1 HIS A 19 31.081 13.218 5.742 1.00 0.00 N0 ATOM 301 CD2 HIS A 19 30.918 11.044 5.437 1.00 0.00 C0 ATOM 302 CE1 HIS A 19 31.895 12.586 6.606 1.00 0.00 C0 ATOM 303 NE2 HIS A 19 31.834 11.260 6.463 1.00 0.00 N0 ATOM 0 H HIS A 19 28.269 13.360 1.890 1.00 0.00 H new ATOM 0 HA HIS A 19 30.654 14.216 3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 19 28.659 13.220 4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 19 28.980 11.688 3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 19 30.625 10.076 5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.521 13.090 7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.348 10.556 6.992 1.00 0.00 H new ATOM 311 N PHE A 20 30.791 11.451 1.379 1.00 0.00 N0 ATOM 312 CA PHE A 20 31.718 10.537 0.725 1.00 0.00 C0 ATOM 313 C PHE A 20 32.469 11.261 -0.384 1.00 0.00 C0 ATOM 314 O PHE A 20 33.599 10.902 -0.711 1.00 0.00 O0 ATOM 315 CB PHE A 20 30.966 9.338 0.155 1.00 0.00 C0 ATOM 316 CG PHE A 20 31.201 8.131 1.033 1.00 0.00 C0 ATOM 317 CD1 PHE A 20 30.528 8.010 2.255 1.00 0.00 C0 ATOM 318 CD2 PHE A 20 32.093 7.133 0.624 1.00 0.00 C0 ATOM 319 CE1 PHE A 20 30.750 6.891 3.068 1.00 0.00 C0 ATOM 320 CE2 PHE A 20 32.314 6.014 1.435 1.00 0.00 C0 ATOM 321 CZ PHE A 20 31.642 5.892 2.659 1.00 0.00 C0 ATOM 0 H PHE A 20 29.806 11.270 1.188 1.00 0.00 H new ATOM 0 HA PHE A 20 32.436 10.179 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.900 9.558 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 20 31.304 9.133 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 20 29.838 8.779 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 20 32.611 7.227 -0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.233 6.799 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.002 5.245 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.812 5.029 3.286 1.00 0.00 H new ATOM 331 N MET A 21 31.837 12.285 -0.957 1.00 0.00 N0 ATOM 332 CA MET A 21 32.470 13.053 -2.024 1.00 0.00 C0 ATOM 333 C MET A 21 33.751 13.725 -1.517 1.00 0.00 C0 ATOM 334 O MET A 21 34.842 13.528 -2.074 1.00 0.00 O0 ATOM 335 CB MET A 21 31.496 14.121 -2.528 1.00 0.00 C0 ATOM 336 CG MET A 21 30.709 13.567 -3.719 1.00 0.00 C0 ATOM 337 SD MET A 21 31.740 13.623 -5.205 1.00 0.00 S0 ATOM 338 CE MET A 21 31.443 15.359 -5.622 1.00 0.00 C0 ATOM 0 H MET A 21 30.900 12.598 -0.703 1.00 0.00 H new ATOM 0 HA MET A 21 32.730 12.376 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 21 30.813 14.412 -1.730 1.00 0.00 H new ATOM 0 HB3 MET A 21 32.042 15.017 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 21 30.399 12.542 -3.518 1.00 0.00 H new ATOM 0 HG3 MET A 21 29.801 14.151 -3.871 1.00 0.00 H new ATOM 0 HE1 MET A 21 30.733 15.419 -6.447 1.00 0.00 H new ATOM 0 HE2 MET A 21 31.035 15.877 -4.754 1.00 0.00 H new ATOM 0 HE3 MET A 21 32.382 15.828 -5.916 1.00 0.00 H new ATOM 348 N ALA A 22 33.613 14.509 -0.448 1.00 0.00 N0 ATOM 349 CA ALA A 22 34.762 15.194 0.128 1.00 0.00 C0 ATOM 350 C ALA A 22 35.777 14.181 0.644 1.00 0.00 C0 ATOM 351 O ALA A 22 36.983 14.361 0.483 1.00 0.00 O0 ATOM 352 CB ALA A 22 34.313 16.103 1.269 1.00 0.00 C0 ATOM 0 H ALA A 22 32.728 14.682 0.029 1.00 0.00 H new ATOM 0 HA ALA A 22 35.230 15.800 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 35.180 16.610 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.609 16.843 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.829 15.505 2.041 1.00 0.00 H new ATOM 358 N TRP A 23 35.281 13.111 1.259 1.00 0.00 N0 ATOM 359 CA TRP A 23 36.161 12.075 1.789 1.00 0.00 C0 ATOM 360 C TRP A 23 37.032 11.496 0.678 1.00 0.00 C0 ATOM 361 O TRP A 23 38.246 11.372 0.835 1.00 0.00 O0 ATOM 362 CB TRP A 23 35.325 10.961 2.423 1.00 0.00 C0 ATOM 363 CG TRP A 23 35.624 10.885 3.885 1.00 0.00 C0 ATOM 364 CD1 TRP A 23 35.075 11.672 4.838 1.00 0.00 C0 ATOM 365 CD2 TRP A 23 36.535 9.978 4.576 1.00 0.00 C0 ATOM 366 NE1 TRP A 23 35.592 11.309 6.069 1.00 0.00 N0 ATOM 367 CE2 TRP A 23 36.496 10.271 5.960 1.00 0.00 C0 ATOM 368 CE3 TRP A 23 37.384 8.943 4.141 1.00 0.00 C0 ATOM 369 CZ2 TRP A 23 37.270 9.561 6.879 1.00 0.00 C0 ATOM 370 CZ3 TRP A 23 38.165 8.225 5.063 1.00 0.00 C0 ATOM 371 CH2 TRP A 23 38.107 8.535 6.430 1.00 0.00 C0 ATOM 0 H TRP A 23 34.286 12.940 1.402 1.00 0.00 H new ATOM 0 HA TRP A 23 36.808 12.519 2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 23 34.264 11.155 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 23 35.548 10.007 1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 23 34.352 12.455 4.666 1.00 0.00 H new ATOM 0 HE1 TRP A 23 35.336 11.754 6.950 1.00 0.00 H new ATOM 0 HE3 TRP A 23 37.436 8.699 3.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 37.223 9.803 7.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 38.812 7.432 4.718 1.00 0.00 H new ATOM 0 HH2 TRP A 23 38.709 7.981 7.135 1.00 0.00 H new ATOM 382 N THR A 24 36.402 11.142 -0.438 1.00 0.00 N0 ATOM 383 CA THR A 24 37.128 10.572 -1.563 1.00 0.00 C0 ATOM 384 C THR A 24 38.254 11.504 -1.987 1.00 0.00 C0 ATOM 385 O THR A 24 39.384 11.071 -2.203 1.00 0.00 O0 ATOM 386 CB THR A 24 36.176 10.362 -2.742 1.00 0.00 C0 ATOM 387 OG1 THR A 24 35.142 9.466 -2.363 1.00 0.00 O0 ATOM 388 CG2 THR A 24 36.947 9.783 -3.929 1.00 0.00 C0 ATOM 0 H THR A 24 35.397 11.240 -0.585 1.00 0.00 H new ATOM 0 HA THR A 24 37.549 9.614 -1.258 1.00 0.00 H new ATOM 0 HB THR A 24 35.739 11.319 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 24 34.422 9.965 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 24 36.266 9.634 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 24 37.738 10.474 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 24 37.387 8.827 -3.645 1.00 0.00 H new ATOM 396 N ILE A 25 37.945 12.789 -2.090 1.00 0.00 N0 ATOM 397 CA ILE A 25 38.958 13.773 -2.478 1.00 0.00 C0 ATOM 398 C ILE A 25 40.063 13.868 -1.424 1.00 0.00 C0 ATOM 399 O ILE A 25 41.244 13.987 -1.750 1.00 0.00 O0 ATOM 400 CB ILE A 25 38.309 15.143 -2.665 1.00 0.00 C0 ATOM 401 CG1 ILE A 25 37.424 15.116 -3.913 1.00 0.00 C0 ATOM 402 CG2 ILE A 25 39.394 16.208 -2.829 1.00 0.00 C0 ATOM 403 CD1 ILE A 25 36.540 16.365 -3.939 1.00 0.00 C0 ATOM 0 H ILE A 25 37.017 13.175 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 25 39.404 13.448 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 25 37.702 15.381 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.043 15.077 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.805 14.219 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 25 38.928 17.184 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.024 16.225 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.004 15.975 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.909 16.346 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.912 16.385 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.169 17.255 -3.959 1.00 0.00 H new ATOM 415 N GLY A 26 39.665 13.821 -0.163 1.00 0.00 N0 ATOM 416 CA GLY A 26 40.627 13.911 0.935 1.00 0.00 C0 ATOM 417 C GLY A 26 41.639 12.772 0.868 1.00 0.00 C0 ATOM 418 O GLY A 26 42.844 12.992 0.986 1.00 0.00 O0 ATOM 0 H GLY A 26 38.693 13.722 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 26 41.147 14.868 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.100 13.879 1.889 1.00 0.00 H new ATOM 422 N HIS A 27 41.138 11.556 0.685 1.00 0.00 N0 ATOM 423 CA HIS A 27 42.003 10.385 0.606 1.00 0.00 C0 ATOM 424 C HIS A 27 42.925 10.483 -0.606 1.00 0.00 C0 ATOM 425 O HIS A 27 44.095 10.101 -0.543 1.00 0.00 O0 ATOM 426 CB HIS A 27 41.162 9.113 0.515 1.00 0.00 C0 ATOM 427 CG HIS A 27 42.033 7.918 0.782 1.00 0.00 C0 ATOM 428 ND1 HIS A 27 42.930 7.429 -0.157 1.00 0.00 N0 ATOM 429 CD2 HIS A 27 42.154 7.097 1.877 1.00 0.00 C0 ATOM 430 CE1 HIS A 27 43.546 6.363 0.387 1.00 0.00 C0 ATOM 431 NE2 HIS A 27 43.110 6.117 1.625 1.00 0.00 N0 ATOM 0 H HIS A 27 40.143 11.356 0.589 1.00 0.00 H new ATOM 0 HA HIS A 27 42.612 10.346 1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 27 40.346 9.151 1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 27 40.709 9.033 -0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 27 41.593 7.197 2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 27 44.301 5.778 -0.117 1.00 0.00 H new ATOM 0 HE2 HIS A 27 43.413 5.371 2.252 1.00 0.00 H new ATOM 439 N LEU A 28 42.393 11.001 -1.707 1.00 0.00 N0 ATOM 440 CA LEU A 28 43.180 11.153 -2.925 1.00 0.00 C0 ATOM 441 C LEU A 28 44.280 12.184 -2.738 1.00 0.00 C0 ATOM 442 O LEU A 28 45.385 12.016 -3.252 1.00 0.00 O0 ATOM 443 CB LEU A 28 42.271 11.570 -4.085 1.00 0.00 C0 ATOM 444 CG LEU A 28 41.880 10.336 -4.909 1.00 0.00 C0 ATOM 445 CD1 LEU A 28 43.086 9.875 -5.731 1.00 0.00 C0 ATOM 446 CD2 LEU A 28 41.422 9.202 -3.971 1.00 0.00 C0 ATOM 0 H LEU A 28 41.427 11.321 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 28 43.644 10.193 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 41.377 12.060 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 42.783 12.294 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 28 41.059 10.592 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 28 42.813 8.998 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 28 43.398 10.677 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.907 9.621 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.146 8.329 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.235 8.939 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 40.561 9.535 -3.392 1.00 0.00 H new ATOM 643 N GLN B 6 11.221 1.659 6.470 1.00 0.00 N0 ATOM 644 CA GLN B 6 12.171 0.562 6.489 1.00 0.00 C0 ATOM 645 C GLN B 6 13.288 0.814 5.484 1.00 0.00 C0 ATOM 646 O GLN B 6 14.424 0.394 5.695 1.00 0.00 O0 ATOM 647 CB GLN B 6 11.459 -0.747 6.145 1.00 0.00 C0 ATOM 648 CG GLN B 6 12.376 -1.926 6.467 1.00 0.00 C0 ATOM 649 CD GLN B 6 12.076 -2.453 7.867 1.00 0.00 C0 ATOM 650 OE1 GLN B 6 10.915 -2.535 8.264 1.00 0.00 O0 ATOM 651 NE2 GLN B 6 13.061 -2.820 8.643 1.00 0.00 N0 ATOM 0 HA GLN B 6 12.602 0.489 7.488 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.532 -0.829 6.712 1.00 0.00 H new ATOM 0 HB3 GLN B 6 11.189 -0.760 5.089 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.234 -2.719 5.733 1.00 0.00 H new ATOM 0 HG3 GLN B 6 13.419 -1.615 6.402 1.00 0.00 H new ATOM 0 HE21 GLN B 6 14.023 -2.751 8.312 1.00 0.00 H new ATOM 0 HE22 GLN B 6 12.867 -3.175 9.579 1.00 0.00 H new ATOM 660 N ILE B 7 12.958 1.493 4.389 1.00 0.00 N0 ATOM 661 CA ILE B 7 13.948 1.785 3.359 1.00 0.00 C0 ATOM 662 C ILE B 7 15.036 2.707 3.902 1.00 0.00 C0 ATOM 663 O ILE B 7 16.204 2.595 3.518 1.00 0.00 O0 ATOM 664 CB ILE B 7 13.264 2.447 2.155 1.00 0.00 C0 ATOM 665 CG1 ILE B 7 12.845 3.877 2.520 1.00 0.00 C0 ATOM 666 CG2 ILE B 7 12.021 1.642 1.762 1.00 0.00 C0 ATOM 667 CD1 ILE B 7 12.016 4.483 1.390 1.00 0.00 C0 ATOM 0 H ILE B 7 12.022 1.848 4.194 1.00 0.00 H new ATOM 0 HA ILE B 7 14.410 0.848 3.047 1.00 0.00 H new ATOM 0 HB ILE B 7 13.962 2.474 1.318 1.00 0.00 H new ATOM 0 HG12 ILE B 7 12.266 3.871 3.444 1.00 0.00 H new ATOM 0 HG13 ILE B 7 13.729 4.488 2.702 1.00 0.00 H new ATOM 0 HG21 ILE B 7 11.537 2.114 0.907 1.00 0.00 H new ATOM 0 HG22 ILE B 7 12.314 0.626 1.498 1.00 0.00 H new ATOM 0 HG23 ILE B 7 11.326 1.613 2.601 1.00 0.00 H new ATOM 0 HD11 ILE B 7 11.723 5.498 1.658 1.00 0.00 H new ATOM 0 HD12 ILE B 7 12.609 4.506 0.476 1.00 0.00 H new ATOM 0 HD13 ILE B 7 11.124 3.878 1.229 1.00 0.00 H new ATOM 679 N LEU B 8 14.650 3.620 4.794 1.00 0.00 N0 ATOM 680 CA LEU B 8 15.595 4.554 5.376 1.00 0.00 C0 ATOM 681 C LEU B 8 16.466 3.864 6.415 1.00 0.00 C0 ATOM 682 O LEU B 8 17.637 4.203 6.586 1.00 0.00 O0 ATOM 683 CB LEU B 8 14.839 5.720 6.023 1.00 0.00 C0 ATOM 684 CG LEU B 8 15.832 6.810 6.426 1.00 0.00 C0 ATOM 685 CD1 LEU B 8 16.351 7.522 5.175 1.00 0.00 C0 ATOM 686 CD2 LEU B 8 15.137 7.821 7.338 1.00 0.00 C0 ATOM 0 H LEU B 8 13.691 3.727 5.124 1.00 0.00 H new ATOM 0 HA LEU B 8 16.240 4.933 4.583 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.104 6.122 5.326 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.291 5.371 6.898 1.00 0.00 H new ATOM 0 HG LEU B 8 16.670 6.357 6.957 1.00 0.00 H new ATOM 0 HD11 LEU B 8 17.059 8.298 5.465 1.00 0.00 H new ATOM 0 HD12 LEU B 8 16.849 6.801 4.526 1.00 0.00 H new ATOM 0 HD13 LEU B 8 15.515 7.974 4.641 1.00 0.00 H new ATOM 0 HD21 LEU B 8 15.845 8.598 7.626 1.00 0.00 H new ATOM 0 HD22 LEU B 8 14.298 8.272 6.808 1.00 0.00 H new ATOM 0 HD23 LEU B 8 14.772 7.314 8.231 1.00 0.00 H new ATOM 698 N SER B 9 15.883 2.888 7.107 1.00 0.00 N0 ATOM 699 CA SER B 9 16.613 2.146 8.128 1.00 0.00 C0 ATOM 700 C SER B 9 17.612 1.188 7.488 1.00 0.00 C0 ATOM 701 O SER B 9 18.758 1.088 7.924 1.00 0.00 O0 ATOM 702 CB SER B 9 15.639 1.372 9.011 1.00 0.00 C0 ATOM 703 OG SER B 9 16.368 0.673 10.012 1.00 0.00 O0 ATOM 0 H SER B 9 14.914 2.595 6.980 1.00 0.00 H new ATOM 0 HA SER B 9 17.163 2.858 8.743 1.00 0.00 H new ATOM 0 HB2 SER B 9 14.927 2.056 9.474 1.00 0.00 H new ATOM 0 HB3 SER B 9 15.062 0.671 8.408 1.00 0.00 H new ATOM 0 HG SER B 9 15.746 0.176 10.583 1.00 0.00 H new ATOM 709 N ILE B 10 17.163 0.486 6.453 1.00 0.00 N0 ATOM 710 CA ILE B 10 18.019 -0.461 5.754 1.00 0.00 C0 ATOM 711 C ILE B 10 19.175 0.260 5.076 1.00 0.00 C0 ATOM 712 O ILE B 10 20.313 -0.211 5.109 1.00 0.00 O0 ATOM 713 CB ILE B 10 17.212 -1.234 4.708 1.00 0.00 C0 ATOM 714 CG1 ILE B 10 16.272 -2.218 5.415 1.00 0.00 C0 ATOM 715 CG2 ILE B 10 18.168 -2.007 3.787 1.00 0.00 C0 ATOM 716 CD1 ILE B 10 17.053 -3.464 5.863 1.00 0.00 C0 ATOM 0 H ILE B 10 16.215 0.555 6.082 1.00 0.00 H new ATOM 0 HA ILE B 10 18.421 -1.161 6.487 1.00 0.00 H new ATOM 0 HB ILE B 10 16.625 -0.535 4.112 1.00 0.00 H new ATOM 0 HG12 ILE B 10 15.812 -1.737 6.278 1.00 0.00 H new ATOM 0 HG13 ILE B 10 15.464 -2.508 4.743 1.00 0.00 H new ATOM 0 HG21 ILE B 10 17.591 -2.557 3.043 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.835 -1.306 3.284 1.00 0.00 H new ATOM 0 HG23 ILE B 10 18.757 -2.707 4.379 1.00 0.00 H new ATOM 0 HD11 ILE B 10 16.377 -4.157 6.364 1.00 0.00 H new ATOM 0 HD12 ILE B 10 17.492 -3.951 4.992 1.00 0.00 H new ATOM 0 HD13 ILE B 10 17.845 -3.169 6.551 1.00 0.00 H new ATOM 728 N CYS B 11 18.877 1.401 4.458 1.00 0.00 N0 ATOM 729 CA CYS B 11 19.909 2.171 3.777 1.00 0.00 C0 ATOM 730 C CYS B 11 20.948 2.684 4.767 1.00 0.00 C0 ATOM 731 O CYS B 11 22.150 2.495 4.571 1.00 0.00 O0 ATOM 732 CB CYS B 11 19.271 3.352 3.049 1.00 0.00 C0 ATOM 733 SG CYS B 11 18.374 2.751 1.597 1.00 0.00 S0 ATOM 0 H CYS B 11 17.942 1.806 4.416 1.00 0.00 H new ATOM 0 HA CYS B 11 20.407 1.519 3.059 1.00 0.00 H new ATOM 0 HB2 CYS B 11 18.591 3.881 3.717 1.00 0.00 H new ATOM 0 HB3 CYS B 11 20.039 4.064 2.747 1.00 0.00 H new ATOM 0 HG CYS B 11 17.146 2.480 1.927 1.00 0.00 H new ATOM 739 N SER B 12 20.481 3.337 5.831 1.00 0.00 N0 ATOM 740 CA SER B 12 21.387 3.875 6.836 1.00 0.00 C0 ATOM 741 C SER B 12 22.231 2.759 7.432 1.00 0.00 C0 ATOM 742 O SER B 12 23.420 2.938 7.676 1.00 0.00 O0 ATOM 743 CB SER B 12 20.584 4.556 7.944 1.00 0.00 C0 ATOM 744 OG SER B 12 19.764 3.590 8.588 1.00 0.00 O0 ATOM 0 H SER B 12 19.492 3.503 6.015 1.00 0.00 H new ATOM 0 HA SER B 12 22.044 4.605 6.363 1.00 0.00 H new ATOM 0 HB2 SER B 12 21.257 5.018 8.666 1.00 0.00 H new ATOM 0 HB3 SER B 12 19.968 5.353 7.526 1.00 0.00 H new ATOM 0 HG SER B 12 19.248 4.022 9.300 1.00 0.00 H new ATOM 750 N PHE B 13 21.612 1.607 7.663 1.00 0.00 N0 ATOM 751 CA PHE B 13 22.324 0.469 8.230 1.00 0.00 C0 ATOM 752 C PHE B 13 23.471 0.047 7.315 1.00 0.00 C0 ATOM 753 O PHE B 13 24.588 -0.199 7.773 1.00 0.00 O0 ATOM 754 CB PHE B 13 21.362 -0.705 8.417 1.00 0.00 C0 ATOM 755 CG PHE B 13 22.067 -1.827 9.141 1.00 0.00 C0 ATOM 756 CD1 PHE B 13 21.958 -1.939 10.534 1.00 0.00 C0 ATOM 757 CD2 PHE B 13 22.832 -2.753 8.422 1.00 0.00 C0 ATOM 758 CE1 PHE B 13 22.614 -2.978 11.205 1.00 0.00 C0 ATOM 759 CE2 PHE B 13 23.488 -3.792 9.095 1.00 0.00 C0 ATOM 760 CZ PHE B 13 23.379 -3.905 10.486 1.00 0.00 C0 ATOM 0 H PHE B 13 20.625 1.437 7.468 1.00 0.00 H new ATOM 0 HA PHE B 13 22.733 0.763 9.197 1.00 0.00 H new ATOM 0 HB2 PHE B 13 20.488 -0.385 8.984 1.00 0.00 H new ATOM 0 HB3 PHE B 13 21.004 -1.052 7.448 1.00 0.00 H new ATOM 0 HD1 PHE B 13 21.368 -1.224 11.089 1.00 0.00 H new ATOM 0 HD2 PHE B 13 22.916 -2.666 7.349 1.00 0.00 H new ATOM 0 HE1 PHE B 13 22.530 -3.065 12.278 1.00 0.00 H new ATOM 0 HE2 PHE B 13 24.078 -4.506 8.540 1.00 0.00 H new ATOM 0 HZ PHE B 13 23.884 -4.706 11.004 1.00 0.00 H new ATOM 770 N ILE B 14 23.186 -0.038 6.019 1.00 0.00 N0 ATOM 771 CA ILE B 14 24.202 -0.431 5.049 1.00 0.00 C0 ATOM 772 C ILE B 14 25.342 0.584 5.022 1.00 0.00 C0 ATOM 773 O ILE B 14 26.517 0.217 5.065 1.00 0.00 O0 ATOM 774 CB ILE B 14 23.577 -0.539 3.656 1.00 0.00 C0 ATOM 775 CG1 ILE B 14 22.613 -1.729 3.621 1.00 0.00 C0 ATOM 776 CG2 ILE B 14 24.678 -0.751 2.611 1.00 0.00 C0 ATOM 777 CD1 ILE B 14 21.768 -1.664 2.348 1.00 0.00 C0 ATOM 0 H ILE B 14 22.268 0.158 5.619 1.00 0.00 H new ATOM 0 HA ILE B 14 24.604 -1.400 5.344 1.00 0.00 H new ATOM 0 HB ILE B 14 23.036 0.380 3.432 1.00 0.00 H new ATOM 0 HG12 ILE B 14 23.172 -2.664 3.652 1.00 0.00 H new ATOM 0 HG13 ILE B 14 21.968 -1.714 4.500 1.00 0.00 H new ATOM 0 HG21 ILE B 14 24.230 -0.827 1.620 1.00 0.00 H new ATOM 0 HG22 ILE B 14 25.368 0.093 2.633 1.00 0.00 H new ATOM 0 HG23 ILE B 14 25.221 -1.669 2.835 1.00 0.00 H new ATOM 0 HD11 ILE B 14 21.082 -2.511 2.323 1.00 0.00 H new ATOM 0 HD12 ILE B 14 21.198 -0.735 2.337 1.00 0.00 H new ATOM 0 HD13 ILE B 14 22.421 -1.700 1.476 1.00 0.00 H new ATOM 789 N LEU B 15 24.988 1.861 4.942 1.00 0.00 N0 ATOM 790 CA LEU B 15 25.987 2.920 4.899 1.00 0.00 C0 ATOM 791 C LEU B 15 26.770 2.972 6.208 1.00 0.00 C0 ATOM 792 O LEU B 15 27.920 3.406 6.237 1.00 0.00 O0 ATOM 793 CB LEU B 15 25.306 4.269 4.653 1.00 0.00 C0 ATOM 794 CG LEU B 15 24.759 4.314 3.223 1.00 0.00 C0 ATOM 795 CD1 LEU B 15 23.822 5.512 3.074 1.00 0.00 C0 ATOM 796 CD2 LEU B 15 25.925 4.450 2.234 1.00 0.00 C0 ATOM 0 H LEU B 15 24.022 2.187 4.906 1.00 0.00 H new ATOM 0 HA LEU B 15 26.680 2.709 4.084 1.00 0.00 H new ATOM 0 HB2 LEU B 15 24.496 4.415 5.368 1.00 0.00 H new ATOM 0 HB3 LEU B 15 26.017 5.081 4.807 1.00 0.00 H new ATOM 0 HG LEU B 15 24.210 3.396 3.014 1.00 0.00 H new ATOM 0 HD11 LEU B 15 23.432 5.545 2.057 1.00 0.00 H new ATOM 0 HD12 LEU B 15 22.994 5.416 3.777 1.00 0.00 H new ATOM 0 HD13 LEU B 15 24.370 6.431 3.282 1.00 0.00 H new ATOM 0 HD21 LEU B 15 25.537 4.482 1.216 1.00 0.00 H new ATOM 0 HD22 LEU B 15 26.474 5.369 2.442 1.00 0.00 H new ATOM 0 HD23 LEU B 15 26.594 3.596 2.340 1.00 0.00 H new ATOM 808 N SER B 16 26.139 2.526 7.285 1.00 0.00 N0 ATOM 809 CA SER B 16 26.785 2.520 8.593 1.00 0.00 C0 ATOM 810 C SER B 16 27.889 1.467 8.654 1.00 0.00 C0 ATOM 811 O SER B 16 28.996 1.732 9.144 1.00 0.00 O0 ATOM 812 CB SER B 16 25.749 2.245 9.682 1.00 0.00 C0 ATOM 813 OG SER B 16 26.400 2.189 10.944 1.00 0.00 O0 ATOM 0 H SER B 16 25.185 2.165 7.281 1.00 0.00 H new ATOM 0 HA SER B 16 27.235 3.499 8.756 1.00 0.00 H new ATOM 0 HB2 SER B 16 24.991 3.028 9.685 1.00 0.00 H new ATOM 0 HB3 SER B 16 25.235 1.305 9.483 1.00 0.00 H new ATOM 0 HG SER B 16 25.739 2.014 11.646 1.00 0.00 H new ATOM 819 N ALA B 17 27.583 0.277 8.147 1.00 0.00 N0 ATOM 820 CA ALA B 17 28.550 -0.815 8.144 1.00 0.00 C0 ATOM 821 C ALA B 17 29.680 -0.535 7.155 1.00 0.00 C0 ATOM 822 O ALA B 17 30.825 -0.955 7.356 1.00 0.00 O0 ATOM 823 CB ALA B 17 27.856 -2.129 7.777 1.00 0.00 C0 ATOM 0 H ALA B 17 26.679 0.045 7.735 1.00 0.00 H new ATOM 0 HA ALA B 17 28.976 -0.898 9.144 1.00 0.00 H new ATOM 0 HB1 ALA B 17 28.586 -2.938 7.777 1.00 0.00 H new ATOM 0 HB2 ALA B 17 27.075 -2.344 8.506 1.00 0.00 H new ATOM 0 HB3 ALA B 17 27.412 -2.041 6.785 1.00 0.00 H new ATOM 829 N LEU B 18 29.356 0.187 6.090 1.00 0.00 N0 ATOM 830 CA LEU B 18 30.351 0.522 5.080 1.00 0.00 C0 ATOM 831 C LEU B 18 31.249 1.663 5.548 1.00 0.00 C0 ATOM 832 O LEU B 18 32.436 1.706 5.207 1.00 0.00 O0 ATOM 833 CB LEU B 18 29.654 0.914 3.774 1.00 0.00 C0 ATOM 834 CG LEU B 18 29.645 -0.283 2.819 1.00 0.00 C0 ATOM 835 CD1 LEU B 18 28.733 -1.376 3.374 1.00 0.00 C0 ATOM 836 CD2 LEU B 18 29.129 0.166 1.450 1.00 0.00 C0 ATOM 0 H LEU B 18 28.421 0.549 5.904 1.00 0.00 H new ATOM 0 HA LEU B 18 30.975 -0.356 4.913 1.00 0.00 H new ATOM 0 HB2 LEU B 18 28.633 1.238 3.977 1.00 0.00 H new ATOM 0 HB3 LEU B 18 30.170 1.756 3.313 1.00 0.00 H new ATOM 0 HG LEU B 18 30.657 -0.675 2.718 1.00 0.00 H new ATOM 0 HD11 LEU B 18 28.728 -2.227 2.693 1.00 0.00 H new ATOM 0 HD12 LEU B 18 29.099 -1.695 4.350 1.00 0.00 H new ATOM 0 HD13 LEU B 18 27.720 -0.987 3.476 1.00 0.00 H new ATOM 0 HD21 LEU B 18 29.121 -0.684 0.767 1.00 0.00 H new ATOM 0 HD22 LEU B 18 28.117 0.558 1.553 1.00 0.00 H new ATOM 0 HD23 LEU B 18 29.781 0.944 1.053 1.00 0.00 H new ATOM 848 N HIS B 19 30.680 2.574 6.339 1.00 0.00 N0 ATOM 849 CA HIS B 19 31.436 3.705 6.856 1.00 0.00 C0 ATOM 850 C HIS B 19 32.498 3.227 7.836 1.00 0.00 C0 ATOM 851 O HIS B 19 33.666 3.620 7.745 1.00 0.00 O0 ATOM 852 CB HIS B 19 30.491 4.693 7.541 1.00 0.00 C0 ATOM 853 CG HIS B 19 31.272 5.890 8.004 1.00 0.00 C0 ATOM 854 ND1 HIS B 19 31.872 6.769 7.115 1.00 0.00 N0 ATOM 855 CD2 HIS B 19 31.561 6.368 9.257 1.00 0.00 C0 ATOM 856 CE1 HIS B 19 32.485 7.723 7.840 1.00 0.00 C0 ATOM 857 NE2 HIS B 19 32.327 7.525 9.151 1.00 0.00 N0 ATOM 0 H HIS B 19 29.703 2.547 6.632 1.00 0.00 H new ATOM 0 HA HIS B 19 31.932 4.207 6.025 1.00 0.00 H new ATOM 0 HB2 HIS B 19 29.706 5.002 6.850 1.00 0.00 H new ATOM 0 HB3 HIS B 19 30.000 4.215 8.389 1.00 0.00 H new ATOM 0 HD2 HIS B 19 31.243 5.915 10.184 1.00 0.00 H new ATOM 0 HE1 HIS B 19 33.037 8.548 7.414 1.00 0.00 H new ATOM 0 HE2 HIS B 19 32.690 8.099 9.912 1.00 0.00 H new ATOM 865 N PHE B 20 32.088 2.362 8.763 1.00 0.00 N0 ATOM 866 CA PHE B 20 33.019 1.826 9.748 1.00 0.00 C0 ATOM 867 C PHE B 20 33.992 0.867 9.080 1.00 0.00 C0 ATOM 868 O PHE B 20 35.123 0.706 9.537 1.00 0.00 O0 ATOM 869 CB PHE B 20 32.258 1.110 10.862 1.00 0.00 C0 ATOM 870 CG PHE B 20 32.243 1.975 12.102 1.00 0.00 C0 ATOM 871 CD1 PHE B 20 31.383 3.076 12.182 1.00 0.00 C0 ATOM 872 CD2 PHE B 20 33.093 1.673 13.172 1.00 0.00 C0 ATOM 873 CE1 PHE B 20 31.374 3.878 13.334 1.00 0.00 C0 ATOM 874 CE2 PHE B 20 33.084 2.470 14.324 1.00 0.00 C0 ATOM 875 CZ PHE B 20 32.227 3.573 14.408 1.00 0.00 C0 ATOM 0 H PHE B 20 31.130 2.023 8.851 1.00 0.00 H new ATOM 0 HA PHE B 20 33.581 2.652 10.184 1.00 0.00 H new ATOM 0 HB2 PHE B 20 31.238 0.898 10.542 1.00 0.00 H new ATOM 0 HB3 PHE B 20 32.729 0.152 11.080 1.00 0.00 H new ATOM 0 HD1 PHE B 20 30.726 3.309 11.357 1.00 0.00 H new ATOM 0 HD2 PHE B 20 33.757 0.824 13.109 1.00 0.00 H new ATOM 0 HE1 PHE B 20 30.712 4.729 13.395 1.00 0.00 H new ATOM 0 HE2 PHE B 20 33.740 2.233 15.149 1.00 0.00 H new ATOM 0 HZ PHE B 20 32.221 4.188 15.296 1.00 0.00 H new ATOM 885 N MET B 21 33.550 0.234 7.994 1.00 0.00 N0 ATOM 886 CA MET B 21 34.407 -0.702 7.274 1.00 0.00 C0 ATOM 887 C MET B 21 35.652 0.013 6.733 1.00 0.00 C0 ATOM 888 O MET B 21 36.794 -0.379 7.025 1.00 0.00 O0 ATOM 889 CB MET B 21 33.625 -1.313 6.109 1.00 0.00 C0 ATOM 890 CG MET B 21 32.979 -2.624 6.561 1.00 0.00 C0 ATOM 891 SD MET B 21 34.226 -3.937 6.576 1.00 0.00 S0 ATOM 892 CE MET B 21 34.150 -4.339 4.811 1.00 0.00 C0 ATOM 0 H MET B 21 32.617 0.351 7.599 1.00 0.00 H new ATOM 0 HA MET B 21 34.725 -1.486 7.961 1.00 0.00 H new ATOM 0 HB2 MET B 21 32.859 -0.617 5.766 1.00 0.00 H new ATOM 0 HB3 MET B 21 34.291 -1.495 5.266 1.00 0.00 H new ATOM 0 HG2 MET B 21 32.548 -2.506 7.555 1.00 0.00 H new ATOM 0 HG3 MET B 21 32.163 -2.890 5.889 1.00 0.00 H new ATOM 0 HE1 MET B 21 33.552 -5.239 4.668 1.00 0.00 H new ATOM 0 HE2 MET B 21 33.694 -3.511 4.268 1.00 0.00 H new ATOM 0 HE3 MET B 21 35.158 -4.510 4.433 1.00 0.00 H new ATOM 902 N ALA B 22 35.424 1.073 5.958 1.00 0.00 N0 ATOM 903 CA ALA B 22 36.531 1.836 5.396 1.00 0.00 C0 ATOM 904 C ALA B 22 37.359 2.466 6.509 1.00 0.00 C0 ATOM 905 O ALA B 22 38.586 2.488 6.443 1.00 0.00 O0 ATOM 906 CB ALA B 22 36.001 2.925 4.468 1.00 0.00 C0 ATOM 0 H ALA B 22 34.496 1.417 5.709 1.00 0.00 H new ATOM 0 HA ALA B 22 37.165 1.157 4.825 1.00 0.00 H new ATOM 0 HB1 ALA B 22 36.837 3.489 4.054 1.00 0.00 H new ATOM 0 HB2 ALA B 22 35.434 2.468 3.657 1.00 0.00 H new ATOM 0 HB3 ALA B 22 35.353 3.598 5.029 1.00 0.00 H new ATOM 912 N TRP B 23 36.679 2.969 7.536 1.00 0.00 N0 ATOM 913 CA TRP B 23 37.371 3.591 8.660 1.00 0.00 C0 ATOM 914 C TRP B 23 38.344 2.604 9.297 1.00 0.00 C0 ATOM 915 O TRP B 23 39.505 2.935 9.538 1.00 0.00 O0 ATOM 916 CB TRP B 23 36.351 4.055 9.701 1.00 0.00 C0 ATOM 917 CG TRP B 23 36.414 5.542 9.832 1.00 0.00 C0 ATOM 918 CD1 TRP B 23 35.798 6.425 9.015 1.00 0.00 C0 ATOM 919 CD2 TRP B 23 37.123 6.334 10.831 1.00 0.00 C0 ATOM 920 NE1 TRP B 23 36.085 7.708 9.446 1.00 0.00 N0 ATOM 921 CE2 TRP B 23 36.897 7.704 10.563 1.00 0.00 C0 ATOM 922 CE3 TRP B 23 37.932 5.998 11.935 1.00 0.00 C0 ATOM 923 CZ2 TRP B 23 37.454 8.707 11.359 1.00 0.00 C0 ATOM 924 CZ3 TRP B 23 38.494 7.005 12.738 1.00 0.00 C0 ATOM 925 CH2 TRP B 23 38.255 8.358 12.450 1.00 0.00 C0 ATOM 0 H TRP B 23 35.662 2.959 7.613 1.00 0.00 H new ATOM 0 HA TRP B 23 37.933 4.450 8.294 1.00 0.00 H new ATOM 0 HB2 TRP B 23 35.348 3.748 9.405 1.00 0.00 H new ATOM 0 HB3 TRP B 23 36.558 3.585 10.663 1.00 0.00 H new ATOM 0 HD1 TRP B 23 35.182 6.171 8.165 1.00 0.00 H new ATOM 0 HE1 TRP B 23 35.739 8.554 8.994 1.00 0.00 H new ATOM 0 HE3 TRP B 23 38.121 4.960 12.165 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 37.267 9.746 11.133 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 39.113 6.737 13.581 1.00 0.00 H new ATOM 0 HH2 TRP B 23 38.689 9.128 13.070 1.00 0.00 H new ATOM 936 N THR B 24 37.862 1.398 9.571 1.00 0.00 N0 ATOM 937 CA THR B 24 38.694 0.374 10.189 1.00 0.00 C0 ATOM 938 C THR B 24 39.953 0.155 9.360 1.00 0.00 C0 ATOM 939 O THR B 24 41.059 0.100 9.895 1.00 0.00 O0 ATOM 940 CB THR B 24 37.918 -0.940 10.284 1.00 0.00 C0 ATOM 941 OG1 THR B 24 36.762 -0.750 11.089 1.00 0.00 O0 ATOM 942 CG2 THR B 24 38.805 -2.018 10.911 1.00 0.00 C0 ATOM 0 H THR B 24 36.904 1.106 9.376 1.00 0.00 H new ATOM 0 HA THR B 24 38.972 0.706 11.189 1.00 0.00 H new ATOM 0 HB THR B 24 37.619 -1.256 9.285 1.00 0.00 H new ATOM 0 HG1 THR B 24 36.103 -0.220 10.595 1.00 0.00 H new ATOM 0 HG21 THR B 24 38.249 -2.953 10.977 1.00 0.00 H new ATOM 0 HG22 THR B 24 39.691 -2.165 10.293 1.00 0.00 H new ATOM 0 HG23 THR B 24 39.108 -1.704 11.910 1.00 0.00 H new ATOM 950 N ILE B 25 39.780 0.043 8.050 1.00 0.00 N0 ATOM 951 CA ILE B 25 40.925 -0.158 7.159 1.00 0.00 C0 ATOM 952 C ILE B 25 41.863 1.051 7.189 1.00 0.00 C0 ATOM 953 O ILE B 25 43.085 0.910 7.180 1.00 0.00 O0 ATOM 954 CB ILE B 25 40.438 -0.394 5.731 1.00 0.00 C0 ATOM 955 CG1 ILE B 25 39.754 -1.760 5.649 1.00 0.00 C0 ATOM 956 CG2 ILE B 25 41.628 -0.359 4.770 1.00 0.00 C0 ATOM 957 CD1 ILE B 25 39.006 -1.878 4.319 1.00 0.00 C0 ATOM 0 H ILE B 25 38.875 0.086 7.582 1.00 0.00 H new ATOM 0 HA ILE B 25 41.477 -1.032 7.506 1.00 0.00 H new ATOM 0 HB ILE B 25 39.729 0.387 5.455 1.00 0.00 H new ATOM 0 HG12 ILE B 25 40.495 -2.555 5.733 1.00 0.00 H new ATOM 0 HG13 ILE B 25 39.060 -1.881 6.481 1.00 0.00 H new ATOM 0 HG21 ILE B 25 41.278 -0.528 3.752 1.00 0.00 H new ATOM 0 HG22 ILE B 25 42.115 0.614 4.830 1.00 0.00 H new ATOM 0 HG23 ILE B 25 42.339 -1.138 5.043 1.00 0.00 H new ATOM 0 HD11 ILE B 25 38.519 -2.851 4.261 1.00 0.00 H new ATOM 0 HD12 ILE B 25 38.254 -1.091 4.253 1.00 0.00 H new ATOM 0 HD13 ILE B 25 39.711 -1.776 3.494 1.00 0.00 H new ATOM 969 N GLY B 26 41.275 2.236 7.215 1.00 0.00 N0 ATOM 970 CA GLY B 26 42.064 3.468 7.236 1.00 0.00 C0 ATOM 971 C GLY B 26 42.965 3.516 8.465 1.00 0.00 C0 ATOM 972 O GLY B 26 44.154 3.817 8.364 1.00 0.00 O0 ATOM 0 H GLY B 26 40.265 2.376 7.222 1.00 0.00 H new ATOM 0 HA2 GLY B 26 42.671 3.532 6.333 1.00 0.00 H new ATOM 0 HA3 GLY B 26 41.398 4.331 7.234 1.00 0.00 H new ATOM 976 N HIS B 27 42.389 3.224 9.626 1.00 0.00 N0 ATOM 977 CA HIS B 27 43.146 3.238 10.871 1.00 0.00 C0 ATOM 978 C HIS B 27 44.247 2.181 10.839 1.00 0.00 C0 ATOM 979 O HIS B 27 45.355 2.408 11.325 1.00 0.00 O0 ATOM 980 CB HIS B 27 42.217 2.975 12.056 1.00 0.00 C0 ATOM 981 CG HIS B 27 42.922 3.334 13.334 1.00 0.00 C0 ATOM 982 ND1 HIS B 27 43.902 2.530 13.891 1.00 0.00 N0 ATOM 983 CD2 HIS B 27 42.796 4.411 14.179 1.00 0.00 C0 ATOM 984 CE1 HIS B 27 44.326 3.127 15.020 1.00 0.00 C0 ATOM 985 NE2 HIS B 27 43.683 4.278 15.242 1.00 0.00 N0 ATOM 0 H HIS B 27 41.405 2.976 9.730 1.00 0.00 H new ATOM 0 HA HIS B 27 43.603 4.221 10.984 1.00 0.00 H new ATOM 0 HB2 HIS B 27 41.305 3.562 11.954 1.00 0.00 H new ATOM 0 HB3 HIS B 27 41.921 1.926 12.074 1.00 0.00 H new ATOM 0 HD2 HIS B 27 42.112 5.235 14.039 1.00 0.00 H new ATOM 0 HE1 HIS B 27 45.092 2.726 15.667 1.00 0.00 H new ATOM 0 HE2 HIS B 27 43.815 4.921 16.023 1.00 0.00 H new ATOM 993 N LEU B 28 43.935 1.027 10.257 1.00 0.00 N0 ATOM 994 CA LEU B 28 44.908 -0.055 10.160 1.00 0.00 C0 ATOM 995 C LEU B 28 46.054 0.327 9.242 1.00 0.00 C0 ATOM 996 O LEU B 28 47.206 -0.018 9.504 1.00 0.00 O0 ATOM 997 CB LEU B 28 44.225 -1.325 9.641 1.00 0.00 C0 ATOM 998 CG LEU B 28 43.857 -2.234 10.817 1.00 0.00 C0 ATOM 999 CD1 LEU B 28 45.129 -2.881 11.376 1.00 0.00 C0 ATOM 1000 CD2 LEU B 28 43.160 -1.414 11.920 1.00 0.00 C0 ATOM 0 H LEU B 28 43.024 0.818 9.849 1.00 0.00 H new ATOM 0 HA LEU B 28 45.313 -0.242 11.154 1.00 0.00 H new ATOM 0 HB2 LEU B 28 43.329 -1.063 9.078 1.00 0.00 H new ATOM 0 HB3 LEU B 28 44.889 -1.852 8.956 1.00 0.00 H new ATOM 0 HG LEU B 28 43.175 -3.011 10.472 1.00 0.00 H new ATOM 0 HD11 LEU B 28 44.870 -3.529 12.213 1.00 0.00 H new ATOM 0 HD12 LEU B 28 45.610 -3.471 10.596 1.00 0.00 H new ATOM 0 HD13 LEU B 28 45.813 -2.104 11.717 1.00 0.00 H new ATOM 0 HD21 LEU B 28 42.902 -2.069 12.752 1.00 0.00 H new ATOM 0 HD22 LEU B 28 43.832 -0.630 12.270 1.00 0.00 H new ATOM 0 HD23 LEU B 28 42.253 -0.962 11.519 1.00 0.00 H new ATOM 1177 N PHE C 5 9.569 3.611 15.284 1.00 0.00 N0 ATOM 1178 CA PHE C 5 10.727 4.381 14.836 1.00 0.00 C0 ATOM 1179 C PHE C 5 11.702 4.625 15.992 1.00 0.00 C0 ATOM 1180 O PHE C 5 12.808 5.130 15.792 1.00 0.00 O0 ATOM 1181 CB PHE C 5 10.269 5.720 14.256 1.00 0.00 C0 ATOM 1182 CG PHE C 5 10.096 6.720 15.372 1.00 0.00 C0 ATOM 1183 CD1 PHE C 5 11.099 7.664 15.628 1.00 0.00 C0 ATOM 1184 CD2 PHE C 5 8.936 6.705 16.156 1.00 0.00 C0 ATOM 1185 CE1 PHE C 5 10.943 8.588 16.666 1.00 0.00 C0 ATOM 1186 CE2 PHE C 5 8.779 7.630 17.192 1.00 0.00 C0 ATOM 1187 CZ PHE C 5 9.782 8.570 17.448 1.00 0.00 C0 ATOM 0 HA PHE C 5 11.242 3.807 14.065 1.00 0.00 H new ATOM 0 HB2 PHE C 5 11.001 6.086 13.536 1.00 0.00 H new ATOM 0 HB3 PHE C 5 9.329 5.593 13.718 1.00 0.00 H new ATOM 0 HD1 PHE C 5 11.994 7.678 15.023 1.00 0.00 H new ATOM 0 HD2 PHE C 5 8.162 5.978 15.960 1.00 0.00 H new ATOM 0 HE1 PHE C 5 11.717 9.315 16.864 1.00 0.00 H new ATOM 0 HE2 PHE C 5 7.883 7.619 17.795 1.00 0.00 H new ATOM 0 HZ PHE C 5 9.661 9.283 18.250 1.00 0.00 H new ATOM 1197 N GLN C 6 11.287 4.263 17.205 1.00 0.00 N0 ATOM 1198 CA GLN C 6 12.127 4.443 18.373 1.00 0.00 C0 ATOM 1199 C GLN C 6 13.395 3.608 18.249 1.00 0.00 C0 ATOM 1200 O GLN C 6 14.447 3.990 18.757 1.00 0.00 O0 ATOM 1201 CB GLN C 6 11.362 4.029 19.631 1.00 0.00 C0 ATOM 1202 CG GLN C 6 12.123 4.504 20.868 1.00 0.00 C0 ATOM 1203 CD GLN C 6 11.580 5.853 21.329 1.00 0.00 C0 ATOM 1204 OE1 GLN C 6 10.369 6.074 21.306 1.00 0.00 O0 ATOM 1205 NE2 GLN C 6 12.405 6.772 21.748 1.00 0.00 N0 ATOM 0 H GLN C 6 10.377 3.845 17.397 1.00 0.00 H new ATOM 0 HA GLN C 6 12.403 5.495 18.445 1.00 0.00 H new ATOM 0 HB2 GLN C 6 10.361 4.460 19.619 1.00 0.00 H new ATOM 0 HB3 GLN C 6 11.243 2.946 19.658 1.00 0.00 H new ATOM 0 HG2 GLN C 6 12.026 3.771 21.669 1.00 0.00 H new ATOM 0 HG3 GLN C 6 13.186 4.589 20.641 1.00 0.00 H new ATOM 0 HE21 GLN C 6 13.408 6.587 21.766 1.00 0.00 H new ATOM 0 HE22 GLN C 6 12.047 7.676 22.057 1.00 0.00 H new ATOM 1214 N ILE C 7 13.287 2.463 17.578 1.00 0.00 N0 ATOM 1215 CA ILE C 7 14.438 1.584 17.402 1.00 0.00 C0 ATOM 1216 C ILE C 7 15.510 2.263 16.553 1.00 0.00 C0 ATOM 1217 O ILE C 7 16.708 2.058 16.772 1.00 0.00 O0 ATOM 1218 CB ILE C 7 13.994 0.278 16.729 1.00 0.00 C0 ATOM 1219 CG1 ILE C 7 13.651 0.548 15.259 1.00 0.00 C0 ATOM 1220 CG2 ILE C 7 12.760 -0.276 17.446 1.00 0.00 C0 ATOM 1221 CD1 ILE C 7 13.039 -0.704 14.631 1.00 0.00 C0 ATOM 0 H ILE C 7 12.424 2.126 17.152 1.00 0.00 H new ATOM 0 HA ILE C 7 14.860 1.364 18.383 1.00 0.00 H new ATOM 0 HB ILE C 7 14.804 -0.449 16.786 1.00 0.00 H new ATOM 0 HG12 ILE C 7 12.952 1.381 15.186 1.00 0.00 H new ATOM 0 HG13 ILE C 7 14.549 0.837 14.714 1.00 0.00 H new ATOM 0 HG21 ILE C 7 12.446 -1.203 16.967 1.00 0.00 H new ATOM 0 HG22 ILE C 7 13.003 -0.472 18.490 1.00 0.00 H new ATOM 0 HG23 ILE C 7 11.951 0.452 17.392 1.00 0.00 H new ATOM 0 HD11 ILE C 7 12.797 -0.506 13.587 1.00 0.00 H new ATOM 0 HD12 ILE C 7 13.752 -1.526 14.689 1.00 0.00 H new ATOM 0 HD13 ILE C 7 12.130 -0.974 15.169 1.00 0.00 H new ATOM 1233 N LEU C 8 15.077 3.070 15.587 1.00 0.00 N0 ATOM 1234 CA LEU C 8 16.002 3.766 14.712 1.00 0.00 C0 ATOM 1235 C LEU C 8 16.649 4.938 15.436 1.00 0.00 C0 ATOM 1236 O LEU C 8 17.808 5.277 15.188 1.00 0.00 O0 ATOM 1237 CB LEU C 8 15.263 4.271 13.468 1.00 0.00 C0 ATOM 1238 CG LEU C 8 16.277 4.792 12.449 1.00 0.00 C0 ATOM 1239 CD1 LEU C 8 17.032 3.616 11.827 1.00 0.00 C0 ATOM 1240 CD2 LEU C 8 15.543 5.566 11.352 1.00 0.00 C0 ATOM 0 H LEU C 8 14.092 3.254 15.395 1.00 0.00 H new ATOM 0 HA LEU C 8 16.784 3.068 14.412 1.00 0.00 H new ATOM 0 HB2 LEU C 8 14.673 3.466 13.031 1.00 0.00 H new ATOM 0 HB3 LEU C 8 14.567 5.064 13.742 1.00 0.00 H new ATOM 0 HG LEU C 8 16.987 5.452 12.949 1.00 0.00 H new ATOM 0 HD11 LEU C 8 17.754 3.990 11.101 1.00 0.00 H new ATOM 0 HD12 LEU C 8 17.555 3.065 12.609 1.00 0.00 H new ATOM 0 HD13 LEU C 8 16.325 2.953 11.327 1.00 0.00 H new ATOM 0 HD21 LEU C 8 16.264 5.938 10.625 1.00 0.00 H new ATOM 0 HD22 LEU C 8 14.833 4.906 10.854 1.00 0.00 H new ATOM 0 HD23 LEU C 8 15.008 6.406 11.795 1.00 0.00 H new ATOM 1252 N SER C 9 15.891 5.550 16.343 1.00 0.00 N0 ATOM 1253 CA SER C 9 16.399 6.682 17.111 1.00 0.00 C0 ATOM 1254 C SER C 9 17.394 6.215 18.171 1.00 0.00 C0 ATOM 1255 O SER C 9 18.451 6.819 18.353 1.00 0.00 O0 ATOM 1256 CB SER C 9 15.245 7.425 17.775 1.00 0.00 C0 ATOM 1257 OG SER C 9 15.759 8.535 18.501 1.00 0.00 O0 ATOM 0 H SER C 9 14.931 5.283 16.562 1.00 0.00 H new ATOM 0 HA SER C 9 16.913 7.356 16.426 1.00 0.00 H new ATOM 0 HB2 SER C 9 14.535 7.765 17.022 1.00 0.00 H new ATOM 0 HB3 SER C 9 14.704 6.757 18.445 1.00 0.00 H new ATOM 0 HG SER C 9 15.020 9.017 18.928 1.00 0.00 H new ATOM 1263 N ILE C 10 17.045 5.136 18.861 1.00 0.00 N0 ATOM 1264 CA ILE C 10 17.909 4.589 19.896 1.00 0.00 C0 ATOM 1265 C ILE C 10 19.206 4.072 19.295 1.00 0.00 C0 ATOM 1266 O ILE C 10 20.282 4.278 19.856 1.00 0.00 O0 ATOM 1267 CB ILE C 10 17.197 3.454 20.635 1.00 0.00 C0 ATOM 1268 CG1 ILE C 10 16.084 4.037 21.517 1.00 0.00 C0 ATOM 1269 CG2 ILE C 10 18.205 2.699 21.515 1.00 0.00 C0 ATOM 1270 CD1 ILE C 10 16.685 4.621 22.804 1.00 0.00 C0 ATOM 0 H ILE C 10 16.173 4.625 18.722 1.00 0.00 H new ATOM 0 HA ILE C 10 18.142 5.387 20.601 1.00 0.00 H new ATOM 0 HB ILE C 10 16.764 2.766 19.909 1.00 0.00 H new ATOM 0 HG12 ILE C 10 15.546 4.813 20.972 1.00 0.00 H new ATOM 0 HG13 ILE C 10 15.360 3.260 21.764 1.00 0.00 H new ATOM 0 HG21 ILE C 10 17.696 1.891 22.040 1.00 0.00 H new ATOM 0 HG22 ILE C 10 18.995 2.284 20.889 1.00 0.00 H new ATOM 0 HG23 ILE C 10 18.641 3.386 22.241 1.00 0.00 H new ATOM 0 HD11 ILE C 10 15.888 5.032 23.424 1.00 0.00 H new ATOM 0 HD12 ILE C 10 17.203 3.835 23.353 1.00 0.00 H new ATOM 0 HD13 ILE C 10 17.391 5.411 22.550 1.00 0.00 H new ATOM 1282 N CYS C 11 19.100 3.395 18.153 1.00 0.00 N0 ATOM 1283 CA CYS C 11 20.282 2.859 17.491 1.00 0.00 C0 ATOM 1284 C CYS C 11 21.206 3.980 17.033 1.00 0.00 C0 ATOM 1285 O CYS C 11 22.403 3.964 17.324 1.00 0.00 O0 ATOM 1286 CB CYS C 11 19.860 2.019 16.288 1.00 0.00 C0 ATOM 1287 SG CYS C 11 19.130 0.466 16.862 1.00 0.00 S0 ATOM 0 H CYS C 11 18.219 3.208 17.674 1.00 0.00 H new ATOM 0 HA CYS C 11 20.823 2.237 18.204 1.00 0.00 H new ATOM 0 HB2 CYS C 11 19.140 2.569 15.681 1.00 0.00 H new ATOM 0 HB3 CYS C 11 20.722 1.815 15.653 1.00 0.00 H new ATOM 0 HG CYS C 11 17.852 0.627 17.040 1.00 0.00 H new ATOM 1293 N SER C 12 20.647 4.952 16.315 1.00 0.00 N0 ATOM 1294 CA SER C 12 21.440 6.067 15.819 1.00 0.00 C0 ATOM 1295 C SER C 12 22.091 6.808 16.978 1.00 0.00 C0 ATOM 1296 O SER C 12 23.240 7.225 16.885 1.00 0.00 O0 ATOM 1297 CB SER C 12 20.545 7.031 15.039 1.00 0.00 C0 ATOM 1298 OG SER C 12 19.567 7.574 15.915 1.00 0.00 O0 ATOM 0 H SER C 12 19.658 4.988 16.067 1.00 0.00 H new ATOM 0 HA SER C 12 22.218 5.678 15.163 1.00 0.00 H new ATOM 0 HB2 SER C 12 21.144 7.831 14.603 1.00 0.00 H new ATOM 0 HB3 SER C 12 20.061 6.509 14.213 1.00 0.00 H new ATOM 0 HG SER C 12 19.354 6.920 16.613 1.00 0.00 H new ATOM 1304 N PHE C 13 21.353 6.964 18.070 1.00 0.00 N0 ATOM 1305 CA PHE C 13 21.874 7.653 19.242 1.00 0.00 C0 ATOM 1306 C PHE C 13 23.098 6.927 19.790 1.00 0.00 C0 ATOM 1307 O PHE C 13 24.111 7.550 20.116 1.00 0.00 O0 ATOM 1308 CB PHE C 13 20.797 7.726 20.326 1.00 0.00 C0 ATOM 1309 CG PHE C 13 21.293 8.568 21.477 1.00 0.00 C0 ATOM 1310 CD1 PHE C 13 20.979 9.931 21.533 1.00 0.00 C0 ATOM 1311 CD2 PHE C 13 22.069 7.987 22.487 1.00 0.00 C0 ATOM 1312 CE1 PHE C 13 21.441 10.713 22.599 1.00 0.00 C0 ATOM 1313 CE2 PHE C 13 22.531 8.769 23.552 1.00 0.00 C0 ATOM 1314 CZ PHE C 13 22.217 10.131 23.609 1.00 0.00 C0 ATOM 0 H PHE C 13 20.396 6.624 18.168 1.00 0.00 H new ATOM 0 HA PHE C 13 22.164 8.662 18.948 1.00 0.00 H new ATOM 0 HB2 PHE C 13 19.883 8.155 19.916 1.00 0.00 H new ATOM 0 HB3 PHE C 13 20.550 6.724 20.676 1.00 0.00 H new ATOM 0 HD1 PHE C 13 20.380 10.380 20.754 1.00 0.00 H new ATOM 0 HD2 PHE C 13 22.311 6.935 22.444 1.00 0.00 H new ATOM 0 HE1 PHE C 13 21.199 11.765 22.642 1.00 0.00 H new ATOM 0 HE2 PHE C 13 23.130 8.320 24.330 1.00 0.00 H new ATOM 0 HZ PHE C 13 22.573 10.733 24.432 1.00 0.00 H new ATOM 1324 N ILE C 14 23.002 5.604 19.886 1.00 0.00 N0 ATOM 1325 CA ILE C 14 24.110 4.804 20.393 1.00 0.00 C0 ATOM 1326 C ILE C 14 25.323 4.923 19.476 1.00 0.00 C0 ATOM 1327 O ILE C 14 26.444 5.145 19.935 1.00 0.00 O0 ATOM 1328 CB ILE C 14 23.686 3.336 20.496 1.00 0.00 C0 ATOM 1329 CG1 ILE C 14 22.636 3.187 21.600 1.00 0.00 C0 ATOM 1330 CG2 ILE C 14 24.904 2.471 20.839 1.00 0.00 C0 ATOM 1331 CD1 ILE C 14 21.990 1.801 21.506 1.00 0.00 C0 ATOM 0 H ILE C 14 22.176 5.068 19.622 1.00 0.00 H new ATOM 0 HA ILE C 14 24.381 5.176 21.381 1.00 0.00 H new ATOM 0 HB ILE C 14 23.267 3.014 19.543 1.00 0.00 H new ATOM 0 HG12 ILE C 14 23.100 3.318 22.578 1.00 0.00 H new ATOM 0 HG13 ILE C 14 21.876 3.962 21.501 1.00 0.00 H new ATOM 0 HG21 ILE C 14 24.600 1.427 20.912 1.00 0.00 H new ATOM 0 HG22 ILE C 14 25.657 2.576 20.058 1.00 0.00 H new ATOM 0 HG23 ILE C 14 25.323 2.794 21.792 1.00 0.00 H new ATOM 0 HD11 ILE C 14 21.242 1.694 22.292 1.00 0.00 H new ATOM 0 HD12 ILE C 14 21.512 1.687 20.533 1.00 0.00 H new ATOM 0 HD13 ILE C 14 22.755 1.034 21.626 1.00 0.00 H new ATOM 1343 N LEU C 15 25.095 4.766 18.175 1.00 0.00 N0 ATOM 1344 CA LEU C 15 26.177 4.850 17.205 1.00 0.00 C0 ATOM 1345 C LEU C 15 26.762 6.258 17.172 1.00 0.00 C0 ATOM 1346 O LEU C 15 27.925 6.449 16.829 1.00 0.00 O0 ATOM 1347 CB LEU C 15 25.658 4.476 15.813 1.00 0.00 C0 ATOM 1348 CG LEU C 15 25.331 2.980 15.774 1.00 0.00 C0 ATOM 1349 CD1 LEU C 15 24.530 2.667 14.508 1.00 0.00 C0 ATOM 1350 CD2 LEU C 15 26.635 2.171 15.767 1.00 0.00 C0 ATOM 0 H LEU C 15 24.176 4.581 17.772 1.00 0.00 H new ATOM 0 HA LEU C 15 26.961 4.153 17.501 1.00 0.00 H new ATOM 0 HB2 LEU C 15 24.768 5.060 15.576 1.00 0.00 H new ATOM 0 HB3 LEU C 15 26.407 4.715 15.058 1.00 0.00 H new ATOM 0 HG LEU C 15 24.743 2.713 16.652 1.00 0.00 H new ATOM 0 HD11 LEU C 15 24.297 1.603 14.479 1.00 0.00 H new ATOM 0 HD12 LEU C 15 23.604 3.242 14.512 1.00 0.00 H new ATOM 0 HD13 LEU C 15 25.118 2.934 13.630 1.00 0.00 H new ATOM 0 HD21 LEU C 15 26.403 1.106 15.739 1.00 0.00 H new ATOM 0 HD22 LEU C 15 27.223 2.437 14.889 1.00 0.00 H new ATOM 0 HD23 LEU C 15 27.207 2.394 16.668 1.00 0.00 H new ATOM 1362 N SER C 16 25.947 7.238 17.539 1.00 0.00 N0 ATOM 1363 CA SER C 16 26.391 8.627 17.553 1.00 0.00 C0 ATOM 1364 C SER C 16 27.381 8.874 18.690 1.00 0.00 C0 ATOM 1365 O SER C 16 28.422 9.520 18.501 1.00 0.00 O0 ATOM 1366 CB SER C 16 25.188 9.557 17.711 1.00 0.00 C0 ATOM 1367 OG SER C 16 25.640 10.903 17.766 1.00 0.00 O0 ATOM 0 H SER C 16 24.979 7.099 17.830 1.00 0.00 H new ATOM 0 HA SER C 16 26.892 8.833 16.607 1.00 0.00 H new ATOM 0 HB2 SER C 16 24.500 9.426 16.876 1.00 0.00 H new ATOM 0 HB3 SER C 16 24.638 9.308 18.619 1.00 0.00 H new ATOM 0 HG SER C 16 24.948 11.464 18.175 1.00 0.00 H new ATOM 1373 N ALA C 17 27.055 8.346 19.867 1.00 0.00 N0 ATOM 1374 CA ALA C 17 27.918 8.509 21.030 1.00 0.00 C0 ATOM 1375 C ALA C 17 29.196 7.688 20.878 1.00 0.00 C0 ATOM 1376 O ALA C 17 30.261 8.060 21.384 1.00 0.00 O0 ATOM 1377 CB ALA C 17 27.174 8.075 22.297 1.00 0.00 C0 ATOM 0 H ALA C 17 26.207 7.806 20.039 1.00 0.00 H new ATOM 0 HA ALA C 17 28.189 9.562 21.110 1.00 0.00 H new ATOM 0 HB1 ALA C 17 27.825 8.200 23.162 1.00 0.00 H new ATOM 0 HB2 ALA C 17 26.282 8.688 22.423 1.00 0.00 H new ATOM 0 HB3 ALA C 17 26.885 7.028 22.208 1.00 0.00 H new ATOM 1383 N LEU C 18 29.093 6.572 20.166 1.00 0.00 N0 ATOM 1384 CA LEU C 18 30.249 5.712 19.947 1.00 0.00 C0 ATOM 1385 C LEU C 18 31.165 6.287 18.870 1.00 0.00 C0 ATOM 1386 O LEU C 18 32.389 6.127 18.936 1.00 0.00 O0 ATOM 1387 CB LEU C 18 29.783 4.311 19.543 1.00 0.00 C0 ATOM 1388 CG LEU C 18 29.812 3.389 20.766 1.00 0.00 C0 ATOM 1389 CD1 LEU C 18 28.740 3.828 21.766 1.00 0.00 C0 ATOM 1390 CD2 LEU C 18 29.538 1.951 20.323 1.00 0.00 C0 ATOM 0 H LEU C 18 28.229 6.244 19.734 1.00 0.00 H new ATOM 0 HA LEU C 18 30.814 5.653 20.877 1.00 0.00 H new ATOM 0 HB2 LEU C 18 28.774 4.356 19.133 1.00 0.00 H new ATOM 0 HB3 LEU C 18 30.428 3.914 18.760 1.00 0.00 H new ATOM 0 HG LEU C 18 30.792 3.445 21.240 1.00 0.00 H new ATOM 0 HD11 LEU C 18 28.762 3.171 22.635 1.00 0.00 H new ATOM 0 HD12 LEU C 18 28.934 4.853 22.081 1.00 0.00 H new ATOM 0 HD13 LEU C 18 27.759 3.773 21.295 1.00 0.00 H new ATOM 0 HD21 LEU C 18 29.558 1.293 21.191 1.00 0.00 H new ATOM 0 HD22 LEU C 18 28.558 1.897 19.849 1.00 0.00 H new ATOM 0 HD23 LEU C 18 30.303 1.637 19.612 1.00 0.00 H new ATOM 1402 N HIS C 19 30.566 6.962 17.887 1.00 0.00 N0 ATOM 1403 CA HIS C 19 31.331 7.561 16.806 1.00 0.00 C0 ATOM 1404 C HIS C 19 32.199 8.695 17.338 1.00 0.00 C0 ATOM 1405 O HIS C 19 33.396 8.769 17.047 1.00 0.00 O0 ATOM 1406 CB HIS C 19 30.387 8.081 15.722 1.00 0.00 C0 ATOM 1407 CG HIS C 19 31.194 8.626 14.577 1.00 0.00 C0 ATOM 1408 ND1 HIS C 19 31.992 7.818 13.782 1.00 0.00 N0 ATOM 1409 CD2 HIS C 19 31.336 9.898 14.081 1.00 0.00 C0 ATOM 1410 CE1 HIS C 19 32.574 8.604 12.859 1.00 0.00 C0 ATOM 1411 NE2 HIS C 19 32.208 9.881 12.995 1.00 0.00 N0 ATOM 0 H HIS C 19 29.558 7.104 17.822 1.00 0.00 H new ATOM 0 HA HIS C 19 31.981 6.801 16.372 1.00 0.00 H new ATOM 0 HB2 HIS C 19 29.738 7.278 15.374 1.00 0.00 H new ATOM 0 HB3 HIS C 19 29.741 8.859 16.129 1.00 0.00 H new ATOM 0 HD2 HIS C 19 30.847 10.777 14.473 1.00 0.00 H new ATOM 0 HE1 HIS C 19 33.254 8.246 12.100 1.00 0.00 H new ATOM 0 HE2 HIS C 19 32.504 10.674 12.426 1.00 0.00 H new ATOM 1419 N PHE C 20 31.586 9.568 18.136 1.00 0.00 N0 ATOM 1420 CA PHE C 20 32.314 10.690 18.715 1.00 0.00 C0 ATOM 1421 C PHE C 20 33.287 10.192 19.773 1.00 0.00 C0 ATOM 1422 O PHE C 20 34.321 10.813 20.015 1.00 0.00 O0 ATOM 1423 CB PHE C 20 31.343 11.693 19.331 1.00 0.00 C0 ATOM 1424 CG PHE C 20 31.219 12.896 18.429 1.00 0.00 C0 ATOM 1425 CD1 PHE C 20 30.455 12.823 17.259 1.00 0.00 C0 ATOM 1426 CD2 PHE C 20 31.870 14.090 18.766 1.00 0.00 C0 ATOM 1427 CE1 PHE C 20 30.339 13.942 16.426 1.00 0.00 C0 ATOM 1428 CE2 PHE C 20 31.755 15.209 17.933 1.00 0.00 C0 ATOM 1429 CZ PHE C 20 30.989 15.133 16.763 1.00 0.00 C0 ATOM 0 H PHE C 20 30.600 9.520 18.392 1.00 0.00 H new ATOM 0 HA PHE C 20 32.874 11.187 17.923 1.00 0.00 H new ATOM 0 HB2 PHE C 20 30.367 11.230 19.472 1.00 0.00 H new ATOM 0 HB3 PHE C 20 31.696 11.999 20.316 1.00 0.00 H new ATOM 0 HD1 PHE C 20 29.954 11.902 16.998 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.461 14.147 19.668 1.00 0.00 H new ATOM 0 HE1 PHE C 20 29.748 13.885 15.524 1.00 0.00 H new ATOM 0 HE2 PHE C 20 32.256 16.130 18.192 1.00 0.00 H new ATOM 0 HZ PHE C 20 30.900 15.996 16.120 1.00 0.00 H new ATOM 1439 N MET C 21 32.955 9.061 20.398 1.00 0.00 N0 ATOM 1440 CA MET C 21 33.823 8.490 21.423 1.00 0.00 C0 ATOM 1441 C MET C 21 35.190 8.127 20.832 1.00 0.00 C0 ATOM 1442 O MET C 21 36.239 8.589 21.311 1.00 0.00 O0 ATOM 1443 CB MET C 21 33.166 7.233 22.000 1.00 0.00 C0 ATOM 1444 CG MET C 21 32.353 7.615 23.241 1.00 0.00 C0 ATOM 1445 SD MET C 21 33.466 7.851 24.649 1.00 0.00 S0 ATOM 1446 CE MET C 21 33.620 6.106 25.109 1.00 0.00 C0 ATOM 0 H MET C 21 32.103 8.530 20.215 1.00 0.00 H new ATOM 0 HA MET C 21 33.969 9.229 22.211 1.00 0.00 H new ATOM 0 HB2 MET C 21 32.519 6.771 21.254 1.00 0.00 H new ATOM 0 HB3 MET C 21 33.927 6.497 22.261 1.00 0.00 H new ATOM 0 HG2 MET C 21 31.791 8.529 23.052 1.00 0.00 H new ATOM 0 HG3 MET C 21 31.626 6.835 23.466 1.00 0.00 H new ATOM 0 HE1 MET C 21 32.988 5.900 25.973 1.00 0.00 H new ATOM 0 HE2 MET C 21 33.306 5.480 24.273 1.00 0.00 H new ATOM 0 HE3 MET C 21 34.658 5.886 25.358 1.00 0.00 H new ATOM 1456 N ALA C 22 35.173 7.309 19.781 1.00 0.00 N0 ATOM 1457 CA ALA C 22 36.413 6.901 19.134 1.00 0.00 C0 ATOM 1458 C ALA C 22 37.119 8.112 18.537 1.00 0.00 C0 ATOM 1459 O ALA C 22 38.341 8.227 18.617 1.00 0.00 O0 ATOM 1460 CB ALA C 22 36.118 5.882 18.035 1.00 0.00 C0 ATOM 0 H ALA C 22 34.326 6.922 19.366 1.00 0.00 H new ATOM 0 HA ALA C 22 37.063 6.445 19.881 1.00 0.00 H new ATOM 0 HB1 ALA C 22 37.051 5.583 17.557 1.00 0.00 H new ATOM 0 HB2 ALA C 22 35.636 5.007 18.470 1.00 0.00 H new ATOM 0 HB3 ALA C 22 35.457 6.329 17.293 1.00 0.00 H new ATOM 1466 N TRP C 23 36.343 9.017 17.946 1.00 0.00 N0 ATOM 1467 CA TRP C 23 36.914 10.218 17.347 1.00 0.00 C0 ATOM 1468 C TRP C 23 37.697 11.012 18.388 1.00 0.00 C0 ATOM 1469 O TRP C 23 38.833 11.419 18.143 1.00 0.00 O0 ATOM 1470 CB TRP C 23 35.799 11.086 16.766 1.00 0.00 C0 ATOM 1471 CG TRP C 23 35.970 11.195 15.286 1.00 0.00 C0 ATOM 1472 CD1 TRP C 23 35.557 10.276 14.384 1.00 0.00 C0 ATOM 1473 CD2 TRP C 23 36.593 12.270 14.522 1.00 0.00 C0 ATOM 1474 NE1 TRP C 23 35.889 10.717 13.114 1.00 0.00 N0 ATOM 1475 CE2 TRP C 23 36.527 11.942 13.147 1.00 0.00 C0 ATOM 1476 CE3 TRP C 23 37.202 13.488 14.886 1.00 0.00 C0 ATOM 1477 CZ2 TRP C 23 37.048 12.789 12.168 1.00 0.00 C0 ATOM 1478 CZ3 TRP C 23 37.726 14.343 13.902 1.00 0.00 C0 ATOM 1479 CH2 TRP C 23 37.649 13.994 12.545 1.00 0.00 C0 ATOM 0 H TRP C 23 35.329 8.943 17.870 1.00 0.00 H new ATOM 0 HA TRP C 23 37.595 9.921 16.549 1.00 0.00 H new ATOM 0 HB2 TRP C 23 34.827 10.651 16.999 1.00 0.00 H new ATOM 0 HB3 TRP C 23 35.822 12.077 17.219 1.00 0.00 H new ATOM 0 HD1 TRP C 23 35.051 9.350 14.616 1.00 0.00 H new ATOM 0 HE1 TRP C 23 35.687 10.200 12.258 1.00 0.00 H new ATOM 0 HE3 TRP C 23 37.266 13.766 15.928 1.00 0.00 H new ATOM 0 HZ2 TRP C 23 36.987 12.515 11.125 1.00 0.00 H new ATOM 0 HZ3 TRP C 23 38.191 15.274 14.192 1.00 0.00 H new ATOM 0 HH2 TRP C 23 38.053 14.655 11.793 1.00 0.00 H new ATOM 1490 N THR C 24 37.080 11.231 19.545 1.00 0.00 N0 ATOM 1491 CA THR C 24 37.724 11.985 20.612 1.00 0.00 C0 ATOM 1492 C THR C 24 39.063 11.353 20.962 1.00 0.00 C0 ATOM 1493 O THR C 24 40.069 12.045 21.099 1.00 0.00 O0 ATOM 1494 CB THR C 24 36.831 11.994 21.854 1.00 0.00 C0 ATOM 1495 OG1 THR C 24 35.590 12.611 21.541 1.00 0.00 O0 ATOM 1496 CG2 THR C 24 37.521 12.770 22.977 1.00 0.00 C0 ATOM 0 H THR C 24 36.141 10.899 19.766 1.00 0.00 H new ATOM 0 HA THR C 24 37.885 13.008 20.271 1.00 0.00 H new ATOM 0 HB THR C 24 36.654 10.969 22.180 1.00 0.00 H new ATOM 0 HG1 THR C 24 35.100 12.054 20.900 1.00 0.00 H new ATOM 0 HG21 THR C 24 36.883 12.775 23.861 1.00 0.00 H new ATOM 0 HG22 THR C 24 38.471 12.293 23.218 1.00 0.00 H new ATOM 0 HG23 THR C 24 37.701 13.795 22.653 1.00 0.00 H new ATOM 1504 N ILE C 25 39.075 10.035 21.096 1.00 0.00 N0 ATOM 1505 CA ILE C 25 40.316 9.326 21.418 1.00 0.00 C0 ATOM 1506 C ILE C 25 41.340 9.470 20.292 1.00 0.00 C0 ATOM 1507 O ILE C 25 42.535 9.647 20.536 1.00 0.00 O0 ATOM 1508 CB ILE C 25 40.021 7.846 21.660 1.00 0.00 C0 ATOM 1509 CG1 ILE C 25 39.245 7.693 22.971 1.00 0.00 C0 ATOM 1510 CG2 ILE C 25 41.335 7.069 21.751 1.00 0.00 C0 ATOM 1511 CD1 ILE C 25 38.686 6.273 23.070 1.00 0.00 C0 ATOM 0 H ILE C 25 38.255 9.437 20.990 1.00 0.00 H new ATOM 0 HA ILE C 25 40.735 9.768 22.322 1.00 0.00 H new ATOM 0 HB ILE C 25 39.427 7.453 20.835 1.00 0.00 H new ATOM 0 HG12 ILE C 25 39.899 7.898 23.819 1.00 0.00 H new ATOM 0 HG13 ILE C 25 38.433 8.419 23.012 1.00 0.00 H new ATOM 0 HG21 ILE C 25 41.123 6.014 21.924 1.00 0.00 H new ATOM 0 HG22 ILE C 25 41.889 7.180 20.819 1.00 0.00 H new ATOM 0 HG23 ILE C 25 41.932 7.459 22.576 1.00 0.00 H new ATOM 0 HD11 ILE C 25 38.134 6.164 24.003 1.00 0.00 H new ATOM 0 HD12 ILE C 25 38.018 6.085 22.229 1.00 0.00 H new ATOM 0 HD13 ILE C 25 39.507 5.556 23.048 1.00 0.00 H new ATOM 1523 N GLY C 26 40.864 9.382 19.061 1.00 0.00 N0 ATOM 1524 CA GLY C 26 41.745 9.493 17.901 1.00 0.00 C0 ATOM 1525 C GLY C 26 42.459 10.840 17.886 1.00 0.00 C0 ATOM 1526 O GLY C 26 43.672 10.910 17.693 1.00 0.00 O0 ATOM 0 H GLY C 26 39.880 9.235 18.836 1.00 0.00 H new ATOM 0 HA2 GLY C 26 42.480 8.688 17.919 1.00 0.00 H new ATOM 0 HA3 GLY C 26 41.165 9.374 16.986 1.00 0.00 H new ATOM 1530 N HIS C 27 41.694 11.908 18.084 1.00 0.00 N0 ATOM 1531 CA HIS C 27 42.259 13.252 18.089 1.00 0.00 C0 ATOM 1532 C HIS C 27 43.255 13.407 19.236 1.00 0.00 C0 ATOM 1533 O HIS C 27 44.293 14.052 19.087 1.00 0.00 O0 ATOM 1534 CB HIS C 27 41.146 14.290 18.231 1.00 0.00 C0 ATOM 1535 CG HIS C 27 41.687 15.652 17.896 1.00 0.00 C0 ATOM 1536 ND1 HIS C 27 42.502 16.360 18.767 1.00 0.00 N0 ATOM 1537 CD2 HIS C 27 41.539 16.451 16.789 1.00 0.00 C0 ATOM 1538 CE1 HIS C 27 42.808 17.529 18.174 1.00 0.00 C0 ATOM 1539 NE2 HIS C 27 42.247 17.635 16.967 1.00 0.00 N0 ATOM 0 H HIS C 27 40.687 11.870 18.242 1.00 0.00 H new ATOM 0 HA HIS C 27 42.780 13.411 17.145 1.00 0.00 H new ATOM 0 HB2 HIS C 27 40.317 14.043 17.568 1.00 0.00 H new ATOM 0 HB3 HIS C 27 40.754 14.282 19.248 1.00 0.00 H new ATOM 0 HD2 HIS C 27 40.960 16.198 15.913 1.00 0.00 H new ATOM 0 HE1 HIS C 27 43.432 18.289 18.620 1.00 0.00 H new ATOM 0 HE2 HIS C 27 42.322 18.416 16.316 1.00 0.00 H new ATOM 1547 N LEU C 28 42.935 12.804 20.377 1.00 0.00 N0 ATOM 1548 CA LEU C 28 43.815 12.875 21.538 1.00 0.00 C0 ATOM 1549 C LEU C 28 45.111 12.127 21.283 1.00 0.00 C0 ATOM 1550 O LEU C 28 46.178 12.568 21.708 1.00 0.00 O0 ATOM 1551 CB LEU C 28 43.107 12.288 22.763 1.00 0.00 C0 ATOM 1552 CG LEU C 28 42.498 13.418 23.601 1.00 0.00 C0 ATOM 1553 CD1 LEU C 28 43.616 14.170 24.331 1.00 0.00 C0 ATOM 1554 CD2 LEU C 28 41.722 14.390 22.690 1.00 0.00 C0 ATOM 0 H LEU C 28 42.081 12.266 20.522 1.00 0.00 H new ATOM 0 HA LEU C 28 44.055 13.922 21.724 1.00 0.00 H new ATOM 0 HB2 LEU C 28 42.326 11.596 22.447 1.00 0.00 H new ATOM 0 HB3 LEU C 28 43.814 11.717 23.365 1.00 0.00 H new ATOM 0 HG LEU C 28 41.809 12.994 24.331 1.00 0.00 H new ATOM 0 HD11 LEU C 28 43.185 14.974 24.927 1.00 0.00 H new ATOM 0 HD12 LEU C 28 44.152 13.481 24.984 1.00 0.00 H new ATOM 0 HD13 LEU C 28 44.308 14.591 23.602 1.00 0.00 H new ATOM 0 HD21 LEU C 28 41.293 15.190 23.293 1.00 0.00 H new ATOM 0 HD22 LEU C 28 42.401 14.817 21.952 1.00 0.00 H new ATOM 0 HD23 LEU C 28 40.923 13.851 22.180 1.00 0.00 H new ATOM 1751 N GLN D 6 9.813 14.130 14.351 1.00 0.00 N0 ATOM 1752 CA GLN D 6 10.457 15.428 14.270 1.00 0.00 C0 ATOM 1753 C GLN D 6 11.664 15.476 15.200 1.00 0.00 C0 ATOM 1754 O GLN D 6 12.644 16.159 14.916 1.00 0.00 O0 ATOM 1755 CB GLN D 6 9.464 16.524 14.663 1.00 0.00 C0 ATOM 1756 CG GLN D 6 10.039 17.889 14.283 1.00 0.00 C0 ATOM 1757 CD GLN D 6 9.529 18.305 12.907 1.00 0.00 C0 ATOM 1758 OE1 GLN D 6 8.360 18.090 12.587 1.00 0.00 O0 ATOM 1759 NE2 GLN D 6 10.338 18.892 12.070 1.00 0.00 N0 ATOM 0 HA GLN D 6 10.791 15.591 13.245 1.00 0.00 H new ATOM 0 HB2 GLN D 6 8.511 16.365 14.158 1.00 0.00 H new ATOM 0 HB3 GLN D 6 9.268 16.485 15.734 1.00 0.00 H new ATOM 0 HG2 GLN D 6 9.753 18.633 15.026 1.00 0.00 H new ATOM 0 HG3 GLN D 6 11.128 17.846 14.278 1.00 0.00 H new ATOM 0 HE21 GLN D 6 11.306 19.070 12.336 1.00 0.00 H new ATOM 0 HE22 GLN D 6 10.002 19.174 11.149 1.00 0.00 H new ATOM 1768 N ILE D 7 11.584 14.752 16.314 1.00 0.00 N0 ATOM 1769 CA ILE D 7 12.679 14.731 17.278 1.00 0.00 C0 ATOM 1770 C ILE D 7 13.924 14.098 16.662 1.00 0.00 C0 ATOM 1771 O ILE D 7 15.050 14.499 16.969 1.00 0.00 O0 ATOM 1772 CB ILE D 7 12.257 13.938 18.522 1.00 0.00 C0 ATOM 1773 CG1 ILE D 7 12.187 12.445 18.184 1.00 0.00 C0 ATOM 1774 CG2 ILE D 7 10.882 14.416 18.996 1.00 0.00 C0 ATOM 1775 CD1 ILE D 7 11.601 11.672 19.365 1.00 0.00 C0 ATOM 0 H ILE D 7 10.781 14.178 16.569 1.00 0.00 H new ATOM 0 HA ILE D 7 12.914 15.757 17.562 1.00 0.00 H new ATOM 0 HB ILE D 7 12.990 14.097 19.313 1.00 0.00 H new ATOM 0 HG12 ILE D 7 11.572 12.292 17.297 1.00 0.00 H new ATOM 0 HG13 ILE D 7 13.183 12.069 17.950 1.00 0.00 H new ATOM 0 HG21 ILE D 7 10.585 13.851 19.880 1.00 0.00 H new ATOM 0 HG22 ILE D 7 10.931 15.477 19.243 1.00 0.00 H new ATOM 0 HG23 ILE D 7 10.150 14.261 18.203 1.00 0.00 H new ATOM 0 HD11 ILE D 7 11.554 10.611 19.118 1.00 0.00 H new ATOM 0 HD12 ILE D 7 12.233 11.813 20.242 1.00 0.00 H new ATOM 0 HD13 ILE D 7 10.597 12.040 19.579 1.00 0.00 H new ATOM 1787 N LEU D 8 13.718 13.110 15.794 1.00 0.00 N0 ATOM 1788 CA LEU D 8 14.826 12.429 15.148 1.00 0.00 C0 ATOM 1789 C LEU D 8 15.430 13.298 14.054 1.00 0.00 C0 ATOM 1790 O LEU D 8 16.636 13.256 13.802 1.00 0.00 O0 ATOM 1791 CB LEU D 8 14.344 11.102 14.550 1.00 0.00 C0 ATOM 1792 CG LEU D 8 15.549 10.286 14.081 1.00 0.00 C0 ATOM 1793 CD1 LEU D 8 16.312 9.752 15.297 1.00 0.00 C0 ATOM 1794 CD2 LEU D 8 15.069 9.115 13.225 1.00 0.00 C0 ATOM 0 H LEU D 8 12.795 12.768 15.526 1.00 0.00 H new ATOM 0 HA LEU D 8 15.593 12.232 15.897 1.00 0.00 H new ATOM 0 HB2 LEU D 8 13.778 10.540 15.293 1.00 0.00 H new ATOM 0 HB3 LEU D 8 13.671 11.291 13.713 1.00 0.00 H new ATOM 0 HG LEU D 8 16.209 10.921 13.490 1.00 0.00 H new ATOM 0 HD11 LEU D 8 17.171 9.171 14.961 1.00 0.00 H new ATOM 0 HD12 LEU D 8 16.656 10.588 15.907 1.00 0.00 H new ATOM 0 HD13 LEU D 8 15.653 9.117 15.890 1.00 0.00 H new ATOM 0 HD21 LEU D 8 15.928 8.533 12.890 1.00 0.00 H new ATOM 0 HD22 LEU D 8 14.408 8.480 13.815 1.00 0.00 H new ATOM 0 HD23 LEU D 8 14.529 9.495 12.358 1.00 0.00 H new ATOM 1806 N SER D 9 14.579 14.093 13.408 1.00 0.00 N0 ATOM 1807 CA SER D 9 15.037 14.979 12.342 1.00 0.00 C0 ATOM 1808 C SER D 9 15.805 16.165 12.920 1.00 0.00 C0 ATOM 1809 O SER D 9 16.863 16.538 12.413 1.00 0.00 O0 ATOM 1810 CB SER D 9 13.846 15.479 11.530 1.00 0.00 C0 ATOM 1811 OG SER D 9 14.316 16.309 10.475 1.00 0.00 O0 ATOM 0 H SER D 9 13.579 14.141 13.602 1.00 0.00 H new ATOM 0 HA SER D 9 15.705 14.416 11.690 1.00 0.00 H new ATOM 0 HB2 SER D 9 13.287 14.636 11.124 1.00 0.00 H new ATOM 0 HB3 SER D 9 13.162 16.036 12.170 1.00 0.00 H new ATOM 0 HG SER D 9 13.555 16.632 9.949 1.00 0.00 H new ATOM 1817 N ILE D 10 15.262 16.749 13.984 1.00 0.00 N0 ATOM 1818 CA ILE D 10 15.900 17.889 14.628 1.00 0.00 C0 ATOM 1819 C ILE D 10 17.238 17.486 15.223 1.00 0.00 C0 ATOM 1820 O ILE D 10 18.220 18.220 15.112 1.00 0.00 O0 ATOM 1821 CB ILE D 10 14.993 18.452 15.724 1.00 0.00 C0 ATOM 1822 CG1 ILE D 10 13.796 19.164 15.080 1.00 0.00 C0 ATOM 1823 CG2 ILE D 10 15.782 19.450 16.582 1.00 0.00 C0 ATOM 1824 CD1 ILE D 10 14.214 20.559 14.590 1.00 0.00 C0 ATOM 0 H ILE D 10 14.387 16.453 14.415 1.00 0.00 H new ATOM 0 HA ILE D 10 16.070 18.658 13.875 1.00 0.00 H new ATOM 0 HB ILE D 10 14.636 17.637 16.354 1.00 0.00 H new ATOM 0 HG12 ILE D 10 13.418 18.574 14.245 1.00 0.00 H new ATOM 0 HG13 ILE D 10 12.984 19.252 15.801 1.00 0.00 H new ATOM 0 HG21 ILE D 10 15.135 19.850 17.362 1.00 0.00 H new ATOM 0 HG22 ILE D 10 16.632 18.944 17.040 1.00 0.00 H new ATOM 0 HG23 ILE D 10 16.141 20.266 15.954 1.00 0.00 H new ATOM 0 HD11 ILE D 10 13.358 21.056 14.134 1.00 0.00 H new ATOM 0 HD12 ILE D 10 14.570 21.150 15.434 1.00 0.00 H new ATOM 0 HD13 ILE D 10 15.011 20.462 13.853 1.00 0.00 H new ATOM 1836 N CYS D 11 17.273 16.319 15.862 1.00 0.00 N0 ATOM 1837 CA CYS D 11 18.507 15.839 16.472 1.00 0.00 C0 ATOM 1838 C CYS D 11 19.574 15.584 15.414 1.00 0.00 C0 ATOM 1839 O CYS D 11 20.704 16.065 15.531 1.00 0.00 O0 ATOM 1840 CB CYS D 11 18.232 14.547 17.239 1.00 0.00 C0 ATOM 1841 SG CYS D 11 17.298 14.924 18.742 1.00 0.00 S0 ATOM 0 H CYS D 11 16.472 15.697 15.969 1.00 0.00 H new ATOM 0 HA CYS D 11 18.873 16.605 17.156 1.00 0.00 H new ATOM 0 HB2 CYS D 11 17.670 13.853 16.614 1.00 0.00 H new ATOM 0 HB3 CYS D 11 19.171 14.057 17.495 1.00 0.00 H new ATOM 0 HG CYS D 11 16.028 14.954 18.467 1.00 0.00 H new ATOM 1847 N SER D 12 19.213 14.823 14.382 1.00 0.00 N0 ATOM 1848 CA SER D 12 20.156 14.511 13.318 1.00 0.00 C0 ATOM 1849 C SER D 12 20.660 15.792 12.668 1.00 0.00 C0 ATOM 1850 O SER D 12 21.837 15.906 12.345 1.00 0.00 O0 ATOM 1851 CB SER D 12 19.478 13.635 12.265 1.00 0.00 C0 ATOM 1852 OG SER D 12 18.405 14.361 11.676 1.00 0.00 O0 ATOM 0 H SER D 12 18.285 14.417 14.263 1.00 0.00 H new ATOM 0 HA SER D 12 21.002 13.974 13.746 1.00 0.00 H new ATOM 0 HB2 SER D 12 20.197 13.341 11.501 1.00 0.00 H new ATOM 0 HB3 SER D 12 19.106 12.718 12.722 1.00 0.00 H new ATOM 0 HG SER D 12 18.046 14.999 12.327 1.00 0.00 H new ATOM 1858 N PHE D 13 19.763 16.753 12.481 1.00 0.00 N0 ATOM 1859 CA PHE D 13 20.133 18.021 11.868 1.00 0.00 C0 ATOM 1860 C PHE D 13 21.198 18.726 12.708 1.00 0.00 C0 ATOM 1861 O PHE D 13 22.187 19.232 12.176 1.00 0.00 O0 ATOM 1862 CB PHE D 13 18.901 18.920 11.748 1.00 0.00 C0 ATOM 1863 CG PHE D 13 19.258 20.169 10.979 1.00 0.00 C0 ATOM 1864 CD1 PHE D 13 19.038 20.226 9.598 1.00 0.00 C0 ATOM 1865 CD2 PHE D 13 19.813 21.269 11.645 1.00 0.00 C0 ATOM 1866 CE1 PHE D 13 19.370 21.382 8.883 1.00 0.00 C0 ATOM 1867 CE2 PHE D 13 20.146 22.425 10.930 1.00 0.00 C0 ATOM 1868 CZ PHE D 13 19.924 22.482 9.549 1.00 0.00 C0 ATOM 0 H PHE D 13 18.780 16.679 12.744 1.00 0.00 H new ATOM 0 HA PHE D 13 20.537 17.823 10.875 1.00 0.00 H new ATOM 0 HB2 PHE D 13 18.097 18.386 11.241 1.00 0.00 H new ATOM 0 HB3 PHE D 13 18.533 19.184 12.739 1.00 0.00 H new ATOM 0 HD1 PHE D 13 18.612 19.377 9.084 1.00 0.00 H new ATOM 0 HD2 PHE D 13 19.984 21.225 12.710 1.00 0.00 H new ATOM 0 HE1 PHE D 13 19.199 21.426 7.818 1.00 0.00 H new ATOM 0 HE2 PHE D 13 20.574 23.273 11.444 1.00 0.00 H new ATOM 0 HZ PHE D 13 20.180 23.374 8.997 1.00 0.00 H new ATOM 1878 N ILE D 14 20.984 18.758 14.018 1.00 0.00 N0 ATOM 1879 CA ILE D 14 21.933 19.403 14.920 1.00 0.00 C0 ATOM 1880 C ILE D 14 23.287 18.701 14.871 1.00 0.00 C0 ATOM 1881 O ILE D 14 24.332 19.344 14.750 1.00 0.00 O0 ATOM 1882 CB ILE D 14 21.392 19.373 16.352 1.00 0.00 C0 ATOM 1883 CG1 ILE D 14 20.163 20.281 16.451 1.00 0.00 C0 ATOM 1884 CG2 ILE D 14 22.468 19.875 17.321 1.00 0.00 C0 ATOM 1885 CD1 ILE D 14 19.445 20.030 17.779 1.00 0.00 C0 ATOM 0 H ILE D 14 20.170 18.349 14.477 1.00 0.00 H new ATOM 0 HA ILE D 14 22.063 20.437 14.600 1.00 0.00 H new ATOM 0 HB ILE D 14 21.117 18.351 16.611 1.00 0.00 H new ATOM 0 HG12 ILE D 14 20.464 21.326 16.381 1.00 0.00 H new ATOM 0 HG13 ILE D 14 19.487 20.087 15.618 1.00 0.00 H new ATOM 0 HG21 ILE D 14 22.080 19.852 18.339 1.00 0.00 H new ATOM 0 HG22 ILE D 14 23.347 19.233 17.253 1.00 0.00 H new ATOM 0 HG23 ILE D 14 22.744 20.897 17.061 1.00 0.00 H new ATOM 0 HD11 ILE D 14 18.571 20.677 17.848 1.00 0.00 H new ATOM 0 HD12 ILE D 14 19.130 18.988 17.831 1.00 0.00 H new ATOM 0 HD13 ILE D 14 20.122 20.246 18.605 1.00 0.00 H new ATOM 1897 N LEU D 15 23.265 17.379 14.973 1.00 0.00 N0 ATOM 1898 CA LEU D 15 24.496 16.599 14.948 1.00 0.00 C0 ATOM 1899 C LEU D 15 25.182 16.719 13.591 1.00 0.00 C0 ATOM 1900 O LEU D 15 26.397 16.576 13.484 1.00 0.00 O0 ATOM 1901 CB LEU D 15 24.188 15.128 15.239 1.00 0.00 C0 ATOM 1902 CG LEU D 15 23.765 14.972 16.702 1.00 0.00 C0 ATOM 1903 CD1 LEU D 15 23.170 13.579 16.915 1.00 0.00 C0 ATOM 1904 CD2 LEU D 15 24.988 15.150 17.611 1.00 0.00 C0 ATOM 0 H LEU D 15 22.414 16.826 15.073 1.00 0.00 H new ATOM 0 HA LEU D 15 25.166 16.989 15.715 1.00 0.00 H new ATOM 0 HB2 LEU D 15 23.394 14.775 14.581 1.00 0.00 H new ATOM 0 HB3 LEU D 15 25.066 14.515 15.036 1.00 0.00 H new ATOM 0 HG LEU D 15 23.018 15.728 16.946 1.00 0.00 H new ATOM 0 HD11 LEU D 15 22.869 13.467 17.957 1.00 0.00 H new ATOM 0 HD12 LEU D 15 22.300 13.452 16.270 1.00 0.00 H new ATOM 0 HD13 LEU D 15 23.916 12.823 16.670 1.00 0.00 H new ATOM 0 HD21 LEU D 15 24.686 15.039 18.653 1.00 0.00 H new ATOM 0 HD22 LEU D 15 25.736 14.395 17.367 1.00 0.00 H new ATOM 0 HD23 LEU D 15 25.412 16.143 17.460 1.00 0.00 H new ATOM 1916 N SER D 16 24.394 16.990 12.559 1.00 0.00 N0 ATOM 1917 CA SER D 16 24.931 17.137 11.214 1.00 0.00 C0 ATOM 1918 C SER D 16 25.734 18.429 11.079 1.00 0.00 C0 ATOM 1919 O SER D 16 26.838 18.440 10.515 1.00 0.00 O0 ATOM 1920 CB SER D 16 23.793 17.132 10.196 1.00 0.00 C0 ATOM 1921 OG SER D 16 24.325 17.323 8.893 1.00 0.00 O0 ATOM 0 H SER D 16 23.384 17.112 12.628 1.00 0.00 H new ATOM 0 HA SER D 16 25.598 16.296 11.023 1.00 0.00 H new ATOM 0 HB2 SER D 16 23.251 16.188 10.245 1.00 0.00 H new ATOM 0 HB3 SER D 16 23.079 17.922 10.429 1.00 0.00 H new ATOM 0 HG SER D 16 23.616 17.634 8.292 1.00 0.00 H new ATOM 1927 N ALA D 17 25.177 19.516 11.608 1.00 0.00 N0 ATOM 1928 CA ALA D 17 25.843 20.811 11.547 1.00 0.00 C0 ATOM 1929 C ALA D 17 27.067 20.834 12.460 1.00 0.00 C0 ATOM 1930 O ALA D 17 28.056 21.519 12.185 1.00 0.00 O0 ATOM 1931 CB ALA D 17 24.870 21.919 11.958 1.00 0.00 C0 ATOM 0 H ALA D 17 24.273 19.525 12.080 1.00 0.00 H new ATOM 0 HA ALA D 17 26.172 20.980 10.522 1.00 0.00 H new ATOM 0 HB1 ALA D 17 25.376 22.883 11.910 1.00 0.00 H new ATOM 0 HB2 ALA D 17 24.016 21.923 11.281 1.00 0.00 H new ATOM 0 HB3 ALA D 17 24.525 21.741 12.976 1.00 0.00 H new ATOM 1937 N LEU D 18 26.999 20.073 13.544 1.00 0.00 N0 ATOM 1938 CA LEU D 18 28.108 20.008 14.488 1.00 0.00 C0 ATOM 1939 C LEU D 18 29.229 19.120 13.958 1.00 0.00 C0 ATOM 1940 O LEU D 18 30.410 19.378 14.220 1.00 0.00 O0 ATOM 1941 CB LEU D 18 27.615 19.476 15.836 1.00 0.00 C0 ATOM 1942 CG LEU D 18 27.370 20.648 16.791 1.00 0.00 C0 ATOM 1943 CD1 LEU D 18 26.179 21.472 16.299 1.00 0.00 C0 ATOM 1944 CD2 LEU D 18 27.070 20.106 18.190 1.00 0.00 C0 ATOM 0 H LEU D 18 26.195 19.496 13.791 1.00 0.00 H new ATOM 0 HA LEU D 18 28.504 21.015 14.618 1.00 0.00 H new ATOM 0 HB2 LEU D 18 26.696 18.906 15.700 1.00 0.00 H new ATOM 0 HB3 LEU D 18 28.352 18.795 16.261 1.00 0.00 H new ATOM 0 HG LEU D 18 28.257 21.280 16.825 1.00 0.00 H new ATOM 0 HD11 LEU D 18 26.007 22.305 16.980 1.00 0.00 H new ATOM 0 HD12 LEU D 18 26.390 21.857 15.301 1.00 0.00 H new ATOM 0 HD13 LEU D 18 25.290 20.842 16.264 1.00 0.00 H new ATOM 0 HD21 LEU D 18 26.895 20.938 18.873 1.00 0.00 H new ATOM 0 HD22 LEU D 18 26.183 19.474 18.153 1.00 0.00 H new ATOM 0 HD23 LEU D 18 27.918 19.520 18.543 1.00 0.00 H new ATOM 1956 N HIS D 19 28.854 18.084 13.207 1.00 0.00 N0 ATOM 1957 CA HIS D 19 29.832 17.168 12.640 1.00 0.00 C0 ATOM 1958 C HIS D 19 30.679 17.879 11.591 1.00 0.00 C0 ATOM 1959 O HIS D 19 31.910 17.788 11.605 1.00 0.00 O0 ATOM 1960 CB HIS D 19 29.121 15.965 12.017 1.00 0.00 C0 ATOM 1961 CG HIS D 19 30.144 14.991 11.509 1.00 0.00 C0 ATOM 1962 ND1 HIS D 19 31.002 14.309 12.360 1.00 0.00 N0 ATOM 1963 CD2 HIS D 19 30.460 14.569 10.243 1.00 0.00 C0 ATOM 1964 CE1 HIS D 19 31.784 13.521 11.600 1.00 0.00 C0 ATOM 1965 NE2 HIS D 19 31.496 13.641 10.301 1.00 0.00 N0 ATOM 0 H HIS D 19 27.884 17.863 12.981 1.00 0.00 H new ATOM 0 HA HIS D 19 30.488 16.818 13.437 1.00 0.00 H new ATOM 0 HB2 HIS D 19 28.480 15.484 12.756 1.00 0.00 H new ATOM 0 HB3 HIS D 19 28.477 16.292 11.201 1.00 0.00 H new ATOM 0 HD2 HIS D 19 29.978 14.906 9.337 1.00 0.00 H new ATOM 0 HE1 HIS D 19 32.551 12.870 11.992 1.00 0.00 H new ATOM 0 HE2 HIS D 19 31.939 13.157 9.520 1.00 0.00 H new ATOM 1973 N PHE D 20 30.007 18.605 10.698 1.00 0.00 N0 ATOM 1974 CA PHE D 20 30.710 19.342 9.655 1.00 0.00 C0 ATOM 1975 C PHE D 20 31.459 20.520 10.261 1.00 0.00 C0 ATOM 1976 O PHE D 20 32.480 20.951 9.732 1.00 0.00 O0 ATOM 1977 CB PHE D 20 29.725 19.832 8.596 1.00 0.00 C0 ATOM 1978 CG PHE D 20 29.846 18.972 7.358 1.00 0.00 C0 ATOM 1979 CD1 PHE D 20 29.289 17.689 7.334 1.00 0.00 C0 ATOM 1980 CD2 PHE D 20 30.519 19.465 6.233 1.00 0.00 C0 ATOM 1981 CE1 PHE D 20 29.407 16.895 6.184 1.00 0.00 C0 ATOM 1982 CE2 PHE D 20 30.635 18.673 5.083 1.00 0.00 C0 ATOM 1983 CZ PHE D 20 30.081 17.389 5.056 1.00 0.00 C0 ATOM 0 H PHE D 20 28.991 18.697 10.677 1.00 0.00 H new ATOM 0 HA PHE D 20 31.429 18.675 9.179 1.00 0.00 H new ATOM 0 HB2 PHE D 20 28.707 19.789 8.983 1.00 0.00 H new ATOM 0 HB3 PHE D 20 29.929 20.874 8.349 1.00 0.00 H new ATOM 0 HD1 PHE D 20 28.768 17.310 8.201 1.00 0.00 H new ATOM 0 HD2 PHE D 20 30.949 20.456 6.252 1.00 0.00 H new ATOM 0 HE1 PHE D 20 28.979 15.903 6.166 1.00 0.00 H new ATOM 0 HE2 PHE D 20 31.153 19.055 4.216 1.00 0.00 H new ATOM 0 HZ PHE D 20 30.172 16.779 4.169 1.00 0.00 H new ATOM 1993 N MET D 21 30.942 21.039 11.375 1.00 0.00 N0 ATOM 1994 CA MET D 21 31.584 22.170 12.041 1.00 0.00 C0 ATOM 1995 C MET D 21 32.999 21.795 12.496 1.00 0.00 C0 ATOM 1996 O MET D 21 33.987 22.453 12.134 1.00 0.00 O0 ATOM 1997 CB MET D 21 30.748 22.584 13.255 1.00 0.00 C0 ATOM 1998 CG MET D 21 29.766 23.684 12.847 1.00 0.00 C0 ATOM 1999 SD MET D 21 30.640 25.266 12.743 1.00 0.00 S0 ATOM 2000 CE MET D 21 30.586 25.669 14.508 1.00 0.00 C0 ATOM 0 H MET D 21 30.094 20.700 11.829 1.00 0.00 H new ATOM 0 HA MET D 21 31.653 23.000 11.338 1.00 0.00 H new ATOM 0 HB2 MET D 21 30.205 21.724 13.646 1.00 0.00 H new ATOM 0 HB3 MET D 21 31.399 22.940 14.054 1.00 0.00 H new ATOM 0 HG2 MET D 21 29.313 23.443 11.885 1.00 0.00 H new ATOM 0 HG3 MET D 21 28.956 23.751 13.573 1.00 0.00 H new ATOM 0 HE1 MET D 21 29.841 26.446 14.681 1.00 0.00 H new ATOM 0 HE2 MET D 21 30.320 24.778 15.077 1.00 0.00 H new ATOM 0 HE3 MET D 21 31.564 26.026 14.830 1.00 0.00 H new ATOM 2010 N ALA D 22 33.090 20.722 13.281 1.00 0.00 N0 ATOM 2011 CA ALA D 22 34.386 20.265 13.770 1.00 0.00 C0 ATOM 2012 C ALA D 22 35.272 19.842 12.606 1.00 0.00 C0 ATOM 2013 O ALA D 22 36.470 20.121 12.593 1.00 0.00 O0 ATOM 2014 CB ALA D 22 34.204 19.094 14.729 1.00 0.00 C0 ATOM 0 H ALA D 22 32.294 20.162 13.587 1.00 0.00 H new ATOM 0 HA ALA D 22 34.865 21.089 14.299 1.00 0.00 H new ATOM 0 HB1 ALA D 22 35.179 18.762 15.087 1.00 0.00 H new ATOM 0 HB2 ALA D 22 33.594 19.409 15.576 1.00 0.00 H new ATOM 0 HB3 ALA D 22 33.709 18.273 14.211 1.00 0.00 H new ATOM 2020 N TRP D 23 34.675 19.175 11.622 1.00 0.00 N0 ATOM 2021 CA TRP D 23 35.427 18.726 10.455 1.00 0.00 C0 ATOM 2022 C TRP D 23 36.082 19.914 9.756 1.00 0.00 C0 ATOM 2023 O TRP D 23 37.269 19.876 9.436 1.00 0.00 O0 ATOM 2024 CB TRP D 23 34.491 18.006 9.482 1.00 0.00 C0 ATOM 2025 CG TRP D 23 34.918 16.581 9.344 1.00 0.00 C0 ATOM 2026 CD1 TRP D 23 34.598 15.585 10.201 1.00 0.00 C0 ATOM 2027 CD2 TRP D 23 35.735 15.977 8.299 1.00 0.00 C0 ATOM 2028 NE1 TRP D 23 35.169 14.408 9.749 1.00 0.00 N0 ATOM 2029 CE2 TRP D 23 35.878 14.598 8.580 1.00 0.00 C0 ATOM 2030 CE3 TRP D 23 36.361 16.485 7.145 1.00 0.00 C0 ATOM 2031 CZ2 TRP D 23 36.616 13.754 7.749 1.00 0.00 C0 ATOM 2032 CZ3 TRP D 23 37.102 15.640 6.305 1.00 0.00 C0 ATOM 2033 CH2 TRP D 23 37.230 14.276 6.607 1.00 0.00 C0 ATOM 0 H TRP D 23 33.684 18.936 11.609 1.00 0.00 H new ATOM 0 HA TRP D 23 36.206 18.038 10.783 1.00 0.00 H new ATOM 0 HB2 TRP D 23 33.464 18.056 9.844 1.00 0.00 H new ATOM 0 HB3 TRP D 23 34.510 18.499 8.510 1.00 0.00 H new ATOM 0 HD1 TRP D 23 33.996 15.691 11.091 1.00 0.00 H new ATOM 0 HE1 TRP D 23 35.077 13.509 10.222 1.00 0.00 H new ATOM 0 HE3 TRP D 23 36.270 17.534 6.904 1.00 0.00 H new ATOM 0 HZ2 TRP D 23 36.712 12.705 7.987 1.00 0.00 H new ATOM 0 HZ3 TRP D 23 37.576 16.042 5.422 1.00 0.00 H new ATOM 0 HH2 TRP D 23 37.802 13.630 5.958 1.00 0.00 H new ATOM 2044 N THR D 24 35.299 20.962 9.518 1.00 0.00 N0 ATOM 2045 CA THR D 24 35.811 22.148 8.847 1.00 0.00 C0 ATOM 2046 C THR D 24 37.024 22.685 9.595 1.00 0.00 C0 ATOM 2047 O THR D 24 38.044 23.010 8.991 1.00 0.00 O0 ATOM 2048 CB THR D 24 34.727 23.227 8.802 1.00 0.00 C0 ATOM 2049 OG1 THR D 24 33.604 22.739 8.080 1.00 0.00 O0 ATOM 2050 CG2 THR D 24 35.274 24.476 8.110 1.00 0.00 C0 ATOM 0 H THR D 24 34.314 21.013 9.779 1.00 0.00 H new ATOM 0 HA THR D 24 36.101 21.880 7.831 1.00 0.00 H new ATOM 0 HB THR D 24 34.426 23.480 9.818 1.00 0.00 H new ATOM 0 HG1 THR D 24 33.218 21.973 8.554 1.00 0.00 H new ATOM 0 HG21 THR D 24 34.500 25.243 8.079 1.00 0.00 H new ATOM 0 HG22 THR D 24 36.135 24.851 8.663 1.00 0.00 H new ATOM 0 HG23 THR D 24 35.577 24.225 7.093 1.00 0.00 H new ATOM 2058 N ILE D 25 36.913 22.766 10.913 1.00 0.00 N0 ATOM 2059 CA ILE D 25 38.026 23.257 11.729 1.00 0.00 C0 ATOM 2060 C ILE D 25 39.230 22.319 11.635 1.00 0.00 C0 ATOM 2061 O ILE D 25 40.378 22.757 11.567 1.00 0.00 O0 ATOM 2062 CB ILE D 25 37.585 23.387 13.186 1.00 0.00 C0 ATOM 2063 CG1 ILE D 25 36.591 24.543 13.313 1.00 0.00 C0 ATOM 2064 CG2 ILE D 25 38.803 23.662 14.068 1.00 0.00 C0 ATOM 2065 CD1 ILE D 25 35.917 24.490 14.685 1.00 0.00 C0 ATOM 0 H ILE D 25 36.079 22.504 11.439 1.00 0.00 H new ATOM 0 HA ILE D 25 38.322 24.235 11.349 1.00 0.00 H new ATOM 0 HB ILE D 25 37.110 22.460 13.506 1.00 0.00 H new ATOM 0 HG12 ILE D 25 37.106 25.495 13.186 1.00 0.00 H new ATOM 0 HG13 ILE D 25 35.841 24.479 12.525 1.00 0.00 H new ATOM 0 HG21 ILE D 25 38.486 23.754 15.107 1.00 0.00 H new ATOM 0 HG22 ILE D 25 39.512 22.839 13.976 1.00 0.00 H new ATOM 0 HG23 ILE D 25 39.280 24.589 13.750 1.00 0.00 H new ATOM 0 HD11 ILE D 25 35.209 25.314 14.775 1.00 0.00 H new ATOM 0 HD12 ILE D 25 35.388 23.543 14.794 1.00 0.00 H new ATOM 0 HD13 ILE D 25 36.673 24.575 15.465 1.00 0.00 H new ATOM 2077 N GLY D 26 38.954 21.026 11.642 1.00 0.00 N0 ATOM 2078 CA GLY D 26 40.019 20.026 11.567 1.00 0.00 C0 ATOM 2079 C GLY D 26 40.825 20.185 10.281 1.00 0.00 C0 ATOM 2080 O GLY D 26 42.056 20.191 10.307 1.00 0.00 O0 ATOM 0 H GLY D 26 38.011 20.641 11.698 1.00 0.00 H new ATOM 0 HA2 GLY D 26 40.679 20.126 12.429 1.00 0.00 H new ATOM 0 HA3 GLY D 26 39.588 19.026 11.610 1.00 0.00 H new ATOM 2084 N HIS D 27 40.122 20.306 9.161 1.00 0.00 N0 ATOM 2085 CA HIS D 27 40.781 20.462 7.871 1.00 0.00 C0 ATOM 2086 C HIS D 27 41.582 21.760 7.830 1.00 0.00 C0 ATOM 2087 O HIS D 27 42.677 21.809 7.270 1.00 0.00 O0 ATOM 2088 CB HIS D 27 39.743 20.463 6.749 1.00 0.00 C0 ATOM 2089 CG HIS D 27 40.434 20.277 5.426 1.00 0.00 C0 ATOM 2090 ND1 HIS D 27 41.145 21.296 4.811 1.00 0.00 N0 ATOM 2091 CD2 HIS D 27 40.532 19.194 4.587 1.00 0.00 C0 ATOM 2092 CE1 HIS D 27 41.634 20.811 3.656 1.00 0.00 C0 ATOM 2093 NE2 HIS D 27 41.290 19.533 3.471 1.00 0.00 N0 ATOM 0 H HIS D 27 39.103 20.299 9.120 1.00 0.00 H new ATOM 0 HA HIS D 27 41.464 19.624 7.731 1.00 0.00 H new ATOM 0 HB2 HIS D 27 39.019 19.664 6.908 1.00 0.00 H new ATOM 0 HB3 HIS D 27 39.189 21.401 6.753 1.00 0.00 H new ATOM 0 HD2 HIS D 27 40.088 18.226 4.767 1.00 0.00 H new ATOM 0 HE1 HIS D 27 42.232 21.384 2.963 1.00 0.00 H new ATOM 0 HE2 HIS D 27 41.531 18.935 2.681 1.00 0.00 H new ATOM 2101 N LEU D 28 41.033 22.808 8.434 1.00 0.00 N0 ATOM 2102 CA LEU D 28 41.709 24.099 8.466 1.00 0.00 C0 ATOM 2103 C LEU D 28 42.972 24.028 9.307 1.00 0.00 C0 ATOM 2104 O LEU D 28 43.985 24.637 8.964 1.00 0.00 O0 ATOM 2105 CB LEU D 28 40.769 25.168 9.034 1.00 0.00 C0 ATOM 2106 CG LEU D 28 40.108 25.939 7.887 1.00 0.00 C0 ATOM 2107 CD1 LEU D 28 41.141 26.872 7.245 1.00 0.00 C0 ATOM 2108 CD2 LEU D 28 39.566 24.956 6.832 1.00 0.00 C0 ATOM 0 H LEU D 28 40.128 22.790 8.905 1.00 0.00 H new ATOM 0 HA LEU D 28 41.987 24.365 7.446 1.00 0.00 H new ATOM 0 HB2 LEU D 28 40.007 24.701 9.658 1.00 0.00 H new ATOM 0 HB3 LEU D 28 41.326 25.854 9.672 1.00 0.00 H new ATOM 0 HG LEU D 28 39.277 26.526 8.278 1.00 0.00 H new ATOM 0 HD11 LEU D 28 40.675 27.423 6.428 1.00 0.00 H new ATOM 0 HD12 LEU D 28 41.511 27.574 7.992 1.00 0.00 H new ATOM 0 HD13 LEU D 28 41.972 26.283 6.858 1.00 0.00 H new ATOM 0 HD21 LEU D 28 39.098 25.514 6.021 1.00 0.00 H new ATOM 0 HD22 LEU D 28 40.387 24.359 6.435 1.00 0.00 H new ATOM 0 HD23 LEU D 28 38.829 24.298 7.292 1.00 0.00 H new