USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 13 MET CE :methyl -144:sc= -1.94 (180deg=-3.9!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.987 (180deg=-1.38) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0957 USER MOD Single : A 27 ASN : amide:sc= -3.25 K(o=-3.3,f=-4!) USER MOD Single : A 31 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 106:sc= 0.166 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -43:sc= 0.053 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -86:sc= -1.18 USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= 0.692 (180deg=-0.367) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.192 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.69 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.462 USER MOD Single : A 110 MET CE :methyl -128:sc= -1.07 (180deg=-8.49!) USER MOD Single : A 112 SER OG : rot -91:sc= 0.0686 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 14.561 11.483 -1.443 1.00 53.44 N ATOM 124 CA PRO A 11 15.040 10.450 -2.366 1.00 54.45 C ATOM 125 C PRO A 11 16.076 9.534 -1.723 1.00 45.03 C ATOM 126 O PRO A 11 16.332 8.432 -2.210 1.00 23.34 O ATOM 127 CB PRO A 11 15.674 11.258 -3.502 1.00 72.55 C ATOM 128 CG PRO A 11 16.063 12.553 -2.876 1.00 3.34 C ATOM 129 CD PRO A 11 15.031 12.827 -1.817 1.00 61.21 C ATOM 0 HA PRO A 11 14.237 9.788 -2.690 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.540 10.744 -3.918 1.00 72.55 H new ATOM 0 HB3 PRO A 11 14.970 11.410 -4.320 1.00 72.55 H new ATOM 0 HG2 PRO A 11 17.061 12.493 -2.442 1.00 3.34 H new ATOM 0 HG3 PRO A 11 16.085 13.353 -3.616 1.00 3.34 H new ATOM 0 HD2 PRO A 11 15.460 13.354 -0.965 1.00 61.21 H new ATOM 0 HD3 PRO A 11 14.218 13.445 -2.198 1.00 61.21 H new ATOM 137 N LEU A 12 16.667 9.994 -0.626 1.00 63.12 N ATOM 138 CA LEU A 12 17.674 9.214 0.085 1.00 52.33 C ATOM 139 C LEU A 12 17.101 8.627 1.370 1.00 2.43 C ATOM 140 O LEU A 12 16.717 9.359 2.281 1.00 13.02 O ATOM 141 CB LEU A 12 18.889 10.087 0.406 1.00 40.22 C ATOM 142 CG LEU A 12 20.172 9.341 0.774 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.048 8.711 2.153 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.492 8.282 -0.271 1.00 15.23 C ATOM 0 H LEU A 12 16.466 10.903 -0.209 1.00 63.12 H new ATOM 0 HA LEU A 12 17.985 8.392 -0.560 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.095 10.720 -0.457 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.628 10.749 1.231 1.00 40.22 H new ATOM 0 HG LEU A 12 20.992 10.059 0.798 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.971 8.185 2.397 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.868 9.490 2.894 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.216 8.006 2.158 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.408 7.761 0.007 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.671 7.567 -0.328 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.626 8.758 -1.242 1.00 15.23 H new ATOM 156 N MET A 13 17.048 7.300 1.436 1.00 61.20 N ATOM 157 CA MET A 13 16.526 6.614 2.612 1.00 22.34 C ATOM 158 C MET A 13 17.366 5.386 2.943 1.00 2.51 C ATOM 159 O MET A 13 17.939 4.756 2.054 1.00 53.15 O ATOM 160 CB MET A 13 15.069 6.204 2.383 1.00 74.34 C ATOM 161 CG MET A 13 14.892 5.183 1.271 1.00 62.10 C ATOM 162 SD MET A 13 13.623 3.958 1.647 1.00 31.34 S ATOM 163 CE MET A 13 14.324 3.180 3.100 1.00 60.31 C ATOM 0 H MET A 13 17.360 6.679 0.689 1.00 61.20 H new ATOM 0 HA MET A 13 16.575 7.302 3.456 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.666 5.794 3.309 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.483 7.092 2.146 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.630 5.699 0.347 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.840 4.675 1.095 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.092 2.115 3.090 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.406 3.315 3.099 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.902 3.635 3.996 1.00 60.31 H new ATOM 173 N VAL A 14 17.435 5.050 4.227 1.00 21.22 N ATOM 174 CA VAL A 14 18.205 3.896 4.675 1.00 2.34 C ATOM 175 C VAL A 14 17.298 2.699 4.937 1.00 34.21 C ATOM 176 O VAL A 14 16.182 2.848 5.432 1.00 35.53 O ATOM 177 CB VAL A 14 18.999 4.214 5.956 1.00 44.00 C ATOM 178 CG1 VAL A 14 19.776 2.992 6.421 1.00 51.25 C ATOM 179 CG2 VAL A 14 19.932 5.393 5.725 1.00 44.55 C ATOM 0 H VAL A 14 16.967 5.561 4.976 1.00 21.22 H new ATOM 0 HA VAL A 14 18.903 3.651 3.875 1.00 2.34 H new ATOM 0 HB VAL A 14 18.294 4.486 6.741 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.330 3.236 7.327 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.082 2.177 6.629 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.473 2.685 5.641 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.485 5.604 6.640 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.632 5.152 4.925 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.348 6.269 5.444 1.00 44.55 H new ATOM 189 N LYS A 15 17.787 1.509 4.602 1.00 20.03 N ATOM 190 CA LYS A 15 17.023 0.283 4.801 1.00 34.30 C ATOM 191 C LYS A 15 17.915 -0.833 5.337 1.00 62.02 C ATOM 192 O LYS A 15 18.786 -1.338 4.630 1.00 61.44 O ATOM 193 CB LYS A 15 16.373 -0.155 3.488 1.00 53.00 C ATOM 194 CG LYS A 15 15.739 -1.534 3.554 1.00 15.14 C ATOM 195 CD LYS A 15 14.565 -1.562 4.517 1.00 41.01 C ATOM 196 CE LYS A 15 14.931 -2.252 5.823 1.00 63.11 C ATOM 197 NZ LYS A 15 13.818 -3.098 6.334 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.710 1.368 4.191 1.00 20.03 H new ATOM 0 HA LYS A 15 16.243 0.485 5.535 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.611 0.573 3.209 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.125 -0.148 2.699 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.403 -1.829 2.560 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.485 -2.264 3.867 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.237 -0.543 4.722 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.725 -2.080 4.054 1.00 41.01 H new ATOM 0 HE2 LYS A 15 15.816 -2.869 5.672 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.189 -1.502 6.570 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 13.963 -3.288 7.346 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 12.914 -2.601 6.200 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 13.798 -3.998 5.813 1.00 53.54 H new ATOM 211 N VAL A 16 17.690 -1.212 6.591 1.00 25.51 N ATOM 212 CA VAL A 16 18.472 -2.270 7.221 1.00 72.30 C ATOM 213 C VAL A 16 17.569 -3.378 7.751 1.00 42.30 C ATOM 214 O VAL A 16 16.698 -3.138 8.588 1.00 53.32 O ATOM 215 CB VAL A 16 19.327 -1.723 8.378 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.128 -2.841 9.027 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.246 -0.616 7.884 1.00 21.20 C ATOM 0 H VAL A 16 16.973 -0.803 7.190 1.00 25.51 H new ATOM 0 HA VAL A 16 19.131 -2.677 6.454 1.00 72.30 H new ATOM 0 HB VAL A 16 18.660 -1.303 9.131 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.726 -2.434 9.843 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.447 -3.597 9.418 1.00 11.20 H new ATOM 0 HG13 VAL A 16 20.786 -3.295 8.286 1.00 11.20 H new ATOM 0 HG21 VAL A 16 20.843 -0.241 8.715 1.00 21.20 H new ATOM 0 HG22 VAL A 16 20.906 -1.009 7.111 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.648 0.196 7.471 1.00 21.20 H new ATOM 227 N LEU A 17 17.783 -4.594 7.258 1.00 45.53 N ATOM 228 CA LEU A 17 16.988 -5.741 7.682 1.00 34.25 C ATOM 229 C LEU A 17 17.868 -6.973 7.868 1.00 35.30 C ATOM 230 O LEU A 17 18.907 -7.111 7.221 1.00 14.24 O ATOM 231 CB LEU A 17 15.890 -6.035 6.657 1.00 4.15 C ATOM 232 CG LEU A 17 16.306 -6.881 5.453 1.00 21.13 C ATOM 233 CD1 LEU A 17 15.765 -8.296 5.583 1.00 54.51 C ATOM 234 CD2 LEU A 17 15.823 -6.240 4.159 1.00 44.01 C ATOM 0 H LEU A 17 18.500 -4.810 6.565 1.00 45.53 H new ATOM 0 HA LEU A 17 16.526 -5.498 8.639 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.071 -6.542 7.167 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.498 -5.086 6.291 1.00 4.15 H new ATOM 0 HG LEU A 17 17.395 -6.931 5.426 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.071 -8.883 4.717 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.159 -8.754 6.490 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.677 -8.266 5.635 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.128 -6.855 3.312 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.736 -6.159 4.176 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.259 -5.246 4.061 1.00 44.01 H new ATOM 246 N ASP A 18 17.445 -7.868 8.754 1.00 35.22 N ATOM 247 CA ASP A 18 18.192 -9.091 9.024 1.00 62.01 C ATOM 248 C ASP A 18 17.905 -10.148 7.961 1.00 31.11 C ATOM 249 O ASP A 18 16.749 -10.481 7.699 1.00 73.51 O ATOM 250 CB ASP A 18 17.841 -9.634 10.410 1.00 12.00 C ATOM 251 CG ASP A 18 18.673 -9.001 11.507 1.00 12.43 C ATOM 252 OD1 ASP A 18 18.843 -7.763 11.484 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.154 -9.741 12.389 1.00 41.53 O ATOM 0 H ASP A 18 16.588 -7.769 9.298 1.00 35.22 H new ATOM 0 HA ASP A 18 19.255 -8.852 8.996 1.00 62.01 H new ATOM 0 HB2 ASP A 18 16.785 -9.455 10.610 1.00 12.00 H new ATOM 0 HB3 ASP A 18 17.990 -10.714 10.422 1.00 12.00 H new ATOM 258 N ALA A 19 18.964 -10.672 7.354 1.00 34.14 N ATOM 259 CA ALA A 19 18.826 -11.691 6.321 1.00 74.24 C ATOM 260 C ALA A 19 18.626 -13.072 6.937 1.00 42.11 C ATOM 261 O ALA A 19 18.503 -14.069 6.224 1.00 25.21 O ATOM 262 CB ALA A 19 20.045 -11.689 5.411 1.00 45.22 C ATOM 0 H ALA A 19 19.927 -10.408 7.560 1.00 34.14 H new ATOM 0 HA ALA A 19 17.943 -11.454 5.727 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.928 -12.455 4.644 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.143 -10.713 4.936 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.939 -11.898 5.999 1.00 45.22 H new ATOM 268 N VAL A 20 18.597 -13.125 8.265 1.00 34.04 N ATOM 269 CA VAL A 20 18.412 -14.383 8.977 1.00 21.35 C ATOM 270 C VAL A 20 16.932 -14.697 9.165 1.00 44.04 C ATOM 271 O VAL A 20 16.520 -15.856 9.107 1.00 43.12 O ATOM 272 CB VAL A 20 19.098 -14.355 10.355 1.00 5.35 C ATOM 273 CG1 VAL A 20 18.864 -15.663 11.096 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.586 -14.078 10.204 1.00 3.13 C ATOM 0 H VAL A 20 18.699 -12.310 8.870 1.00 34.04 H new ATOM 0 HA VAL A 20 18.871 -15.161 8.367 1.00 21.35 H new ATOM 0 HB VAL A 20 18.659 -13.549 10.943 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.357 -15.624 12.068 1.00 34.41 H new ATOM 0 HG12 VAL A 20 17.794 -15.815 11.237 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.274 -16.489 10.515 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.055 -14.062 11.188 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.042 -14.861 9.598 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.729 -13.113 9.718 1.00 3.13 H new ATOM 284 N ARG A 21 16.136 -13.656 9.389 1.00 13.31 N ATOM 285 CA ARG A 21 14.701 -13.820 9.586 1.00 41.52 C ATOM 286 C ARG A 21 13.916 -13.101 8.493 1.00 40.44 C ATOM 287 O ARG A 21 12.780 -13.462 8.190 1.00 1.41 O ATOM 288 CB ARG A 21 14.289 -13.286 10.959 1.00 42.31 C ATOM 289 CG ARG A 21 15.253 -13.662 12.072 1.00 55.31 C ATOM 290 CD ARG A 21 16.287 -12.572 12.304 1.00 11.13 C ATOM 291 NE ARG A 21 16.999 -12.752 13.568 1.00 51.30 N ATOM 292 CZ ARG A 21 16.485 -12.433 14.751 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.266 -11.922 14.833 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.194 -12.627 15.856 1.00 1.52 N ATOM 0 H ARG A 21 16.461 -12.690 9.438 1.00 13.31 H new ATOM 0 HA ARG A 21 14.472 -14.884 9.533 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.211 -12.200 10.909 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.297 -13.666 11.205 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.697 -13.839 12.992 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.757 -14.595 11.819 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.003 -12.570 11.482 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.795 -11.599 12.300 1.00 11.13 H new ATOM 0 HE ARG A 21 17.941 -13.143 13.540 1.00 51.30 H new ATOM 0 HH11 ARG A 21 14.718 -11.772 13.986 1.00 72.23 H new ATOM 0 HH12 ARG A 21 14.875 -11.679 15.743 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.133 -13.021 15.797 1.00 1.52 H new ATOM 0 HH22 ARG A 21 16.800 -12.382 16.764 1.00 1.52 H new ATOM 308 N GLY A 22 14.532 -12.081 7.902 1.00 74.32 N ATOM 309 CA GLY A 22 13.877 -11.328 6.850 1.00 71.21 C ATOM 310 C GLY A 22 13.150 -10.106 7.377 1.00 53.11 C ATOM 311 O GLY A 22 12.480 -9.401 6.623 1.00 34.42 O ATOM 0 H GLY A 22 15.473 -11.763 8.134 1.00 74.32 H new ATOM 0 HA2 GLY A 22 14.619 -11.016 6.115 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.168 -11.974 6.333 1.00 71.21 H new ATOM 315 N SER A 23 13.282 -9.856 8.676 1.00 51.51 N ATOM 316 CA SER A 23 12.627 -8.715 9.305 1.00 3.34 C ATOM 317 C SER A 23 13.597 -7.546 9.450 1.00 32.43 C ATOM 318 O SER A 23 14.815 -7.702 9.368 1.00 43.34 O ATOM 319 CB SER A 23 12.075 -9.108 10.676 1.00 71.44 C ATOM 320 OG SER A 23 12.655 -10.318 11.131 1.00 35.11 O ATOM 0 H SER A 23 13.836 -10.428 9.313 1.00 51.51 H new ATOM 0 HA SER A 23 11.801 -8.403 8.666 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.275 -8.313 11.394 1.00 71.44 H new ATOM 0 HB3 SER A 23 10.992 -9.219 10.617 1.00 71.44 H new ATOM 0 HG SER A 23 12.287 -10.547 12.010 1.00 35.11 H new ATOM 326 N PRO A 24 13.045 -6.344 9.673 1.00 34.11 N ATOM 327 CA PRO A 24 13.841 -5.124 9.836 1.00 75.01 C ATOM 328 C PRO A 24 14.625 -5.114 11.144 1.00 32.44 C ATOM 329 O PRO A 24 14.193 -5.689 12.142 1.00 65.23 O ATOM 330 CB PRO A 24 12.790 -4.012 9.834 1.00 55.43 C ATOM 331 CG PRO A 24 11.538 -4.672 10.297 1.00 2.33 C ATOM 332 CD PRO A 24 11.600 -6.084 9.783 1.00 25.13 C ATOM 0 HA PRO A 24 14.593 -5.020 9.054 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.076 -3.196 10.498 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.667 -3.585 8.839 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.467 -4.655 11.385 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.659 -4.155 9.912 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.117 -6.782 10.467 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.099 -6.183 8.820 1.00 25.13 H new ATOM 340 N ALA A 25 15.780 -4.457 11.131 1.00 41.01 N ATOM 341 CA ALA A 25 16.623 -4.370 12.317 1.00 63.44 C ATOM 342 C ALA A 25 16.318 -3.107 13.115 1.00 30.11 C ATOM 343 O ALA A 25 16.179 -2.022 12.550 1.00 75.14 O ATOM 344 CB ALA A 25 18.092 -4.407 11.924 1.00 64.11 C ATOM 0 H ALA A 25 16.153 -3.977 10.312 1.00 41.01 H new ATOM 0 HA ALA A 25 16.406 -5.230 12.951 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.710 -4.341 12.819 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.306 -5.340 11.403 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.314 -3.566 11.267 1.00 64.11 H new ATOM 350 N ILE A 26 16.215 -3.255 14.432 1.00 43.00 N ATOM 351 CA ILE A 26 15.928 -2.126 15.308 1.00 13.15 C ATOM 352 C ILE A 26 17.170 -1.701 16.082 1.00 11.44 C ATOM 353 O ILE A 26 17.935 -2.538 16.559 1.00 75.40 O ATOM 354 CB ILE A 26 14.803 -2.460 16.306 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.443 -2.068 15.725 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.044 -1.752 17.630 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.063 -0.629 15.995 1.00 11.12 C ATOM 0 H ILE A 26 16.326 -4.146 14.916 1.00 43.00 H new ATOM 0 HA ILE A 26 15.603 -1.305 14.669 1.00 13.15 H new ATOM 0 HB ILE A 26 14.803 -3.535 16.486 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.455 -2.236 14.648 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.677 -2.722 16.141 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.241 -1.997 18.325 1.00 30.32 H new ATOM 0 HG22 ILE A 26 15.997 -2.076 18.048 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.067 -0.674 17.468 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.088 -0.421 15.554 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.019 -0.460 17.071 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.808 0.033 15.554 1.00 11.12 H new ATOM 369 N ASN A 27 17.365 -0.391 16.205 1.00 72.15 N ATOM 370 CA ASN A 27 18.514 0.146 16.924 1.00 74.24 C ATOM 371 C ASN A 27 19.819 -0.255 16.243 1.00 65.44 C ATOM 372 O ASN A 27 20.665 -0.921 16.840 1.00 74.45 O ATOM 373 CB ASN A 27 18.512 -0.344 18.374 1.00 42.11 C ATOM 374 CG ASN A 27 17.184 -0.101 19.064 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.709 -0.934 19.835 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.576 1.048 18.789 1.00 65.05 N ATOM 0 H ASN A 27 16.742 0.317 15.816 1.00 72.15 H new ATOM 0 HA ASN A 27 18.439 1.233 16.915 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.740 -1.410 18.395 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.304 0.162 18.927 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.680 1.267 19.224 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.006 1.711 18.143 1.00 65.05 H new ATOM 383 N VAL A 28 19.975 0.154 14.987 1.00 63.23 N ATOM 384 CA VAL A 28 21.176 -0.161 14.224 1.00 64.00 C ATOM 385 C VAL A 28 21.933 1.106 13.843 1.00 62.33 C ATOM 386 O VAL A 28 21.472 1.892 13.017 1.00 75.42 O ATOM 387 CB VAL A 28 20.838 -0.947 12.944 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.092 -1.191 12.118 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.155 -2.262 13.292 1.00 70.12 C ATOM 0 H VAL A 28 19.284 0.704 14.477 1.00 63.23 H new ATOM 0 HA VAL A 28 21.805 -0.778 14.865 1.00 64.00 H new ATOM 0 HB VAL A 28 20.149 -0.352 12.345 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.832 -1.748 11.218 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.535 -0.235 11.838 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.809 -1.765 12.705 1.00 23.21 H new ATOM 0 HG21 VAL A 28 19.923 -2.805 12.376 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.819 -2.864 13.912 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.233 -2.060 13.837 1.00 70.12 H new ATOM 399 N ALA A 29 23.100 1.297 14.452 1.00 51.31 N ATOM 400 CA ALA A 29 23.923 2.468 14.174 1.00 14.44 C ATOM 401 C ALA A 29 24.253 2.568 12.688 1.00 34.01 C ATOM 402 O ALA A 29 24.762 1.620 12.091 1.00 1.50 O ATOM 403 CB ALA A 29 25.201 2.421 14.999 1.00 51.41 C ATOM 0 H ALA A 29 23.496 0.656 15.140 1.00 51.31 H new ATOM 0 HA ALA A 29 23.355 3.356 14.453 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.807 3.301 14.782 1.00 51.41 H new ATOM 0 HB2 ALA A 29 24.949 2.406 16.059 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.764 1.522 14.747 1.00 51.41 H new ATOM 409 N VAL A 30 23.958 3.722 12.098 1.00 53.05 N ATOM 410 CA VAL A 30 24.223 3.946 10.683 1.00 30.12 C ATOM 411 C VAL A 30 24.780 5.345 10.442 1.00 13.12 C ATOM 412 O VAL A 30 24.239 6.334 10.939 1.00 14.35 O ATOM 413 CB VAL A 30 22.950 3.759 9.836 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.238 4.040 8.369 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.391 2.357 10.019 1.00 21.10 C ATOM 0 H VAL A 30 23.535 4.516 12.579 1.00 53.05 H new ATOM 0 HA VAL A 30 24.964 3.206 10.380 1.00 30.12 H new ATOM 0 HB VAL A 30 22.200 4.472 10.177 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.327 3.903 7.787 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.589 5.066 8.257 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.005 3.353 8.011 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.492 2.242 9.414 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.135 1.625 9.706 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.144 2.198 11.069 1.00 21.10 H new ATOM 425 N HIS A 31 25.863 5.422 9.675 1.00 64.03 N ATOM 426 CA HIS A 31 26.492 6.702 9.367 1.00 64.42 C ATOM 427 C HIS A 31 26.595 6.907 7.859 1.00 32.44 C ATOM 428 O HIS A 31 27.169 6.082 7.148 1.00 61.22 O ATOM 429 CB HIS A 31 27.882 6.775 10.000 1.00 31.03 C ATOM 430 CG HIS A 31 27.931 6.248 11.401 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.969 7.064 12.511 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.947 4.977 11.869 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.008 6.318 13.602 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.995 5.048 13.239 1.00 41.10 N ATOM 0 H HIS A 31 26.323 4.614 9.256 1.00 64.03 H new ATOM 0 HA HIS A 31 25.870 7.495 9.782 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.583 6.211 9.384 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.219 7.812 9.999 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.926 4.075 11.275 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.044 6.685 14.617 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.017 4.250 13.874 1.00 41.10 H new ATOM 442 N VAL A 32 26.036 8.013 7.378 1.00 24.00 N ATOM 443 CA VAL A 32 26.065 8.327 5.955 1.00 4.03 C ATOM 444 C VAL A 32 27.109 9.395 5.649 1.00 11.32 C ATOM 445 O VAL A 32 27.260 10.362 6.395 1.00 31.44 O ATOM 446 CB VAL A 32 24.689 8.812 5.458 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.653 8.848 3.938 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.583 7.923 6.005 1.00 32.45 C ATOM 0 H VAL A 32 25.558 8.706 7.953 1.00 24.00 H new ATOM 0 HA VAL A 32 26.327 7.406 5.433 1.00 4.03 H new ATOM 0 HB VAL A 32 24.525 9.825 5.825 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.674 9.193 3.605 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.421 9.529 3.572 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.838 7.848 3.546 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.618 8.279 5.645 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.740 6.898 5.669 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.597 7.953 7.094 1.00 32.45 H new ATOM 458 N PHE A 33 27.827 9.214 4.545 1.00 51.12 N ATOM 459 CA PHE A 33 28.858 10.162 4.140 1.00 51.45 C ATOM 460 C PHE A 33 28.766 10.460 2.647 1.00 55.55 C ATOM 461 O PHE A 33 28.090 9.751 1.901 1.00 10.22 O ATOM 462 CB PHE A 33 30.246 9.614 4.478 1.00 10.20 C ATOM 463 CG PHE A 33 30.576 9.678 5.941 1.00 4.40 C ATOM 464 CD1 PHE A 33 29.977 8.808 6.839 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.484 10.608 6.421 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.278 8.864 8.186 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.791 10.667 7.767 1.00 73.04 C ATOM 468 CZ PHE A 33 31.185 9.796 8.651 1.00 5.30 C ATOM 0 H PHE A 33 27.714 8.420 3.915 1.00 51.12 H new ATOM 0 HA PHE A 33 28.698 11.090 4.688 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.310 8.578 4.144 1.00 10.20 H new ATOM 0 HB3 PHE A 33 30.995 10.175 3.920 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.266 8.078 6.481 1.00 34.41 H new ATOM 0 HD2 PHE A 33 31.957 11.295 5.735 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.805 8.180 8.875 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.504 11.394 8.127 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.420 9.844 9.704 1.00 5.30 H new ATOM 478 N ARG A 34 29.450 11.516 2.217 1.00 64.43 N ATOM 479 CA ARG A 34 29.444 11.909 0.813 1.00 65.22 C ATOM 480 C ARG A 34 30.866 12.137 0.306 1.00 15.34 C ATOM 481 O ARG A 34 31.745 12.559 1.058 1.00 10.42 O ATOM 482 CB ARG A 34 28.614 13.181 0.622 1.00 44.03 C ATOM 483 CG ARG A 34 28.449 13.586 -0.834 1.00 42.14 C ATOM 484 CD ARG A 34 29.431 14.680 -1.223 1.00 65.22 C ATOM 485 NE ARG A 34 29.133 15.242 -2.537 1.00 22.33 N ATOM 486 CZ ARG A 34 29.317 14.584 -3.676 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.796 13.348 -3.663 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.023 15.163 -4.833 1.00 1.52 N ATOM 0 H ARG A 34 30.015 12.114 2.820 1.00 64.43 H new ATOM 0 HA ARG A 34 28.996 11.100 0.237 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.628 13.032 1.063 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.086 13.998 1.167 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.599 12.716 -1.474 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.430 13.934 -1.003 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.405 15.473 -0.475 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.443 14.275 -1.223 1.00 65.22 H new ATOM 0 HE ARG A 34 28.763 16.192 -2.583 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.025 12.899 -2.776 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.936 12.846 -4.540 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.655 16.114 -4.848 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.165 14.657 -5.707 1.00 1.52 H new ATOM 502 N LYS A 35 31.085 11.853 -0.973 1.00 52.41 N ATOM 503 CA LYS A 35 32.399 12.025 -1.582 1.00 13.50 C ATOM 504 C LYS A 35 32.755 13.504 -1.695 1.00 22.12 C ATOM 505 O LYS A 35 32.178 14.230 -2.506 1.00 23.40 O ATOM 506 CB LYS A 35 32.431 11.374 -2.965 1.00 52.13 C ATOM 507 CG LYS A 35 33.529 11.914 -3.867 1.00 14.31 C ATOM 508 CD LYS A 35 34.908 11.645 -3.287 1.00 53.52 C ATOM 509 CE LYS A 35 35.258 10.167 -3.343 1.00 23.31 C ATOM 510 NZ LYS A 35 36.162 9.853 -4.482 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.369 11.502 -1.609 1.00 52.41 H new ATOM 0 HA LYS A 35 33.136 11.540 -0.942 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.565 10.299 -2.848 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.467 11.524 -3.451 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.451 11.454 -4.852 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.394 12.987 -4.005 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.654 12.218 -3.839 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.942 11.989 -2.253 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.735 9.871 -2.409 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.344 9.581 -3.433 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.377 8.835 -4.485 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.697 10.111 -5.376 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.045 10.393 -4.383 1.00 21.52 H new ATOM 524 N ALA A 36 33.708 13.943 -0.881 1.00 11.43 N ATOM 525 CA ALA A 36 34.143 15.334 -0.893 1.00 5.53 C ATOM 526 C ALA A 36 34.943 15.648 -2.152 1.00 3.33 C ATOM 527 O ALA A 36 35.521 14.754 -2.771 1.00 43.41 O ATOM 528 CB ALA A 36 34.967 15.641 0.348 1.00 65.22 C ATOM 0 H ALA A 36 34.194 13.355 -0.204 1.00 11.43 H new ATOM 0 HA ALA A 36 33.255 15.966 -0.891 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.285 16.683 0.325 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.363 15.465 1.238 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.844 14.995 0.371 1.00 65.22 H new ATOM 534 N ALA A 37 34.971 16.923 -2.528 1.00 31.41 N ATOM 535 CA ALA A 37 35.702 17.354 -3.714 1.00 53.45 C ATOM 536 C ALA A 37 37.184 17.019 -3.596 1.00 42.42 C ATOM 537 O ALA A 37 37.896 16.953 -4.598 1.00 11.14 O ATOM 538 CB ALA A 37 35.511 18.847 -3.936 1.00 43.21 C ATOM 0 H ALA A 37 34.496 17.675 -2.029 1.00 31.41 H new ATOM 0 HA ALA A 37 35.303 16.816 -4.574 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.062 19.156 -4.824 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.451 19.062 -4.073 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.883 19.394 -3.070 1.00 43.21 H new ATOM 544 N ASP A 38 37.644 16.811 -2.367 1.00 21.45 N ATOM 545 CA ASP A 38 39.043 16.483 -2.119 1.00 71.21 C ATOM 546 C ASP A 38 39.246 14.972 -2.065 1.00 42.43 C ATOM 547 O ASP A 38 40.270 14.490 -1.581 1.00 64.32 O ATOM 548 CB ASP A 38 39.515 17.121 -0.812 1.00 40.43 C ATOM 549 CG ASP A 38 40.790 17.921 -0.985 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.866 18.716 -1.945 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.713 17.752 -0.160 1.00 52.21 O1- ATOM 0 H ASP A 38 37.068 16.864 -1.527 1.00 21.45 H new ATOM 0 HA ASP A 38 39.635 16.881 -2.943 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.731 17.772 -0.425 1.00 40.43 H new ATOM 0 HB3 ASP A 38 39.677 16.341 -0.068 1.00 40.43 H new ATOM 556 N ASP A 39 38.264 14.230 -2.565 1.00 23.33 N ATOM 557 CA ASP A 39 38.334 12.773 -2.573 1.00 64.41 C ATOM 558 C ASP A 39 38.342 12.222 -1.151 1.00 62.43 C ATOM 559 O ASP A 39 39.060 11.268 -0.848 1.00 42.41 O ATOM 560 CB ASP A 39 39.582 12.307 -3.323 1.00 53.30 C ATOM 561 CG ASP A 39 39.903 13.184 -4.516 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.143 13.142 -5.506 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.915 13.914 -4.460 1.00 73.02 O1- ATOM 0 H ASP A 39 37.410 14.613 -2.970 1.00 23.33 H new ATOM 0 HA ASP A 39 37.450 12.393 -3.084 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.432 12.302 -2.640 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.438 11.280 -3.659 1.00 53.30 H new ATOM 568 N THR A 40 37.540 12.828 -0.281 1.00 24.15 N ATOM 569 CA THR A 40 37.457 12.400 1.109 1.00 43.05 C ATOM 570 C THR A 40 36.027 12.025 1.484 1.00 61.51 C ATOM 571 O THR A 40 35.112 12.137 0.670 1.00 34.22 O ATOM 572 CB THR A 40 37.956 13.498 2.067 1.00 44.50 C ATOM 573 OG1 THR A 40 36.961 14.518 2.203 1.00 41.21 O ATOM 574 CG2 THR A 40 39.251 14.111 1.558 1.00 21.33 C ATOM 0 H THR A 40 36.938 13.618 -0.515 1.00 24.15 H new ATOM 0 HA THR A 40 38.098 11.524 1.208 1.00 43.05 H new ATOM 0 HB THR A 40 38.145 13.043 3.039 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.285 15.212 2.815 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.585 14.884 2.250 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.015 13.337 1.483 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.083 14.552 0.575 1.00 21.33 H new ATOM 582 N TRP A 41 35.843 11.580 2.722 1.00 45.03 N ATOM 583 CA TRP A 41 34.524 11.189 3.206 1.00 2.42 C ATOM 584 C TRP A 41 33.950 12.250 4.137 1.00 70.44 C ATOM 585 O TRP A 41 34.392 12.393 5.276 1.00 32.21 O ATOM 586 CB TRP A 41 34.601 9.844 3.930 1.00 70.13 C ATOM 587 CG TRP A 41 34.773 8.679 3.003 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.441 8.671 1.812 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.267 7.353 3.191 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.381 7.420 1.248 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.667 6.593 2.075 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.518 6.733 4.194 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.340 5.246 1.935 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.193 5.397 4.053 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.605 4.665 2.932 1.00 75.05 C ATOM 0 H TRP A 41 36.591 11.481 3.409 1.00 45.03 H new ATOM 0 HA TRP A 41 33.863 11.092 2.345 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.433 9.865 4.633 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.693 9.702 4.515 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.943 9.523 1.377 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.800 7.150 0.358 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.199 7.288 5.064 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.655 4.681 1.070 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.611 4.909 4.821 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.337 3.622 2.853 1.00 75.05 H new ATOM 606 N GLU A 42 32.961 12.991 3.645 1.00 73.10 N ATOM 607 CA GLU A 42 32.327 14.040 4.436 1.00 54.20 C ATOM 608 C GLU A 42 31.074 13.515 5.131 1.00 4.34 C ATOM 609 O GLU A 42 30.394 12.613 4.640 1.00 73.22 O ATOM 610 CB GLU A 42 31.969 15.233 3.547 1.00 31.41 C ATOM 611 CG GLU A 42 33.173 16.050 3.110 1.00 53.13 C ATOM 612 CD GLU A 42 33.563 17.105 4.126 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.720 17.972 4.435 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.712 17.062 4.614 1.00 64.44 O ATOM 0 H GLU A 42 32.582 12.884 2.704 1.00 73.10 H new ATOM 0 HA GLU A 42 33.035 14.364 5.198 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.445 14.871 2.662 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.277 15.881 4.085 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.018 15.383 2.942 1.00 53.13 H new ATOM 0 HG3 GLU A 42 32.954 16.532 2.157 1.00 53.13 H new ATOM 621 N PRO A 43 30.761 14.091 6.301 1.00 54.34 N ATOM 622 CA PRO A 43 29.590 13.698 7.088 1.00 24.43 C ATOM 623 C PRO A 43 28.280 14.109 6.423 1.00 42.40 C ATOM 624 O PRO A 43 27.997 15.298 6.268 1.00 63.02 O ATOM 625 CB PRO A 43 29.780 14.452 8.407 1.00 15.11 C ATOM 626 CG PRO A 43 30.621 15.630 8.052 1.00 23.24 C ATOM 627 CD PRO A 43 31.528 15.171 6.944 1.00 63.44 C ATOM 0 HA PRO A 43 29.522 12.616 7.205 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.823 14.761 8.828 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.269 13.827 9.154 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.003 16.468 7.729 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.197 15.972 8.912 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.749 15.978 6.245 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.483 14.812 7.329 1.00 63.44 H new ATOM 635 N PHE A 44 27.484 13.120 6.034 1.00 23.33 N ATOM 636 CA PHE A 44 26.204 13.378 5.385 1.00 30.03 C ATOM 637 C PHE A 44 25.052 13.225 6.374 1.00 11.52 C ATOM 638 O PHE A 44 24.086 13.986 6.342 1.00 21.02 O ATOM 639 CB PHE A 44 26.006 12.429 4.202 1.00 54.34 C ATOM 640 CG PHE A 44 24.785 12.738 3.382 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.538 12.275 3.770 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.885 13.493 2.225 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.414 12.558 3.017 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.764 13.779 1.468 1.00 24.11 C ATOM 645 CZ PHE A 44 22.527 13.312 1.866 1.00 75.12 C ATOM 0 H PHE A 44 27.703 12.131 6.157 1.00 23.33 H new ATOM 0 HA PHE A 44 26.211 14.405 5.019 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.886 12.473 3.560 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.934 11.407 4.574 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.443 11.687 4.671 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.850 13.863 1.911 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.448 12.190 3.329 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.856 14.367 0.567 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.649 13.536 1.278 1.00 75.12 H new ATOM 655 N ALA A 45 25.162 12.232 7.252 1.00 71.23 N ATOM 656 CA ALA A 45 24.132 11.978 8.251 1.00 64.43 C ATOM 657 C ALA A 45 24.528 10.824 9.166 1.00 24.31 C ATOM 658 O ALA A 45 25.559 10.185 8.963 1.00 5.31 O ATOM 659 CB ALA A 45 22.801 11.685 7.574 1.00 55.21 C ATOM 0 H ALA A 45 25.954 11.591 7.291 1.00 71.23 H new ATOM 0 HA ALA A 45 24.026 12.873 8.864 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.041 11.497 8.332 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.505 12.541 6.968 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.903 10.807 6.937 1.00 55.21 H new ATOM 665 N SER A 46 23.701 10.563 10.173 1.00 61.42 N ATOM 666 CA SER A 46 23.967 9.489 11.123 1.00 20.23 C ATOM 667 C SER A 46 22.777 9.280 12.054 1.00 55.20 C ATOM 668 O SER A 46 22.063 10.223 12.390 1.00 65.33 O ATOM 669 CB SER A 46 25.221 9.802 11.942 1.00 30.24 C ATOM 670 OG SER A 46 25.120 9.272 13.251 1.00 45.23 O ATOM 0 H SER A 46 22.841 11.081 10.352 1.00 61.42 H new ATOM 0 HA SER A 46 24.130 8.571 10.559 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.097 9.386 11.445 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.366 10.881 11.993 1.00 30.24 H new ATOM 0 HG SER A 46 25.934 9.484 13.754 1.00 45.23 H new ATOM 676 N GLY A 47 22.570 8.033 12.468 1.00 22.52 N ATOM 677 CA GLY A 47 21.465 7.721 13.356 1.00 13.24 C ATOM 678 C GLY A 47 21.292 6.229 13.563 1.00 23.24 C ATOM 679 O GLY A 47 22.257 5.468 13.495 1.00 53.34 O ATOM 0 H GLY A 47 23.147 7.234 12.205 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.631 8.202 14.320 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.545 8.137 12.946 1.00 13.24 H new ATOM 683 N LYS A 48 20.057 5.808 13.817 1.00 71.53 N ATOM 684 CA LYS A 48 19.759 4.398 14.035 1.00 65.33 C ATOM 685 C LYS A 48 18.499 3.986 13.281 1.00 1.25 C ATOM 686 O LYS A 48 17.480 4.675 13.327 1.00 42.23 O ATOM 687 CB LYS A 48 19.585 4.116 15.529 1.00 75.34 C ATOM 688 CG LYS A 48 20.855 3.629 16.208 1.00 22.40 C ATOM 689 CD LYS A 48 20.622 3.335 17.680 1.00 43.34 C ATOM 690 CE LYS A 48 20.258 4.596 18.450 1.00 30.21 C ATOM 691 NZ LYS A 48 20.913 4.638 19.786 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.246 6.424 13.877 1.00 71.53 H new ATOM 0 HA LYS A 48 20.597 3.813 13.656 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.244 5.025 16.024 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.803 3.368 15.660 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.214 2.729 15.709 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.636 4.383 16.106 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.823 2.601 17.783 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.520 2.891 18.110 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.554 5.472 17.873 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.176 4.646 18.574 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.640 5.512 20.279 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.611 3.816 20.347 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.946 4.616 19.667 1.00 35.43 H new ATOM 705 N THR A 49 18.574 2.855 12.586 1.00 51.42 N ATOM 706 CA THR A 49 17.441 2.349 11.821 1.00 70.12 C ATOM 707 C THR A 49 16.225 2.137 12.716 1.00 10.11 C ATOM 708 O THR A 49 16.320 2.230 13.940 1.00 53.44 O ATOM 709 CB THR A 49 17.784 1.024 11.117 1.00 52.42 C ATOM 710 OG1 THR A 49 17.960 -0.015 12.086 1.00 74.22 O ATOM 711 CG2 THR A 49 19.048 1.166 10.282 1.00 34.12 C ATOM 0 H THR A 49 19.409 2.271 12.537 1.00 51.42 H new ATOM 0 HA THR A 49 17.208 3.101 11.067 1.00 70.12 H new ATOM 0 HB THR A 49 16.958 0.766 10.455 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.185 -0.615 12.067 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.270 0.217 9.794 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.900 1.937 9.526 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.881 1.446 10.927 1.00 34.12 H new ATOM 719 N SER A 50 15.083 1.850 12.099 1.00 34.50 N ATOM 720 CA SER A 50 13.848 1.625 12.840 1.00 20.42 C ATOM 721 C SER A 50 13.212 0.296 12.448 1.00 73.51 C ATOM 722 O SER A 50 13.679 -0.381 11.533 1.00 35.41 O ATOM 723 CB SER A 50 12.864 2.769 12.589 1.00 43.22 C ATOM 724 OG SER A 50 13.284 3.957 13.239 1.00 64.44 O ATOM 0 H SER A 50 14.988 1.768 11.087 1.00 34.50 H new ATOM 0 HA SER A 50 14.092 1.590 13.902 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.777 2.949 11.517 1.00 43.22 H new ATOM 0 HB3 SER A 50 11.874 2.486 12.947 1.00 43.22 H new ATOM 0 HG SER A 50 12.639 4.673 13.061 1.00 64.44 H new ATOM 730 N GLU A 51 12.143 -0.071 13.148 1.00 30.32 N ATOM 731 CA GLU A 51 11.443 -1.321 12.873 1.00 23.23 C ATOM 732 C GLU A 51 10.727 -1.258 11.527 1.00 40.22 C ATOM 733 O GLU A 51 10.202 -2.262 11.043 1.00 52.42 O ATOM 734 CB GLU A 51 10.437 -1.622 13.985 1.00 74.31 C ATOM 735 CG GLU A 51 9.564 -0.434 14.355 1.00 31.32 C ATOM 736 CD GLU A 51 8.083 -0.744 14.255 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.684 -1.865 14.632 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.323 0.136 13.799 1.00 65.12 O1- ATOM 0 H GLU A 51 11.743 0.478 13.909 1.00 30.32 H new ATOM 0 HA GLU A 51 12.182 -2.122 12.835 1.00 23.23 H new ATOM 0 HB2 GLU A 51 9.798 -2.448 13.672 1.00 74.31 H new ATOM 0 HB3 GLU A 51 10.977 -1.955 14.871 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.798 -0.119 15.372 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.801 0.404 13.700 1.00 31.32 H new ATOM 745 N SER A 52 10.710 -0.072 10.926 1.00 1.54 N ATOM 746 CA SER A 52 10.054 0.123 9.638 1.00 44.12 C ATOM 747 C SER A 52 11.077 0.136 8.506 1.00 3.03 C ATOM 748 O SER A 52 10.733 0.362 7.347 1.00 54.51 O ATOM 749 CB SER A 52 9.260 1.431 9.639 1.00 55.52 C ATOM 750 OG SER A 52 8.249 1.414 8.647 1.00 34.12 O ATOM 0 H SER A 52 11.143 0.768 11.310 1.00 1.54 H new ATOM 0 HA SER A 52 9.368 -0.709 9.476 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.809 1.586 10.619 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.934 2.269 9.462 1.00 55.52 H new ATOM 0 HG SER A 52 8.611 1.040 7.817 1.00 34.12 H new ATOM 756 N GLY A 53 12.338 -0.110 8.852 1.00 14.45 N ATOM 757 CA GLY A 53 13.391 -0.122 7.854 1.00 40.03 C ATOM 758 C GLY A 53 13.624 1.245 7.240 1.00 14.23 C ATOM 759 O GLY A 53 14.216 1.357 6.167 1.00 21.34 O ATOM 0 H GLY A 53 12.648 -0.301 9.805 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.316 -0.474 8.311 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.134 -0.831 7.067 1.00 40.03 H new ATOM 763 N GLU A 54 13.155 2.286 7.921 1.00 31.13 N ATOM 764 CA GLU A 54 13.314 3.650 7.434 1.00 52.11 C ATOM 765 C GLU A 54 13.861 4.560 8.530 1.00 0.31 C ATOM 766 O GLU A 54 13.348 4.579 9.650 1.00 51.32 O ATOM 767 CB GLU A 54 11.976 4.193 6.926 1.00 40.52 C ATOM 768 CG GLU A 54 11.209 3.210 6.059 1.00 10.03 C ATOM 769 CD GLU A 54 10.321 3.898 5.041 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.486 4.733 5.452 1.00 31.31 O ATOM 771 OE2 GLU A 54 10.459 3.603 3.836 1.00 75.13 O1- ATOM 0 H GLU A 54 12.662 2.210 8.811 1.00 31.13 H new ATOM 0 HA GLU A 54 14.028 3.633 6.611 1.00 52.11 H new ATOM 0 HB2 GLU A 54 11.358 4.470 7.780 1.00 40.52 H new ATOM 0 HB3 GLU A 54 12.157 5.104 6.355 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.915 2.562 5.540 1.00 10.03 H new ATOM 0 HG3 GLU A 54 10.597 2.571 6.696 1.00 10.03 H new ATOM 778 N LEU A 55 14.906 5.311 8.200 1.00 5.54 N ATOM 779 CA LEU A 55 15.524 6.223 9.157 1.00 34.15 C ATOM 780 C LEU A 55 15.135 7.668 8.861 1.00 70.31 C ATOM 781 O LEU A 55 15.557 8.243 7.857 1.00 34.41 O ATOM 782 CB LEU A 55 17.046 6.075 9.122 1.00 4.21 C ATOM 783 CG LEU A 55 17.728 5.828 10.467 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.141 5.305 10.262 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.745 7.102 11.299 1.00 14.12 C ATOM 0 H LEU A 55 15.343 5.307 7.278 1.00 5.54 H new ATOM 0 HA LEU A 55 15.163 5.966 10.153 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.295 5.250 8.454 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.469 6.979 8.684 1.00 4.21 H new ATOM 0 HG LEU A 55 17.158 5.072 11.007 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.610 5.135 11.231 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.105 4.368 9.707 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.722 6.037 9.701 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.234 6.907 12.253 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.291 7.879 10.764 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.722 7.434 11.477 1.00 14.12 H new ATOM 797 N HIS A 56 14.331 8.252 9.744 1.00 5.15 N ATOM 798 CA HIS A 56 13.887 9.631 9.579 1.00 13.42 C ATOM 799 C HIS A 56 14.785 10.587 10.359 1.00 51.22 C ATOM 800 O HIS A 56 14.783 10.592 11.588 1.00 34.12 O ATOM 801 CB HIS A 56 12.438 9.782 10.042 1.00 32.12 C ATOM 802 CG HIS A 56 11.781 11.036 9.554 1.00 53.30 C ATOM 803 ND1 HIS A 56 11.450 11.248 8.233 1.00 23.11 N ATOM 804 CD2 HIS A 56 11.391 12.149 10.221 1.00 72.43 C ATOM 805 CE1 HIS A 56 10.887 12.436 8.107 1.00 1.32 C ATOM 806 NE2 HIS A 56 10.839 13.004 9.298 1.00 3.25 N ATOM 0 H HIS A 56 13.974 7.791 10.581 1.00 5.15 H new ATOM 0 HA HIS A 56 13.950 9.883 8.520 1.00 13.42 H new ATOM 0 HB2 HIS A 56 11.863 8.923 9.697 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.410 9.767 11.132 1.00 32.12 H new ATOM 0 HD2 HIS A 56 11.495 12.330 11.281 1.00 72.43 H new ATOM 0 HE1 HIS A 56 10.527 12.870 7.186 1.00 1.32 H new ATOM 0 HE2 HIS A 56 10.455 13.927 9.500 1.00 3.25 H new ATOM 814 N GLY A 57 15.552 11.396 9.633 1.00 61.41 N ATOM 815 CA GLY A 57 16.445 12.343 10.274 1.00 74.22 C ATOM 816 C GLY A 57 17.769 12.475 9.547 1.00 32.15 C ATOM 817 O GLY A 57 18.488 13.460 9.724 1.00 74.24 O ATOM 0 H GLY A 57 15.570 11.412 8.613 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.961 13.319 10.322 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.628 12.027 11.301 1.00 74.22 H new ATOM 821 N LEU A 58 18.094 11.482 8.728 1.00 71.24 N ATOM 822 CA LEU A 58 19.342 11.490 7.973 1.00 13.14 C ATOM 823 C LEU A 58 19.242 12.418 6.767 1.00 72.13 C ATOM 824 O LEU A 58 20.249 12.947 6.291 1.00 54.40 O ATOM 825 CB LEU A 58 19.692 10.073 7.513 1.00 52.25 C ATOM 826 CG LEU A 58 19.852 9.029 8.617 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.373 7.720 8.044 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.781 9.543 9.707 1.00 33.14 C ATOM 0 H LEU A 58 17.511 10.660 8.569 1.00 71.24 H new ATOM 0 HA LEU A 58 20.132 11.858 8.628 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.915 9.733 6.829 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.621 10.116 6.944 1.00 52.25 H new ATOM 0 HG LEU A 58 18.873 8.844 9.059 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.480 6.989 8.845 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.670 7.343 7.301 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.342 7.889 7.574 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.883 8.786 10.485 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.760 9.758 9.279 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.366 10.454 10.139 1.00 33.14 H new ATOM 840 N THR A 59 18.022 12.616 6.278 1.00 63.43 N ATOM 841 CA THR A 59 17.791 13.482 5.128 1.00 22.11 C ATOM 842 C THR A 59 18.401 14.862 5.348 1.00 64.24 C ATOM 843 O THR A 59 18.341 15.411 6.449 1.00 72.41 O ATOM 844 CB THR A 59 16.287 13.638 4.836 1.00 73.42 C ATOM 845 OG1 THR A 59 15.643 14.308 5.927 1.00 35.32 O ATOM 846 CG2 THR A 59 15.635 12.282 4.612 1.00 74.22 C ATOM 0 H THR A 59 17.179 12.188 6.660 1.00 63.43 H new ATOM 0 HA THR A 59 18.272 13.008 4.273 1.00 22.11 H new ATOM 0 HB THR A 59 16.176 14.231 3.928 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.687 14.405 5.733 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.573 12.418 4.408 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.107 11.787 3.763 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.757 11.668 5.504 1.00 74.22 H new ATOM 854 N THR A 60 18.988 15.419 4.293 1.00 12.24 N ATOM 855 CA THR A 60 19.609 16.736 4.372 1.00 43.44 C ATOM 856 C THR A 60 19.595 17.431 3.016 1.00 34.10 C ATOM 857 O THR A 60 19.399 16.793 1.983 1.00 22.23 O ATOM 858 CB THR A 60 21.062 16.642 4.874 1.00 21.12 C ATOM 859 OG1 THR A 60 21.786 15.677 4.101 1.00 74.34 O ATOM 860 CG2 THR A 60 21.103 16.257 6.344 1.00 41.12 C ATOM 0 H THR A 60 19.046 14.979 3.375 1.00 12.24 H new ATOM 0 HA THR A 60 19.024 17.320 5.083 1.00 43.44 H new ATOM 0 HB THR A 60 21.527 17.621 4.759 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.709 15.624 4.425 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.140 16.197 6.676 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.577 17.009 6.932 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.622 15.288 6.480 1.00 41.12 H new ATOM 868 N GLU A 61 19.805 18.744 3.027 1.00 14.50 N ATOM 869 CA GLU A 61 19.816 19.525 1.796 1.00 24.54 C ATOM 870 C GLU A 61 20.978 19.110 0.898 1.00 54.52 C ATOM 871 O GLU A 61 21.027 19.471 -0.278 1.00 63.11 O ATOM 872 CB GLU A 61 19.913 21.020 2.115 1.00 35.23 C ATOM 873 CG GLU A 61 21.038 21.365 3.075 1.00 25.21 C ATOM 874 CD GLU A 61 21.326 22.853 3.125 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.482 23.602 3.659 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.395 23.268 2.631 1.00 13.54 O1- ATOM 0 H GLU A 61 19.970 19.288 3.874 1.00 14.50 H new ATOM 0 HA GLU A 61 18.883 19.333 1.266 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.057 21.573 1.186 1.00 35.23 H new ATOM 0 HB3 GLU A 61 18.967 21.354 2.542 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.778 21.015 4.074 1.00 25.21 H new ATOM 0 HG3 GLU A 61 21.942 20.834 2.776 1.00 25.21 H new ATOM 883 N GLU A 62 21.911 18.349 1.462 1.00 72.32 N ATOM 884 CA GLU A 62 23.074 17.886 0.713 1.00 31.42 C ATOM 885 C GLU A 62 22.717 16.683 -0.155 1.00 1.45 C ATOM 886 O GLU A 62 23.568 16.139 -0.858 1.00 71.41 O ATOM 887 CB GLU A 62 24.212 17.521 1.668 1.00 1.21 C ATOM 888 CG GLU A 62 25.230 18.632 1.856 1.00 10.03 C ATOM 889 CD GLU A 62 25.796 19.133 0.541 1.00 2.43 C ATOM 890 OE1 GLU A 62 25.695 18.400 -0.465 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.340 20.257 0.519 1.00 75.13 O ATOM 0 H GLU A 62 21.884 18.040 2.434 1.00 72.32 H new ATOM 0 HA GLU A 62 23.402 18.697 0.063 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.790 17.258 2.638 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.721 16.634 1.291 1.00 1.21 H new ATOM 0 HG2 GLU A 62 24.763 19.462 2.386 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.045 18.271 2.484 1.00 10.03 H new ATOM 898 N GLU A 63 21.454 16.273 -0.098 1.00 1.55 N ATOM 899 CA GLU A 63 20.985 15.134 -0.879 1.00 2.15 C ATOM 900 C GLU A 63 20.961 15.466 -2.367 1.00 33.05 C ATOM 901 O GLU A 63 20.739 14.594 -3.207 1.00 33.04 O ATOM 902 CB GLU A 63 19.589 14.711 -0.416 1.00 4.33 C ATOM 903 CG GLU A 63 18.468 15.518 -1.047 1.00 54.34 C ATOM 904 CD GLU A 63 18.461 16.963 -0.589 1.00 22.40 C ATOM 905 OE1 GLU A 63 19.324 17.738 -1.052 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.591 17.320 0.234 1.00 12.13 O1- ATOM 0 H GLU A 63 20.738 16.712 0.480 1.00 1.55 H new ATOM 0 HA GLU A 63 21.678 14.308 -0.721 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.442 13.657 -0.650 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.530 14.809 0.668 1.00 4.33 H new ATOM 0 HG2 GLU A 63 18.568 15.485 -2.132 1.00 54.34 H new ATOM 0 HG3 GLU A 63 17.511 15.058 -0.801 1.00 54.34 H new ATOM 913 N PHE A 64 21.189 16.735 -2.688 1.00 14.24 N ATOM 914 CA PHE A 64 21.192 17.185 -4.075 1.00 42.31 C ATOM 915 C PHE A 64 22.609 17.192 -4.642 1.00 11.50 C ATOM 916 O PHE A 64 23.012 18.133 -5.325 1.00 32.43 O ATOM 917 CB PHE A 64 20.583 18.584 -4.181 1.00 12.40 C ATOM 918 CG PHE A 64 20.109 18.929 -5.564 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.289 18.060 -6.266 1.00 45.43 C ATOM 920 CD2 PHE A 64 20.482 20.122 -6.162 1.00 43.22 C ATOM 921 CE1 PHE A 64 18.851 18.374 -7.539 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.046 20.441 -7.433 1.00 2.15 C ATOM 923 CZ PHE A 64 19.231 19.565 -8.123 1.00 13.33 C ATOM 0 H PHE A 64 21.374 17.470 -2.006 1.00 14.24 H new ATOM 0 HA PHE A 64 20.589 16.488 -4.657 1.00 42.31 H new ATOM 0 HB2 PHE A 64 19.744 18.660 -3.489 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.324 19.319 -3.866 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.989 17.127 -5.813 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.121 20.810 -5.628 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.212 17.688 -8.076 1.00 42.01 H new ATOM 0 HE2 PHE A 64 20.342 21.375 -7.887 1.00 2.15 H new ATOM 0 HZ PHE A 64 18.892 19.812 -9.118 1.00 13.33 H new ATOM 933 N VAL A 65 23.360 16.133 -4.353 1.00 14.35 N ATOM 934 CA VAL A 65 24.731 16.015 -4.834 1.00 53.13 C ATOM 935 C VAL A 65 24.808 15.108 -6.057 1.00 62.20 C ATOM 936 O VAL A 65 23.789 14.626 -6.549 1.00 61.02 O ATOM 937 CB VAL A 65 25.664 15.463 -3.739 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.827 16.476 -2.617 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.133 14.142 -3.204 1.00 75.10 C ATOM 0 H VAL A 65 23.042 15.345 -3.788 1.00 14.35 H new ATOM 0 HA VAL A 65 25.058 17.018 -5.108 1.00 53.13 H new ATOM 0 HB VAL A 65 26.645 15.282 -4.178 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.489 16.069 -1.853 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.255 17.395 -3.016 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.853 16.691 -2.177 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.804 13.766 -2.432 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.140 14.294 -2.780 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.074 13.418 -4.017 1.00 75.10 H new ATOM 949 N GLU A 66 26.025 14.882 -6.543 1.00 2.51 N ATOM 950 CA GLU A 66 26.235 14.032 -7.709 1.00 74.43 C ATOM 951 C GLU A 66 25.494 12.707 -7.558 1.00 23.21 C ATOM 952 O GLU A 66 24.809 12.258 -8.476 1.00 2.04 O ATOM 953 CB GLU A 66 27.728 13.772 -7.917 1.00 20.43 C ATOM 954 CG GLU A 66 28.523 15.024 -8.251 1.00 34.14 C ATOM 955 CD GLU A 66 28.614 15.276 -9.744 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.075 14.371 -10.470 1.00 71.33 O ATOM 957 OE2 GLU A 66 28.225 16.377 -10.185 1.00 10.42 O1- ATOM 0 H GLU A 66 26.879 15.275 -6.148 1.00 2.51 H new ATOM 0 HA GLU A 66 25.839 14.553 -8.581 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.139 13.321 -7.014 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.853 13.047 -8.721 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.059 15.884 -7.769 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.528 14.932 -7.840 1.00 34.14 H new ATOM 964 N GLY A 67 25.636 12.085 -6.392 1.00 71.33 N ATOM 965 CA GLY A 67 24.975 10.818 -6.140 1.00 61.34 C ATOM 966 C GLY A 67 25.813 9.885 -5.288 1.00 70.12 C ATOM 967 O GLY A 67 25.322 8.864 -4.808 1.00 52.23 O ATOM 0 H GLY A 67 26.198 12.436 -5.616 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.022 11.001 -5.643 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.751 10.334 -7.090 1.00 61.34 H new ATOM 971 N ILE A 68 27.080 10.236 -5.102 1.00 31.34 N ATOM 972 CA ILE A 68 27.988 9.423 -4.303 1.00 24.21 C ATOM 973 C ILE A 68 27.603 9.457 -2.828 1.00 41.21 C ATOM 974 O ILE A 68 27.511 10.526 -2.224 1.00 52.24 O ATOM 975 CB ILE A 68 29.446 9.895 -4.451 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.871 9.857 -5.920 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.371 9.034 -3.605 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.038 10.766 -6.236 1.00 24.51 C ATOM 0 H ILE A 68 27.502 11.078 -5.494 1.00 31.34 H new ATOM 0 HA ILE A 68 27.906 8.402 -4.675 1.00 24.21 H new ATOM 0 HB ILE A 68 29.516 10.924 -4.098 1.00 2.11 H new ATOM 0 HG12 ILE A 68 30.136 8.834 -6.187 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.022 10.139 -6.543 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.398 9.381 -3.721 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.079 9.107 -2.557 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.300 7.996 -3.930 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.284 10.687 -7.295 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.771 11.796 -6.001 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.901 10.470 -5.640 1.00 24.51 H new ATOM 990 N TYR A 69 27.379 8.280 -2.253 1.00 43.21 N ATOM 991 CA TYR A 69 27.003 8.175 -0.848 1.00 1.03 C ATOM 992 C TYR A 69 27.651 6.955 -0.201 1.00 42.24 C ATOM 993 O TYR A 69 27.557 5.840 -0.715 1.00 25.42 O ATOM 994 CB TYR A 69 25.482 8.091 -0.712 1.00 41.35 C ATOM 995 CG TYR A 69 24.754 9.276 -1.305 1.00 60.55 C ATOM 996 CD1 TYR A 69 24.979 10.562 -0.833 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.841 9.108 -2.340 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.316 11.648 -1.372 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.175 10.187 -2.887 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.414 11.455 -2.399 1.00 22.23 C ATOM 1001 OH TYR A 69 22.754 12.534 -2.940 1.00 34.52 O ATOM 0 H TYR A 69 27.451 7.386 -2.738 1.00 43.21 H new ATOM 0 HA TYR A 69 27.359 9.068 -0.334 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.132 7.180 -1.198 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.224 8.008 0.344 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.685 10.716 -0.030 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.649 8.116 -2.723 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.502 12.642 -0.992 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.471 10.039 -3.692 1.00 73.53 H new ATOM 0 HH TYR A 69 21.946 12.719 -2.417 1.00 34.52 H new ATOM 1011 N LYS A 70 28.308 7.174 0.932 1.00 53.02 N ATOM 1012 CA LYS A 70 28.971 6.095 1.654 1.00 22.35 C ATOM 1013 C LYS A 70 28.323 5.873 3.018 1.00 44.40 C ATOM 1014 O LYS A 70 28.541 6.644 3.953 1.00 32.24 O ATOM 1015 CB LYS A 70 30.458 6.409 1.831 1.00 11.12 C ATOM 1016 CG LYS A 70 31.228 6.464 0.522 1.00 64.32 C ATOM 1017 CD LYS A 70 31.180 7.851 -0.095 1.00 64.11 C ATOM 1018 CE LYS A 70 32.462 8.625 0.173 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.479 8.401 -0.891 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.396 8.091 1.371 1.00 53.02 H new ATOM 0 HA LYS A 70 28.865 5.182 1.068 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.560 7.366 2.344 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.906 5.653 2.475 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.265 6.178 0.697 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.811 5.739 -0.177 1.00 64.32 H new ATOM 0 HD2 LYS A 70 31.023 7.767 -1.170 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.330 8.401 0.309 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.236 9.689 0.241 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.873 8.324 1.137 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.335 7.986 -0.471 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.095 7.752 -1.607 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.718 9.308 -1.339 1.00 34.32 H new ATOM 1033 N VAL A 71 27.526 4.815 3.123 1.00 65.12 N ATOM 1034 CA VAL A 71 26.849 4.489 4.373 1.00 43.30 C ATOM 1035 C VAL A 71 27.558 3.355 5.104 1.00 4.12 C ATOM 1036 O VAL A 71 27.991 2.382 4.488 1.00 32.12 O ATOM 1037 CB VAL A 71 25.381 4.090 4.128 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.702 3.721 5.438 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.633 5.213 3.427 1.00 13.51 C ATOM 0 H VAL A 71 27.333 4.169 2.358 1.00 65.12 H new ATOM 0 HA VAL A 71 26.876 5.387 4.991 1.00 43.30 H new ATOM 0 HB VAL A 71 25.364 3.214 3.479 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.666 3.442 5.245 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.225 2.881 5.895 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.728 4.575 6.114 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.598 4.913 3.262 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.657 6.109 4.047 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.107 5.423 2.468 1.00 13.51 H new ATOM 1049 N GLU A 72 27.672 3.489 6.421 1.00 21.11 N ATOM 1050 CA GLU A 72 28.330 2.474 7.237 1.00 23.21 C ATOM 1051 C GLU A 72 27.433 2.038 8.392 1.00 64.10 C ATOM 1052 O GLU A 72 26.766 2.864 9.019 1.00 4.11 O ATOM 1053 CB GLU A 72 29.657 3.005 7.779 1.00 23.23 C ATOM 1054 CG GLU A 72 29.520 3.760 9.091 1.00 11.22 C ATOM 1055 CD GLU A 72 30.617 4.789 9.290 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.101 5.341 8.280 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.991 5.041 10.454 1.00 15.25 O1- ATOM 0 H GLU A 72 27.318 4.289 6.946 1.00 21.11 H new ATOM 0 HA GLU A 72 28.525 1.608 6.605 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.343 2.169 7.920 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.106 3.664 7.036 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.551 4.258 9.120 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.539 3.050 9.918 1.00 11.22 H new ATOM 1064 N ILE A 73 27.421 0.739 8.668 1.00 64.22 N ATOM 1065 CA ILE A 73 26.607 0.194 9.748 1.00 54.32 C ATOM 1066 C ILE A 73 27.476 -0.461 10.815 1.00 14.42 C ATOM 1067 O ILE A 73 28.446 -1.152 10.501 1.00 11.03 O ATOM 1068 CB ILE A 73 25.592 -0.837 9.223 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.705 -0.210 8.145 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.745 -1.377 10.366 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.559 -1.068 6.908 1.00 1.34 C ATOM 0 H ILE A 73 27.966 0.043 8.159 1.00 64.22 H new ATOM 0 HA ILE A 73 26.066 1.031 10.188 1.00 54.32 H new ATOM 0 HB ILE A 73 26.139 -1.668 8.778 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.717 -0.020 8.564 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.121 0.756 7.860 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.032 -2.105 9.978 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.390 -1.857 11.102 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.205 -0.556 10.838 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.917 -0.561 6.187 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.540 -1.237 6.465 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.114 -2.025 7.180 1.00 1.34 H new ATOM 1083 N ASP A 74 27.122 -0.243 12.076 1.00 44.44 N ATOM 1084 CA ASP A 74 27.869 -0.815 13.191 1.00 10.11 C ATOM 1085 C ASP A 74 27.166 -2.055 13.736 1.00 13.42 C ATOM 1086 O ASP A 74 26.371 -1.969 14.673 1.00 64.24 O ATOM 1087 CB ASP A 74 28.040 0.220 14.303 1.00 20.22 C ATOM 1088 CG ASP A 74 29.482 0.657 14.469 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.204 0.721 13.452 1.00 11.04 O ATOM 1090 OD2 ASP A 74 29.890 0.936 15.617 1.00 62.12 O1- ATOM 0 H ASP A 74 26.322 0.326 12.353 1.00 44.44 H new ATOM 0 HA ASP A 74 28.853 -1.108 12.825 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.422 1.091 14.083 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.679 -0.198 15.243 1.00 20.22 H new ATOM 1095 N THR A 75 27.463 -3.206 13.142 1.00 2.21 N ATOM 1096 CA THR A 75 26.857 -4.462 13.567 1.00 43.11 C ATOM 1097 C THR A 75 27.850 -5.314 14.350 1.00 52.03 C ATOM 1098 O THR A 75 27.665 -6.522 14.501 1.00 42.55 O ATOM 1099 CB THR A 75 26.341 -5.273 12.363 1.00 63.11 C ATOM 1100 OG1 THR A 75 27.437 -5.903 11.690 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.590 -4.377 11.389 1.00 71.34 C ATOM 0 H THR A 75 28.119 -3.295 12.366 1.00 2.21 H new ATOM 0 HA THR A 75 26.015 -4.205 14.210 1.00 43.11 H new ATOM 0 HB THR A 75 25.656 -6.035 12.734 1.00 63.11 H new ATOM 0 HG1 THR A 75 27.100 -6.418 10.927 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.235 -4.972 10.547 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.739 -3.921 11.896 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.257 -3.595 11.025 1.00 71.34 H new ATOM 1109 N LYS A 76 28.905 -4.678 14.847 1.00 11.51 N ATOM 1110 CA LYS A 76 29.928 -5.376 15.616 1.00 2.32 C ATOM 1111 C LYS A 76 29.539 -5.458 17.089 1.00 63.31 C ATOM 1112 O LYS A 76 29.634 -6.518 17.708 1.00 10.13 O ATOM 1113 CB LYS A 76 31.277 -4.668 15.473 1.00 70.33 C ATOM 1114 CG LYS A 76 31.233 -3.196 15.846 1.00 30.31 C ATOM 1115 CD LYS A 76 31.767 -2.961 17.248 1.00 0.13 C ATOM 1116 CE LYS A 76 33.283 -2.823 17.252 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.725 -1.587 17.956 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.074 -3.679 14.731 1.00 11.51 H new ATOM 0 HA LYS A 76 30.014 -6.389 15.223 1.00 2.32 H new ATOM 0 HB2 LYS A 76 32.011 -5.172 16.102 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.621 -4.763 14.443 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.820 -2.621 15.131 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.207 -2.834 15.781 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.317 -2.059 17.663 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.474 -3.789 17.893 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.726 -3.694 17.735 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.649 -2.807 16.225 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.763 -1.529 17.937 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.323 -0.754 17.480 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.398 -1.614 18.943 1.00 64.52 H new ATOM 1131 N SER A 77 29.101 -4.333 17.644 1.00 12.32 N ATOM 1132 CA SER A 77 28.700 -4.278 19.045 1.00 40.54 C ATOM 1133 C SER A 77 27.202 -4.531 19.192 1.00 72.24 C ATOM 1134 O SER A 77 26.779 -5.374 19.983 1.00 3.31 O ATOM 1135 CB SER A 77 29.060 -2.918 19.647 1.00 24.54 C ATOM 1136 OG SER A 77 28.351 -1.872 19.004 1.00 62.42 O ATOM 0 H SER A 77 29.015 -3.447 17.145 1.00 12.32 H new ATOM 0 HA SER A 77 29.237 -5.060 19.582 1.00 40.54 H new ATOM 0 HB2 SER A 77 28.830 -2.916 20.712 1.00 24.54 H new ATOM 0 HB3 SER A 77 30.132 -2.747 19.552 1.00 24.54 H new ATOM 0 HG SER A 77 28.597 -1.014 19.408 1.00 62.42 H new ATOM 1142 N TYR A 78 26.406 -3.795 18.424 1.00 33.14 N ATOM 1143 CA TYR A 78 24.955 -3.938 18.470 1.00 43.04 C ATOM 1144 C TYR A 78 24.548 -5.403 18.353 1.00 22.45 C ATOM 1145 O TYR A 78 23.530 -5.821 18.904 1.00 1.02 O ATOM 1146 CB TYR A 78 24.307 -3.125 17.348 1.00 4.32 C ATOM 1147 CG TYR A 78 24.358 -1.630 17.574 1.00 61.13 C ATOM 1148 CD1 TYR A 78 25.508 -0.905 17.287 1.00 50.52 C ATOM 1149 CD2 TYR A 78 23.259 -0.946 18.076 1.00 52.42 C ATOM 1150 CE1 TYR A 78 25.560 0.461 17.493 1.00 70.55 C ATOM 1151 CE2 TYR A 78 23.302 0.419 18.283 1.00 61.52 C ATOM 1152 CZ TYR A 78 24.455 1.118 17.990 1.00 70.05 C ATOM 1153 OH TYR A 78 24.502 2.477 18.197 1.00 34.34 O ATOM 0 H TYR A 78 26.740 -3.094 17.763 1.00 33.14 H new ATOM 0 HA TYR A 78 24.608 -3.560 19.431 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.805 -3.359 16.407 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.267 -3.432 17.242 1.00 4.32 H new ATOM 0 HD1 TYR A 78 26.375 -1.417 16.897 1.00 50.52 H new ATOM 0 HD2 TYR A 78 22.356 -1.490 18.308 1.00 52.42 H new ATOM 0 HE1 TYR A 78 26.462 1.010 17.266 1.00 70.55 H new ATOM 0 HE2 TYR A 78 22.438 0.936 18.672 1.00 61.52 H new ATOM 0 HH TYR A 78 23.641 2.784 18.549 1.00 34.34 H new ATOM 1163 N TRP A 79 25.350 -6.177 17.632 1.00 42.11 N ATOM 1164 CA TRP A 79 25.075 -7.597 17.443 1.00 34.33 C ATOM 1165 C TRP A 79 25.198 -8.356 18.759 1.00 45.25 C ATOM 1166 O TRP A 79 24.393 -9.240 19.056 1.00 50.44 O ATOM 1167 CB TRP A 79 26.031 -8.190 16.407 1.00 11.24 C ATOM 1168 CG TRP A 79 25.460 -8.224 15.022 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.321 -7.607 14.589 1.00 13.21 C ATOM 1170 CD2 TRP A 79 26.000 -8.912 13.889 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.120 -7.871 13.257 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.138 -8.668 12.803 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.130 -9.708 13.685 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 25.370 -9.195 11.534 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 27.360 -10.230 12.426 1.00 22.15 C ATOM 1176 CH2 TRP A 79 26.484 -9.971 11.363 1.00 55.42 C ATOM 0 H TRP A 79 26.196 -5.846 17.168 1.00 42.11 H new ATOM 0 HA TRP A 79 24.051 -7.697 17.082 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.952 -7.608 16.398 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.297 -9.203 16.707 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.673 -7.000 15.204 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.340 -7.529 12.696 1.00 13.32 H new ATOM 0 HE3 TRP A 79 27.812 -9.912 14.497 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 24.695 -8.998 10.715 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 28.230 -10.848 12.258 1.00 22.15 H new ATOM 0 HH2 TRP A 79 26.692 -10.392 10.390 1.00 55.42 H new ATOM 1187 N LYS A 80 26.210 -8.006 19.547 1.00 50.41 N ATOM 1188 CA LYS A 80 26.438 -8.653 20.833 1.00 54.32 C ATOM 1189 C LYS A 80 25.353 -8.269 21.835 1.00 54.00 C ATOM 1190 O LYS A 80 25.168 -8.939 22.850 1.00 50.04 O ATOM 1191 CB LYS A 80 27.813 -8.271 21.383 1.00 61.21 C ATOM 1192 CG LYS A 80 27.808 -6.990 22.200 1.00 73.40 C ATOM 1193 CD LYS A 80 27.817 -7.280 23.692 1.00 71.12 C ATOM 1194 CE LYS A 80 29.217 -7.600 24.189 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.403 -7.209 25.613 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.885 -7.277 19.317 1.00 50.41 H new ATOM 0 HA LYS A 80 26.402 -9.732 20.680 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.186 -9.086 22.003 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.509 -8.159 20.552 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.679 -6.388 21.940 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.927 -6.400 21.948 1.00 73.40 H new ATOM 0 HD2 LYS A 80 27.426 -6.419 24.233 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.154 -8.118 23.905 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.407 -8.668 24.078 1.00 24.41 H new ATOM 0 HE3 LYS A 80 29.949 -7.080 23.571 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 30.370 -7.444 25.914 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 29.247 -6.186 25.715 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.721 -7.724 26.206 1.00 51.34 H new ATOM 1209 N ALA A 81 24.639 -7.188 21.541 1.00 25.51 N ATOM 1210 CA ALA A 81 23.571 -6.717 22.415 1.00 23.43 C ATOM 1211 C ALA A 81 22.362 -7.644 22.352 1.00 74.11 C ATOM 1212 O ALA A 81 21.777 -7.988 23.380 1.00 11.21 O ATOM 1213 CB ALA A 81 23.170 -5.297 22.041 1.00 4.11 C ATOM 0 H ALA A 81 24.780 -6.622 20.705 1.00 25.51 H new ATOM 0 HA ALA A 81 23.945 -6.719 23.439 1.00 23.43 H new ATOM 0 HB1 ALA A 81 22.372 -4.958 22.702 1.00 4.11 H new ATOM 0 HB2 ALA A 81 24.031 -4.637 22.144 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.819 -5.278 21.009 1.00 4.11 H new ATOM 1219 N LEU A 82 21.991 -8.043 21.140 1.00 72.45 N ATOM 1220 CA LEU A 82 20.850 -8.930 20.943 1.00 71.44 C ATOM 1221 C LEU A 82 21.294 -10.388 20.906 1.00 25.04 C ATOM 1222 O LEU A 82 20.552 -11.263 20.463 1.00 54.03 O ATOM 1223 CB LEU A 82 20.121 -8.574 19.646 1.00 34.13 C ATOM 1224 CG LEU A 82 19.576 -7.149 19.553 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.958 -6.725 20.876 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.678 -6.183 19.142 1.00 33.50 C ATOM 0 H LEU A 82 22.464 -7.766 20.279 1.00 72.45 H new ATOM 0 HA LEU A 82 20.169 -8.798 21.784 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.804 -8.736 18.812 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.291 -9.268 19.517 1.00 34.13 H new ATOM 0 HG LEU A 82 18.798 -7.127 18.790 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.576 -5.708 20.790 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.140 -7.400 21.128 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.715 -6.763 21.660 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.272 -5.173 19.081 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.478 -6.208 19.881 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.073 -6.475 18.169 1.00 33.50 H new ATOM 1238 N GLY A 83 22.511 -10.644 21.379 1.00 74.52 N ATOM 1239 CA GLY A 83 23.032 -11.999 21.393 1.00 61.44 C ATOM 1240 C GLY A 83 23.077 -12.616 20.009 1.00 64.05 C ATOM 1241 O GLY A 83 22.671 -13.764 19.822 1.00 12.21 O ATOM 0 H GLY A 83 23.145 -9.937 21.752 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.035 -11.995 21.819 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.412 -12.617 22.043 1.00 61.44 H new ATOM 1245 N ILE A 84 23.569 -11.855 19.038 1.00 55.22 N ATOM 1246 CA ILE A 84 23.664 -12.335 17.665 1.00 13.14 C ATOM 1247 C ILE A 84 25.078 -12.809 17.346 1.00 55.44 C ATOM 1248 O ILE A 84 26.047 -12.368 17.964 1.00 14.52 O ATOM 1249 CB ILE A 84 23.261 -11.244 16.657 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.970 -10.555 17.108 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.091 -11.841 15.268 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.784 -11.489 17.192 1.00 63.44 C ATOM 0 H ILE A 84 23.908 -10.903 19.176 1.00 55.22 H new ATOM 0 HA ILE A 84 22.973 -13.173 17.575 1.00 13.14 H new ATOM 0 HB ILE A 84 24.055 -10.498 16.615 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.133 -10.099 18.085 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.737 -9.747 16.414 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.806 -11.056 14.567 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.031 -12.290 14.947 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.314 -12.605 15.293 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.905 -10.933 17.517 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.595 -11.926 16.211 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.996 -12.283 17.908 1.00 63.44 H new ATOM 1264 N SER A 85 25.189 -13.709 16.374 1.00 21.13 N ATOM 1265 CA SER A 85 26.485 -14.245 15.972 1.00 50.52 C ATOM 1266 C SER A 85 27.484 -13.120 15.721 1.00 44.03 C ATOM 1267 O SER A 85 27.388 -12.376 14.744 1.00 31.33 O ATOM 1268 CB SER A 85 26.338 -15.101 14.713 1.00 54.22 C ATOM 1269 OG SER A 85 25.997 -16.437 15.042 1.00 53.22 O ATOM 0 H SER A 85 24.397 -14.082 15.850 1.00 21.13 H new ATOM 0 HA SER A 85 26.861 -14.867 16.784 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.570 -14.675 14.067 1.00 54.22 H new ATOM 0 HB3 SER A 85 27.271 -15.089 14.150 1.00 54.22 H new ATOM 0 HG SER A 85 25.907 -16.963 14.220 1.00 53.22 H new ATOM 1365 N GLU A 92 27.941 -2.599 3.769 1.00 73.32 N ATOM 1366 CA GLU A 92 27.878 -1.170 3.484 1.00 2.25 C ATOM 1367 C GLU A 92 27.447 -0.921 2.042 1.00 25.30 C ATOM 1368 O GLU A 92 27.363 -1.850 1.237 1.00 13.50 O ATOM 1369 CB GLU A 92 29.236 -0.515 3.743 1.00 43.31 C ATOM 1370 CG GLU A 92 30.355 -1.074 2.882 1.00 22.11 C ATOM 1371 CD GLU A 92 31.013 -2.294 3.499 1.00 21.31 C ATOM 1372 OE1 GLU A 92 31.765 -2.127 4.482 1.00 32.20 O1- ATOM 1373 OE2 GLU A 92 30.776 -3.413 3.000 1.00 61.05 O ATOM 0 HA GLU A 92 27.136 -0.726 4.148 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.153 0.557 3.565 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.498 -0.644 4.793 1.00 43.31 H new ATOM 0 HG2 GLU A 92 29.957 -1.337 1.902 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.107 -0.301 2.724 1.00 22.11 H new ATOM 1380 N VAL A 93 27.175 0.340 1.721 1.00 70.21 N ATOM 1381 CA VAL A 93 26.755 0.713 0.376 1.00 61.32 C ATOM 1382 C VAL A 93 27.581 1.879 -0.155 1.00 43.24 C ATOM 1383 O VAL A 93 27.461 3.007 0.322 1.00 3.54 O ATOM 1384 CB VAL A 93 25.263 1.096 0.340 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.845 1.486 -1.070 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.407 -0.047 0.863 1.00 41.15 C ATOM 0 H VAL A 93 27.238 1.121 2.375 1.00 70.21 H new ATOM 0 HA VAL A 93 26.914 -0.159 -0.258 1.00 61.32 H new ATOM 0 HB VAL A 93 25.111 1.959 0.989 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.788 1.753 -1.075 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.437 2.339 -1.402 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.010 0.645 -1.744 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.356 0.241 0.830 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.561 -0.930 0.243 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.690 -0.272 1.891 1.00 41.15 H new ATOM 1396 N VAL A 94 28.420 1.600 -1.148 1.00 55.22 N ATOM 1397 CA VAL A 94 29.265 2.626 -1.746 1.00 54.44 C ATOM 1398 C VAL A 94 29.140 2.624 -3.265 1.00 72.33 C ATOM 1399 O VAL A 94 29.622 1.712 -3.937 1.00 31.22 O ATOM 1400 CB VAL A 94 30.744 2.428 -1.363 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.609 3.506 -1.998 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.906 2.424 0.149 1.00 32.44 C ATOM 0 H VAL A 94 28.532 0.671 -1.555 1.00 55.22 H new ATOM 0 HA VAL A 94 28.922 3.585 -1.358 1.00 54.44 H new ATOM 0 HB VAL A 94 31.074 1.461 -1.743 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.650 3.350 -1.716 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.515 3.456 -3.083 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.282 4.486 -1.651 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.957 2.283 0.402 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.559 3.375 0.555 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.318 1.611 0.576 1.00 32.44 H new ATOM 1412 N PHE A 95 28.491 3.653 -3.801 1.00 74.21 N ATOM 1413 CA PHE A 95 28.301 3.770 -5.242 1.00 3.42 C ATOM 1414 C PHE A 95 28.497 5.213 -5.700 1.00 14.12 C ATOM 1415 O PHE A 95 28.315 6.153 -4.927 1.00 41.52 O ATOM 1416 CB PHE A 95 26.905 3.283 -5.636 1.00 1.11 C ATOM 1417 CG PHE A 95 26.735 1.796 -5.521 1.00 21.10 C ATOM 1418 CD1 PHE A 95 27.397 0.940 -6.386 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.913 1.253 -4.546 1.00 44.02 C ATOM 1420 CE1 PHE A 95 27.241 -0.430 -6.281 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.754 -0.116 -4.437 1.00 24.42 C ATOM 1422 CZ PHE A 95 26.420 -0.959 -5.305 1.00 43.33 C ATOM 0 H PHE A 95 28.088 4.417 -3.259 1.00 74.21 H new ATOM 0 HA PHE A 95 29.047 3.146 -5.734 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.165 3.775 -5.004 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.700 3.586 -6.663 1.00 1.11 H new ATOM 0 HD1 PHE A 95 28.042 1.347 -7.151 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.391 1.907 -3.863 1.00 44.02 H new ATOM 0 HE1 PHE A 95 27.762 -1.086 -6.963 1.00 25.12 H new ATOM 0 HE2 PHE A 95 25.109 -0.526 -3.674 1.00 24.42 H new ATOM 0 HZ PHE A 95 26.299 -2.029 -5.221 1.00 43.33 H new ATOM 1432 N THR A 96 28.870 5.380 -6.966 1.00 44.40 N ATOM 1433 CA THR A 96 29.093 6.706 -7.528 1.00 34.31 C ATOM 1434 C THR A 96 28.175 6.961 -8.717 1.00 25.23 C ATOM 1435 O THR A 96 27.869 6.047 -9.484 1.00 11.30 O ATOM 1436 CB THR A 96 30.555 6.888 -7.975 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.712 8.149 -8.635 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.979 5.765 -8.909 1.00 41.12 C ATOM 0 H THR A 96 29.024 4.613 -7.621 1.00 44.40 H new ATOM 0 HA THR A 96 28.870 7.425 -6.739 1.00 34.31 H new ATOM 0 HB THR A 96 31.189 6.861 -7.089 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.645 8.258 -8.915 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.015 5.915 -9.211 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.886 4.809 -8.394 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.340 5.765 -9.792 1.00 41.12 H new ATOM 1446 N ALA A 97 27.738 8.206 -8.866 1.00 2.00 N ATOM 1447 CA ALA A 97 26.855 8.581 -9.964 1.00 54.14 C ATOM 1448 C ALA A 97 27.643 8.797 -11.252 1.00 75.12 C ATOM 1449 O ALA A 97 28.849 9.040 -11.219 1.00 3.52 O ATOM 1450 CB ALA A 97 26.070 9.835 -9.607 1.00 3.33 C ATOM 0 H ALA A 97 27.981 8.974 -8.240 1.00 2.00 H new ATOM 0 HA ALA A 97 26.154 7.763 -10.129 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.415 10.103 -10.436 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.470 9.647 -8.717 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.762 10.654 -9.412 1.00 3.33 H new ATOM 1562 N TYR A 105 18.628 4.325 -4.936 1.00 3.31 N ATOM 1563 CA TYR A 105 18.436 5.476 -4.062 1.00 51.11 C ATOM 1564 C TYR A 105 18.393 5.048 -2.598 1.00 4.42 C ATOM 1565 O TYR A 105 18.946 5.717 -1.725 1.00 2.22 O ATOM 1566 CB TYR A 105 17.147 6.212 -4.428 1.00 3.13 C ATOM 1567 CG TYR A 105 16.974 6.428 -5.916 1.00 74.50 C ATOM 1568 CD1 TYR A 105 17.984 7.007 -6.674 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.803 6.054 -6.561 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.831 7.208 -8.033 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.642 6.248 -7.918 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.659 6.826 -8.650 1.00 33.34 C ATOM 1573 OH TYR A 105 16.501 7.023 -10.003 1.00 22.10 O ATOM 0 HA TYR A 105 19.282 6.149 -4.200 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.296 5.646 -4.050 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.135 7.179 -3.925 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.904 7.305 -6.193 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.004 5.603 -5.991 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.625 7.662 -8.608 1.00 51.10 H new ATOM 0 HE2 TYR A 105 14.725 5.949 -8.404 1.00 50.15 H new ATOM 0 HH TYR A 105 15.619 6.698 -10.280 1.00 22.10 H new ATOM 1583 N THR A 106 17.730 3.925 -2.337 1.00 40.24 N ATOM 1584 CA THR A 106 17.611 3.406 -0.981 1.00 32.41 C ATOM 1585 C THR A 106 18.794 2.511 -0.629 1.00 71.02 C ATOM 1586 O THR A 106 19.277 1.747 -1.466 1.00 75.23 O ATOM 1587 CB THR A 106 16.306 2.608 -0.795 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.177 3.454 -1.036 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.222 2.026 0.607 1.00 12.31 C ATOM 0 H THR A 106 17.267 3.358 -3.048 1.00 40.24 H new ATOM 0 HA THR A 106 17.599 4.268 -0.314 1.00 32.41 H new ATOM 0 HB THR A 106 16.303 1.786 -1.511 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.357 2.991 -0.765 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.292 1.467 0.714 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.068 1.359 0.775 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.246 2.834 1.338 1.00 12.31 H new ATOM 1597 N ILE A 107 19.257 2.611 0.613 1.00 54.05 N ATOM 1598 CA ILE A 107 20.383 1.809 1.074 1.00 74.20 C ATOM 1599 C ILE A 107 19.917 0.451 1.588 1.00 63.32 C ATOM 1600 O ILE A 107 19.356 0.348 2.678 1.00 31.52 O ATOM 1601 CB ILE A 107 21.165 2.526 2.190 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.763 3.833 1.665 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.258 1.620 2.737 1.00 44.24 C ATOM 1604 CD1 ILE A 107 20.859 5.031 1.857 1.00 32.11 C ATOM 0 H ILE A 107 18.870 3.239 1.317 1.00 54.05 H new ATOM 0 HA ILE A 107 21.040 1.665 0.216 1.00 74.20 H new ATOM 0 HB ILE A 107 20.476 2.763 3.001 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.711 4.018 2.170 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.984 3.721 0.604 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.802 2.141 3.525 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.810 0.714 3.144 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.947 1.355 1.935 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.347 5.922 1.462 1.00 32.11 H new ATOM 0 HD12 ILE A 107 19.920 4.867 1.328 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.658 5.168 2.919 1.00 32.11 H new ATOM 1616 N ALA A 108 20.155 -0.589 0.795 1.00 21.23 N ATOM 1617 CA ALA A 108 19.763 -1.942 1.171 1.00 2.35 C ATOM 1618 C ALA A 108 20.895 -2.659 1.901 1.00 63.45 C ATOM 1619 O ALA A 108 21.925 -2.977 1.308 1.00 51.45 O ATOM 1620 CB ALA A 108 19.344 -2.732 -0.060 1.00 32.14 C ATOM 0 H ALA A 108 20.617 -0.520 -0.112 1.00 21.23 H new ATOM 0 HA ALA A 108 18.914 -1.871 1.851 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.054 -3.740 0.236 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.499 -2.237 -0.540 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.178 -2.785 -0.760 1.00 32.14 H new ATOM 1626 N ALA A 109 20.696 -2.908 3.191 1.00 63.22 N ATOM 1627 CA ALA A 109 21.699 -3.588 4.001 1.00 54.44 C ATOM 1628 C ALA A 109 21.108 -4.810 4.694 1.00 42.04 C ATOM 1629 O ALA A 109 20.294 -4.684 5.609 1.00 35.23 O ATOM 1630 CB ALA A 109 22.287 -2.630 5.026 1.00 2.42 C ATOM 0 H ALA A 109 19.849 -2.649 3.698 1.00 63.22 H new ATOM 0 HA ALA A 109 22.495 -3.928 3.339 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.035 -3.151 5.624 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.754 -1.790 4.513 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.494 -2.262 5.677 1.00 2.42 H new ATOM 1636 N MET A 110 21.521 -5.993 4.253 1.00 0.21 N ATOM 1637 CA MET A 110 21.032 -7.240 4.832 1.00 34.20 C ATOM 1638 C MET A 110 22.073 -7.851 5.764 1.00 44.24 C ATOM 1639 O MET A 110 23.213 -8.093 5.365 1.00 31.10 O ATOM 1640 CB MET A 110 20.672 -8.235 3.727 1.00 34.11 C ATOM 1641 CG MET A 110 19.380 -7.898 3.004 1.00 44.03 C ATOM 1642 SD MET A 110 18.747 -9.280 2.033 1.00 11.42 S ATOM 1643 CE MET A 110 17.809 -10.165 3.276 1.00 12.22 C ATOM 0 H MET A 110 22.194 -6.115 3.496 1.00 0.21 H new ATOM 0 HA MET A 110 20.137 -7.015 5.413 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.486 -8.271 3.002 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.587 -9.232 4.160 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.628 -7.597 3.733 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.548 -7.044 2.347 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.114 -11.211 3.285 1.00 12.22 H new ATOM 0 HE2 MET A 110 17.996 -9.724 4.255 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.746 -10.099 3.045 1.00 12.22 H new ATOM 1653 N LEU A 111 21.675 -8.097 7.008 1.00 51.13 N ATOM 1654 CA LEU A 111 22.575 -8.679 7.998 1.00 21.14 C ATOM 1655 C LEU A 111 22.618 -10.199 7.866 1.00 54.03 C ATOM 1656 O LEU A 111 22.160 -10.922 8.749 1.00 63.05 O ATOM 1657 CB LEU A 111 22.132 -8.292 9.410 1.00 12.44 C ATOM 1658 CG LEU A 111 22.076 -6.793 9.707 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.286 -6.086 9.117 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.787 -6.190 9.167 1.00 62.42 C ATOM 0 H LEU A 111 20.736 -7.903 7.355 1.00 51.13 H new ATOM 0 HA LEU A 111 23.576 -8.287 7.818 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.143 -8.715 9.588 1.00 12.44 H new ATOM 0 HB3 LEU A 111 22.811 -8.759 10.123 1.00 12.44 H new ATOM 0 HG LEU A 111 22.093 -6.656 10.788 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.229 -5.020 9.339 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.196 -6.499 9.552 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.302 -6.232 8.037 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.764 -5.123 9.387 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.740 -6.339 8.088 1.00 62.42 H new ATOM 0 HD23 LEU A 111 19.933 -6.676 9.638 1.00 62.42 H new ATOM 1672 N SER A 112 23.176 -10.675 6.757 1.00 54.12 N ATOM 1673 CA SER A 112 23.279 -12.109 6.508 1.00 12.24 C ATOM 1674 C SER A 112 24.186 -12.774 7.537 1.00 22.43 C ATOM 1675 O SER A 112 24.994 -12.126 8.202 1.00 1.40 O ATOM 1676 CB SER A 112 23.812 -12.365 5.097 1.00 43.45 C ATOM 1677 OG SER A 112 24.657 -11.311 4.672 1.00 13.22 O ATOM 0 H SER A 112 23.563 -10.089 6.017 1.00 54.12 H new ATOM 0 HA SER A 112 22.283 -12.542 6.595 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.362 -13.306 5.078 1.00 43.45 H new ATOM 0 HB3 SER A 112 22.978 -12.469 4.403 1.00 43.45 H new ATOM 0 HG SER A 112 24.125 -10.635 4.203 1.00 13.22 H new