USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 ASN : amide:sc= -0.264 K(o=-0.21,f=-1) USER MOD Set 1.2: A 118 ASN : amide:sc= 0.0586 K(o=-0.21,f=-1) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.141 K(o=-0.5,f=-2.3) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.643 K(o=-0.5,f=-2.3) USER MOD Set 3.1: A 55 SER OG : rot -128:sc= -0.743! USER MOD Set 3.2: A 56 LYS NZ :NH3+ -109:sc= -0.759! (180deg=-1.84!) USER MOD Set 3.3: A 57 SER OG : rot 67:sc= 1.33 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.261) USER MOD Single : A 17 SER OG : rot 66:sc= 0.768 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 173:sc= -0.286 (180deg=-0.541) USER MOD Single : A 46 ASN : amide:sc= 0.945 K(o=0.94,f=-4.6!) USER MOD Single : A 47 MET CE :methyl -164:sc= -0.0977 (180deg=-0.432) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0.258 (180deg=-0.0411) USER MOD Single : A 61 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 1.63 (180deg=0.58) USER MOD Single : A 69 SER OG : rot -80:sc= 1.29 USER MOD Single : A 71 TYR OH : rot 41:sc= 1.08 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 74 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0047) USER MOD Single : A 75 ASN : amide:sc= -0.94! C(o=-0.94!,f=-7.1!) USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= 1.08 (180deg=0.0972) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0.677 (180deg=0.521) USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= 0.445 (180deg=-1.11!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.02 K(o=-1,f=-8.4!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -166:sc= -0.0645 (180deg=-0.363) USER MOD Single : A 109 ASN : amide:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= 0.327 (180deg=-1.63!) USER MOD Single : A 112 GLN : amide:sc=-0.00188 X(o=-0.0019,f=-0.28) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0.774 (180deg=0.774) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ARG A 9 -4.628 -15.859 -5.786 1.00 0.00 N ATOM 142 CA ARG A 9 -3.275 -15.372 -5.781 1.00 0.00 C ATOM 143 C ARG A 9 -2.713 -15.441 -4.392 1.00 0.00 C ATOM 144 O ARG A 9 -3.448 -15.320 -3.412 1.00 0.00 O ATOM 145 CB ARG A 9 -3.229 -13.954 -6.259 1.00 0.00 C ATOM 146 CG ARG A 9 -3.864 -13.756 -7.613 1.00 0.00 C ATOM 147 CD ARG A 9 -3.291 -14.694 -8.676 1.00 0.00 C ATOM 148 NE ARG A 9 -4.153 -14.729 -9.851 1.00 0.00 N ATOM 149 CZ ARG A 9 -4.988 -15.722 -10.174 1.00 0.00 C ATOM 150 NH1 ARG A 9 -4.989 -16.867 -9.468 1.00 0.00 N ATOM 151 NH2 ARG A 9 -5.827 -15.568 -11.197 1.00 0.00 N ATOM 0 HA ARG A 9 -2.681 -15.995 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.734 -13.317 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.190 -13.627 -6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.939 -13.918 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.720 -12.723 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.293 -14.362 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.188 -15.698 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.116 -13.927 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.350 -16.981 -8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.629 -17.621 -9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.829 -14.697 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.467 -16.321 -11.449 1.00 0.00 H new ATOM 165 N ASP A 10 -1.437 -15.617 -4.326 1.00 0.00 N ATOM 166 CA ASP A 10 -0.719 -15.684 -3.060 1.00 0.00 C ATOM 167 C ASP A 10 0.228 -14.556 -3.100 1.00 0.00 C ATOM 168 O ASP A 10 1.308 -14.648 -3.705 1.00 0.00 O ATOM 169 CB ASP A 10 0.087 -16.964 -2.937 1.00 0.00 C ATOM 170 CG ASP A 10 0.133 -17.553 -1.521 1.00 0.00 C ATOM 171 OD1 ASP A 10 1.017 -17.194 -0.716 1.00 0.00 O ATOM 172 OD2 ASP A 10 -0.700 -18.447 -1.199 1.00 0.00 O ATOM 0 H ASP A 10 -0.840 -15.721 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.418 -15.651 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.332 -17.709 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.107 -16.770 -3.269 1.00 0.00 H new ATOM 177 N VAL A 11 -0.180 -13.477 -2.564 1.00 0.00 N ATOM 178 CA VAL A 11 0.633 -12.293 -2.635 1.00 0.00 C ATOM 179 C VAL A 11 1.686 -12.296 -1.584 1.00 0.00 C ATOM 180 O VAL A 11 1.488 -11.877 -0.447 1.00 0.00 O ATOM 181 CB VAL A 11 -0.147 -10.963 -2.622 1.00 0.00 C ATOM 182 CG1 VAL A 11 -0.866 -10.746 -3.918 1.00 0.00 C ATOM 183 CG2 VAL A 11 -1.109 -10.917 -1.473 1.00 0.00 C ATOM 0 H VAL A 11 -1.065 -13.369 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 11 1.101 -12.341 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 11 0.576 -10.157 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.407 -9.801 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.144 -10.718 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.570 -11.561 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.647 -9.969 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.820 -11.739 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.561 -11.010 -0.536 1.00 0.00 H new ATOM 193 N THR A 12 2.764 -12.871 -1.901 1.00 0.00 N ATOM 194 CA THR A 12 3.835 -12.806 -0.981 1.00 0.00 C ATOM 195 C THR A 12 4.839 -11.736 -1.317 1.00 0.00 C ATOM 196 O THR A 12 5.067 -10.831 -0.516 1.00 0.00 O ATOM 197 CB THR A 12 4.517 -14.120 -0.746 1.00 0.00 C ATOM 198 OG1 THR A 12 5.194 -14.556 -1.944 1.00 0.00 O ATOM 199 CG2 THR A 12 3.506 -15.143 -0.395 1.00 0.00 C ATOM 0 H THR A 12 2.940 -13.383 -2.765 1.00 0.00 H new ATOM 0 HA THR A 12 3.358 -12.529 -0.041 1.00 0.00 H new ATOM 0 HB THR A 12 5.238 -13.995 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.636 -15.414 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.000 -16.099 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.980 -14.839 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.792 -15.245 -1.213 1.00 0.00 H new ATOM 207 N ASP A 13 5.432 -11.795 -2.494 1.00 0.00 N ATOM 208 CA ASP A 13 6.443 -10.822 -2.810 1.00 0.00 C ATOM 209 C ASP A 13 5.825 -9.540 -3.323 1.00 0.00 C ATOM 210 O ASP A 13 6.486 -8.537 -3.414 1.00 0.00 O ATOM 211 CB ASP A 13 7.574 -11.348 -3.715 1.00 0.00 C ATOM 212 CG ASP A 13 8.804 -10.415 -3.699 1.00 0.00 C ATOM 213 OD1 ASP A 13 9.585 -10.435 -2.696 1.00 0.00 O ATOM 214 OD2 ASP A 13 8.993 -9.631 -4.641 1.00 0.00 O ATOM 0 H ASP A 13 5.236 -12.483 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 13 6.945 -10.595 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.869 -12.344 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.206 -11.446 -4.736 1.00 0.00 H new ATOM 219 N ASP A 14 4.525 -9.561 -3.619 1.00 0.00 N ATOM 220 CA ASP A 14 3.810 -8.316 -3.945 1.00 0.00 C ATOM 221 C ASP A 14 3.809 -7.517 -2.676 1.00 0.00 C ATOM 222 O ASP A 14 4.169 -6.338 -2.632 1.00 0.00 O ATOM 223 CB ASP A 14 2.347 -8.589 -4.301 1.00 0.00 C ATOM 224 CG ASP A 14 2.165 -9.584 -5.403 1.00 0.00 C ATOM 225 OD1 ASP A 14 2.422 -10.794 -5.143 1.00 0.00 O ATOM 226 OD2 ASP A 14 1.759 -9.179 -6.512 1.00 0.00 O ATOM 0 H ASP A 14 3.951 -10.404 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 14 4.287 -7.819 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.828 -8.948 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.873 -7.651 -4.590 1.00 0.00 H new ATOM 231 N VAL A 15 3.462 -8.226 -1.624 1.00 0.00 N ATOM 232 CA VAL A 15 3.422 -7.723 -0.285 1.00 0.00 C ATOM 233 C VAL A 15 4.830 -7.370 0.184 1.00 0.00 C ATOM 234 O VAL A 15 5.057 -6.309 0.781 1.00 0.00 O ATOM 235 CB VAL A 15 2.755 -8.770 0.655 1.00 0.00 C ATOM 236 CG1 VAL A 15 2.827 -8.320 2.111 1.00 0.00 C ATOM 237 CG2 VAL A 15 1.294 -8.917 0.252 1.00 0.00 C ATOM 0 H VAL A 15 3.191 -9.207 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 15 2.822 -6.813 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 15 3.283 -9.719 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.354 -9.068 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.870 -8.201 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.308 -7.368 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.810 -9.647 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.791 -7.955 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.234 -9.254 -0.783 1.00 0.00 H new ATOM 247 N LYS A 16 5.775 -8.240 -0.114 1.00 0.00 N ATOM 248 CA LYS A 16 7.144 -8.003 0.242 1.00 0.00 C ATOM 249 C LYS A 16 7.710 -6.806 -0.487 1.00 0.00 C ATOM 250 O LYS A 16 8.423 -6.039 0.112 1.00 0.00 O ATOM 251 CB LYS A 16 8.002 -9.222 0.037 1.00 0.00 C ATOM 252 CG LYS A 16 9.411 -9.041 0.570 1.00 0.00 C ATOM 253 CD LYS A 16 9.971 -10.326 1.109 1.00 0.00 C ATOM 254 CE LYS A 16 9.196 -10.772 2.341 1.00 0.00 C ATOM 255 NZ LYS A 16 9.820 -11.946 3.003 1.00 0.00 N ATOM 0 H LYS A 16 5.610 -9.119 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 16 7.156 -7.777 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.538 -10.076 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.047 -9.455 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.056 -8.669 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.408 -8.287 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.923 -11.100 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.023 -10.193 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.138 -9.946 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.174 -11.019 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.710 -11.862 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.356 -12.817 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.832 -11.982 2.764 1.00 0.00 H new ATOM 269 N SER A 17 7.377 -6.648 -1.767 1.00 0.00 N ATOM 270 CA SER A 17 7.785 -5.479 -2.540 1.00 0.00 C ATOM 271 C SER A 17 7.339 -4.218 -1.841 1.00 0.00 C ATOM 272 O SER A 17 8.118 -3.290 -1.680 1.00 0.00 O ATOM 273 CB SER A 17 7.215 -5.511 -3.963 1.00 0.00 C ATOM 274 OG SER A 17 7.762 -6.569 -4.721 1.00 0.00 O ATOM 0 H SER A 17 6.821 -7.322 -2.293 1.00 0.00 H new ATOM 0 HA SER A 17 8.872 -5.495 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.131 -5.618 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.422 -4.563 -4.459 1.00 0.00 H new ATOM 0 HG SER A 17 7.475 -7.426 -4.342 1.00 0.00 H new ATOM 280 N ILE A 18 6.098 -4.215 -1.396 1.00 0.00 N ATOM 281 CA ILE A 18 5.549 -3.101 -0.664 1.00 0.00 C ATOM 282 C ILE A 18 6.416 -2.782 0.555 1.00 0.00 C ATOM 283 O ILE A 18 6.939 -1.674 0.678 1.00 0.00 O ATOM 284 CB ILE A 18 4.101 -3.393 -0.220 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.177 -3.519 -1.444 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.622 -2.320 0.735 1.00 0.00 C ATOM 287 CD1 ILE A 18 1.756 -3.938 -1.117 1.00 0.00 C ATOM 0 H ILE A 18 5.445 -4.987 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 18 5.539 -2.236 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 18 4.075 -4.346 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.150 -2.561 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.607 -4.244 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.599 -2.536 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.268 -2.300 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.654 -1.350 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.175 -4.002 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.767 -4.911 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.304 -3.202 -0.452 1.00 0.00 H new ATOM 299 N VAL A 19 6.607 -3.776 1.403 1.00 0.00 N ATOM 300 CA VAL A 19 7.392 -3.632 2.623 1.00 0.00 C ATOM 301 C VAL A 19 8.822 -3.232 2.317 1.00 0.00 C ATOM 302 O VAL A 19 9.351 -2.330 2.922 1.00 0.00 O ATOM 303 CB VAL A 19 7.384 -4.934 3.438 1.00 0.00 C ATOM 304 CG1 VAL A 19 8.274 -4.831 4.671 1.00 0.00 C ATOM 305 CG2 VAL A 19 5.989 -5.241 3.859 1.00 0.00 C ATOM 0 H VAL A 19 6.222 -4.711 1.268 1.00 0.00 H new ATOM 0 HA VAL A 19 6.929 -2.841 3.212 1.00 0.00 H new ATOM 0 HB VAL A 19 7.775 -5.732 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.243 -5.771 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.299 -4.625 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.918 -4.023 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.979 -6.165 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.606 -4.425 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.360 -5.359 2.976 1.00 0.00 H new ATOM 315 N ARG A 20 9.395 -3.876 1.341 1.00 0.00 N ATOM 316 CA ARG A 20 10.762 -3.659 0.920 1.00 0.00 C ATOM 317 C ARG A 20 10.984 -2.203 0.499 1.00 0.00 C ATOM 318 O ARG A 20 12.008 -1.622 0.809 1.00 0.00 O ATOM 319 CB ARG A 20 11.077 -4.667 -0.209 1.00 0.00 C ATOM 320 CG ARG A 20 12.467 -4.639 -0.812 1.00 0.00 C ATOM 321 CD ARG A 20 12.705 -5.914 -1.647 1.00 0.00 C ATOM 322 NE ARG A 20 11.686 -6.126 -2.708 1.00 0.00 N ATOM 323 CZ ARG A 20 11.102 -7.332 -3.023 1.00 0.00 C ATOM 324 NH1 ARG A 20 11.365 -8.430 -2.321 1.00 0.00 N ATOM 325 NH2 ARG A 20 10.252 -7.418 -4.017 1.00 0.00 N ATOM 0 H ARG A 20 8.914 -4.591 0.795 1.00 0.00 H new ATOM 0 HA ARG A 20 11.452 -3.831 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.900 -5.670 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.359 -4.505 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.582 -3.756 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.214 -4.567 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.691 -5.858 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.712 -6.778 -0.983 1.00 0.00 H new ATOM 0 HE ARG A 20 11.395 -5.310 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.010 -8.389 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.921 -9.314 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.020 -6.588 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.823 -8.315 -4.245 1.00 0.00 H new ATOM 339 N PHE A 21 9.981 -1.612 -0.124 1.00 0.00 N ATOM 340 CA PHE A 21 10.080 -0.243 -0.601 1.00 0.00 C ATOM 341 C PHE A 21 9.623 0.793 0.392 1.00 0.00 C ATOM 342 O PHE A 21 10.031 1.945 0.344 1.00 0.00 O ATOM 343 CB PHE A 21 9.409 -0.088 -1.934 1.00 0.00 C ATOM 344 CG PHE A 21 10.249 -0.708 -2.998 1.00 0.00 C ATOM 345 CD1 PHE A 21 11.324 -0.024 -3.499 1.00 0.00 C ATOM 346 CD2 PHE A 21 9.996 -1.971 -3.454 1.00 0.00 C ATOM 347 CE1 PHE A 21 12.141 -0.589 -4.460 1.00 0.00 C ATOM 348 CE2 PHE A 21 10.801 -2.559 -4.412 1.00 0.00 C ATOM 349 CZ PHE A 21 11.876 -1.862 -4.919 1.00 0.00 C ATOM 0 H PHE A 21 9.084 -2.060 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 21 11.144 -0.047 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.426 -0.559 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.252 0.968 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.537 0.971 -3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.153 -2.519 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.983 -0.036 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.588 -3.559 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.508 -2.310 -5.672 1.00 0.00 H new ATOM 359 N VAL A 22 8.774 0.439 1.284 1.00 0.00 N ATOM 360 CA VAL A 22 8.463 1.382 2.297 1.00 0.00 C ATOM 361 C VAL A 22 9.583 1.366 3.336 1.00 0.00 C ATOM 362 O VAL A 22 9.882 2.390 3.955 1.00 0.00 O ATOM 363 CB VAL A 22 7.078 1.174 2.936 1.00 0.00 C ATOM 364 CG1 VAL A 22 5.973 1.423 1.915 1.00 0.00 C ATOM 365 CG2 VAL A 22 6.974 -0.216 3.487 1.00 0.00 C ATOM 0 H VAL A 22 8.296 -0.461 1.338 1.00 0.00 H new ATOM 0 HA VAL A 22 8.399 2.367 1.834 1.00 0.00 H new ATOM 0 HB VAL A 22 6.958 1.888 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.002 1.271 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.042 2.447 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.085 0.730 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.991 -0.356 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.110 -0.938 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.745 -0.366 4.243 1.00 0.00 H new ATOM 375 N GLN A 23 10.205 0.189 3.503 1.00 0.00 N ATOM 376 CA GLN A 23 11.369 0.037 4.358 1.00 0.00 C ATOM 377 C GLN A 23 12.544 0.867 3.846 1.00 0.00 C ATOM 378 O GLN A 23 13.110 1.640 4.606 1.00 0.00 O ATOM 379 CB GLN A 23 11.794 -1.406 4.465 1.00 0.00 C ATOM 380 CG GLN A 23 12.786 -1.632 5.575 1.00 0.00 C ATOM 381 CD GLN A 23 13.568 -2.874 5.374 1.00 0.00 C ATOM 382 OE1 GLN A 23 13.212 -3.949 5.818 1.00 0.00 O ATOM 383 NE2 GLN A 23 14.638 -2.723 4.674 1.00 0.00 N ATOM 0 H GLN A 23 9.909 -0.674 3.047 1.00 0.00 H new ATOM 0 HA GLN A 23 11.080 0.395 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.916 -2.029 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.233 -1.724 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.465 -0.781 5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.259 -1.685 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.893 -1.799 4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.231 -3.527 4.469 1.00 0.00 H new ATOM 392 N GLU A 24 12.916 0.720 2.560 1.00 0.00 N ATOM 393 CA GLU A 24 14.049 1.496 2.046 1.00 0.00 C ATOM 394 C GLU A 24 13.735 2.980 1.907 1.00 0.00 C ATOM 395 O GLU A 24 14.638 3.816 1.891 1.00 0.00 O ATOM 396 CB GLU A 24 14.785 0.856 0.817 1.00 0.00 C ATOM 397 CG GLU A 24 13.948 0.489 -0.415 1.00 0.00 C ATOM 398 CD GLU A 24 13.433 1.671 -1.203 1.00 0.00 C ATOM 399 OE1 GLU A 24 12.369 2.169 -0.875 1.00 0.00 O ATOM 400 OE2 GLU A 24 14.071 2.082 -2.171 1.00 0.00 O ATOM 0 H GLU A 24 12.468 0.098 1.887 1.00 0.00 H new ATOM 0 HA GLU A 24 14.808 1.441 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.564 1.548 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.285 -0.049 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.551 -0.135 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.099 -0.114 -0.094 1.00 0.00 H new ATOM 675 N PHE A 43 3.014 8.480 4.618 1.00 0.00 N ATOM 676 CA PHE A 43 2.326 8.087 3.408 1.00 0.00 C ATOM 677 C PHE A 43 0.940 7.706 3.794 1.00 0.00 C ATOM 678 O PHE A 43 0.688 7.495 4.951 1.00 0.00 O ATOM 679 CB PHE A 43 3.053 6.911 2.741 1.00 0.00 C ATOM 680 CG PHE A 43 4.523 7.172 2.525 1.00 0.00 C ATOM 681 CD1 PHE A 43 4.955 8.390 2.027 1.00 0.00 C ATOM 682 CD2 PHE A 43 5.469 6.210 2.839 1.00 0.00 C ATOM 683 CE1 PHE A 43 6.289 8.648 1.847 1.00 0.00 C ATOM 684 CE2 PHE A 43 6.817 6.461 2.655 1.00 0.00 C ATOM 685 CZ PHE A 43 7.227 7.684 2.158 1.00 0.00 C ATOM 0 HA PHE A 43 2.306 8.905 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.935 6.021 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.583 6.698 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.229 9.149 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.151 5.255 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.606 9.606 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.547 5.703 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.278 7.885 2.013 1.00 0.00 H new ATOM 695 N THR A 44 0.045 7.678 2.867 1.00 0.00 N ATOM 696 CA THR A 44 -1.313 7.259 3.124 1.00 0.00 C ATOM 697 C THR A 44 -1.593 6.100 2.189 1.00 0.00 C ATOM 698 O THR A 44 -0.896 5.984 1.158 1.00 0.00 O ATOM 699 CB THR A 44 -2.321 8.418 2.846 1.00 0.00 C ATOM 700 OG1 THR A 44 -2.157 8.898 1.499 1.00 0.00 O ATOM 701 CG2 THR A 44 -2.118 9.583 3.815 1.00 0.00 C ATOM 0 H THR A 44 0.224 7.945 1.899 1.00 0.00 H new ATOM 0 HA THR A 44 -1.431 6.972 4.169 1.00 0.00 H new ATOM 0 HB THR A 44 -3.326 8.020 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.794 9.624 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.837 10.371 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.266 9.236 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.106 9.974 3.707 1.00 0.00 H new ATOM 709 N MET A 45 -2.558 5.228 2.526 1.00 0.00 N ATOM 710 CA MET A 45 -2.911 4.097 1.640 1.00 0.00 C ATOM 711 C MET A 45 -3.164 4.588 0.199 1.00 0.00 C ATOM 712 O MET A 45 -2.664 4.017 -0.764 1.00 0.00 O ATOM 713 CB MET A 45 -4.157 3.295 2.130 1.00 0.00 C ATOM 714 CG MET A 45 -5.452 4.126 2.235 1.00 0.00 C ATOM 715 SD MET A 45 -6.989 3.153 2.260 1.00 0.00 S ATOM 716 CE MET A 45 -6.794 2.212 3.771 1.00 0.00 C ATOM 0 H MET A 45 -3.101 5.278 3.388 1.00 0.00 H new ATOM 0 HA MET A 45 -2.054 3.424 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.329 2.463 1.448 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.936 2.866 3.107 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.407 4.729 3.142 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.491 4.818 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.713 1.665 3.980 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.970 1.507 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.579 2.890 4.597 1.00 0.00 H new ATOM 726 N ASN A 46 -3.870 5.716 0.085 1.00 0.00 N ATOM 727 CA ASN A 46 -4.239 6.290 -1.210 1.00 0.00 C ATOM 728 C ASN A 46 -3.038 6.721 -2.008 1.00 0.00 C ATOM 729 O ASN A 46 -3.034 6.598 -3.231 1.00 0.00 O ATOM 730 CB ASN A 46 -5.224 7.460 -1.072 1.00 0.00 C ATOM 731 CG ASN A 46 -6.637 7.013 -0.769 1.00 0.00 C ATOM 732 OD1 ASN A 46 -7.394 6.726 -1.682 1.00 0.00 O ATOM 733 ND2 ASN A 46 -7.021 6.990 0.490 1.00 0.00 N ATOM 0 H ASN A 46 -4.201 6.255 0.885 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.739 5.488 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.881 8.124 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.223 8.039 -1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.977 6.726 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.362 7.236 1.229 1.00 0.00 H new ATOM 740 N MET A 47 -2.017 7.192 -1.320 1.00 0.00 N ATOM 741 CA MET A 47 -0.800 7.643 -1.964 1.00 0.00 C ATOM 742 C MET A 47 -0.049 6.445 -2.502 1.00 0.00 C ATOM 743 O MET A 47 0.420 6.448 -3.632 1.00 0.00 O ATOM 744 CB MET A 47 0.074 8.397 -0.951 1.00 0.00 C ATOM 745 CG MET A 47 1.422 8.870 -1.485 1.00 0.00 C ATOM 746 SD MET A 47 2.433 9.665 -0.211 1.00 0.00 S ATOM 747 CE MET A 47 1.426 11.087 0.212 1.00 0.00 C ATOM 0 H MET A 47 -2.007 7.273 -0.303 1.00 0.00 H new ATOM 0 HA MET A 47 -1.048 8.315 -2.786 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.480 9.263 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.248 7.749 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 47 1.965 8.019 -1.896 1.00 0.00 H new ATOM 0 HG3 MET A 47 1.259 9.570 -2.304 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.030 11.810 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.046 11.548 -0.700 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.589 10.768 0.833 1.00 0.00 H new ATOM 757 N LEU A 48 0.007 5.410 -1.694 1.00 0.00 N ATOM 758 CA LEU A 48 0.747 4.212 -2.025 1.00 0.00 C ATOM 759 C LEU A 48 0.127 3.447 -3.190 1.00 0.00 C ATOM 760 O LEU A 48 0.833 3.003 -4.064 1.00 0.00 O ATOM 761 CB LEU A 48 0.874 3.317 -0.801 1.00 0.00 C ATOM 762 CG LEU A 48 1.560 3.944 0.411 1.00 0.00 C ATOM 763 CD1 LEU A 48 1.622 2.952 1.548 1.00 0.00 C ATOM 764 CD2 LEU A 48 2.952 4.433 0.044 1.00 0.00 C ATOM 0 H LEU A 48 -0.460 5.375 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 48 1.741 4.523 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.124 2.995 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.426 2.421 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 48 0.975 4.804 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.113 3.412 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.611 2.653 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.186 2.074 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.425 4.876 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.552 3.593 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.879 5.181 -0.746 1.00 0.00 H new ATOM 776 N VAL A 49 -1.191 3.316 -3.204 1.00 0.00 N ATOM 777 CA VAL A 49 -1.886 2.636 -4.245 1.00 0.00 C ATOM 778 C VAL A 49 -1.716 3.371 -5.565 1.00 0.00 C ATOM 779 O VAL A 49 -1.406 2.774 -6.606 1.00 0.00 O ATOM 780 CB VAL A 49 -3.370 2.589 -3.878 1.00 0.00 C ATOM 781 CG1 VAL A 49 -4.150 2.038 -4.986 1.00 0.00 C ATOM 782 CG2 VAL A 49 -3.577 1.761 -2.653 1.00 0.00 C ATOM 0 H VAL A 49 -1.800 3.690 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.485 1.629 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.707 3.606 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.204 2.011 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.022 2.665 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.806 1.027 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.638 1.737 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.224 0.746 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.020 2.194 -1.822 1.00 0.00 H new ATOM 792 N ASP A 50 -1.899 4.667 -5.498 1.00 0.00 N ATOM 793 CA ASP A 50 -1.817 5.532 -6.676 1.00 0.00 C ATOM 794 C ASP A 50 -0.380 5.479 -7.237 1.00 0.00 C ATOM 795 O ASP A 50 -0.162 5.426 -8.439 1.00 0.00 O ATOM 796 CB ASP A 50 -2.231 6.981 -6.284 1.00 0.00 C ATOM 797 CG ASP A 50 -2.694 7.861 -7.451 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.842 7.649 -7.966 1.00 0.00 O ATOM 799 OD2 ASP A 50 -1.987 8.814 -7.840 1.00 0.00 O ATOM 0 H ASP A 50 -2.109 5.163 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.500 5.190 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.034 6.927 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.385 7.465 -5.797 1.00 0.00 H new ATOM 804 N ILE A 51 0.584 5.424 -6.344 1.00 0.00 N ATOM 805 CA ILE A 51 1.970 5.362 -6.694 1.00 0.00 C ATOM 806 C ILE A 51 2.420 4.018 -7.170 1.00 0.00 C ATOM 807 O ILE A 51 3.210 3.937 -8.080 1.00 0.00 O ATOM 808 CB ILE A 51 2.785 5.903 -5.547 1.00 0.00 C ATOM 809 CG1 ILE A 51 3.849 6.788 -6.093 1.00 0.00 C ATOM 810 CG2 ILE A 51 3.360 4.822 -4.696 1.00 0.00 C ATOM 811 CD1 ILE A 51 4.254 7.887 -5.184 1.00 0.00 C ATOM 0 H ILE A 51 0.414 5.422 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 51 2.132 5.994 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 51 2.128 6.477 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.725 6.183 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.501 7.218 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.938 5.266 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.553 4.219 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.010 4.190 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.033 8.484 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.392 8.519 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.635 7.467 -4.253 1.00 0.00 H new ATOM 823 N PHE A 52 1.904 2.993 -6.568 1.00 0.00 N ATOM 824 CA PHE A 52 2.191 1.601 -6.961 1.00 0.00 C ATOM 825 C PHE A 52 1.857 1.394 -8.444 1.00 0.00 C ATOM 826 O PHE A 52 2.606 0.744 -9.186 1.00 0.00 O ATOM 827 CB PHE A 52 1.399 0.630 -6.068 1.00 0.00 C ATOM 828 CG PHE A 52 1.665 -0.837 -6.301 1.00 0.00 C ATOM 829 CD1 PHE A 52 2.951 -1.350 -6.204 1.00 0.00 C ATOM 830 CD2 PHE A 52 0.620 -1.706 -6.576 1.00 0.00 C ATOM 831 CE1 PHE A 52 3.189 -2.699 -6.379 1.00 0.00 C ATOM 832 CE2 PHE A 52 0.854 -3.056 -6.759 1.00 0.00 C ATOM 833 CZ PHE A 52 2.140 -3.554 -6.659 1.00 0.00 C ATOM 0 H PHE A 52 1.262 3.073 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 52 3.253 1.397 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.622 0.860 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.335 0.816 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.775 -0.686 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.388 -1.324 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.194 -3.086 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.033 -3.722 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.324 -4.609 -6.799 1.00 0.00 H new ATOM 843 N LEU A 53 0.768 2.003 -8.862 1.00 0.00 N ATOM 844 CA LEU A 53 0.321 1.967 -10.244 1.00 0.00 C ATOM 845 C LEU A 53 1.051 3.003 -11.116 1.00 0.00 C ATOM 846 O LEU A 53 1.244 2.789 -12.310 1.00 0.00 O ATOM 847 CB LEU A 53 -1.193 2.196 -10.313 1.00 0.00 C ATOM 848 CG LEU A 53 -2.110 0.955 -10.266 1.00 0.00 C ATOM 849 CD1 LEU A 53 -1.814 0.013 -9.123 1.00 0.00 C ATOM 850 CD2 LEU A 53 -3.544 1.367 -10.189 1.00 0.00 C ATOM 0 H LEU A 53 0.159 2.544 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 53 0.560 0.980 -10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.471 2.850 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.409 2.737 -11.234 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.908 0.413 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.501 -0.832 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.789 -0.349 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.938 0.539 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.176 0.480 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.704 1.960 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.799 1.962 -11.066 1.00 0.00 H new ATOM 862 N GLY A 54 1.477 4.100 -10.514 1.00 0.00 N ATOM 863 CA GLY A 54 2.117 5.169 -11.277 1.00 0.00 C ATOM 864 C GLY A 54 1.067 6.070 -11.875 1.00 0.00 C ATOM 865 O GLY A 54 1.234 6.639 -12.976 1.00 0.00 O ATOM 0 H GLY A 54 1.395 4.277 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.777 5.745 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.737 4.744 -12.067 1.00 0.00 H new ATOM 869 N SER A 55 0.027 6.226 -11.110 1.00 0.00 N ATOM 870 CA SER A 55 -1.191 6.901 -11.450 1.00 0.00 C ATOM 871 C SER A 55 -1.015 8.446 -11.567 1.00 0.00 C ATOM 872 O SER A 55 0.106 8.957 -11.608 1.00 0.00 O ATOM 873 CB SER A 55 -2.199 6.501 -10.376 1.00 0.00 C ATOM 874 OG SER A 55 -3.503 7.012 -10.559 1.00 0.00 O ATOM 0 H SER A 55 0.007 5.856 -10.160 1.00 0.00 H new ATOM 0 HA SER A 55 -1.537 6.606 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.254 5.413 -10.338 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.827 6.835 -9.408 1.00 0.00 H new ATOM 0 HG SER A 55 -3.794 7.466 -9.741 1.00 0.00 H new ATOM 880 N LYS A 56 -2.153 9.147 -11.653 1.00 0.00 N ATOM 881 CA LYS A 56 -2.241 10.604 -11.892 1.00 0.00 C ATOM 882 C LYS A 56 -1.351 11.415 -10.953 1.00 0.00 C ATOM 883 O LYS A 56 -0.378 12.030 -11.372 1.00 0.00 O ATOM 884 CB LYS A 56 -3.686 11.157 -11.693 1.00 0.00 C ATOM 885 CG LYS A 56 -4.847 10.430 -12.379 1.00 0.00 C ATOM 886 CD LYS A 56 -5.384 9.188 -11.614 1.00 0.00 C ATOM 887 CE LYS A 56 -6.010 9.503 -10.220 1.00 0.00 C ATOM 888 NZ LYS A 56 -5.020 9.733 -9.105 1.00 0.00 N ATOM 0 H LYS A 56 -3.069 8.708 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.916 10.718 -12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.891 11.173 -10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.695 12.192 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.666 11.135 -12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.524 10.116 -13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.135 8.694 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.567 8.480 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.638 10.389 -10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.663 8.677 -9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.046 8.929 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.063 9.823 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.267 10.606 -8.596 1.00 0.00 H new ATOM 902 N SER A 57 -1.706 11.378 -9.691 1.00 0.00 N ATOM 903 CA SER A 57 -1.125 12.211 -8.681 1.00 0.00 C ATOM 904 C SER A 57 0.210 11.669 -8.213 1.00 0.00 C ATOM 905 O SER A 57 1.183 12.410 -8.055 1.00 0.00 O ATOM 906 CB SER A 57 -2.148 12.314 -7.557 1.00 0.00 C ATOM 907 OG SER A 57 -3.055 11.184 -7.626 1.00 0.00 O ATOM 0 H SER A 57 -2.426 10.749 -9.335 1.00 0.00 H new ATOM 0 HA SER A 57 -0.902 13.204 -9.070 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.643 12.331 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.705 13.247 -7.642 1.00 0.00 H new ATOM 0 HG SER A 57 -2.567 10.360 -7.418 1.00 0.00 H new ATOM 913 N ALA A 58 0.274 10.387 -8.019 1.00 0.00 N ATOM 914 CA ALA A 58 1.490 9.778 -7.695 1.00 0.00 C ATOM 915 C ALA A 58 2.142 9.342 -8.966 1.00 0.00 C ATOM 916 O ALA A 58 2.059 8.180 -9.372 1.00 0.00 O ATOM 917 CB ALA A 58 1.288 8.635 -6.767 1.00 0.00 C ATOM 0 H ALA A 58 -0.521 9.752 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 58 2.135 10.487 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.251 8.182 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.822 8.990 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.643 7.894 -7.238 1.00 0.00 H new ATOM 923 N LYS A 59 2.781 10.292 -9.606 1.00 0.00 N ATOM 924 CA LYS A 59 3.410 10.124 -10.909 1.00 0.00 C ATOM 925 C LYS A 59 4.711 9.283 -10.822 1.00 0.00 C ATOM 926 O LYS A 59 5.537 9.338 -11.723 1.00 0.00 O ATOM 927 CB LYS A 59 3.672 11.515 -11.550 1.00 0.00 C ATOM 928 CG LYS A 59 3.986 11.507 -13.070 1.00 0.00 C ATOM 929 CD LYS A 59 2.729 11.456 -13.985 1.00 0.00 C ATOM 930 CE LYS A 59 1.791 10.274 -13.718 1.00 0.00 C ATOM 931 NZ LYS A 59 2.464 8.949 -13.834 1.00 0.00 N ATOM 0 H LYS A 59 2.885 11.234 -9.229 1.00 0.00 H new ATOM 0 HA LYS A 59 2.726 9.567 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.797 12.143 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.506 11.984 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.562 12.399 -13.314 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.618 10.648 -13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.168 12.383 -13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.054 11.417 -15.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.369 10.373 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.959 10.314 -14.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.836 8.207 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.679 8.755 -14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.348 8.959 -13.286 1.00 0.00 H new ATOM 945 N ILE A 60 4.784 8.434 -9.783 1.00 0.00 N ATOM 946 CA ILE A 60 5.909 7.603 -9.421 1.00 0.00 C ATOM 947 C ILE A 60 6.921 8.382 -8.603 1.00 0.00 C ATOM 948 O ILE A 60 7.344 9.456 -8.997 1.00 0.00 O ATOM 949 CB ILE A 60 6.586 6.983 -10.629 1.00 0.00 C ATOM 950 CG1 ILE A 60 5.648 6.020 -11.370 1.00 0.00 C ATOM 951 CG2 ILE A 60 7.886 6.316 -10.224 1.00 0.00 C ATOM 952 CD1 ILE A 60 6.228 5.466 -12.657 1.00 0.00 C ATOM 0 H ILE A 60 4.000 8.314 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 60 5.509 6.790 -8.815 1.00 0.00 H new ATOM 0 HB ILE A 60 6.828 7.780 -11.332 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.399 5.190 -10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.716 6.538 -11.596 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.359 5.876 -11.102 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.554 7.057 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.681 5.534 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.506 4.794 -13.122 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.451 6.287 -13.339 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.144 4.918 -12.437 1.00 0.00 H new ATOM 964 N GLN A 61 7.295 7.837 -7.454 1.00 0.00 N ATOM 965 CA GLN A 61 8.274 8.472 -6.606 1.00 0.00 C ATOM 966 C GLN A 61 9.335 7.506 -6.035 1.00 0.00 C ATOM 967 O GLN A 61 9.471 7.334 -4.810 1.00 0.00 O ATOM 968 CB GLN A 61 7.649 9.445 -5.580 1.00 0.00 C ATOM 969 CG GLN A 61 7.163 10.757 -6.221 1.00 0.00 C ATOM 970 CD GLN A 61 5.944 11.368 -5.565 1.00 0.00 C ATOM 971 OE1 GLN A 61 6.038 12.149 -4.644 1.00 0.00 O ATOM 972 NE2 GLN A 61 4.782 11.042 -6.084 1.00 0.00 N ATOM 0 H GLN A 61 6.930 6.955 -7.094 1.00 0.00 H new ATOM 0 HA GLN A 61 8.858 9.116 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.810 8.955 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.384 9.674 -4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.976 11.482 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.939 10.571 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.737 10.381 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.925 11.450 -5.712 1.00 0.00 H new ATOM 981 N SER A 62 10.047 6.854 -6.975 1.00 0.00 N ATOM 982 CA SER A 62 11.154 5.902 -6.722 1.00 0.00 C ATOM 983 C SER A 62 10.662 4.553 -6.134 1.00 0.00 C ATOM 984 O SER A 62 9.804 4.520 -5.269 1.00 0.00 O ATOM 985 CB SER A 62 12.253 6.541 -5.830 1.00 0.00 C ATOM 986 OG SER A 62 13.415 5.730 -5.768 1.00 0.00 O ATOM 0 H SER A 62 9.862 6.979 -7.970 1.00 0.00 H new ATOM 0 HA SER A 62 11.596 5.673 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.515 7.523 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.862 6.694 -4.824 1.00 0.00 H new ATOM 0 HG SER A 62 14.086 6.163 -5.200 1.00 0.00 H new ATOM 992 N GLY A 63 11.210 3.452 -6.632 1.00 0.00 N ATOM 993 CA GLY A 63 10.855 2.134 -6.124 1.00 0.00 C ATOM 994 C GLY A 63 9.803 1.444 -6.970 1.00 0.00 C ATOM 995 O GLY A 63 9.795 1.587 -8.203 1.00 0.00 O ATOM 0 H GLY A 63 11.899 3.445 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.749 1.512 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.488 2.230 -5.102 1.00 0.00 H new ATOM 999 N ILE A 64 8.869 0.727 -6.306 1.00 0.00 N ATOM 1000 CA ILE A 64 7.746 0.011 -6.986 1.00 0.00 C ATOM 1001 C ILE A 64 6.702 0.940 -7.485 1.00 0.00 C ATOM 1002 O ILE A 64 5.641 0.514 -7.955 1.00 0.00 O ATOM 1003 CB ILE A 64 7.015 -0.992 -6.097 1.00 0.00 C ATOM 1004 CG1 ILE A 64 6.790 -0.432 -4.680 1.00 0.00 C ATOM 1005 CG2 ILE A 64 7.677 -2.333 -6.131 1.00 0.00 C ATOM 1006 CD1 ILE A 64 5.875 -1.264 -3.821 1.00 0.00 C ATOM 0 H ILE A 64 8.864 0.623 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 64 8.248 -0.510 -7.801 1.00 0.00 H new ATOM 0 HB ILE A 64 6.016 -1.152 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.755 -0.342 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.378 0.574 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.132 -3.024 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.678 -2.712 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.704 -2.241 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.772 -0.798 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.896 -1.334 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.294 -2.263 -3.705 1.00 0.00 H new ATOM 1018 N PHE A 65 6.986 2.181 -7.390 1.00 0.00 N ATOM 1019 CA PHE A 65 6.094 3.166 -7.794 1.00 0.00 C ATOM 1020 C PHE A 65 6.053 3.103 -9.313 1.00 0.00 C ATOM 1021 O PHE A 65 7.082 3.275 -9.994 1.00 0.00 O ATOM 1022 CB PHE A 65 6.492 4.565 -7.216 1.00 0.00 C ATOM 1023 CG PHE A 65 6.677 4.644 -5.673 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.937 3.520 -4.886 1.00 0.00 C ATOM 1025 CD2 PHE A 65 6.612 5.855 -5.037 1.00 0.00 C ATOM 1026 CE1 PHE A 65 7.114 3.615 -3.521 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.792 5.963 -3.663 1.00 0.00 C ATOM 1028 CZ PHE A 65 7.042 4.841 -2.909 1.00 0.00 C ATOM 0 H PHE A 65 7.867 2.537 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 65 5.090 3.001 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.422 4.879 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.728 5.286 -7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.001 2.551 -5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.417 6.746 -5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.308 2.728 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.735 6.931 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.181 4.924 -1.841 1.00 0.00 H new ATOM 1038 N GLY A 66 4.911 2.714 -9.816 1.00 0.00 N ATOM 1039 CA GLY A 66 4.724 2.496 -11.211 1.00 0.00 C ATOM 1040 C GLY A 66 5.338 1.188 -11.649 1.00 0.00 C ATOM 1041 O GLY A 66 5.957 1.123 -12.716 1.00 0.00 O ATOM 0 H GLY A 66 4.078 2.540 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.659 2.495 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.171 3.316 -11.773 1.00 0.00 H new ATOM 1045 N LYS A 67 5.311 0.183 -10.770 1.00 0.00 N ATOM 1046 CA LYS A 67 5.776 -1.151 -11.129 1.00 0.00 C ATOM 1047 C LYS A 67 4.653 -2.152 -10.941 1.00 0.00 C ATOM 1048 O LYS A 67 4.693 -3.253 -11.466 1.00 0.00 O ATOM 1049 CB LYS A 67 7.014 -1.546 -10.302 1.00 0.00 C ATOM 1050 CG LYS A 67 8.157 -0.547 -10.424 1.00 0.00 C ATOM 1051 CD LYS A 67 8.703 -0.478 -11.842 1.00 0.00 C ATOM 1052 CE LYS A 67 9.445 0.826 -12.081 1.00 0.00 C ATOM 1053 NZ LYS A 67 8.522 1.994 -11.992 1.00 0.00 N ATOM 0 H LYS A 67 4.974 0.271 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 67 6.072 -1.149 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.729 -1.637 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.361 -2.528 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.810 0.441 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.958 -0.827 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.374 -1.319 -12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.884 -0.569 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.244 0.933 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.916 0.805 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.962 2.819 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.629 1.768 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.331 2.210 -10.993 1.00 0.00 H new ATOM 1067 N GLY A 68 3.627 -1.737 -10.229 1.00 0.00 N ATOM 1068 CA GLY A 68 2.493 -2.582 -10.002 1.00 0.00 C ATOM 1069 C GLY A 68 1.329 -2.092 -10.802 1.00 0.00 C ATOM 1070 O GLY A 68 0.185 -2.217 -10.401 1.00 0.00 O ATOM 0 H GLY A 68 3.563 -0.814 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.731 -3.609 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.240 -2.590 -8.942 1.00 0.00 H new ATOM 1074 N SER A 69 1.640 -1.582 -11.972 1.00 0.00 N ATOM 1075 CA SER A 69 0.696 -0.979 -12.892 1.00 0.00 C ATOM 1076 C SER A 69 -0.201 -2.030 -13.566 1.00 0.00 C ATOM 1077 O SER A 69 -0.974 -1.720 -14.461 1.00 0.00 O ATOM 1078 CB SER A 69 1.498 -0.217 -13.934 1.00 0.00 C ATOM 1079 OG SER A 69 2.476 0.595 -13.291 1.00 0.00 O ATOM 0 H SER A 69 2.597 -1.575 -12.325 1.00 0.00 H new ATOM 0 HA SER A 69 0.031 -0.311 -12.345 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.983 -0.916 -14.615 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.834 0.404 -14.535 1.00 0.00 H new ATOM 0 HG SER A 69 2.053 1.414 -12.957 1.00 0.00 H new ATOM 1085 N ALA A 70 -0.077 -3.269 -13.129 1.00 0.00 N ATOM 1086 CA ALA A 70 -0.914 -4.331 -13.628 1.00 0.00 C ATOM 1087 C ALA A 70 -2.115 -4.490 -12.722 1.00 0.00 C ATOM 1088 O ALA A 70 -2.985 -5.322 -12.941 1.00 0.00 O ATOM 1089 CB ALA A 70 -0.139 -5.630 -13.771 1.00 0.00 C ATOM 0 H ALA A 70 0.601 -3.561 -12.425 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.263 -4.069 -14.627 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.801 -6.409 -14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.687 -5.486 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.254 -5.928 -12.799 1.00 0.00 H new ATOM 1095 N TYR A 71 -2.130 -3.690 -11.701 1.00 0.00 N ATOM 1096 CA TYR A 71 -3.223 -3.625 -10.793 1.00 0.00 C ATOM 1097 C TYR A 71 -4.003 -2.389 -11.108 1.00 0.00 C ATOM 1098 O TYR A 71 -3.467 -1.455 -11.677 1.00 0.00 O ATOM 1099 CB TYR A 71 -2.721 -3.531 -9.341 1.00 0.00 C ATOM 1100 CG TYR A 71 -2.167 -4.830 -8.756 1.00 0.00 C ATOM 1101 CD1 TYR A 71 -0.965 -5.389 -9.201 1.00 0.00 C ATOM 1102 CD2 TYR A 71 -2.865 -5.506 -7.766 1.00 0.00 C ATOM 1103 CE1 TYR A 71 -0.486 -6.583 -8.668 1.00 0.00 C ATOM 1104 CE2 TYR A 71 -2.398 -6.692 -7.237 1.00 0.00 C ATOM 1105 CZ TYR A 71 -1.212 -7.228 -7.684 1.00 0.00 C ATOM 1106 OH TYR A 71 -0.778 -8.428 -7.161 1.00 0.00 O ATOM 0 H TYR A 71 -1.366 -3.053 -11.475 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.833 -4.522 -10.894 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.943 -2.769 -9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.543 -3.190 -8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.399 -4.886 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.795 -5.095 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.445 -7.002 -9.020 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.964 -7.200 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 71 0.193 -8.398 -7.036 1.00 0.00 H new ATOM 1116 N SER A 72 -5.246 -2.393 -10.802 1.00 0.00 N ATOM 1117 CA SER A 72 -6.011 -1.207 -10.884 1.00 0.00 C ATOM 1118 C SER A 72 -6.222 -0.745 -9.446 1.00 0.00 C ATOM 1119 O SER A 72 -5.877 -1.488 -8.501 1.00 0.00 O ATOM 1120 CB SER A 72 -7.346 -1.467 -11.610 1.00 0.00 C ATOM 1121 OG SER A 72 -8.117 -0.276 -11.749 1.00 0.00 O ATOM 0 H SER A 72 -5.761 -3.216 -10.488 1.00 0.00 H new ATOM 0 HA SER A 72 -5.504 -0.436 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.147 -1.888 -12.596 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.921 -2.209 -11.057 1.00 0.00 H new ATOM 0 HG SER A 72 -8.954 -0.481 -12.215 1.00 0.00 H new ATOM 1127 N ARG A 73 -6.780 0.454 -9.264 1.00 0.00 N ATOM 1128 CA ARG A 73 -7.048 1.018 -7.926 1.00 0.00 C ATOM 1129 C ARG A 73 -7.839 0.049 -7.083 1.00 0.00 C ATOM 1130 O ARG A 73 -7.556 -0.150 -5.929 1.00 0.00 O ATOM 1131 CB ARG A 73 -7.842 2.328 -8.037 1.00 0.00 C ATOM 1132 CG ARG A 73 -7.038 3.565 -8.413 1.00 0.00 C ATOM 1133 CD ARG A 73 -6.110 3.996 -7.277 1.00 0.00 C ATOM 1134 NE ARG A 73 -6.847 4.228 -6.015 1.00 0.00 N ATOM 1135 CZ ARG A 73 -6.589 5.172 -5.099 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -5.575 6.037 -5.265 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -7.355 5.227 -4.015 1.00 0.00 N ATOM 0 H ARG A 73 -7.060 1.064 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.084 1.210 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.629 2.191 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.333 2.514 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.449 3.360 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.717 4.381 -8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.352 3.229 -7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.586 4.908 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.632 3.606 -5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.988 5.981 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.392 6.750 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.118 4.561 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.180 5.936 -3.302 1.00 0.00 H new ATOM 1151 N HIS A 74 -8.751 -0.622 -7.728 1.00 0.00 N ATOM 1152 CA HIS A 74 -9.710 -1.486 -7.054 1.00 0.00 C ATOM 1153 C HIS A 74 -8.977 -2.697 -6.449 1.00 0.00 C ATOM 1154 O HIS A 74 -9.172 -3.044 -5.284 1.00 0.00 O ATOM 1155 CB HIS A 74 -10.788 -1.924 -8.071 1.00 0.00 C ATOM 1156 CG HIS A 74 -12.119 -2.304 -7.475 1.00 0.00 C ATOM 1157 ND1 HIS A 74 -13.050 -3.059 -8.136 1.00 0.00 N ATOM 1158 CD2 HIS A 74 -12.703 -1.942 -6.312 1.00 0.00 C ATOM 1159 CE1 HIS A 74 -14.147 -3.131 -7.422 1.00 0.00 C ATOM 1160 NE2 HIS A 74 -13.964 -2.473 -6.299 1.00 0.00 N ATOM 0 H HIS A 74 -8.860 -0.593 -8.742 1.00 0.00 H new ATOM 0 HA HIS A 74 -10.199 -0.952 -6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -10.945 -1.112 -8.781 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.406 -2.774 -8.637 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.256 -1.342 -5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.052 -3.646 -7.709 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -14.646 -2.375 -5.546 1.00 0.00 H new ATOM 1169 N ASN A 75 -8.080 -3.257 -7.237 1.00 0.00 N ATOM 1170 CA ASN A 75 -7.294 -4.437 -6.869 1.00 0.00 C ATOM 1171 C ASN A 75 -6.319 -4.067 -5.770 1.00 0.00 C ATOM 1172 O ASN A 75 -6.332 -4.647 -4.674 1.00 0.00 O ATOM 1173 CB ASN A 75 -6.483 -4.911 -8.087 1.00 0.00 C ATOM 1174 CG ASN A 75 -7.318 -5.032 -9.333 1.00 0.00 C ATOM 1175 OD1 ASN A 75 -7.508 -4.054 -10.035 1.00 0.00 O ATOM 1176 ND2 ASN A 75 -7.758 -6.194 -9.654 1.00 0.00 N ATOM 0 H ASN A 75 -7.867 -2.904 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.968 -5.225 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.667 -4.212 -8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.031 -5.877 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.284 -6.319 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.582 -6.992 -9.044 1.00 0.00 H new ATOM 1183 N ALA A 76 -5.506 -3.049 -6.055 1.00 0.00 N ATOM 1184 CA ALA A 76 -4.473 -2.591 -5.144 1.00 0.00 C ATOM 1185 C ALA A 76 -5.067 -2.199 -3.804 1.00 0.00 C ATOM 1186 O ALA A 76 -4.562 -2.607 -2.757 1.00 0.00 O ATOM 1187 CB ALA A 76 -3.707 -1.433 -5.752 1.00 0.00 C ATOM 0 H ALA A 76 -5.551 -2.522 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.778 -3.413 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.936 -1.101 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.241 -1.754 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.392 -0.610 -5.954 1.00 0.00 H new ATOM 1193 N GLU A 77 -6.171 -1.464 -3.833 1.00 0.00 N ATOM 1194 CA GLU A 77 -6.826 -1.069 -2.613 1.00 0.00 C ATOM 1195 C GLU A 77 -7.327 -2.248 -1.817 1.00 0.00 C ATOM 1196 O GLU A 77 -7.262 -2.216 -0.611 1.00 0.00 O ATOM 1197 CB GLU A 77 -7.935 -0.049 -2.830 1.00 0.00 C ATOM 1198 CG GLU A 77 -7.425 1.329 -3.180 1.00 0.00 C ATOM 1199 CD GLU A 77 -8.524 2.339 -3.310 1.00 0.00 C ATOM 1200 OE1 GLU A 77 -9.201 2.612 -2.291 1.00 0.00 O ATOM 1201 OE2 GLU A 77 -8.718 2.880 -4.421 1.00 0.00 O ATOM 0 H GLU A 77 -6.622 -1.136 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.053 -0.576 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.589 -0.399 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.541 0.015 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.724 1.658 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.871 1.279 -4.117 1.00 0.00 H new ATOM 1208 N ARG A 78 -7.767 -3.325 -2.470 1.00 0.00 N ATOM 1209 CA ARG A 78 -8.260 -4.468 -1.704 1.00 0.00 C ATOM 1210 C ARG A 78 -7.140 -5.107 -0.947 1.00 0.00 C ATOM 1211 O ARG A 78 -7.334 -5.639 0.143 1.00 0.00 O ATOM 1212 CB ARG A 78 -8.954 -5.529 -2.556 1.00 0.00 C ATOM 1213 CG ARG A 78 -10.269 -5.109 -3.162 1.00 0.00 C ATOM 1214 CD ARG A 78 -11.250 -4.559 -2.120 1.00 0.00 C ATOM 1215 NE ARG A 78 -11.421 -5.432 -0.925 1.00 0.00 N ATOM 1216 CZ ARG A 78 -12.598 -5.962 -0.530 1.00 0.00 C ATOM 1217 NH1 ARG A 78 -13.570 -6.154 -1.411 1.00 0.00 N ATOM 1218 NH2 ARG A 78 -12.736 -6.431 0.719 1.00 0.00 N ATOM 0 H ARG A 78 -7.793 -3.429 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.009 -4.065 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.280 -5.824 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.122 -6.413 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.088 -4.349 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.721 -5.963 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.904 -3.578 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.221 -4.414 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.593 -5.643 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.429 -5.901 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.459 -6.555 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.952 -6.387 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.625 -6.832 1.018 1.00 0.00 H new ATOM 1232 N LEU A 79 -5.972 -5.014 -1.505 1.00 0.00 N ATOM 1233 CA LEU A 79 -4.825 -5.612 -0.918 1.00 0.00 C ATOM 1234 C LEU A 79 -4.291 -4.779 0.192 1.00 0.00 C ATOM 1235 O LEU A 79 -4.070 -5.292 1.271 1.00 0.00 O ATOM 1236 CB LEU A 79 -3.788 -5.772 -1.926 1.00 0.00 C ATOM 1237 CG LEU A 79 -2.856 -6.915 -1.710 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -2.058 -6.992 -2.884 1.00 0.00 C ATOM 1239 CD2 LEU A 79 -1.937 -6.761 -0.526 1.00 0.00 C ATOM 0 H LEU A 79 -5.793 -4.521 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.119 -6.582 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.266 -5.894 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.204 -4.853 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.452 -7.805 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.350 -7.815 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.699 -7.163 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.513 -6.057 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.296 -7.639 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.320 -5.872 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.529 -6.661 0.384 1.00 0.00 H new ATOM 1251 N PHE A 80 -4.074 -3.491 -0.059 1.00 0.00 N ATOM 1252 CA PHE A 80 -3.566 -2.593 0.986 1.00 0.00 C ATOM 1253 C PHE A 80 -4.501 -2.582 2.166 1.00 0.00 C ATOM 1254 O PHE A 80 -4.098 -2.391 3.311 1.00 0.00 O ATOM 1255 CB PHE A 80 -3.319 -1.171 0.467 1.00 0.00 C ATOM 1256 CG PHE A 80 -2.064 -1.012 -0.363 1.00 0.00 C ATOM 1257 CD1 PHE A 80 -2.068 -1.252 -1.724 1.00 0.00 C ATOM 1258 CD2 PHE A 80 -0.883 -0.595 0.232 1.00 0.00 C ATOM 1259 CE1 PHE A 80 -0.926 -1.083 -2.481 1.00 0.00 C ATOM 1260 CE2 PHE A 80 0.265 -0.428 -0.518 1.00 0.00 C ATOM 1261 CZ PHE A 80 0.242 -0.670 -1.878 1.00 0.00 C ATOM 0 H PHE A 80 -4.238 -3.046 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.599 -2.981 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.176 -0.863 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.264 -0.492 1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.980 -1.577 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.860 -0.399 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.948 -1.274 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.180 -0.108 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.137 -0.536 -2.467 1.00 0.00 H new ATOM 1271 N LYS A 81 -5.725 -2.931 1.888 1.00 0.00 N ATOM 1272 CA LYS A 81 -6.727 -2.946 2.921 1.00 0.00 C ATOM 1273 C LYS A 81 -6.756 -4.300 3.599 1.00 0.00 C ATOM 1274 O LYS A 81 -7.119 -4.414 4.767 1.00 0.00 O ATOM 1275 CB LYS A 81 -8.089 -2.474 2.401 1.00 0.00 C ATOM 1276 CG LYS A 81 -8.039 -0.995 1.994 1.00 0.00 C ATOM 1277 CD LYS A 81 -9.272 -0.520 1.234 1.00 0.00 C ATOM 1278 CE LYS A 81 -9.011 0.869 0.639 1.00 0.00 C ATOM 1279 NZ LYS A 81 -10.109 1.345 -0.244 1.00 0.00 N ATOM 0 H LYS A 81 -6.054 -3.207 0.963 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.460 -2.220 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.386 -3.081 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.846 -2.618 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.920 -0.386 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.157 -0.828 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.516 -1.226 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.132 -0.484 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.870 1.584 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.081 0.845 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.712 1.658 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.783 0.570 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.601 2.140 0.211 1.00 0.00 H new ATOM 1293 N LYS A 82 -6.286 -5.332 2.889 1.00 0.00 N ATOM 1294 CA LYS A 82 -6.158 -6.631 3.498 1.00 0.00 C ATOM 1295 C LYS A 82 -4.976 -6.557 4.436 1.00 0.00 C ATOM 1296 O LYS A 82 -5.013 -7.066 5.532 1.00 0.00 O ATOM 1297 CB LYS A 82 -5.902 -7.729 2.461 1.00 0.00 C ATOM 1298 CG LYS A 82 -5.745 -9.115 3.082 1.00 0.00 C ATOM 1299 CD LYS A 82 -5.166 -10.102 2.098 1.00 0.00 C ATOM 1300 CE LYS A 82 -4.913 -11.464 2.740 1.00 0.00 C ATOM 1301 NZ LYS A 82 -6.160 -12.205 3.040 1.00 0.00 N ATOM 0 H LYS A 82 -5.997 -5.281 1.912 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.085 -6.883 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.727 -7.748 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.001 -7.486 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.099 -9.051 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.715 -9.472 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.849 -10.219 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.231 -9.710 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.292 -12.063 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.349 -11.325 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.927 -13.181 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.663 -11.737 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.767 -12.218 2.196 1.00 0.00 H new ATOM 1315 N LEU A 83 -3.936 -5.875 3.972 1.00 0.00 N ATOM 1316 CA LEU A 83 -2.725 -5.660 4.723 1.00 0.00 C ATOM 1317 C LEU A 83 -2.977 -5.058 6.079 1.00 0.00 C ATOM 1318 O LEU A 83 -2.486 -5.576 7.086 1.00 0.00 O ATOM 1319 CB LEU A 83 -1.798 -4.779 3.952 1.00 0.00 C ATOM 1320 CG LEU A 83 -1.338 -5.356 2.644 1.00 0.00 C ATOM 1321 CD1 LEU A 83 -0.453 -4.404 1.952 1.00 0.00 C ATOM 1322 CD2 LEU A 83 -0.626 -6.674 2.837 1.00 0.00 C ATOM 0 H LEU A 83 -3.920 -5.451 3.044 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.274 -6.640 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.295 -3.828 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.925 -4.564 4.568 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.222 -5.539 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.126 -4.834 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.993 -3.477 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.416 -4.196 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.308 -7.061 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.247 -6.526 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.302 -7.387 3.308 1.00 0.00 H new ATOM 1334 N ILE A 84 -3.750 -3.979 6.118 1.00 0.00 N ATOM 1335 CA ILE A 84 -4.028 -3.311 7.375 1.00 0.00 C ATOM 1336 C ILE A 84 -5.011 -4.087 8.260 1.00 0.00 C ATOM 1337 O ILE A 84 -5.002 -3.944 9.491 1.00 0.00 O ATOM 1338 CB ILE A 84 -4.403 -1.795 7.200 1.00 0.00 C ATOM 1339 CG1 ILE A 84 -5.646 -1.557 6.313 1.00 0.00 C ATOM 1340 CG2 ILE A 84 -3.217 -1.036 6.642 1.00 0.00 C ATOM 1341 CD1 ILE A 84 -6.980 -1.776 6.999 1.00 0.00 C ATOM 0 H ILE A 84 -4.189 -3.555 5.301 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.086 -3.308 7.924 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.663 -1.425 8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.613 -0.535 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.587 -2.218 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.481 0.015 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.374 -1.122 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.941 -1.453 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.788 -1.584 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.043 -2.806 7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.069 -1.096 7.846 1.00 0.00 H new ATOM 1353 N LEU A 85 -5.839 -4.919 7.643 1.00 0.00 N ATOM 1354 CA LEU A 85 -6.757 -5.753 8.398 1.00 0.00 C ATOM 1355 C LEU A 85 -6.072 -6.982 8.967 1.00 0.00 C ATOM 1356 O LEU A 85 -6.314 -7.361 10.107 1.00 0.00 O ATOM 1357 CB LEU A 85 -7.961 -6.153 7.563 1.00 0.00 C ATOM 1358 CG LEU A 85 -8.989 -5.058 7.403 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -9.979 -5.401 6.303 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -9.735 -4.830 8.715 1.00 0.00 C ATOM 0 H LEU A 85 -5.892 -5.032 6.631 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.108 -5.151 9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.619 -6.463 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.437 -7.020 8.022 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.464 -4.143 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.709 -4.597 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.447 -5.522 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.492 -6.330 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.472 -4.038 8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.240 -5.749 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.026 -4.540 9.491 1.00 0.00 H new ATOM 1372 N ASP A 86 -5.197 -7.574 8.173 1.00 0.00 N ATOM 1373 CA ASP A 86 -4.494 -8.802 8.547 1.00 0.00 C ATOM 1374 C ASP A 86 -3.262 -8.508 9.420 1.00 0.00 C ATOM 1375 O ASP A 86 -2.702 -9.406 10.030 1.00 0.00 O ATOM 1376 CB ASP A 86 -4.149 -9.636 7.286 1.00 0.00 C ATOM 1377 CG ASP A 86 -3.450 -10.950 7.589 1.00 0.00 C ATOM 1378 OD1 ASP A 86 -3.976 -11.773 8.342 1.00 0.00 O ATOM 1379 OD2 ASP A 86 -2.338 -11.184 7.073 1.00 0.00 O ATOM 0 H ASP A 86 -4.949 -7.221 7.249 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.161 -9.406 9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.068 -9.843 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.513 -9.040 6.631 1.00 0.00 H new ATOM 1384 N LYS A 87 -2.854 -7.216 9.482 1.00 0.00 N ATOM 1385 CA LYS A 87 -1.803 -6.723 10.399 1.00 0.00 C ATOM 1386 C LYS A 87 -0.441 -6.863 9.886 1.00 0.00 C ATOM 1387 O LYS A 87 0.527 -6.764 10.632 1.00 0.00 O ATOM 1388 CB LYS A 87 -1.896 -7.280 11.807 1.00 0.00 C ATOM 1389 CG LYS A 87 -2.712 -6.390 12.693 1.00 0.00 C ATOM 1390 CD LYS A 87 -4.179 -6.343 12.297 1.00 0.00 C ATOM 1391 CE LYS A 87 -4.842 -5.086 12.815 1.00 0.00 C ATOM 1392 NZ LYS A 87 -4.279 -3.891 12.154 1.00 0.00 N ATOM 0 H LYS A 87 -3.250 -6.484 8.892 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.017 -5.656 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.341 -8.274 11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.895 -7.391 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.630 -6.738 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.301 -5.381 12.664 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.267 -6.384 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.694 -7.219 12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.916 -5.135 12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.701 -5.012 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.372 -3.069 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.274 -4.053 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.794 -3.709 11.269 1.00 0.00 H new ATOM 1406 N ILE A 88 -0.345 -7.067 8.618 1.00 0.00 N ATOM 1407 CA ILE A 88 0.906 -6.983 7.947 1.00 0.00 C ATOM 1408 C ILE A 88 1.281 -5.494 7.955 1.00 0.00 C ATOM 1409 O ILE A 88 2.406 -5.097 8.274 1.00 0.00 O ATOM 1410 CB ILE A 88 0.679 -7.445 6.533 1.00 0.00 C ATOM 1411 CG1 ILE A 88 0.175 -8.869 6.540 1.00 0.00 C ATOM 1412 CG2 ILE A 88 1.951 -7.340 5.700 1.00 0.00 C ATOM 1413 CD1 ILE A 88 -0.786 -9.120 5.439 1.00 0.00 C ATOM 0 H ILE A 88 -1.135 -7.298 8.015 1.00 0.00 H new ATOM 0 HA ILE A 88 1.690 -7.584 8.408 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.068 -6.795 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.019 -9.553 6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.305 -9.080 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.750 -7.682 4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.284 -6.303 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.729 -7.960 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.124 -10.155 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.643 -8.454 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.299 -8.935 4.482 1.00 0.00 H new ATOM 1425 N LEU A 89 0.288 -4.690 7.628 1.00 0.00 N ATOM 1426 CA LEU A 89 0.376 -3.251 7.677 1.00 0.00 C ATOM 1427 C LEU A 89 -0.580 -2.752 8.725 1.00 0.00 C ATOM 1428 O LEU A 89 -1.526 -3.455 9.086 1.00 0.00 O ATOM 1429 CB LEU A 89 0.002 -2.615 6.321 1.00 0.00 C ATOM 1430 CG LEU A 89 1.086 -2.511 5.236 1.00 0.00 C ATOM 1431 CD1 LEU A 89 2.134 -1.526 5.668 1.00 0.00 C ATOM 1432 CD2 LEU A 89 1.728 -3.851 4.953 1.00 0.00 C ATOM 0 H LEU A 89 -0.621 -5.031 7.314 1.00 0.00 H new ATOM 0 HA LEU A 89 1.403 -2.973 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.829 -3.185 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.368 -1.609 6.518 1.00 0.00 H new ATOM 0 HG LEU A 89 0.610 -2.171 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.903 -1.452 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.675 -0.549 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.586 -1.861 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.488 -3.734 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.191 -4.232 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.968 -4.554 4.611 1.00 0.00 H new ATOM 1444 N ASP A 90 -0.336 -1.569 9.204 1.00 0.00 N ATOM 1445 CA ASP A 90 -1.203 -0.918 10.162 1.00 0.00 C ATOM 1446 C ASP A 90 -1.130 0.541 9.954 1.00 0.00 C ATOM 1447 O ASP A 90 -0.086 1.152 10.153 1.00 0.00 O ATOM 1448 CB ASP A 90 -0.843 -1.245 11.611 1.00 0.00 C ATOM 1449 CG ASP A 90 -1.852 -2.172 12.247 1.00 0.00 C ATOM 1450 OD1 ASP A 90 -2.934 -1.701 12.666 1.00 0.00 O ATOM 1451 OD2 ASP A 90 -1.627 -3.413 12.295 1.00 0.00 O ATOM 0 H ASP A 90 0.479 -1.015 8.942 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.214 -1.290 9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.144 -1.705 11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.784 -0.322 12.188 1.00 0.00 H new ATOM 1456 N GLU A 91 -2.174 1.102 9.466 1.00 0.00 N ATOM 1457 CA GLU A 91 -2.184 2.505 9.269 1.00 0.00 C ATOM 1458 C GLU A 91 -2.821 3.291 10.422 1.00 0.00 C ATOM 1459 O GLU A 91 -3.595 2.762 11.218 1.00 0.00 O ATOM 1460 CB GLU A 91 -2.654 2.893 7.869 1.00 0.00 C ATOM 1461 CG GLU A 91 -4.045 2.527 7.455 1.00 0.00 C ATOM 1462 CD GLU A 91 -4.196 2.741 5.958 1.00 0.00 C ATOM 1463 OE1 GLU A 91 -4.374 3.902 5.510 1.00 0.00 O ATOM 1464 OE2 GLU A 91 -4.097 1.758 5.216 1.00 0.00 O ATOM 0 H GLU A 91 -3.029 0.615 9.197 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.144 2.830 9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.554 3.974 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.966 2.444 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.250 1.487 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.770 3.135 7.996 1.00 0.00 H new ATOM 1471 N ASP A 92 -2.467 4.542 10.470 1.00 0.00 N ATOM 1472 CA ASP A 92 -2.756 5.473 11.551 1.00 0.00 C ATOM 1473 C ASP A 92 -3.957 6.295 11.189 1.00 0.00 C ATOM 1474 O ASP A 92 -3.963 6.995 10.167 1.00 0.00 O ATOM 1475 CB ASP A 92 -1.546 6.392 11.661 1.00 0.00 C ATOM 1476 CG ASP A 92 -1.540 7.398 12.807 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -2.342 8.325 12.807 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -0.593 7.317 13.648 1.00 0.00 O ATOM 0 H ASP A 92 -1.936 4.978 9.716 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.953 4.948 12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.656 5.770 11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.454 6.944 10.726 1.00 0.00 H new ATOM 1483 N LEU A 93 -4.979 6.168 11.974 1.00 0.00 N ATOM 1484 CA LEU A 93 -6.187 6.885 11.773 1.00 0.00 C ATOM 1485 C LEU A 93 -6.117 8.252 12.410 1.00 0.00 C ATOM 1486 O LEU A 93 -6.257 8.404 13.626 1.00 0.00 O ATOM 1487 CB LEU A 93 -7.384 6.130 12.333 1.00 0.00 C ATOM 1488 CG LEU A 93 -7.738 4.759 11.726 1.00 0.00 C ATOM 1489 CD1 LEU A 93 -7.983 4.845 10.230 1.00 0.00 C ATOM 1490 CD2 LEU A 93 -6.719 3.667 12.061 1.00 0.00 C ATOM 0 H LEU A 93 -4.993 5.551 12.786 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.315 6.996 10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.216 5.986 13.400 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.258 6.773 12.232 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.673 4.462 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.229 3.856 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.811 5.527 10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.085 5.214 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.029 2.728 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.740 3.953 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.662 3.542 13.142 1.00 0.00 H new ATOM 1502 N TYR A 94 -5.934 9.218 11.592 1.00 0.00 N ATOM 1503 CA TYR A 94 -5.844 10.576 12.003 1.00 0.00 C ATOM 1504 C TYR A 94 -7.175 11.222 11.736 1.00 0.00 C ATOM 1505 O TYR A 94 -7.600 11.332 10.584 1.00 0.00 O ATOM 1506 CB TYR A 94 -4.725 11.287 11.228 1.00 0.00 C ATOM 1507 CG TYR A 94 -4.624 12.774 11.490 1.00 0.00 C ATOM 1508 CD1 TYR A 94 -3.992 13.260 12.625 1.00 0.00 C ATOM 1509 CD2 TYR A 94 -5.172 13.690 10.598 1.00 0.00 C ATOM 1510 CE1 TYR A 94 -3.906 14.618 12.866 1.00 0.00 C ATOM 1511 CE2 TYR A 94 -5.092 15.048 10.831 1.00 0.00 C ATOM 1512 CZ TYR A 94 -4.456 15.506 11.967 1.00 0.00 C ATOM 1513 OH TYR A 94 -4.373 16.859 12.206 1.00 0.00 O ATOM 0 H TYR A 94 -5.839 9.087 10.585 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.604 10.644 13.064 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.773 10.821 11.482 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.883 11.129 10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.560 12.566 13.331 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.668 13.332 9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.410 14.981 13.754 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.524 15.747 10.130 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.809 17.347 11.477 1.00 0.00 H new ATOM 1523 N ILE A 95 -7.852 11.596 12.768 1.00 0.00 N ATOM 1524 CA ILE A 95 -9.134 12.177 12.622 1.00 0.00 C ATOM 1525 C ILE A 95 -9.181 13.490 13.399 1.00 0.00 C ATOM 1526 O ILE A 95 -8.490 13.647 14.410 1.00 0.00 O ATOM 1527 CB ILE A 95 -10.210 11.168 13.113 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -11.581 11.542 12.660 1.00 0.00 C ATOM 1529 CG2 ILE A 95 -10.218 11.043 14.614 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -12.587 10.473 12.971 1.00 0.00 C ATOM 0 H ILE A 95 -7.530 11.506 13.732 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.340 12.402 11.576 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.937 10.210 12.671 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.881 12.473 13.142 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.570 11.728 11.586 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -10.984 10.329 14.916 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.243 10.695 14.955 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.433 12.015 15.059 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.571 10.787 12.624 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.303 9.549 12.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.619 10.305 14.048 1.00 0.00 H new ATOM 1542 N ASN A 96 -9.927 14.440 12.902 1.00 0.00 N ATOM 1543 CA ASN A 96 -10.059 15.717 13.579 1.00 0.00 C ATOM 1544 C ASN A 96 -11.353 15.712 14.387 1.00 0.00 C ATOM 1545 O ASN A 96 -12.060 14.712 14.403 1.00 0.00 O ATOM 1546 CB ASN A 96 -10.035 16.897 12.569 1.00 0.00 C ATOM 1547 CG ASN A 96 -11.290 17.018 11.705 1.00 0.00 C ATOM 1548 OD1 ASN A 96 -11.980 16.044 11.434 1.00 0.00 O ATOM 1549 ND2 ASN A 96 -11.583 18.218 11.265 1.00 0.00 N ATOM 0 H ASN A 96 -10.455 14.361 12.033 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.211 15.858 14.250 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -9.898 17.827 13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.170 16.782 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.406 18.360 10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -10.988 19.010 11.508 1.00 0.00 H new ATOM 1556 N ALA A 97 -11.694 16.839 14.998 1.00 0.00 N ATOM 1557 CA ALA A 97 -12.896 16.953 15.851 1.00 0.00 C ATOM 1558 C ALA A 97 -14.198 17.050 15.030 1.00 0.00 C ATOM 1559 O ALA A 97 -15.225 17.474 15.534 1.00 0.00 O ATOM 1560 CB ALA A 97 -12.755 18.163 16.764 1.00 0.00 C ATOM 0 H ALA A 97 -11.156 17.702 14.924 1.00 0.00 H new ATOM 0 HA ALA A 97 -12.968 16.042 16.446 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -13.640 18.249 17.394 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.873 18.044 17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.651 19.064 16.160 1.00 0.00 H new ATOM 1566 N ASN A 98 -14.131 16.647 13.782 1.00 0.00 N ATOM 1567 CA ASN A 98 -15.286 16.653 12.889 1.00 0.00 C ATOM 1568 C ASN A 98 -15.577 15.241 12.465 1.00 0.00 C ATOM 1569 O ASN A 98 -16.421 15.013 11.598 1.00 0.00 O ATOM 1570 CB ASN A 98 -15.000 17.434 11.605 1.00 0.00 C ATOM 1571 CG ASN A 98 -14.776 18.931 11.754 1.00 0.00 C ATOM 1572 OD1 ASN A 98 -14.271 19.421 12.756 1.00 0.00 O ATOM 1573 ND2 ASN A 98 -15.107 19.665 10.719 1.00 0.00 N ATOM 0 H ASN A 98 -13.274 16.303 13.348 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.115 17.111 13.428 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.117 17.003 11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.834 17.281 10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.945 20.672 10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.526 19.229 9.898 1.00 0.00 H new ATOM 1580 N ASP A 99 -14.811 14.305 13.031 1.00 0.00 N ATOM 1581 CA ASP A 99 -14.882 12.878 12.685 1.00 0.00 C ATOM 1582 C ASP A 99 -14.497 12.645 11.219 1.00 0.00 C ATOM 1583 O ASP A 99 -14.878 11.655 10.586 1.00 0.00 O ATOM 1584 CB ASP A 99 -16.239 12.230 13.038 1.00 0.00 C ATOM 1585 CG ASP A 99 -16.416 12.010 14.531 1.00 0.00 C ATOM 1586 OD1 ASP A 99 -16.916 12.926 15.220 1.00 0.00 O ATOM 1587 OD2 ASP A 99 -16.045 10.915 15.019 1.00 0.00 O ATOM 0 H ASP A 99 -14.117 14.515 13.749 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.147 12.371 13.310 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -17.046 12.864 12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.325 11.274 12.522 1.00 0.00 H new ATOM 1592 N GLN A 100 -13.657 13.527 10.714 1.00 0.00 N ATOM 1593 CA GLN A 100 -13.136 13.413 9.375 1.00 0.00 C ATOM 1594 C GLN A 100 -11.767 12.778 9.480 1.00 0.00 C ATOM 1595 O GLN A 100 -10.815 13.403 9.968 1.00 0.00 O ATOM 1596 CB GLN A 100 -13.027 14.785 8.711 1.00 0.00 C ATOM 1597 CG GLN A 100 -14.349 15.536 8.587 1.00 0.00 C ATOM 1598 CD GLN A 100 -14.190 16.933 7.991 1.00 0.00 C ATOM 1599 OE1 GLN A 100 -14.940 17.851 8.312 1.00 0.00 O ATOM 1600 NE2 GLN A 100 -13.223 17.106 7.121 1.00 0.00 N ATOM 0 H GLN A 100 -13.319 14.342 11.225 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.804 12.808 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.329 15.397 9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.600 14.660 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.032 14.957 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.808 15.618 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.615 16.326 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.080 18.021 6.693 1.00 0.00 H new ATOM 1609 N ALA A 101 -11.684 11.532 9.102 1.00 0.00 N ATOM 1610 CA ALA A 101 -10.465 10.770 9.248 1.00 0.00 C ATOM 1611 C ALA A 101 -9.729 10.574 7.950 1.00 0.00 C ATOM 1612 O ALA A 101 -10.329 10.467 6.881 1.00 0.00 O ATOM 1613 CB ALA A 101 -10.764 9.410 9.855 1.00 0.00 C ATOM 0 H ALA A 101 -12.456 11.013 8.684 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.821 11.352 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.837 8.846 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.221 9.542 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.449 8.865 9.206 1.00 0.00 H new ATOM 1619 N ILE A 102 -8.436 10.537 8.064 1.00 0.00 N ATOM 1620 CA ILE A 102 -7.563 10.170 6.991 1.00 0.00 C ATOM 1621 C ILE A 102 -6.543 9.216 7.593 1.00 0.00 C ATOM 1622 O ILE A 102 -6.181 9.356 8.762 1.00 0.00 O ATOM 1623 CB ILE A 102 -6.866 11.393 6.283 1.00 0.00 C ATOM 1624 CG1 ILE A 102 -6.144 10.926 5.002 1.00 0.00 C ATOM 1625 CG2 ILE A 102 -5.881 12.092 7.211 1.00 0.00 C ATOM 1626 CD1 ILE A 102 -5.492 12.041 4.206 1.00 0.00 C ATOM 0 H ILE A 102 -7.946 10.767 8.929 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.140 9.705 6.192 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.643 12.110 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.381 10.197 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.861 10.412 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.420 12.930 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.408 12.460 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.108 11.387 7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.008 11.623 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.251 12.760 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.747 12.542 4.824 1.00 0.00 H new ATOM 1638 N ALA A 103 -6.141 8.230 6.865 1.00 0.00 N ATOM 1639 CA ALA A 103 -5.246 7.259 7.406 1.00 0.00 C ATOM 1640 C ALA A 103 -3.879 7.330 6.753 1.00 0.00 C ATOM 1641 O ALA A 103 -3.765 7.423 5.519 1.00 0.00 O ATOM 1642 CB ALA A 103 -5.851 5.883 7.299 1.00 0.00 C ATOM 0 H ALA A 103 -6.416 8.073 5.895 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.093 7.482 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.161 5.149 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.789 5.854 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.042 5.650 6.251 1.00 0.00 H new ATOM 1648 N TYR A 104 -2.860 7.351 7.582 1.00 0.00 N ATOM 1649 CA TYR A 104 -1.484 7.366 7.138 1.00 0.00 C ATOM 1650 C TYR A 104 -0.905 5.990 7.365 1.00 0.00 C ATOM 1651 O TYR A 104 -1.134 5.414 8.388 1.00 0.00 O ATOM 1652 CB TYR A 104 -0.657 8.401 7.907 1.00 0.00 C ATOM 1653 CG TYR A 104 -1.106 9.840 7.741 1.00 0.00 C ATOM 1654 CD1 TYR A 104 -2.084 10.390 8.559 1.00 0.00 C ATOM 1655 CD2 TYR A 104 -0.534 10.652 6.771 1.00 0.00 C ATOM 1656 CE1 TYR A 104 -2.479 11.703 8.410 1.00 0.00 C ATOM 1657 CE2 TYR A 104 -0.926 11.966 6.617 1.00 0.00 C ATOM 1658 CZ TYR A 104 -1.899 12.487 7.438 1.00 0.00 C ATOM 1659 OH TYR A 104 -2.290 13.796 7.291 1.00 0.00 O ATOM 0 H TYR A 104 -2.965 7.358 8.597 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.453 7.637 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.684 8.149 8.967 1.00 0.00 H new ATOM 0 HB3 TYR A 104 0.382 8.322 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.542 9.780 9.324 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.232 10.248 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.241 12.115 9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -0.471 12.582 5.856 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.782 14.209 6.561 1.00 0.00 H new ATOM 1669 N VAL A 105 -0.065 5.534 6.493 1.00 0.00 N ATOM 1670 CA VAL A 105 0.363 4.157 6.514 1.00 0.00 C ATOM 1671 C VAL A 105 1.656 3.951 7.250 1.00 0.00 C ATOM 1672 O VAL A 105 2.639 4.673 7.060 1.00 0.00 O ATOM 1673 CB VAL A 105 0.417 3.544 5.078 1.00 0.00 C ATOM 1674 CG1 VAL A 105 1.125 2.195 5.048 1.00 0.00 C ATOM 1675 CG2 VAL A 105 -0.973 3.341 4.625 1.00 0.00 C ATOM 0 H VAL A 105 0.347 6.095 5.747 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.398 3.617 7.078 1.00 0.00 H new ATOM 0 HB VAL A 105 0.972 4.228 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.135 1.812 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.149 2.314 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.597 1.493 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.970 2.913 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.483 2.662 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.494 4.298 4.609 1.00 0.00 H new ATOM 1685 N MET A 106 1.598 2.964 8.124 1.00 0.00 N ATOM 1686 CA MET A 106 2.702 2.544 8.974 1.00 0.00 C ATOM 1687 C MET A 106 2.820 1.029 8.829 1.00 0.00 C ATOM 1688 O MET A 106 2.106 0.432 8.032 1.00 0.00 O ATOM 1689 CB MET A 106 2.421 2.884 10.457 1.00 0.00 C ATOM 1690 CG MET A 106 2.063 4.337 10.754 1.00 0.00 C ATOM 1691 SD MET A 106 3.361 5.527 10.324 1.00 0.00 S ATOM 1692 CE MET A 106 4.717 4.972 11.362 1.00 0.00 C ATOM 0 H MET A 106 0.753 2.412 8.269 1.00 0.00 H new ATOM 0 HA MET A 106 3.617 3.057 8.678 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.605 2.251 10.806 1.00 0.00 H new ATOM 0 HB3 MET A 106 3.302 2.621 11.043 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.155 4.594 10.208 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.835 4.433 11.816 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.488 5.741 11.395 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.349 4.783 12.371 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.137 4.054 10.951 1.00 0.00 H new ATOM 1702 N LEU A 107 3.654 0.410 9.623 1.00 0.00 N ATOM 1703 CA LEU A 107 3.868 -1.022 9.539 1.00 0.00 C ATOM 1704 C LEU A 107 3.122 -1.700 10.666 1.00 0.00 C ATOM 1705 O LEU A 107 2.946 -1.103 11.727 1.00 0.00 O ATOM 1706 CB LEU A 107 5.372 -1.408 9.568 1.00 0.00 C ATOM 1707 CG LEU A 107 6.210 -0.988 10.801 1.00 0.00 C ATOM 1708 CD1 LEU A 107 7.448 -1.863 10.901 1.00 0.00 C ATOM 1709 CD2 LEU A 107 6.662 0.471 10.702 1.00 0.00 C ATOM 0 H LEU A 107 4.204 0.876 10.344 1.00 0.00 H new ATOM 0 HA LEU A 107 3.485 -1.362 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.440 -2.492 9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.843 -0.980 8.683 1.00 0.00 H new ATOM 0 HG LEU A 107 5.579 -1.106 11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.035 -1.565 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.149 -2.906 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.049 -1.747 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.247 0.731 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.273 0.603 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.788 1.119 10.642 1.00 0.00 H new ATOM 1721 N GLY A 108 2.690 -2.922 10.445 1.00 0.00 N ATOM 1722 CA GLY A 108 1.900 -3.597 11.438 1.00 0.00 C ATOM 1723 C GLY A 108 2.651 -4.655 12.192 1.00 0.00 C ATOM 1724 O GLY A 108 3.856 -4.855 11.994 1.00 0.00 O ATOM 0 H GLY A 108 2.872 -3.459 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.517 -2.862 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.036 -4.053 10.954 1.00 0.00 H new ATOM 1728 N ASN A 109 1.922 -5.349 13.039 1.00 0.00 N ATOM 1729 CA ASN A 109 2.458 -6.399 13.914 1.00 0.00 C ATOM 1730 C ASN A 109 3.130 -7.525 13.124 1.00 0.00 C ATOM 1731 O ASN A 109 4.205 -8.001 13.479 1.00 0.00 O ATOM 1732 CB ASN A 109 1.324 -6.962 14.796 1.00 0.00 C ATOM 1733 CG ASN A 109 1.757 -8.112 15.703 1.00 0.00 C ATOM 1734 OD1 ASN A 109 2.220 -7.900 16.807 1.00 0.00 O ATOM 1735 ND2 ASN A 109 1.555 -9.330 15.257 1.00 0.00 N ATOM 0 H ASN A 109 0.918 -5.205 13.150 1.00 0.00 H new ATOM 0 HA ASN A 109 3.227 -5.951 14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.923 -6.157 15.412 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.513 -7.305 14.153 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.788 -10.132 15.842 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.165 -9.474 14.326 1.00 0.00 H new ATOM 1742 N LYS A 110 2.530 -7.906 12.019 1.00 0.00 N ATOM 1743 CA LYS A 110 3.038 -9.008 11.239 1.00 0.00 C ATOM 1744 C LYS A 110 3.999 -8.538 10.152 1.00 0.00 C ATOM 1745 O LYS A 110 4.302 -9.285 9.228 1.00 0.00 O ATOM 1746 CB LYS A 110 1.911 -9.846 10.625 1.00 0.00 C ATOM 1747 CG LYS A 110 0.917 -10.414 11.629 1.00 0.00 C ATOM 1748 CD LYS A 110 0.138 -11.606 11.058 1.00 0.00 C ATOM 1749 CE LYS A 110 -0.482 -11.280 9.714 1.00 0.00 C ATOM 1750 NZ LYS A 110 -1.406 -12.334 9.235 1.00 0.00 N ATOM 0 H LYS A 110 1.690 -7.468 11.641 1.00 0.00 H new ATOM 0 HA LYS A 110 3.591 -9.643 11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.369 -9.230 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.354 -10.671 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.449 -10.726 12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.217 -9.633 11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.807 -12.460 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.645 -11.898 11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.022 -10.336 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.310 -11.137 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.468 -12.296 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.050 -13.267 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.350 -12.180 9.644 1.00 0.00 H new ATOM 1764 N ALA A 111 4.546 -7.339 10.306 1.00 0.00 N ATOM 1765 CA ALA A 111 5.516 -6.823 9.336 1.00 0.00 C ATOM 1766 C ALA A 111 6.819 -7.495 9.638 1.00 0.00 C ATOM 1767 O ALA A 111 7.636 -7.786 8.768 1.00 0.00 O ATOM 1768 CB ALA A 111 5.655 -5.311 9.436 1.00 0.00 C ATOM 0 H ALA A 111 4.341 -6.709 11.081 1.00 0.00 H new ATOM 0 HA ALA A 111 5.187 -7.034 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.382 -4.963 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.690 -4.843 9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.992 -5.042 10.437 1.00 0.00 H new ATOM 1774 N GLN A 112 6.956 -7.795 10.902 1.00 0.00 N ATOM 1775 CA GLN A 112 8.030 -8.559 11.432 1.00 0.00 C ATOM 1776 C GLN A 112 7.981 -9.979 10.851 1.00 0.00 C ATOM 1777 O GLN A 112 9.005 -10.559 10.490 1.00 0.00 O ATOM 1778 CB GLN A 112 7.889 -8.559 12.957 1.00 0.00 C ATOM 1779 CG GLN A 112 8.635 -9.655 13.666 1.00 0.00 C ATOM 1780 CD GLN A 112 10.136 -9.639 13.418 1.00 0.00 C ATOM 1781 OE1 GLN A 112 10.737 -8.600 13.216 1.00 0.00 O ATOM 1782 NE2 GLN A 112 10.731 -10.804 13.389 1.00 0.00 N ATOM 0 H GLN A 112 6.288 -7.496 11.613 1.00 0.00 H new ATOM 0 HA GLN A 112 8.997 -8.133 11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.236 -7.599 13.339 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.831 -8.639 13.209 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.453 -9.571 14.737 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.234 -10.618 13.349 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.196 -11.655 13.563 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.730 -10.862 13.192 1.00 0.00 H new ATOM 1791 N THR A 113 6.783 -10.510 10.722 1.00 0.00 N ATOM 1792 CA THR A 113 6.580 -11.822 10.169 1.00 0.00 C ATOM 1793 C THR A 113 6.986 -11.812 8.678 1.00 0.00 C ATOM 1794 O THR A 113 7.469 -12.809 8.140 1.00 0.00 O ATOM 1795 CB THR A 113 5.105 -12.211 10.314 1.00 0.00 C ATOM 1796 OG1 THR A 113 4.665 -11.834 11.633 1.00 0.00 O ATOM 1797 CG2 THR A 113 4.922 -13.710 10.154 1.00 0.00 C ATOM 0 H THR A 113 5.923 -10.038 11.000 1.00 0.00 H new ATOM 0 HA THR A 113 7.192 -12.550 10.701 1.00 0.00 H new ATOM 0 HB THR A 113 4.526 -11.703 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 113 3.721 -12.074 11.744 1.00 0.00 H new ATOM 0 HG21 THR A 113 3.867 -13.961 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.269 -14.016 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 113 5.498 -14.231 10.919 1.00 0.00 H new ATOM 1805 N VAL A 114 6.824 -10.652 8.044 1.00 0.00 N ATOM 1806 CA VAL A 114 7.221 -10.450 6.661 1.00 0.00 C ATOM 1807 C VAL A 114 8.733 -10.579 6.526 1.00 0.00 C ATOM 1808 O VAL A 114 9.239 -11.245 5.597 1.00 0.00 O ATOM 1809 CB VAL A 114 6.764 -9.061 6.115 1.00 0.00 C ATOM 1810 CG1 VAL A 114 7.271 -8.810 4.696 1.00 0.00 C ATOM 1811 CG2 VAL A 114 5.251 -8.917 6.171 1.00 0.00 C ATOM 0 H VAL A 114 6.412 -9.827 8.480 1.00 0.00 H new ATOM 0 HA VAL A 114 6.728 -11.220 6.068 1.00 0.00 H new ATOM 0 HB VAL A 114 7.207 -8.306 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 114 6.930 -7.832 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.361 -8.837 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 114 6.885 -9.581 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.964 -7.939 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.789 -9.697 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.914 -9.012 7.203 1.00 0.00 H new ATOM 1821 N LEU A 115 9.437 -9.976 7.457 1.00 0.00 N ATOM 1822 CA LEU A 115 10.898 -9.995 7.490 1.00 0.00 C ATOM 1823 C LEU A 115 11.385 -11.391 7.818 1.00 0.00 C ATOM 1824 O LEU A 115 12.400 -11.843 7.314 1.00 0.00 O ATOM 1825 CB LEU A 115 11.395 -9.008 8.538 1.00 0.00 C ATOM 1826 CG LEU A 115 10.854 -7.593 8.389 1.00 0.00 C ATOM 1827 CD1 LEU A 115 11.296 -6.722 9.554 1.00 0.00 C ATOM 1828 CD2 LEU A 115 11.283 -6.973 7.063 1.00 0.00 C ATOM 0 H LEU A 115 9.016 -9.451 8.224 1.00 0.00 H new ATOM 0 HA LEU A 115 11.287 -9.706 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.126 -9.383 9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.484 -8.972 8.496 1.00 0.00 H new ATOM 0 HG LEU A 115 9.766 -7.651 8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.898 -5.715 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.922 -7.145 10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.385 -6.681 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.881 -5.963 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.371 -6.935 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.904 -7.578 6.239 1.00 0.00 H new ATOM 1840 N ASN A 116 10.603 -12.083 8.627 1.00 0.00 N ATOM 1841 CA ASN A 116 10.884 -13.457 9.018 1.00 0.00 C ATOM 1842 C ASN A 116 10.633 -14.382 7.824 1.00 0.00 C ATOM 1843 O ASN A 116 11.203 -15.452 7.724 1.00 0.00 O ATOM 1844 CB ASN A 116 9.986 -13.832 10.217 1.00 0.00 C ATOM 1845 CG ASN A 116 10.157 -15.256 10.759 1.00 0.00 C ATOM 1846 OD1 ASN A 116 9.206 -15.832 11.277 1.00 0.00 O ATOM 1847 ND2 ASN A 116 11.342 -15.817 10.671 1.00 0.00 N ATOM 0 H ASN A 116 9.748 -11.706 9.036 1.00 0.00 H new ATOM 0 HA ASN A 116 11.926 -13.564 9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 116 10.182 -13.129 11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 116 8.945 -13.698 9.923 1.00 0.00 H new ATOM 0 HD21 ASN A 116 11.490 -16.757 11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 116 12.114 -15.313 10.235 1.00 0.00 H new ATOM 1854 N GLY A 117 9.788 -13.933 6.913 1.00 0.00 N ATOM 1855 CA GLY A 117 9.540 -14.684 5.700 1.00 0.00 C ATOM 1856 C GLY A 117 8.227 -15.427 5.715 1.00 0.00 C ATOM 1857 O GLY A 117 7.721 -15.809 4.665 1.00 0.00 O ATOM 0 H GLY A 117 9.267 -13.060 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.554 -14.002 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 117 10.351 -15.397 5.550 1.00 0.00 H new ATOM 1861 N ASN A 118 7.639 -15.528 6.873 1.00 0.00 N ATOM 1862 CA ASN A 118 6.409 -16.302 7.090 1.00 0.00 C ATOM 1863 C ASN A 118 5.157 -15.506 6.735 1.00 0.00 C ATOM 1864 O ASN A 118 4.169 -15.498 7.470 1.00 0.00 O ATOM 1865 CB ASN A 118 6.354 -16.798 8.543 1.00 0.00 C ATOM 1866 CG ASN A 118 7.285 -17.974 8.800 1.00 0.00 C ATOM 1867 OD1 ASN A 118 7.506 -18.800 7.933 1.00 0.00 O ATOM 1868 ND2 ASN A 118 7.862 -18.039 9.974 1.00 0.00 N ATOM 0 H ASN A 118 7.991 -15.076 7.717 1.00 0.00 H new ATOM 0 HA ASN A 118 6.432 -17.162 6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.618 -15.979 9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 118 5.332 -17.090 8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.515 -18.795 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.659 -17.333 10.682 1.00 0.00 H new ATOM 1875 N LEU A 119 5.180 -14.883 5.585 1.00 0.00 N ATOM 1876 CA LEU A 119 4.071 -14.100 5.124 1.00 0.00 C ATOM 1877 C LEU A 119 3.584 -14.619 3.776 1.00 0.00 C ATOM 1878 O LEU A 119 3.989 -14.198 2.718 1.00 0.00 O ATOM 1879 CB LEU A 119 4.375 -12.550 5.142 1.00 0.00 C ATOM 1880 CG LEU A 119 5.344 -11.922 4.087 1.00 0.00 C ATOM 1881 CD1 LEU A 119 6.496 -12.825 3.745 1.00 0.00 C ATOM 1882 CD2 LEU A 119 4.626 -11.382 2.849 1.00 0.00 C ATOM 0 H LEU A 119 5.972 -14.907 4.943 1.00 0.00 H new ATOM 0 HA LEU A 119 3.247 -14.221 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.420 -12.033 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.773 -12.311 6.128 1.00 0.00 H new ATOM 0 HG LEU A 119 5.778 -11.049 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.135 -12.337 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.074 -13.034 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.116 -13.760 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 119 5.357 -10.961 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.088 -12.193 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.920 -10.607 3.147 1.00 0.00 H new ATOM 1894 N LYS A 120 2.846 -15.622 3.826 1.00 0.00 N ATOM 1895 CA LYS A 120 2.232 -16.073 2.637 1.00 0.00 C ATOM 1896 C LYS A 120 0.731 -15.920 2.713 1.00 0.00 C ATOM 1897 O LYS A 120 0.013 -16.785 3.239 1.00 0.00 O ATOM 1898 CB LYS A 120 2.675 -17.465 2.173 1.00 0.00 C ATOM 1899 CG LYS A 120 2.272 -18.620 3.079 1.00 0.00 C ATOM 1900 CD LYS A 120 2.291 -19.959 2.335 1.00 0.00 C ATOM 1901 CE LYS A 120 1.520 -19.885 0.992 1.00 0.00 C ATOM 1902 NZ LYS A 120 0.176 -19.239 1.114 1.00 0.00 N ATOM 0 H LYS A 120 2.638 -16.162 4.666 1.00 0.00 H new ATOM 0 HA LYS A 120 2.594 -15.418 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 120 2.263 -17.645 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 120 3.760 -17.467 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 120 2.950 -18.668 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.273 -18.439 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 120 3.323 -20.254 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.849 -20.731 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.117 -19.330 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.396 -20.893 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -0.286 -19.221 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.410 -19.780 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.289 -18.266 1.463 1.00 0.00 H new ATOM 1916 N VAL A 121 0.259 -14.818 2.232 1.00 0.00 N ATOM 1917 CA VAL A 121 -1.136 -14.529 2.322 1.00 0.00 C ATOM 1918 C VAL A 121 -1.766 -14.568 0.959 1.00 0.00 C ATOM 1919 O VAL A 121 -1.088 -14.623 -0.061 1.00 0.00 O ATOM 1920 CB VAL A 121 -1.439 -13.164 2.992 1.00 0.00 C ATOM 1921 CG1 VAL A 121 -0.720 -13.013 4.322 1.00 0.00 C ATOM 1922 CG2 VAL A 121 -1.150 -12.019 2.054 1.00 0.00 C ATOM 0 H VAL A 121 0.819 -14.101 1.771 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.565 -15.302 2.960 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.506 -13.137 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.960 -12.043 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.040 -13.804 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.356 -13.084 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.372 -11.075 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.098 -12.039 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.770 -12.113 1.163 1.00 0.00 H new ATOM 1932 N ASP A 122 -3.036 -14.512 0.960 1.00 0.00 N ATOM 1933 CA ASP A 122 -3.828 -14.574 -0.221 1.00 0.00 C ATOM 1934 C ASP A 122 -4.192 -13.203 -0.728 1.00 0.00 C ATOM 1935 O ASP A 122 -3.987 -12.191 -0.058 1.00 0.00 O ATOM 1936 CB ASP A 122 -5.099 -15.284 0.117 1.00 0.00 C ATOM 1937 CG ASP A 122 -5.881 -14.550 1.212 1.00 0.00 C ATOM 1938 OD1 ASP A 122 -5.535 -14.704 2.411 1.00 0.00 O ATOM 1939 OD2 ASP A 122 -6.783 -13.728 0.906 1.00 0.00 O ATOM 0 H ASP A 122 -3.586 -14.418 1.814 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.254 -15.087 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.717 -15.370 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.873 -16.298 0.448 1.00 0.00 H new ATOM 1944 N PHE A 123 -4.707 -13.186 -1.919 1.00 0.00 N ATOM 1945 CA PHE A 123 -5.270 -12.022 -2.527 1.00 0.00 C ATOM 1946 C PHE A 123 -6.207 -12.471 -3.611 1.00 0.00 C ATOM 1947 O PHE A 123 -5.936 -13.461 -4.305 1.00 0.00 O ATOM 1948 CB PHE A 123 -4.185 -11.105 -3.097 1.00 0.00 C ATOM 1949 CG PHE A 123 -4.693 -9.907 -3.856 1.00 0.00 C ATOM 1950 CD1 PHE A 123 -5.403 -8.900 -3.217 1.00 0.00 C ATOM 1951 CD2 PHE A 123 -4.467 -9.800 -5.221 1.00 0.00 C ATOM 1952 CE1 PHE A 123 -5.870 -7.814 -3.925 1.00 0.00 C ATOM 1953 CE2 PHE A 123 -4.934 -8.715 -5.931 1.00 0.00 C ATOM 1954 CZ PHE A 123 -5.634 -7.723 -5.283 1.00 0.00 C ATOM 0 H PHE A 123 -4.748 -14.013 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.808 -11.444 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.558 -10.756 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -3.547 -11.691 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -5.591 -8.968 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -3.918 -10.577 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -6.420 -7.035 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.751 -8.643 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 123 -6.000 -6.871 -5.837 1.00 0.00 H new ATOM 1964 N MET A 124 -7.292 -11.779 -3.752 1.00 0.00 N ATOM 1965 CA MET A 124 -8.235 -12.080 -4.793 1.00 0.00 C ATOM 1966 C MET A 124 -7.940 -11.142 -5.925 1.00 0.00 C ATOM 1967 O MET A 124 -7.938 -9.937 -5.742 1.00 0.00 O ATOM 1968 CB MET A 124 -9.700 -12.009 -4.307 1.00 0.00 C ATOM 1969 CG MET A 124 -10.162 -10.664 -3.777 1.00 0.00 C ATOM 1970 SD MET A 124 -11.838 -10.737 -3.133 1.00 0.00 S ATOM 1971 CE MET A 124 -12.078 -9.037 -2.663 1.00 0.00 C ATOM 0 H MET A 124 -7.553 -10.994 -3.156 1.00 0.00 H new ATOM 0 HA MET A 124 -8.124 -13.112 -5.126 1.00 0.00 H new ATOM 0 HB2 MET A 124 -10.350 -12.294 -5.134 1.00 0.00 H new ATOM 0 HB3 MET A 124 -9.838 -12.753 -3.522 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.485 -10.332 -2.990 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.112 -9.923 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 124 -13.076 -8.913 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.333 -8.757 -1.918 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.972 -8.399 -3.540 1.00 0.00 H new