USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0.554 K(o=0.55,f=-0.077) USER MOD Single : A 23 ASN : amide:sc= 0.351 X(o=0.35,f=-0.047) USER MOD Single : A 26 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0.671 (180deg=0.159) USER MOD Single : A 50 TYR OH : rot 12:sc= 1.26 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.12 USER MOD Single : A 68 SER OG : rot 80:sc= 1.22 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 95:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.755 K(o=0.75,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -27:sc= 0.29 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.00134 X(o=0.0013,f=-0.063) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 101 GLN : amide:sc=-0.000534 X(o=-0.00053,f=-0.47) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0105 F(o=-0.53,f=-0.011) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.67) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.254 USER MOD ----------------------------------------------------------------- ATOM 146 N LYS A 11 8.132 -14.373 5.143 1.00 72.22 N ATOM 147 CA LYS A 11 7.179 -13.364 4.725 1.00 74.41 C ATOM 148 C LYS A 11 7.664 -12.676 3.455 1.00 21.22 C ATOM 149 O LYS A 11 8.069 -11.524 3.514 1.00 33.11 O ATOM 150 CB LYS A 11 6.908 -12.435 5.930 1.00 71.20 C ATOM 151 CG LYS A 11 8.135 -11.726 6.562 1.00 33.35 C ATOM 152 CD LYS A 11 7.821 -11.011 7.890 1.00 2.32 C ATOM 153 CE LYS A 11 7.651 -11.977 9.074 1.00 30.41 C ATOM 154 NZ LYS A 11 8.810 -11.961 9.993 1.00 35.52 N ATOM 0 HA LYS A 11 6.217 -13.792 4.443 1.00 74.41 H new ATOM 0 HB2 LYS A 11 6.199 -11.669 5.615 1.00 71.20 H new ATOM 0 HB3 LYS A 11 6.418 -13.022 6.707 1.00 71.20 H new ATOM 0 HG2 LYS A 11 8.921 -12.462 6.733 1.00 33.35 H new ATOM 0 HG3 LYS A 11 8.529 -10.999 5.852 1.00 33.35 H new ATOM 0 HD2 LYS A 11 8.623 -10.309 8.115 1.00 2.32 H new ATOM 0 HD3 LYS A 11 6.909 -10.426 7.773 1.00 2.32 H new ATOM 0 HE2 LYS A 11 6.750 -11.713 9.627 1.00 30.41 H new ATOM 0 HE3 LYS A 11 7.507 -12.989 8.695 1.00 30.41 H new ATOM 0 HZ1 LYS A 11 8.644 -12.629 10.773 1.00 35.52 H new ATOM 0 HZ2 LYS A 11 9.668 -12.240 9.475 1.00 35.52 H new ATOM 0 HZ3 LYS A 11 8.934 -11.003 10.378 1.00 35.52 H new ATOM 168 N ASP A 12 7.633 -13.353 2.303 1.00 61.31 N ATOM 169 CA ASP A 12 8.093 -12.781 1.027 1.00 51.53 C ATOM 170 C ASP A 12 7.280 -11.529 0.686 1.00 54.50 C ATOM 171 O ASP A 12 7.795 -10.544 0.159 1.00 21.42 O ATOM 172 CB ASP A 12 7.996 -13.837 -0.091 1.00 40.22 C ATOM 173 CG ASP A 12 8.735 -13.477 -1.395 1.00 11.34 C ATOM 174 OD1 ASP A 12 8.171 -12.754 -2.243 1.00 50.24 O ATOM 175 OD2 ASP A 12 9.834 -14.042 -1.628 1.00 11.15 O ATOM 0 H ASP A 12 7.290 -14.310 2.225 1.00 61.31 H new ATOM 0 HA ASP A 12 9.138 -12.486 1.121 1.00 51.53 H new ATOM 0 HB2 ASP A 12 8.393 -14.780 0.285 1.00 40.22 H new ATOM 0 HB3 ASP A 12 6.944 -14.004 -0.322 1.00 40.22 H new ATOM 180 N LYS A 13 5.994 -11.526 1.048 1.00 20.11 N ATOM 181 CA LYS A 13 5.107 -10.400 0.792 1.00 62.13 C ATOM 182 C LYS A 13 5.365 -9.263 1.761 1.00 15.44 C ATOM 183 O LYS A 13 5.381 -8.113 1.344 1.00 64.02 O ATOM 184 CB LYS A 13 3.651 -10.853 0.826 1.00 21.12 C ATOM 185 CG LYS A 13 3.429 -11.927 -0.252 1.00 52.01 C ATOM 186 CD LYS A 13 1.946 -12.129 -0.590 1.00 64.10 C ATOM 187 CE LYS A 13 1.102 -12.421 0.651 1.00 62.31 C ATOM 188 NZ LYS A 13 -0.311 -12.669 0.312 1.00 1.13 N ATOM 0 H LYS A 13 5.544 -12.306 1.526 1.00 20.11 H new ATOM 0 HA LYS A 13 5.316 -10.018 -0.207 1.00 62.13 H new ATOM 0 HB2 LYS A 13 3.405 -11.252 1.810 1.00 21.12 H new ATOM 0 HB3 LYS A 13 2.990 -10.004 0.652 1.00 21.12 H new ATOM 0 HG2 LYS A 13 3.968 -11.645 -1.156 1.00 52.01 H new ATOM 0 HG3 LYS A 13 3.852 -12.872 0.090 1.00 52.01 H new ATOM 0 HD2 LYS A 13 1.564 -11.236 -1.085 1.00 64.10 H new ATOM 0 HD3 LYS A 13 1.846 -12.953 -1.297 1.00 64.10 H new ATOM 0 HE2 LYS A 13 1.508 -13.289 1.170 1.00 62.31 H new ATOM 0 HE3 LYS A 13 1.167 -11.579 1.340 1.00 62.31 H new ATOM 0 HZ1 LYS A 13 -0.848 -12.863 1.181 1.00 1.13 H new ATOM 0 HZ2 LYS A 13 -0.707 -11.831 -0.160 1.00 1.13 H new ATOM 0 HZ3 LYS A 13 -0.377 -13.488 -0.325 1.00 1.13 H new ATOM 202 N LEU A 14 5.522 -9.530 3.059 1.00 65.24 N ATOM 203 CA LEU A 14 5.783 -8.424 3.979 1.00 44.54 C ATOM 204 C LEU A 14 7.181 -7.872 3.710 1.00 23.14 C ATOM 205 O LEU A 14 7.374 -6.674 3.862 1.00 31.11 O ATOM 206 CB LEU A 14 5.610 -8.821 5.448 1.00 35.30 C ATOM 207 CG LEU A 14 4.170 -9.257 5.790 1.00 63.43 C ATOM 208 CD1 LEU A 14 4.129 -9.999 7.128 1.00 20.20 C ATOM 209 CD2 LEU A 14 3.229 -8.047 5.858 1.00 61.54 C ATOM 0 H LEU A 14 5.476 -10.457 3.482 1.00 65.24 H new ATOM 0 HA LEU A 14 5.041 -7.647 3.796 1.00 44.54 H new ATOM 0 HB2 LEU A 14 6.295 -9.636 5.681 1.00 35.30 H new ATOM 0 HB3 LEU A 14 5.889 -7.979 6.081 1.00 35.30 H new ATOM 0 HG LEU A 14 3.836 -9.925 4.996 1.00 63.43 H new ATOM 0 HD11 LEU A 14 3.104 -10.296 7.348 1.00 20.20 H new ATOM 0 HD12 LEU A 14 4.760 -10.886 7.072 1.00 20.20 H new ATOM 0 HD13 LEU A 14 4.494 -9.344 7.919 1.00 20.20 H new ATOM 0 HD21 LEU A 14 2.221 -8.383 6.101 1.00 61.54 H new ATOM 0 HD22 LEU A 14 3.577 -7.358 6.628 1.00 61.54 H new ATOM 0 HD23 LEU A 14 3.220 -7.539 4.894 1.00 61.54 H new ATOM 221 N GLN A 15 8.120 -8.709 3.260 1.00 75.11 N ATOM 222 CA GLN A 15 9.494 -8.345 2.948 1.00 0.32 C ATOM 223 C GLN A 15 9.533 -7.241 1.898 1.00 15.23 C ATOM 224 O GLN A 15 10.257 -6.264 2.080 1.00 74.41 O ATOM 225 CB GLN A 15 10.248 -9.612 2.504 1.00 3.04 C ATOM 226 CG GLN A 15 11.688 -9.447 2.005 1.00 44.41 C ATOM 227 CD GLN A 15 11.793 -9.129 0.508 1.00 30.33 C ATOM 228 OE1 GLN A 15 11.733 -10.009 -0.346 1.00 32.02 O ATOM 229 NE2 GLN A 15 11.935 -7.865 0.142 1.00 32.51 N ATOM 0 H GLN A 15 7.930 -9.698 3.098 1.00 75.11 H new ATOM 0 HA GLN A 15 9.990 -7.942 3.831 1.00 0.32 H new ATOM 0 HB2 GLN A 15 10.262 -10.306 3.345 1.00 3.04 H new ATOM 0 HB3 GLN A 15 9.670 -10.085 1.710 1.00 3.04 H new ATOM 0 HG2 GLN A 15 12.169 -8.649 2.571 1.00 44.41 H new ATOM 0 HG3 GLN A 15 12.241 -10.363 2.212 1.00 44.41 H new ATOM 0 HE21 GLN A 15 11.985 -7.132 0.849 1.00 32.51 H new ATOM 0 HE22 GLN A 15 11.994 -7.624 -0.847 1.00 32.51 H new ATOM 238 N VAL A 16 8.774 -7.370 0.805 1.00 53.24 N ATOM 239 CA VAL A 16 8.779 -6.346 -0.237 1.00 54.10 C ATOM 240 C VAL A 16 8.211 -5.021 0.282 1.00 24.13 C ATOM 241 O VAL A 16 8.721 -3.961 -0.081 1.00 43.20 O ATOM 242 CB VAL A 16 8.079 -6.843 -1.519 1.00 21.24 C ATOM 243 CG1 VAL A 16 8.856 -7.999 -2.143 1.00 24.52 C ATOM 244 CG2 VAL A 16 6.646 -7.330 -1.338 1.00 72.32 C ATOM 0 H VAL A 16 8.158 -8.162 0.623 1.00 53.24 H new ATOM 0 HA VAL A 16 9.815 -6.148 -0.514 1.00 54.10 H new ATOM 0 HB VAL A 16 8.052 -5.957 -2.154 1.00 21.24 H new ATOM 0 HG11 VAL A 16 8.346 -8.335 -3.046 1.00 24.52 H new ATOM 0 HG12 VAL A 16 9.862 -7.666 -2.397 1.00 24.52 H new ATOM 0 HG13 VAL A 16 8.916 -8.823 -1.432 1.00 24.52 H new ATOM 0 HG21 VAL A 16 6.248 -7.656 -2.299 1.00 72.32 H new ATOM 0 HG22 VAL A 16 6.631 -8.165 -0.637 1.00 72.32 H new ATOM 0 HG23 VAL A 16 6.032 -6.518 -0.948 1.00 72.32 H new ATOM 254 N ILE A 17 7.173 -5.065 1.124 1.00 74.25 N ATOM 255 CA ILE A 17 6.567 -3.854 1.664 1.00 4.35 C ATOM 256 C ILE A 17 7.491 -3.213 2.708 1.00 14.31 C ATOM 257 O ILE A 17 7.645 -1.996 2.740 1.00 14.10 O ATOM 258 CB ILE A 17 5.135 -4.086 2.191 1.00 1.03 C ATOM 259 CG1 ILE A 17 4.245 -4.907 1.234 1.00 23.33 C ATOM 260 CG2 ILE A 17 4.464 -2.720 2.396 1.00 1.33 C ATOM 261 CD1 ILE A 17 2.914 -5.309 1.879 1.00 51.21 C ATOM 0 H ILE A 17 6.738 -5.930 1.444 1.00 74.25 H new ATOM 0 HA ILE A 17 6.454 -3.145 0.844 1.00 4.35 H new ATOM 0 HB ILE A 17 5.231 -4.654 3.117 1.00 1.03 H new ATOM 0 HG12 ILE A 17 4.049 -4.324 0.334 1.00 23.33 H new ATOM 0 HG13 ILE A 17 4.781 -5.804 0.923 1.00 23.33 H new ATOM 0 HG21 ILE A 17 3.450 -2.865 2.769 1.00 1.33 H new ATOM 0 HG22 ILE A 17 5.036 -2.138 3.119 1.00 1.33 H new ATOM 0 HG23 ILE A 17 4.429 -2.186 1.447 1.00 1.33 H new ATOM 0 HD11 ILE A 17 2.323 -5.885 1.166 1.00 51.21 H new ATOM 0 HD12 ILE A 17 3.107 -5.916 2.764 1.00 51.21 H new ATOM 0 HD13 ILE A 17 2.364 -4.413 2.166 1.00 51.21 H new ATOM 273 N ASP A 18 8.116 -4.006 3.568 1.00 4.41 N ATOM 274 CA ASP A 18 9.022 -3.505 4.599 1.00 60.34 C ATOM 275 C ASP A 18 10.251 -2.861 3.945 1.00 12.34 C ATOM 276 O ASP A 18 10.802 -1.895 4.482 1.00 60.24 O ATOM 277 CB ASP A 18 9.387 -4.653 5.540 1.00 0.31 C ATOM 278 CG ASP A 18 10.016 -4.161 6.838 1.00 12.32 C ATOM 279 OD1 ASP A 18 9.260 -3.789 7.764 1.00 53.30 O ATOM 280 OD2 ASP A 18 11.253 -4.289 6.998 1.00 50.21 O ATOM 0 H ASP A 18 8.010 -5.020 3.572 1.00 4.41 H new ATOM 0 HA ASP A 18 8.539 -2.729 5.193 1.00 60.34 H new ATOM 0 HB2 ASP A 18 8.491 -5.230 5.769 1.00 0.31 H new ATOM 0 HB3 ASP A 18 10.080 -5.326 5.036 1.00 0.31 H new ATOM 285 N TRP A 19 10.645 -3.368 2.769 1.00 25.34 N ATOM 286 CA TRP A 19 11.764 -2.890 1.971 1.00 50.20 C ATOM 287 C TRP A 19 11.410 -1.537 1.349 1.00 51.14 C ATOM 288 O TRP A 19 12.148 -0.572 1.561 1.00 32.54 O ATOM 289 CB TRP A 19 12.109 -3.918 0.877 1.00 3.13 C ATOM 290 CG TRP A 19 13.022 -3.401 -0.192 1.00 52.22 C ATOM 291 CD1 TRP A 19 12.627 -2.825 -1.352 1.00 14.03 C ATOM 292 CD2 TRP A 19 14.472 -3.264 -0.155 1.00 22.34 C ATOM 293 NE1 TRP A 19 13.726 -2.335 -2.024 1.00 44.24 N ATOM 294 CE2 TRP A 19 14.890 -2.557 -1.321 1.00 20.10 C ATOM 295 CE3 TRP A 19 15.468 -3.607 0.784 1.00 1.40 C ATOM 296 CZ2 TRP A 19 16.223 -2.168 -1.518 1.00 14.02 C ATOM 297 CZ3 TRP A 19 16.808 -3.229 0.589 1.00 63.14 C ATOM 298 CH2 TRP A 19 17.181 -2.483 -0.542 1.00 54.32 C ATOM 0 H TRP A 19 10.166 -4.157 2.336 1.00 25.34 H new ATOM 0 HA TRP A 19 12.638 -2.764 2.610 1.00 50.20 H new ATOM 0 HB2 TRP A 19 12.572 -4.787 1.345 1.00 3.13 H new ATOM 0 HB3 TRP A 19 11.184 -4.261 0.413 1.00 3.13 H new ATOM 0 HD1 TRP A 19 11.606 -2.760 -1.698 1.00 14.03 H new ATOM 0 HE1 TRP A 19 13.683 -1.866 -2.929 1.00 44.24 H new ATOM 0 HE3 TRP A 19 15.197 -4.168 1.666 1.00 1.40 H new ATOM 0 HZ2 TRP A 19 16.509 -1.632 -2.411 1.00 14.02 H new ATOM 0 HZ3 TRP A 19 17.556 -3.514 1.314 1.00 63.14 H new ATOM 0 HH2 TRP A 19 18.203 -2.153 -0.660 1.00 54.32 H new ATOM 309 N LEU A 20 10.290 -1.438 0.608 1.00 34.22 N ATOM 310 CA LEU A 20 9.896 -0.173 -0.019 1.00 73.52 C ATOM 311 C LEU A 20 9.678 0.921 1.033 1.00 71.03 C ATOM 312 O LEU A 20 9.969 2.082 0.756 1.00 14.41 O ATOM 313 CB LEU A 20 8.717 -0.355 -1.002 1.00 51.31 C ATOM 314 CG LEU A 20 7.362 -0.783 -0.405 1.00 2.35 C ATOM 315 CD1 LEU A 20 6.460 0.404 -0.057 1.00 0.30 C ATOM 316 CD2 LEU A 20 6.565 -1.736 -1.312 1.00 51.12 C ATOM 0 H LEU A 20 9.651 -2.214 0.433 1.00 34.22 H new ATOM 0 HA LEU A 20 10.722 0.174 -0.640 1.00 73.52 H new ATOM 0 HB2 LEU A 20 8.571 0.586 -1.532 1.00 51.31 H new ATOM 0 HB3 LEU A 20 9.008 -1.097 -1.745 1.00 51.31 H new ATOM 0 HG LEU A 20 7.640 -1.311 0.507 1.00 2.35 H new ATOM 0 HD11 LEU A 20 5.521 0.038 0.359 1.00 0.30 H new ATOM 0 HD12 LEU A 20 6.959 1.038 0.676 1.00 0.30 H new ATOM 0 HD13 LEU A 20 6.256 0.983 -0.958 1.00 0.30 H new ATOM 0 HD21 LEU A 20 5.623 -1.995 -0.829 1.00 51.12 H new ATOM 0 HD22 LEU A 20 6.361 -1.247 -2.264 1.00 51.12 H new ATOM 0 HD23 LEU A 20 7.145 -2.642 -1.486 1.00 51.12 H new ATOM 328 N ILE A 21 9.197 0.565 2.230 1.00 71.15 N ATOM 329 CA ILE A 21 8.976 1.518 3.309 1.00 2.22 C ATOM 330 C ILE A 21 10.336 2.027 3.814 1.00 24.34 C ATOM 331 O ILE A 21 10.505 3.240 3.933 1.00 24.23 O ATOM 332 CB ILE A 21 8.124 0.880 4.430 1.00 1.00 C ATOM 333 CG1 ILE A 21 6.659 0.694 3.960 1.00 70.21 C ATOM 334 CG2 ILE A 21 8.192 1.746 5.702 1.00 61.05 C ATOM 335 CD1 ILE A 21 5.834 -0.214 4.871 1.00 42.41 C ATOM 0 H ILE A 21 8.952 -0.395 2.472 1.00 71.15 H new ATOM 0 HA ILE A 21 8.411 2.376 2.944 1.00 2.22 H new ATOM 0 HB ILE A 21 8.527 -0.105 4.664 1.00 1.00 H new ATOM 0 HG12 ILE A 21 6.178 1.670 3.903 1.00 70.21 H new ATOM 0 HG13 ILE A 21 6.660 0.279 2.952 1.00 70.21 H new ATOM 0 HG21 ILE A 21 7.589 1.289 6.486 1.00 61.05 H new ATOM 0 HG22 ILE A 21 9.227 1.820 6.037 1.00 61.05 H new ATOM 0 HG23 ILE A 21 7.809 2.743 5.484 1.00 61.05 H new ATOM 0 HD11 ILE A 21 4.820 -0.298 4.480 1.00 42.41 H new ATOM 0 HD12 ILE A 21 6.291 -1.203 4.909 1.00 42.41 H new ATOM 0 HD13 ILE A 21 5.802 0.210 5.875 1.00 42.41 H new ATOM 347 N GLU A 22 11.300 1.147 4.123 1.00 44.32 N ATOM 348 CA GLU A 22 12.598 1.599 4.630 1.00 22.50 C ATOM 349 C GLU A 22 13.362 2.432 3.598 1.00 30.12 C ATOM 350 O GLU A 22 14.044 3.386 3.974 1.00 41.24 O ATOM 351 CB GLU A 22 13.470 0.424 5.124 1.00 71.11 C ATOM 352 CG GLU A 22 14.525 0.943 6.122 1.00 40.52 C ATOM 353 CD GLU A 22 15.447 -0.146 6.673 1.00 30.10 C ATOM 354 OE1 GLU A 22 16.375 -0.557 5.939 1.00 33.33 O ATOM 355 OE2 GLU A 22 15.282 -0.536 7.858 1.00 31.43 O ATOM 0 H GLU A 22 11.206 0.135 4.032 1.00 44.32 H new ATOM 0 HA GLU A 22 12.381 2.240 5.485 1.00 22.50 H new ATOM 0 HB2 GLU A 22 12.844 -0.330 5.601 1.00 71.11 H new ATOM 0 HB3 GLU A 22 13.961 -0.058 4.278 1.00 71.11 H new ATOM 0 HG2 GLU A 22 15.131 1.704 5.631 1.00 40.52 H new ATOM 0 HG3 GLU A 22 14.015 1.429 6.954 1.00 40.52 H new ATOM 362 N ASN A 23 13.248 2.097 2.310 1.00 31.42 N ATOM 363 CA ASN A 23 13.954 2.817 1.254 1.00 42.50 C ATOM 364 C ASN A 23 13.379 4.204 0.993 1.00 34.23 C ATOM 365 O ASN A 23 14.153 5.101 0.655 1.00 13.50 O ATOM 366 CB ASN A 23 14.001 2.009 -0.045 1.00 61.13 C ATOM 367 CG ASN A 23 15.116 0.979 0.004 1.00 34.14 C ATOM 368 OD1 ASN A 23 16.217 1.218 -0.483 1.00 54.12 O ATOM 369 ND2 ASN A 23 14.869 -0.161 0.621 1.00 24.53 N ATOM 0 H ASN A 23 12.669 1.327 1.975 1.00 31.42 H new ATOM 0 HA ASN A 23 14.972 2.953 1.618 1.00 42.50 H new ATOM 0 HB2 ASN A 23 13.045 1.510 -0.204 1.00 61.13 H new ATOM 0 HB3 ASN A 23 14.155 2.679 -0.891 1.00 61.13 H new ATOM 0 HD21 ASN A 23 15.601 -0.867 0.701 1.00 24.53 H new ATOM 0 HD22 ASN A 23 13.946 -0.337 1.018 1.00 24.53 H new ATOM 376 N PHE A 24 12.066 4.404 1.157 1.00 2.44 N ATOM 377 CA PHE A 24 11.422 5.697 0.940 1.00 0.30 C ATOM 378 C PHE A 24 10.775 6.208 2.234 1.00 42.42 C ATOM 379 O PHE A 24 9.549 6.205 2.364 1.00 22.13 O ATOM 380 CB PHE A 24 10.421 5.634 -0.223 1.00 52.21 C ATOM 381 CG PHE A 24 10.991 5.758 -1.620 1.00 70.11 C ATOM 382 CD1 PHE A 24 11.826 6.840 -1.962 1.00 63.54 C ATOM 383 CD2 PHE A 24 10.549 4.885 -2.627 1.00 65.13 C ATOM 384 CE1 PHE A 24 12.160 7.075 -3.302 1.00 50.53 C ATOM 385 CE2 PHE A 24 10.881 5.125 -3.967 1.00 13.12 C ATOM 386 CZ PHE A 24 11.647 6.246 -4.307 1.00 33.35 C ATOM 0 H PHE A 24 11.421 3.668 1.445 1.00 2.44 H new ATOM 0 HA PHE A 24 12.190 6.417 0.655 1.00 0.30 H new ATOM 0 HB2 PHE A 24 9.883 4.688 -0.158 1.00 52.21 H new ATOM 0 HB3 PHE A 24 9.687 6.428 -0.083 1.00 52.21 H new ATOM 0 HD1 PHE A 24 12.209 7.490 -1.189 1.00 63.54 H new ATOM 0 HD2 PHE A 24 9.950 4.024 -2.367 1.00 65.13 H new ATOM 0 HE1 PHE A 24 12.813 7.896 -3.560 1.00 50.53 H new ATOM 0 HE2 PHE A 24 10.546 4.446 -4.737 1.00 13.12 H new ATOM 0 HZ PHE A 24 11.842 6.472 -5.345 1.00 33.35 H new ATOM 396 N PRO A 25 11.561 6.734 3.186 1.00 34.40 N ATOM 397 CA PRO A 25 11.060 7.265 4.445 1.00 2.31 C ATOM 398 C PRO A 25 10.424 8.661 4.281 1.00 43.13 C ATOM 399 O PRO A 25 10.333 9.392 5.272 1.00 40.21 O ATOM 400 CB PRO A 25 12.293 7.281 5.362 1.00 65.53 C ATOM 401 CG PRO A 25 13.434 7.578 4.401 1.00 73.23 C ATOM 402 CD PRO A 25 13.014 6.797 3.162 1.00 42.12 C ATOM 0 HA PRO A 25 10.252 6.660 4.857 1.00 2.31 H new ATOM 0 HB2 PRO A 25 12.209 8.043 6.136 1.00 65.53 H new ATOM 0 HB3 PRO A 25 12.431 6.326 5.869 1.00 65.53 H new ATOM 0 HG2 PRO A 25 13.530 8.645 4.198 1.00 73.23 H new ATOM 0 HG3 PRO A 25 14.394 7.240 4.791 1.00 73.23 H new ATOM 0 HD2 PRO A 25 13.366 7.289 2.255 1.00 42.12 H new ATOM 0 HD3 PRO A 25 13.446 5.796 3.169 1.00 42.12 H new ATOM 410 N ASN A 26 9.968 9.065 3.084 1.00 62.31 N ATOM 411 CA ASN A 26 9.376 10.392 2.886 1.00 5.33 C ATOM 412 C ASN A 26 7.930 10.417 3.377 1.00 34.14 C ATOM 413 O ASN A 26 7.399 11.477 3.716 1.00 65.21 O ATOM 414 CB ASN A 26 9.390 10.813 1.414 1.00 72.02 C ATOM 415 CG ASN A 26 10.804 10.985 0.889 1.00 1.31 C ATOM 416 OD1 ASN A 26 11.333 12.088 0.840 1.00 4.44 O ATOM 417 ND2 ASN A 26 11.449 9.881 0.573 1.00 52.23 N ATOM 0 H ASN A 26 9.999 8.490 2.242 1.00 62.31 H new ATOM 0 HA ASN A 26 9.984 11.091 3.461 1.00 5.33 H new ATOM 0 HB2 ASN A 26 8.869 10.064 0.817 1.00 72.02 H new ATOM 0 HB3 ASN A 26 8.843 11.749 1.299 1.00 72.02 H new ATOM 0 HD21 ASN A 26 12.423 9.927 0.275 1.00 52.23 H new ATOM 0 HD22 ASN A 26 10.974 8.980 0.626 1.00 52.23 H new ATOM 424 N ALA A 27 7.315 9.234 3.472 1.00 11.35 N ATOM 425 CA ALA A 27 5.968 8.967 3.934 1.00 62.52 C ATOM 426 C ALA A 27 5.725 7.463 3.803 1.00 63.25 C ATOM 427 O ALA A 27 5.684 6.966 2.678 1.00 70.52 O ATOM 428 CB ALA A 27 5.021 9.653 2.931 1.00 52.10 C ATOM 0 H ALA A 27 7.794 8.375 3.203 1.00 11.35 H new ATOM 0 HA ALA A 27 5.817 9.310 4.957 1.00 62.52 H new ATOM 0 HB1 ALA A 27 3.987 9.483 3.232 1.00 52.10 H new ATOM 0 HB2 ALA A 27 5.223 10.724 2.914 1.00 52.10 H new ATOM 0 HB3 ALA A 27 5.182 9.238 1.936 1.00 52.10 H new ATOM 434 N PHE A 28 5.467 6.750 4.901 1.00 1.33 N ATOM 435 CA PHE A 28 5.166 5.317 4.924 1.00 1.15 C ATOM 436 C PHE A 28 4.888 4.864 6.365 1.00 20.41 C ATOM 437 O PHE A 28 5.124 5.622 7.309 1.00 4.44 O ATOM 438 CB PHE A 28 6.212 4.459 4.177 1.00 12.45 C ATOM 439 CG PHE A 28 5.830 4.063 2.750 1.00 35.53 C ATOM 440 CD1 PHE A 28 4.532 3.594 2.443 1.00 71.04 C ATOM 441 CD2 PHE A 28 6.775 4.175 1.712 1.00 14.41 C ATOM 442 CE1 PHE A 28 4.172 3.308 1.113 1.00 25.01 C ATOM 443 CE2 PHE A 28 6.418 3.883 0.384 1.00 30.45 C ATOM 444 CZ PHE A 28 5.112 3.461 0.081 1.00 3.02 C ATOM 0 H PHE A 28 5.462 7.169 5.831 1.00 1.33 H new ATOM 0 HA PHE A 28 4.253 5.150 4.352 1.00 1.15 H new ATOM 0 HB2 PHE A 28 7.153 5.008 4.145 1.00 12.45 H new ATOM 0 HB3 PHE A 28 6.392 3.551 4.753 1.00 12.45 H new ATOM 0 HD1 PHE A 28 3.811 3.454 3.235 1.00 71.04 H new ATOM 0 HD2 PHE A 28 7.784 4.488 1.938 1.00 14.41 H new ATOM 0 HE1 PHE A 28 3.172 2.970 0.886 1.00 25.01 H new ATOM 0 HE2 PHE A 28 7.149 3.983 -0.405 1.00 30.45 H new ATOM 0 HZ PHE A 28 4.832 3.255 -0.942 1.00 3.02 H new ATOM 454 N PHE A 29 4.349 3.651 6.555 1.00 50.02 N ATOM 455 CA PHE A 29 4.045 3.103 7.876 1.00 14.41 C ATOM 456 C PHE A 29 3.984 1.577 7.856 1.00 20.21 C ATOM 457 O PHE A 29 3.510 1.005 6.870 1.00 1.35 O ATOM 458 CB PHE A 29 2.656 3.588 8.319 1.00 52.33 C ATOM 459 CG PHE A 29 2.571 5.043 8.716 1.00 0.01 C ATOM 460 CD1 PHE A 29 2.109 6.010 7.809 1.00 54.04 C ATOM 461 CD2 PHE A 29 3.004 5.435 9.990 1.00 61.53 C ATOM 462 CE1 PHE A 29 2.076 7.363 8.177 1.00 1.34 C ATOM 463 CE2 PHE A 29 2.907 6.779 10.387 1.00 51.11 C ATOM 464 CZ PHE A 29 2.448 7.748 9.477 1.00 20.45 C ATOM 0 H PHE A 29 4.112 3.022 5.788 1.00 50.02 H new ATOM 0 HA PHE A 29 4.835 3.434 8.550 1.00 14.41 H new ATOM 0 HB2 PHE A 29 1.952 3.409 7.506 1.00 52.33 H new ATOM 0 HB3 PHE A 29 2.330 2.980 9.163 1.00 52.33 H new ATOM 0 HD1 PHE A 29 1.778 5.711 6.825 1.00 54.04 H new ATOM 0 HD2 PHE A 29 3.414 4.701 10.669 1.00 61.53 H new ATOM 0 HE1 PHE A 29 1.765 8.110 7.461 1.00 1.34 H new ATOM 0 HE2 PHE A 29 3.185 7.068 11.390 1.00 51.11 H new ATOM 0 HZ PHE A 29 2.382 8.784 9.776 1.00 20.45 H new ATOM 474 N LYS A 30 4.372 0.928 8.966 1.00 32.22 N ATOM 475 CA LYS A 30 4.323 -0.541 9.121 1.00 4.44 C ATOM 476 C LYS A 30 3.283 -0.969 10.161 1.00 0.44 C ATOM 477 O LYS A 30 2.779 -2.085 10.095 1.00 24.21 O ATOM 478 CB LYS A 30 5.667 -1.137 9.572 1.00 34.51 C ATOM 479 CG LYS A 30 6.810 -0.998 8.566 1.00 4.51 C ATOM 480 CD LYS A 30 7.840 0.049 9.000 1.00 20.35 C ATOM 481 CE LYS A 30 9.047 -0.581 9.699 1.00 1.33 C ATOM 482 NZ LYS A 30 8.835 -0.815 11.135 1.00 24.22 N ATOM 0 H LYS A 30 4.732 1.409 9.790 1.00 32.22 H new ATOM 0 HA LYS A 30 4.062 -0.914 8.131 1.00 4.44 H new ATOM 0 HB2 LYS A 30 5.964 -0.657 10.505 1.00 34.51 H new ATOM 0 HB3 LYS A 30 5.522 -2.195 9.790 1.00 34.51 H new ATOM 0 HG2 LYS A 30 7.304 -1.962 8.445 1.00 4.51 H new ATOM 0 HG3 LYS A 30 6.403 -0.723 7.593 1.00 4.51 H new ATOM 0 HD2 LYS A 30 8.178 0.607 8.127 1.00 20.35 H new ATOM 0 HD3 LYS A 30 7.367 0.765 9.672 1.00 20.35 H new ATOM 0 HE2 LYS A 30 9.284 -1.529 9.215 1.00 1.33 H new ATOM 0 HE3 LYS A 30 9.913 0.068 9.568 1.00 1.33 H new ATOM 0 HZ1 LYS A 30 9.689 -1.242 11.547 1.00 24.22 H new ATOM 0 HZ2 LYS A 30 8.638 0.090 11.609 1.00 24.22 H new ATOM 0 HZ3 LYS A 30 8.028 -1.458 11.267 1.00 24.22 H new ATOM 496 N LYS A 31 2.940 -0.086 11.102 1.00 22.13 N ATOM 497 CA LYS A 31 1.993 -0.326 12.196 1.00 5.12 C ATOM 498 C LYS A 31 0.523 -0.515 11.782 1.00 34.54 C ATOM 499 O LYS A 31 -0.325 -0.596 12.669 1.00 73.41 O ATOM 500 CB LYS A 31 2.129 0.806 13.229 1.00 15.01 C ATOM 501 CG LYS A 31 3.417 0.861 14.064 1.00 44.42 C ATOM 502 CD LYS A 31 4.664 1.300 13.281 1.00 22.42 C ATOM 503 CE LYS A 31 5.632 2.048 14.203 1.00 53.23 C ATOM 504 NZ LYS A 31 6.905 2.367 13.534 1.00 30.30 N ATOM 0 H LYS A 31 3.331 0.856 11.124 1.00 22.13 H new ATOM 0 HA LYS A 31 2.268 -1.291 12.623 1.00 5.12 H new ATOM 0 HB2 LYS A 31 2.031 1.755 12.701 1.00 15.01 H new ATOM 0 HB3 LYS A 31 1.286 0.735 13.917 1.00 15.01 H new ATOM 0 HG2 LYS A 31 3.266 1.547 14.897 1.00 44.42 H new ATOM 0 HG3 LYS A 31 3.600 -0.125 14.492 1.00 44.42 H new ATOM 0 HD2 LYS A 31 5.159 0.428 12.853 1.00 22.42 H new ATOM 0 HD3 LYS A 31 4.373 1.942 12.450 1.00 22.42 H new ATOM 0 HE2 LYS A 31 5.164 2.970 14.547 1.00 53.23 H new ATOM 0 HE3 LYS A 31 5.830 1.442 15.087 1.00 53.23 H new ATOM 0 HZ1 LYS A 31 7.528 2.873 14.196 1.00 30.30 H new ATOM 0 HZ2 LYS A 31 7.367 1.487 13.228 1.00 30.30 H new ATOM 0 HZ3 LYS A 31 6.721 2.967 12.705 1.00 30.30 H new ATOM 518 N GLY A 32 0.147 -0.484 10.504 1.00 52.12 N ATOM 519 CA GLY A 32 -1.229 -0.679 10.040 1.00 32.31 C ATOM 520 C GLY A 32 -2.220 0.433 10.401 1.00 5.34 C ATOM 521 O GLY A 32 -2.605 1.214 9.558 1.00 31.32 O ATOM 0 H GLY A 32 0.806 -0.319 9.743 1.00 52.12 H new ATOM 0 HA2 GLY A 32 -1.214 -0.788 8.956 1.00 32.31 H new ATOM 0 HA3 GLY A 32 -1.601 -1.618 10.450 1.00 32.31 H new ATOM 525 N ASN A 33 -2.609 0.539 11.666 1.00 71.14 N ATOM 526 CA ASN A 33 -3.561 1.476 12.282 1.00 71.11 C ATOM 527 C ASN A 33 -3.249 2.962 12.121 1.00 74.14 C ATOM 528 O ASN A 33 -4.069 3.806 12.484 1.00 72.43 O ATOM 529 CB ASN A 33 -3.709 1.159 13.777 1.00 13.43 C ATOM 530 CG ASN A 33 -2.615 1.768 14.640 1.00 22.50 C ATOM 531 OD1 ASN A 33 -2.886 2.367 15.675 1.00 51.41 O ATOM 532 ND2 ASN A 33 -1.360 1.589 14.264 1.00 13.30 N ATOM 0 H ASN A 33 -2.227 -0.096 12.367 1.00 71.14 H new ATOM 0 HA ASN A 33 -4.488 1.317 11.730 1.00 71.11 H new ATOM 0 HB2 ASN A 33 -4.677 1.522 14.123 1.00 13.43 H new ATOM 0 HB3 ASN A 33 -3.707 0.077 13.912 1.00 13.43 H new ATOM 0 HD21 ASN A 33 -0.599 1.952 14.838 1.00 13.30 H new ATOM 0 HD22 ASN A 33 -1.153 1.088 13.400 1.00 13.30 H new ATOM 539 N GLN A 34 -2.036 3.284 11.685 1.00 63.54 N ATOM 540 CA GLN A 34 -1.577 4.642 11.449 1.00 50.20 C ATOM 541 C GLN A 34 -1.287 4.859 9.965 1.00 4.23 C ATOM 542 O GLN A 34 -0.824 5.951 9.621 1.00 23.31 O ATOM 543 CB GLN A 34 -0.416 5.033 12.381 1.00 24.44 C ATOM 544 CG GLN A 34 0.697 3.984 12.468 1.00 52.22 C ATOM 545 CD GLN A 34 1.880 4.419 13.332 1.00 45.24 C ATOM 546 OE1 GLN A 34 3.032 4.265 12.941 1.00 30.32 O ATOM 547 NE2 GLN A 34 1.664 4.958 14.518 1.00 62.15 N ATOM 0 H GLN A 34 -1.325 2.582 11.480 1.00 63.54 H new ATOM 0 HA GLN A 34 -2.380 5.331 11.709 1.00 50.20 H new ATOM 0 HB2 GLN A 34 0.012 5.974 12.035 1.00 24.44 H new ATOM 0 HB3 GLN A 34 -0.811 5.211 13.381 1.00 24.44 H new ATOM 0 HG2 GLN A 34 0.283 3.060 12.872 1.00 52.22 H new ATOM 0 HG3 GLN A 34 1.054 3.761 11.463 1.00 52.22 H new ATOM 0 HE21 GLN A 34 0.709 5.090 14.852 1.00 62.15 H new ATOM 0 HE22 GLN A 34 2.452 5.242 15.100 1.00 62.15 H new ATOM 556 N VAL A 35 -1.507 3.859 9.097 1.00 1.44 N ATOM 557 CA VAL A 35 -1.233 4.081 7.657 1.00 1.44 C ATOM 558 C VAL A 35 -1.966 5.316 7.104 1.00 54.25 C ATOM 559 O VAL A 35 -3.116 5.588 7.463 1.00 13.13 O ATOM 560 CB VAL A 35 -1.530 2.865 6.751 1.00 62.13 C ATOM 561 CG1 VAL A 35 -0.605 1.685 7.069 1.00 70.35 C ATOM 562 CG2 VAL A 35 -3.012 2.457 6.690 1.00 24.33 C ATOM 0 H VAL A 35 -1.856 2.932 9.342 1.00 1.44 H new ATOM 0 HA VAL A 35 -0.157 4.250 7.625 1.00 1.44 H new ATOM 0 HB VAL A 35 -1.305 3.198 5.738 1.00 62.13 H new ATOM 0 HG11 VAL A 35 -0.843 0.848 6.412 1.00 70.35 H new ATOM 0 HG12 VAL A 35 0.432 1.984 6.915 1.00 70.35 H new ATOM 0 HG13 VAL A 35 -0.745 1.383 8.107 1.00 70.35 H new ATOM 0 HG21 VAL A 35 -3.126 1.596 6.031 1.00 24.33 H new ATOM 0 HG22 VAL A 35 -3.359 2.197 7.690 1.00 24.33 H new ATOM 0 HG23 VAL A 35 -3.603 3.288 6.305 1.00 24.33 H new ATOM 572 N LYS A 36 -1.311 6.075 6.220 1.00 62.30 N ATOM 573 CA LYS A 36 -1.864 7.269 5.570 1.00 15.24 C ATOM 574 C LYS A 36 -2.025 6.947 4.077 1.00 40.11 C ATOM 575 O LYS A 36 -1.353 6.021 3.590 1.00 34.54 O ATOM 576 CB LYS A 36 -0.976 8.497 5.856 1.00 71.34 C ATOM 577 CG LYS A 36 -1.074 8.914 7.335 1.00 34.45 C ATOM 578 CD LYS A 36 -0.173 10.105 7.686 1.00 11.02 C ATOM 579 CE LYS A 36 -0.812 11.466 7.389 1.00 61.05 C ATOM 580 NZ LYS A 36 0.198 12.547 7.392 1.00 62.12 N ATOM 0 H LYS A 36 -0.355 5.871 5.928 1.00 62.30 H new ATOM 0 HA LYS A 36 -2.844 7.531 5.968 1.00 15.24 H new ATOM 0 HB2 LYS A 36 0.060 8.268 5.607 1.00 71.34 H new ATOM 0 HB3 LYS A 36 -1.281 9.327 5.219 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -2.108 9.168 7.567 1.00 34.45 H new ATOM 0 HG3 LYS A 36 -0.806 8.065 7.964 1.00 34.45 H new ATOM 0 HD2 LYS A 36 0.083 10.057 8.744 1.00 11.02 H new ATOM 0 HD3 LYS A 36 0.760 10.021 7.128 1.00 11.02 H new ATOM 0 HE2 LYS A 36 -1.309 11.433 6.420 1.00 61.05 H new ATOM 0 HE3 LYS A 36 -1.579 11.680 8.133 1.00 61.05 H new ATOM 0 HZ1 LYS A 36 -0.265 13.455 7.188 1.00 62.12 H new ATOM 0 HZ2 LYS A 36 0.654 12.593 8.325 1.00 62.12 H new ATOM 0 HZ3 LYS A 36 0.916 12.353 6.665 1.00 62.12 H new ATOM 594 N PRO A 37 -2.863 7.667 3.318 1.00 10.22 N ATOM 595 CA PRO A 37 -3.054 7.381 1.908 1.00 10.14 C ATOM 596 C PRO A 37 -1.917 7.951 1.058 1.00 53.44 C ATOM 597 O PRO A 37 -1.441 9.066 1.274 1.00 74.54 O ATOM 598 CB PRO A 37 -4.421 7.976 1.586 1.00 41.35 C ATOM 599 CG PRO A 37 -4.469 9.215 2.478 1.00 50.21 C ATOM 600 CD PRO A 37 -3.720 8.770 3.735 1.00 71.52 C ATOM 0 HA PRO A 37 -3.030 6.315 1.681 1.00 10.14 H new ATOM 0 HB2 PRO A 37 -4.512 8.234 0.531 1.00 41.35 H new ATOM 0 HB3 PRO A 37 -5.229 7.281 1.815 1.00 41.35 H new ATOM 0 HG2 PRO A 37 -3.988 10.071 2.005 1.00 50.21 H new ATOM 0 HG3 PRO A 37 -5.494 9.510 2.703 1.00 50.21 H new ATOM 0 HD2 PRO A 37 -3.131 9.588 4.149 1.00 71.52 H new ATOM 0 HD3 PRO A 37 -4.415 8.453 4.512 1.00 71.52 H new ATOM 608 N LEU A 38 -1.451 7.160 0.094 1.00 33.14 N ATOM 609 CA LEU A 38 -0.379 7.537 -0.820 1.00 12.43 C ATOM 610 C LEU A 38 -0.986 7.985 -2.151 1.00 1.10 C ATOM 611 O LEU A 38 -2.163 7.730 -2.430 1.00 61.43 O ATOM 612 CB LEU A 38 0.581 6.358 -1.063 1.00 23.04 C ATOM 613 CG LEU A 38 1.595 5.985 0.042 1.00 75.43 C ATOM 614 CD1 LEU A 38 2.354 7.184 0.615 1.00 42.51 C ATOM 615 CD2 LEU A 38 0.959 5.192 1.179 1.00 1.24 C ATOM 0 H LEU A 38 -1.815 6.223 -0.076 1.00 33.14 H new ATOM 0 HA LEU A 38 0.188 8.353 -0.373 1.00 12.43 H new ATOM 0 HB2 LEU A 38 -0.025 5.475 -1.267 1.00 23.04 H new ATOM 0 HB3 LEU A 38 1.146 6.573 -1.970 1.00 23.04 H new ATOM 0 HG LEU A 38 2.320 5.350 -0.467 1.00 75.43 H new ATOM 0 HD11 LEU A 38 3.046 6.842 1.384 1.00 42.51 H new ATOM 0 HD12 LEU A 38 2.911 7.676 -0.182 1.00 42.51 H new ATOM 0 HD13 LEU A 38 1.646 7.888 1.051 1.00 42.51 H new ATOM 0 HD21 LEU A 38 1.716 4.957 1.927 1.00 1.24 H new ATOM 0 HD22 LEU A 38 0.168 5.785 1.638 1.00 1.24 H new ATOM 0 HD23 LEU A 38 0.538 4.267 0.786 1.00 1.24 H new ATOM 627 N LYS A 39 -0.175 8.631 -2.991 1.00 72.33 N ATOM 628 CA LYS A 39 -0.564 9.121 -4.305 1.00 53.00 C ATOM 629 C LYS A 39 -1.081 7.965 -5.157 1.00 62.05 C ATOM 630 O LYS A 39 -0.715 6.801 -4.977 1.00 61.04 O ATOM 631 CB LYS A 39 0.640 9.822 -4.974 1.00 60.30 C ATOM 632 CG LYS A 39 0.322 10.449 -6.353 1.00 22.43 C ATOM 633 CD LYS A 39 1.128 9.875 -7.528 1.00 25.31 C ATOM 634 CE LYS A 39 2.344 10.776 -7.725 1.00 23.34 C ATOM 635 NZ LYS A 39 3.152 10.451 -8.916 1.00 75.42 N ATOM 0 H LYS A 39 0.799 8.831 -2.764 1.00 72.33 H new ATOM 0 HA LYS A 39 -1.369 9.849 -4.205 1.00 53.00 H new ATOM 0 HB2 LYS A 39 1.008 10.603 -4.308 1.00 60.30 H new ATOM 0 HB3 LYS A 39 1.447 9.099 -5.093 1.00 60.30 H new ATOM 0 HG2 LYS A 39 -0.740 10.315 -6.560 1.00 22.43 H new ATOM 0 HG3 LYS A 39 0.503 11.522 -6.298 1.00 22.43 H new ATOM 0 HD2 LYS A 39 1.438 8.851 -7.318 1.00 25.31 H new ATOM 0 HD3 LYS A 39 0.521 9.845 -8.433 1.00 25.31 H new ATOM 0 HE2 LYS A 39 2.007 11.810 -7.799 1.00 23.34 H new ATOM 0 HE3 LYS A 39 2.978 10.710 -6.841 1.00 23.34 H new ATOM 0 HZ1 LYS A 39 4.100 10.866 -8.816 1.00 75.42 H new ATOM 0 HZ2 LYS A 39 3.234 9.418 -9.009 1.00 75.42 H new ATOM 0 HZ3 LYS A 39 2.692 10.839 -9.764 1.00 75.42 H new ATOM 649 N ILE A 40 -1.985 8.306 -6.065 1.00 35.31 N ATOM 650 CA ILE A 40 -2.588 7.392 -7.000 1.00 62.10 C ATOM 651 C ILE A 40 -1.460 6.719 -7.784 1.00 33.24 C ATOM 652 O ILE A 40 -0.521 7.354 -8.257 1.00 44.40 O ATOM 653 CB ILE A 40 -3.553 8.162 -7.929 1.00 14.12 C ATOM 654 CG1 ILE A 40 -4.078 7.272 -9.081 1.00 1.52 C ATOM 655 CG2 ILE A 40 -2.872 9.439 -8.462 1.00 52.42 C ATOM 656 CD1 ILE A 40 -4.931 6.101 -8.578 1.00 55.05 C ATOM 0 H ILE A 40 -2.324 9.262 -6.167 1.00 35.31 H new ATOM 0 HA ILE A 40 -3.174 6.628 -6.488 1.00 62.10 H new ATOM 0 HB ILE A 40 -4.424 8.456 -7.343 1.00 14.12 H new ATOM 0 HG12 ILE A 40 -4.670 7.881 -9.765 1.00 1.52 H new ATOM 0 HG13 ILE A 40 -3.233 6.884 -9.650 1.00 1.52 H new ATOM 0 HG21 ILE A 40 -3.562 9.973 -9.116 1.00 52.42 H new ATOM 0 HG22 ILE A 40 -2.595 10.080 -7.625 1.00 52.42 H new ATOM 0 HG23 ILE A 40 -1.978 9.167 -9.023 1.00 52.42 H new ATOM 0 HD11 ILE A 40 -5.273 5.509 -9.427 1.00 55.05 H new ATOM 0 HD12 ILE A 40 -4.334 5.474 -7.916 1.00 55.05 H new ATOM 0 HD13 ILE A 40 -5.793 6.486 -8.033 1.00 55.05 H new ATOM 668 N GLY A 41 -1.557 5.410 -7.914 1.00 64.43 N ATOM 669 CA GLY A 41 -0.591 4.618 -8.645 1.00 70.35 C ATOM 670 C GLY A 41 0.865 4.787 -8.210 1.00 70.01 C ATOM 671 O GLY A 41 1.739 4.537 -9.039 1.00 64.14 O ATOM 0 H GLY A 41 -2.317 4.862 -7.510 1.00 64.43 H new ATOM 0 HA2 GLY A 41 -0.861 3.567 -8.547 1.00 70.35 H new ATOM 0 HA3 GLY A 41 -0.667 4.870 -9.703 1.00 70.35 H new ATOM 675 N ILE A 42 1.146 5.129 -6.948 1.00 60.40 N ATOM 676 CA ILE A 42 2.484 5.332 -6.388 1.00 21.13 C ATOM 677 C ILE A 42 3.427 4.160 -6.671 1.00 14.04 C ATOM 678 O ILE A 42 4.636 4.343 -6.685 1.00 41.21 O ATOM 679 CB ILE A 42 2.390 5.650 -4.875 1.00 74.33 C ATOM 680 CG1 ILE A 42 3.774 5.957 -4.271 1.00 23.44 C ATOM 681 CG2 ILE A 42 1.693 4.520 -4.092 1.00 33.52 C ATOM 682 CD1 ILE A 42 3.701 6.767 -2.972 1.00 72.12 C ATOM 0 H ILE A 42 0.410 5.279 -6.257 1.00 60.40 H new ATOM 0 HA ILE A 42 2.925 6.192 -6.892 1.00 21.13 H new ATOM 0 HB ILE A 42 1.776 6.546 -4.782 1.00 74.33 H new ATOM 0 HG12 ILE A 42 4.295 5.019 -4.078 1.00 23.44 H new ATOM 0 HG13 ILE A 42 4.368 6.507 -5.001 1.00 23.44 H new ATOM 0 HG21 ILE A 42 1.648 4.784 -3.035 1.00 33.52 H new ATOM 0 HG22 ILE A 42 0.682 4.382 -4.475 1.00 33.52 H new ATOM 0 HG23 ILE A 42 2.256 3.594 -4.211 1.00 33.52 H new ATOM 0 HD11 ILE A 42 4.709 6.949 -2.599 1.00 72.12 H new ATOM 0 HD12 ILE A 42 3.208 7.720 -3.165 1.00 72.12 H new ATOM 0 HD13 ILE A 42 3.134 6.209 -2.227 1.00 72.12 H new ATOM 694 N PHE A 43 2.905 2.945 -6.873 1.00 73.00 N ATOM 695 CA PHE A 43 3.734 1.794 -7.162 1.00 60.24 C ATOM 696 C PHE A 43 4.533 2.031 -8.440 1.00 12.14 C ATOM 697 O PHE A 43 5.654 1.561 -8.532 1.00 51.12 O ATOM 698 CB PHE A 43 2.842 0.558 -7.279 1.00 52.53 C ATOM 699 CG PHE A 43 3.346 -0.498 -8.244 1.00 11.52 C ATOM 700 CD1 PHE A 43 2.766 -0.614 -9.518 1.00 62.13 C ATOM 701 CD2 PHE A 43 4.452 -1.291 -7.907 1.00 22.32 C ATOM 702 CE1 PHE A 43 3.283 -1.530 -10.452 1.00 43.33 C ATOM 703 CE2 PHE A 43 4.978 -2.208 -8.837 1.00 53.24 C ATOM 704 CZ PHE A 43 4.387 -2.330 -10.108 1.00 24.51 C ATOM 0 H PHE A 43 1.906 2.744 -6.839 1.00 73.00 H new ATOM 0 HA PHE A 43 4.449 1.634 -6.355 1.00 60.24 H new ATOM 0 HB2 PHE A 43 2.737 0.108 -6.292 1.00 52.53 H new ATOM 0 HB3 PHE A 43 1.847 0.873 -7.594 1.00 52.53 H new ATOM 0 HD1 PHE A 43 1.919 0.003 -9.782 1.00 62.13 H new ATOM 0 HD2 PHE A 43 4.902 -1.198 -6.930 1.00 22.32 H new ATOM 0 HE1 PHE A 43 2.834 -1.619 -11.430 1.00 43.33 H new ATOM 0 HE2 PHE A 43 5.832 -2.815 -8.576 1.00 53.24 H new ATOM 0 HZ PHE A 43 4.782 -3.039 -10.820 1.00 24.51 H new ATOM 714 N ASP A 44 3.959 2.728 -9.420 1.00 2.44 N ATOM 715 CA ASP A 44 4.654 2.995 -10.682 1.00 2.32 C ATOM 716 C ASP A 44 5.803 3.979 -10.477 1.00 40.42 C ATOM 717 O ASP A 44 6.740 3.994 -11.274 1.00 0.12 O ATOM 718 CB ASP A 44 3.725 3.500 -11.786 1.00 73.42 C ATOM 719 CG ASP A 44 3.047 2.359 -12.537 1.00 34.04 C ATOM 720 OD1 ASP A 44 1.794 2.306 -12.519 1.00 61.42 O ATOM 721 OD2 ASP A 44 3.741 1.549 -13.190 1.00 13.32 O ATOM 0 H ASP A 44 3.018 3.117 -9.366 1.00 2.44 H new ATOM 0 HA ASP A 44 5.053 2.036 -11.013 1.00 2.32 H new ATOM 0 HB2 ASP A 44 2.965 4.148 -11.350 1.00 73.42 H new ATOM 0 HB3 ASP A 44 4.296 4.107 -12.489 1.00 73.42 H new ATOM 726 N ASP A 45 5.703 4.865 -9.489 1.00 15.22 N ATOM 727 CA ASP A 45 6.741 5.839 -9.175 1.00 3.12 C ATOM 728 C ASP A 45 7.855 5.109 -8.421 1.00 42.15 C ATOM 729 O ASP A 45 9.040 5.229 -8.713 1.00 33.33 O ATOM 730 CB ASP A 45 6.185 6.926 -8.252 1.00 12.21 C ATOM 731 CG ASP A 45 5.170 7.855 -8.892 1.00 13.23 C ATOM 732 OD1 ASP A 45 3.960 7.702 -8.617 1.00 54.24 O ATOM 733 OD2 ASP A 45 5.540 8.878 -9.505 1.00 31.33 O ATOM 0 H ASP A 45 4.889 4.926 -8.878 1.00 15.22 H new ATOM 0 HA ASP A 45 7.105 6.294 -10.096 1.00 3.12 H new ATOM 0 HB2 ASP A 45 5.723 6.447 -7.389 1.00 12.21 H new ATOM 0 HB3 ASP A 45 7.016 7.523 -7.878 1.00 12.21 H new ATOM 738 N LEU A 46 7.446 4.320 -7.429 1.00 60.21 N ATOM 739 CA LEU A 46 8.280 3.529 -6.543 1.00 44.12 C ATOM 740 C LEU A 46 9.048 2.432 -7.265 1.00 20.22 C ATOM 741 O LEU A 46 10.208 2.190 -6.941 1.00 70.12 O ATOM 742 CB LEU A 46 7.364 2.938 -5.460 1.00 41.20 C ATOM 743 CG LEU A 46 7.848 1.639 -4.791 1.00 52.41 C ATOM 744 CD1 LEU A 46 9.082 1.813 -3.911 1.00 44.33 C ATOM 745 CD2 LEU A 46 6.708 1.082 -3.946 1.00 43.51 C ATOM 0 H LEU A 46 6.455 4.213 -7.213 1.00 60.21 H new ATOM 0 HA LEU A 46 9.044 4.172 -6.107 1.00 44.12 H new ATOM 0 HB2 LEU A 46 7.223 3.690 -4.684 1.00 41.20 H new ATOM 0 HB3 LEU A 46 6.386 2.750 -5.904 1.00 41.20 H new ATOM 0 HG LEU A 46 8.139 0.958 -5.591 1.00 52.41 H new ATOM 0 HD11 LEU A 46 9.358 0.852 -3.477 1.00 44.33 H new ATOM 0 HD12 LEU A 46 9.908 2.190 -4.514 1.00 44.33 H new ATOM 0 HD13 LEU A 46 8.862 2.522 -3.113 1.00 44.33 H new ATOM 0 HD21 LEU A 46 7.030 0.160 -3.462 1.00 43.51 H new ATOM 0 HD22 LEU A 46 6.428 1.812 -3.186 1.00 43.51 H new ATOM 0 HD23 LEU A 46 5.849 0.876 -4.584 1.00 43.51 H new ATOM 757 N ILE A 47 8.415 1.741 -8.212 1.00 11.14 N ATOM 758 CA ILE A 47 9.076 0.659 -8.932 1.00 43.42 C ATOM 759 C ILE A 47 10.324 1.197 -9.625 1.00 1.41 C ATOM 760 O ILE A 47 11.320 0.490 -9.730 1.00 71.51 O ATOM 761 CB ILE A 47 8.103 -0.069 -9.887 1.00 54.52 C ATOM 762 CG1 ILE A 47 8.582 -1.496 -10.212 1.00 44.54 C ATOM 763 CG2 ILE A 47 7.792 0.746 -11.155 1.00 72.13 C ATOM 764 CD1 ILE A 47 9.525 -1.613 -11.409 1.00 43.44 C ATOM 0 H ILE A 47 7.450 1.912 -8.496 1.00 11.14 H new ATOM 0 HA ILE A 47 9.400 -0.104 -8.224 1.00 43.42 H new ATOM 0 HB ILE A 47 7.157 -0.164 -9.353 1.00 54.52 H new ATOM 0 HG12 ILE A 47 9.085 -1.901 -9.334 1.00 44.54 H new ATOM 0 HG13 ILE A 47 7.708 -2.121 -10.396 1.00 44.54 H new ATOM 0 HG21 ILE A 47 7.104 0.186 -11.788 1.00 72.13 H new ATOM 0 HG22 ILE A 47 7.336 1.695 -10.875 1.00 72.13 H new ATOM 0 HG23 ILE A 47 8.716 0.935 -11.702 1.00 72.13 H new ATOM 0 HD11 ILE A 47 9.803 -2.657 -11.553 1.00 43.44 H new ATOM 0 HD12 ILE A 47 9.024 -1.244 -12.304 1.00 43.44 H new ATOM 0 HD13 ILE A 47 10.422 -1.021 -11.225 1.00 43.44 H new ATOM 776 N ASP A 48 10.292 2.463 -10.048 1.00 42.52 N ATOM 777 CA ASP A 48 11.407 3.100 -10.726 1.00 10.21 C ATOM 778 C ASP A 48 12.649 3.045 -9.825 1.00 43.24 C ATOM 779 O ASP A 48 13.772 2.939 -10.299 1.00 63.44 O ATOM 780 CB ASP A 48 11.024 4.540 -11.085 1.00 50.22 C ATOM 781 CG ASP A 48 11.634 4.986 -12.408 1.00 30.13 C ATOM 782 OD1 ASP A 48 12.876 5.105 -12.510 1.00 72.55 O ATOM 783 OD2 ASP A 48 10.867 5.252 -13.356 1.00 54.43 O ATOM 0 H ASP A 48 9.484 3.073 -9.926 1.00 42.52 H new ATOM 0 HA ASP A 48 11.643 2.575 -11.652 1.00 10.21 H new ATOM 0 HB2 ASP A 48 9.939 4.622 -11.142 1.00 50.22 H new ATOM 0 HB3 ASP A 48 11.353 5.210 -10.291 1.00 50.22 H new ATOM 788 N PHE A 49 12.454 3.121 -8.503 1.00 14.54 N ATOM 789 CA PHE A 49 13.525 3.044 -7.511 1.00 53.13 C ATOM 790 C PHE A 49 13.994 1.594 -7.347 1.00 70.33 C ATOM 791 O PHE A 49 15.165 1.349 -7.073 1.00 21.40 O ATOM 792 CB PHE A 49 13.076 3.611 -6.163 1.00 23.23 C ATOM 793 CG PHE A 49 14.230 4.195 -5.371 1.00 21.01 C ATOM 794 CD1 PHE A 49 14.476 5.581 -5.411 1.00 1.11 C ATOM 795 CD2 PHE A 49 15.087 3.359 -4.629 1.00 62.33 C ATOM 796 CE1 PHE A 49 15.538 6.134 -4.681 1.00 13.41 C ATOM 797 CE2 PHE A 49 16.163 3.909 -3.915 1.00 1.43 C ATOM 798 CZ PHE A 49 16.379 5.298 -3.934 1.00 2.53 C ATOM 0 H PHE A 49 11.530 3.240 -8.089 1.00 14.54 H new ATOM 0 HA PHE A 49 14.358 3.649 -7.869 1.00 53.13 H new ATOM 0 HB2 PHE A 49 12.324 4.383 -6.328 1.00 23.23 H new ATOM 0 HB3 PHE A 49 12.600 2.822 -5.580 1.00 23.23 H new ATOM 0 HD1 PHE A 49 13.843 6.222 -6.007 1.00 1.11 H new ATOM 0 HD2 PHE A 49 14.916 2.293 -4.609 1.00 62.33 H new ATOM 0 HE1 PHE A 49 15.707 7.201 -4.694 1.00 13.41 H new ATOM 0 HE2 PHE A 49 16.824 3.266 -3.352 1.00 1.43 H new ATOM 0 HZ PHE A 49 17.197 5.723 -3.370 1.00 2.53 H new ATOM 808 N TYR A 50 13.093 0.612 -7.453 1.00 53.21 N ATOM 809 CA TYR A 50 13.420 -0.815 -7.358 1.00 12.23 C ATOM 810 C TYR A 50 14.401 -1.160 -8.481 1.00 33.42 C ATOM 811 O TYR A 50 15.213 -2.059 -8.318 1.00 71.51 O ATOM 812 CB TYR A 50 12.148 -1.674 -7.371 1.00 35.12 C ATOM 813 CG TYR A 50 12.244 -3.031 -8.048 1.00 22.44 C ATOM 814 CD1 TYR A 50 12.414 -4.203 -7.287 1.00 12.04 C ATOM 815 CD2 TYR A 50 12.082 -3.127 -9.444 1.00 63.02 C ATOM 816 CE1 TYR A 50 12.301 -5.460 -7.903 1.00 3.10 C ATOM 817 CE2 TYR A 50 12.036 -4.385 -10.073 1.00 21.01 C ATOM 818 CZ TYR A 50 12.110 -5.562 -9.298 1.00 64.43 C ATOM 819 OH TYR A 50 11.964 -6.783 -9.881 1.00 53.14 O ATOM 0 H TYR A 50 12.101 0.789 -7.610 1.00 53.21 H new ATOM 0 HA TYR A 50 13.904 -1.036 -6.407 1.00 12.23 H new ATOM 0 HB2 TYR A 50 11.833 -1.831 -6.339 1.00 35.12 H new ATOM 0 HB3 TYR A 50 11.359 -1.105 -7.862 1.00 35.12 H new ATOM 0 HD1 TYR A 50 12.631 -4.136 -6.231 1.00 12.04 H new ATOM 0 HD2 TYR A 50 11.992 -2.228 -10.036 1.00 63.02 H new ATOM 0 HE1 TYR A 50 12.361 -6.357 -7.304 1.00 3.10 H new ATOM 0 HE2 TYR A 50 11.944 -4.450 -11.147 1.00 21.01 H new ATOM 0 HH TYR A 50 11.825 -7.462 -9.188 1.00 53.14 H new ATOM 829 N GLU A 51 14.340 -0.467 -9.616 1.00 73.12 N ATOM 830 CA GLU A 51 15.250 -0.701 -10.727 1.00 73.40 C ATOM 831 C GLU A 51 16.682 -0.230 -10.400 1.00 0.12 C ATOM 832 O GLU A 51 17.603 -0.477 -11.182 1.00 55.45 O ATOM 833 CB GLU A 51 14.700 -0.014 -11.976 1.00 14.11 C ATOM 834 CG GLU A 51 13.355 -0.606 -12.421 1.00 54.14 C ATOM 835 CD GLU A 51 13.139 -0.397 -13.914 1.00 22.33 C ATOM 836 OE1 GLU A 51 12.835 0.744 -14.338 1.00 43.32 O ATOM 837 OE2 GLU A 51 13.327 -1.373 -14.683 1.00 45.11 O ATOM 0 H GLU A 51 13.658 0.271 -9.788 1.00 73.12 H new ATOM 0 HA GLU A 51 15.317 -1.773 -10.912 1.00 73.40 H new ATOM 0 HB2 GLU A 51 14.578 1.051 -11.779 1.00 14.11 H new ATOM 0 HB3 GLU A 51 15.422 -0.107 -12.787 1.00 14.11 H new ATOM 0 HG2 GLU A 51 13.327 -1.671 -12.191 1.00 54.14 H new ATOM 0 HG3 GLU A 51 12.544 -0.138 -11.863 1.00 54.14 H new ATOM 844 N ARG A 52 16.911 0.487 -9.287 1.00 62.54 N ATOM 845 CA ARG A 52 18.262 0.928 -8.923 1.00 72.21 C ATOM 846 C ARG A 52 19.051 -0.256 -8.375 1.00 63.41 C ATOM 847 O ARG A 52 20.272 -0.270 -8.511 1.00 24.22 O ATOM 848 CB ARG A 52 18.233 2.042 -7.863 1.00 4.50 C ATOM 849 CG ARG A 52 17.475 3.307 -8.289 1.00 62.42 C ATOM 850 CD ARG A 52 18.165 4.095 -9.410 1.00 15.21 C ATOM 851 NE ARG A 52 17.201 5.022 -10.019 1.00 12.34 N ATOM 852 CZ ARG A 52 16.354 4.719 -11.010 1.00 45.02 C ATOM 853 NH1 ARG A 52 16.539 3.648 -11.776 1.00 34.21 N ATOM 854 NH2 ARG A 52 15.297 5.490 -11.214 1.00 62.44 N ATOM 0 H ARG A 52 16.183 0.770 -8.631 1.00 62.54 H new ATOM 0 HA ARG A 52 18.736 1.324 -9.821 1.00 72.21 H new ATOM 0 HB2 ARG A 52 17.777 1.649 -6.954 1.00 4.50 H new ATOM 0 HB3 ARG A 52 19.258 2.315 -7.613 1.00 4.50 H new ATOM 0 HG2 ARG A 52 16.474 3.026 -8.618 1.00 62.42 H new ATOM 0 HG3 ARG A 52 17.355 3.957 -7.422 1.00 62.42 H new ATOM 0 HD2 ARG A 52 19.016 4.648 -9.011 1.00 15.21 H new ATOM 0 HD3 ARG A 52 18.555 3.411 -10.164 1.00 15.21 H new ATOM 0 HE ARG A 52 17.175 5.975 -9.657 1.00 12.34 H new ATOM 0 HH11 ARG A 52 17.340 3.037 -11.614 1.00 34.21 H new ATOM 0 HH12 ARG A 52 15.880 3.437 -12.525 1.00 34.21 H new ATOM 0 HH21 ARG A 52 15.136 6.303 -10.619 1.00 62.44 H new ATOM 0 HH22 ARG A 52 14.643 5.271 -11.966 1.00 62.44 H new ATOM 868 N LEU A 53 18.379 -1.269 -7.814 1.00 44.41 N ATOM 869 CA LEU A 53 18.915 -2.472 -7.258 1.00 53.44 C ATOM 870 C LEU A 53 19.734 -3.164 -8.327 1.00 51.31 C ATOM 871 O LEU A 53 19.360 -3.234 -9.500 1.00 23.24 O ATOM 872 CB LEU A 53 17.732 -3.335 -6.823 1.00 32.33 C ATOM 873 CG LEU A 53 16.999 -2.748 -5.603 1.00 55.24 C ATOM 874 CD1 LEU A 53 16.615 -1.265 -5.520 1.00 22.24 C ATOM 875 CD2 LEU A 53 15.822 -3.653 -5.230 1.00 41.14 C ATOM 0 H LEU A 53 17.362 -1.245 -7.742 1.00 44.41 H new ATOM 0 HA LEU A 53 19.559 -2.281 -6.400 1.00 53.44 H new ATOM 0 HB2 LEU A 53 17.032 -3.433 -7.653 1.00 32.33 H new ATOM 0 HB3 LEU A 53 18.085 -4.338 -6.584 1.00 32.33 H new ATOM 0 HG LEU A 53 17.805 -2.739 -4.869 1.00 55.24 H new ATOM 0 HD11 LEU A 53 16.108 -1.073 -4.575 1.00 22.24 H new ATOM 0 HD12 LEU A 53 17.514 -0.652 -5.580 1.00 22.24 H new ATOM 0 HD13 LEU A 53 15.949 -1.015 -6.346 1.00 22.24 H new ATOM 0 HD21 LEU A 53 15.303 -3.237 -4.366 1.00 41.14 H new ATOM 0 HD22 LEU A 53 15.132 -3.718 -6.071 1.00 41.14 H new ATOM 0 HD23 LEU A 53 16.192 -4.649 -4.986 1.00 41.14 H new ATOM 887 N ASP A 54 20.886 -3.638 -7.891 1.00 2.40 N ATOM 888 CA ASP A 54 21.851 -4.325 -8.734 1.00 32.41 C ATOM 889 C ASP A 54 21.350 -5.706 -9.131 1.00 71.22 C ATOM 890 O ASP A 54 21.599 -6.146 -10.252 1.00 4.43 O ATOM 891 CB ASP A 54 23.178 -4.446 -7.976 1.00 62.35 C ATOM 892 CG ASP A 54 24.287 -5.088 -8.809 1.00 3.51 C ATOM 893 OD1 ASP A 54 24.565 -4.606 -9.934 1.00 54.41 O ATOM 894 OD2 ASP A 54 25.004 -5.968 -8.283 1.00 52.53 O ATOM 0 H ASP A 54 21.185 -3.555 -6.919 1.00 2.40 H new ATOM 0 HA ASP A 54 21.994 -3.748 -9.648 1.00 32.41 H new ATOM 0 HB2 ASP A 54 23.499 -3.454 -7.657 1.00 62.35 H new ATOM 0 HB3 ASP A 54 23.022 -5.036 -7.073 1.00 62.35 H new ATOM 899 N THR A 55 20.612 -6.368 -8.240 1.00 21.51 N ATOM 900 CA THR A 55 20.087 -7.711 -8.469 1.00 71.01 C ATOM 901 C THR A 55 18.765 -7.929 -7.725 1.00 45.15 C ATOM 902 O THR A 55 18.747 -8.703 -6.770 1.00 41.40 O ATOM 903 CB THR A 55 21.162 -8.728 -8.020 1.00 73.13 C ATOM 904 OG1 THR A 55 21.775 -8.368 -6.786 1.00 35.13 O ATOM 905 CG2 THR A 55 22.303 -8.873 -9.017 1.00 2.41 C ATOM 0 H THR A 55 20.360 -5.982 -7.330 1.00 21.51 H new ATOM 0 HA THR A 55 19.869 -7.847 -9.528 1.00 71.01 H new ATOM 0 HB THR A 55 20.607 -9.662 -7.930 1.00 73.13 H new ATOM 0 HG1 THR A 55 22.445 -9.042 -6.545 1.00 35.13 H new ATOM 0 HG21 THR A 55 23.023 -9.601 -8.643 1.00 2.41 H new ATOM 0 HG22 THR A 55 21.908 -9.212 -9.975 1.00 2.41 H new ATOM 0 HG23 THR A 55 22.796 -7.910 -9.149 1.00 2.41 H new ATOM 913 N PRO A 56 17.659 -7.287 -8.126 1.00 3.22 N ATOM 914 CA PRO A 56 16.370 -7.435 -7.458 1.00 64.32 C ATOM 915 C PRO A 56 15.907 -8.907 -7.412 1.00 2.33 C ATOM 916 O PRO A 56 15.525 -9.433 -8.463 1.00 14.13 O ATOM 917 CB PRO A 56 15.411 -6.541 -8.245 1.00 1.44 C ATOM 918 CG PRO A 56 16.091 -6.260 -9.576 1.00 23.02 C ATOM 919 CD PRO A 56 17.573 -6.363 -9.246 1.00 3.42 C ATOM 0 HA PRO A 56 16.419 -7.138 -6.410 1.00 64.32 H new ATOM 0 HB2 PRO A 56 14.451 -7.036 -8.395 1.00 1.44 H new ATOM 0 HB3 PRO A 56 15.211 -5.615 -7.706 1.00 1.44 H new ATOM 0 HG2 PRO A 56 15.798 -6.983 -10.337 1.00 23.02 H new ATOM 0 HG3 PRO A 56 15.833 -5.273 -9.958 1.00 23.02 H new ATOM 0 HD2 PRO A 56 18.141 -6.729 -10.101 1.00 3.42 H new ATOM 0 HD3 PRO A 56 17.985 -5.389 -8.983 1.00 3.42 H new ATOM 927 N PRO A 57 15.904 -9.605 -6.252 1.00 55.23 N ATOM 928 CA PRO A 57 15.479 -10.996 -6.203 1.00 3.23 C ATOM 929 C PRO A 57 13.964 -11.170 -6.326 1.00 73.32 C ATOM 930 O PRO A 57 13.533 -12.273 -6.669 1.00 65.21 O ATOM 931 CB PRO A 57 15.980 -11.531 -4.858 1.00 15.02 C ATOM 932 CG PRO A 57 15.918 -10.301 -3.959 1.00 32.21 C ATOM 933 CD PRO A 57 16.320 -9.182 -4.916 1.00 65.41 C ATOM 0 HA PRO A 57 15.891 -11.543 -7.051 1.00 3.23 H new ATOM 0 HB2 PRO A 57 15.349 -12.337 -4.484 1.00 15.02 H new ATOM 0 HB3 PRO A 57 16.993 -11.927 -4.932 1.00 15.02 H new ATOM 0 HG2 PRO A 57 14.920 -10.147 -3.548 1.00 32.21 H new ATOM 0 HG3 PRO A 57 16.602 -10.379 -3.114 1.00 32.21 H new ATOM 0 HD2 PRO A 57 15.839 -8.244 -4.639 1.00 65.41 H new ATOM 0 HD3 PRO A 57 17.396 -9.011 -4.881 1.00 65.41 H new ATOM 941 N PHE A 58 13.145 -10.161 -6.006 1.00 2.12 N ATOM 942 CA PHE A 58 11.688 -10.246 -6.101 1.00 51.21 C ATOM 943 C PHE A 58 11.192 -9.555 -7.375 1.00 11.53 C ATOM 944 O PHE A 58 11.861 -8.693 -7.946 1.00 22.51 O ATOM 945 CB PHE A 58 11.016 -9.756 -4.808 1.00 71.44 C ATOM 946 CG PHE A 58 11.454 -8.395 -4.309 1.00 12.51 C ATOM 947 CD1 PHE A 58 12.386 -8.289 -3.255 1.00 63.43 C ATOM 948 CD2 PHE A 58 10.917 -7.228 -4.883 1.00 72.02 C ATOM 949 CE1 PHE A 58 12.792 -7.024 -2.791 1.00 31.51 C ATOM 950 CE2 PHE A 58 11.320 -5.969 -4.411 1.00 40.23 C ATOM 951 CZ PHE A 58 12.252 -5.863 -3.366 1.00 3.52 C ATOM 0 H PHE A 58 13.480 -9.257 -5.672 1.00 2.12 H new ATOM 0 HA PHE A 58 11.391 -11.291 -6.195 1.00 51.21 H new ATOM 0 HB2 PHE A 58 9.938 -9.733 -4.968 1.00 71.44 H new ATOM 0 HB3 PHE A 58 11.206 -10.488 -4.023 1.00 71.44 H new ATOM 0 HD1 PHE A 58 12.790 -9.183 -2.802 1.00 63.43 H new ATOM 0 HD2 PHE A 58 10.197 -7.301 -5.684 1.00 72.02 H new ATOM 0 HE1 PHE A 58 13.517 -6.947 -1.994 1.00 31.51 H new ATOM 0 HE2 PHE A 58 10.910 -5.074 -4.855 1.00 40.23 H new ATOM 0 HZ PHE A 58 12.553 -4.890 -3.006 1.00 3.52 H new ATOM 961 N SER A 59 9.999 -9.933 -7.829 1.00 65.43 N ATOM 962 CA SER A 59 9.374 -9.402 -9.032 1.00 53.33 C ATOM 963 C SER A 59 8.520 -8.160 -8.768 1.00 61.22 C ATOM 964 O SER A 59 8.035 -7.933 -7.656 1.00 44.43 O ATOM 965 CB SER A 59 8.517 -10.532 -9.609 1.00 51.22 C ATOM 966 OG SER A 59 9.317 -11.416 -10.372 1.00 15.40 O ATOM 0 H SER A 59 9.429 -10.634 -7.357 1.00 65.43 H new ATOM 0 HA SER A 59 10.146 -9.076 -9.729 1.00 53.33 H new ATOM 0 HB2 SER A 59 8.030 -11.077 -8.800 1.00 51.22 H new ATOM 0 HB3 SER A 59 7.727 -10.115 -10.233 1.00 51.22 H new ATOM 0 HG SER A 59 8.757 -12.134 -10.734 1.00 15.40 H new ATOM 972 N LYS A 60 8.296 -7.378 -9.831 1.00 54.21 N ATOM 973 CA LYS A 60 7.483 -6.159 -9.821 1.00 55.44 C ATOM 974 C LYS A 60 6.066 -6.533 -9.420 1.00 45.01 C ATOM 975 O LYS A 60 5.447 -5.865 -8.588 1.00 74.24 O ATOM 976 CB LYS A 60 7.471 -5.495 -11.210 1.00 33.33 C ATOM 977 CG LYS A 60 8.873 -5.200 -11.752 1.00 72.22 C ATOM 978 CD LYS A 60 8.807 -4.519 -13.128 1.00 74.04 C ATOM 979 CE LYS A 60 10.220 -4.207 -13.640 1.00 73.44 C ATOM 980 NZ LYS A 60 10.232 -3.490 -14.931 1.00 61.34 N ATOM 0 H LYS A 60 8.688 -7.584 -10.750 1.00 54.21 H new ATOM 0 HA LYS A 60 7.907 -5.448 -9.112 1.00 55.44 H new ATOM 0 HB2 LYS A 60 6.947 -6.145 -11.911 1.00 33.33 H new ATOM 0 HB3 LYS A 60 6.907 -4.564 -11.155 1.00 33.33 H new ATOM 0 HG2 LYS A 60 9.409 -4.559 -11.052 1.00 72.22 H new ATOM 0 HG3 LYS A 60 9.438 -6.129 -11.830 1.00 72.22 H new ATOM 0 HD2 LYS A 60 8.291 -5.167 -13.837 1.00 74.04 H new ATOM 0 HD3 LYS A 60 8.227 -3.599 -13.058 1.00 74.04 H new ATOM 0 HE2 LYS A 60 10.744 -3.608 -12.895 1.00 73.44 H new ATOM 0 HE3 LYS A 60 10.774 -5.140 -13.746 1.00 73.44 H new ATOM 0 HZ1 LYS A 60 11.215 -3.311 -15.219 1.00 61.34 H new ATOM 0 HZ2 LYS A 60 9.759 -4.069 -15.654 1.00 61.34 H new ATOM 0 HZ3 LYS A 60 9.730 -2.585 -14.830 1.00 61.34 H new ATOM 994 N LYS A 61 5.563 -7.626 -10.003 1.00 43.04 N ATOM 995 CA LYS A 61 4.240 -8.136 -9.714 1.00 13.55 C ATOM 996 C LYS A 61 4.144 -8.414 -8.222 1.00 73.30 C ATOM 997 O LYS A 61 3.184 -7.926 -7.630 1.00 72.35 O ATOM 998 CB LYS A 61 3.940 -9.375 -10.563 1.00 12.14 C ATOM 999 CG LYS A 61 3.325 -8.960 -11.906 1.00 43.21 C ATOM 1000 CD LYS A 61 3.162 -10.185 -12.804 1.00 75.41 C ATOM 1001 CE LYS A 61 2.111 -9.941 -13.890 1.00 71.11 C ATOM 1002 NZ LYS A 61 1.833 -11.169 -14.660 1.00 4.41 N ATOM 0 H LYS A 61 6.074 -8.178 -10.692 1.00 43.04 H new ATOM 0 HA LYS A 61 3.483 -7.397 -9.976 1.00 13.55 H new ATOM 0 HB2 LYS A 61 4.857 -9.939 -10.733 1.00 12.14 H new ATOM 0 HB3 LYS A 61 3.255 -10.034 -10.029 1.00 12.14 H new ATOM 0 HG2 LYS A 61 2.357 -8.487 -11.742 1.00 43.21 H new ATOM 0 HG3 LYS A 61 3.961 -8.222 -12.395 1.00 43.21 H new ATOM 0 HD2 LYS A 61 4.118 -10.429 -13.268 1.00 75.41 H new ATOM 0 HD3 LYS A 61 2.872 -11.045 -12.201 1.00 75.41 H new ATOM 0 HE2 LYS A 61 1.190 -9.581 -13.432 1.00 71.11 H new ATOM 0 HE3 LYS A 61 2.458 -9.158 -14.564 1.00 71.11 H new ATOM 0 HZ1 LYS A 61 1.117 -10.968 -15.387 1.00 4.41 H new ATOM 0 HZ2 LYS A 61 2.708 -11.498 -15.117 1.00 4.41 H new ATOM 0 HZ3 LYS A 61 1.478 -11.908 -14.019 1.00 4.41 H new ATOM 1016 N SER A 62 5.107 -9.119 -7.620 1.00 2.00 N ATOM 1017 CA SER A 62 5.114 -9.430 -6.194 1.00 52.42 C ATOM 1018 C SER A 62 5.076 -8.153 -5.353 1.00 42.01 C ATOM 1019 O SER A 62 4.249 -8.054 -4.450 1.00 33.21 O ATOM 1020 CB SER A 62 6.357 -10.247 -5.828 1.00 21.43 C ATOM 1021 OG SER A 62 6.628 -11.240 -6.796 1.00 52.14 O ATOM 0 H SER A 62 5.913 -9.493 -8.120 1.00 2.00 H new ATOM 0 HA SER A 62 4.221 -10.018 -5.979 1.00 52.42 H new ATOM 0 HB2 SER A 62 7.216 -9.583 -5.736 1.00 21.43 H new ATOM 0 HB3 SER A 62 6.212 -10.716 -4.855 1.00 21.43 H new ATOM 0 HG SER A 62 7.428 -11.742 -6.534 1.00 52.14 H new ATOM 1027 N LEU A 63 5.914 -7.157 -5.694 1.00 21.42 N ATOM 1028 CA LEU A 63 5.988 -5.888 -4.979 1.00 1.32 C ATOM 1029 C LEU A 63 4.591 -5.266 -4.908 1.00 31.21 C ATOM 1030 O LEU A 63 4.100 -5.002 -3.810 1.00 3.14 O ATOM 1031 CB LEU A 63 7.026 -4.956 -5.647 1.00 31.25 C ATOM 1032 CG LEU A 63 7.300 -3.656 -4.849 1.00 50.40 C ATOM 1033 CD1 LEU A 63 8.657 -3.642 -4.145 1.00 3.31 C ATOM 1034 CD2 LEU A 63 7.308 -2.418 -5.752 1.00 24.43 C ATOM 0 H LEU A 63 6.560 -7.219 -6.481 1.00 21.42 H new ATOM 0 HA LEU A 63 6.329 -6.050 -3.957 1.00 1.32 H new ATOM 0 HB2 LEU A 63 7.962 -5.500 -5.771 1.00 31.25 H new ATOM 0 HB3 LEU A 63 6.675 -4.692 -6.645 1.00 31.25 H new ATOM 0 HG LEU A 63 6.490 -3.631 -4.120 1.00 50.40 H new ATOM 0 HD11 LEU A 63 8.778 -2.702 -3.607 1.00 3.31 H new ATOM 0 HD12 LEU A 63 8.710 -4.472 -3.441 1.00 3.31 H new ATOM 0 HD13 LEU A 63 9.452 -3.742 -4.884 1.00 3.31 H new ATOM 0 HD21 LEU A 63 7.504 -1.530 -5.151 1.00 24.43 H new ATOM 0 HD22 LEU A 63 8.087 -2.524 -6.507 1.00 24.43 H new ATOM 0 HD23 LEU A 63 6.339 -2.318 -6.241 1.00 24.43 H new ATOM 1046 N ARG A 64 3.897 -5.092 -6.040 1.00 72.53 N ATOM 1047 CA ARG A 64 2.554 -4.506 -6.024 1.00 13.13 C ATOM 1048 C ARG A 64 1.502 -5.429 -5.422 1.00 71.42 C ATOM 1049 O ARG A 64 0.586 -4.937 -4.757 1.00 24.44 O ATOM 1050 CB ARG A 64 2.125 -4.087 -7.438 1.00 41.25 C ATOM 1051 CG ARG A 64 0.807 -3.289 -7.482 1.00 61.03 C ATOM 1052 CD ARG A 64 0.770 -2.144 -6.459 1.00 23.30 C ATOM 1053 NE ARG A 64 -0.127 -1.042 -6.843 1.00 3.12 N ATOM 1054 CZ ARG A 64 -0.386 0.042 -6.098 1.00 73.23 C ATOM 1055 NH1 ARG A 64 0.121 0.146 -4.872 1.00 70.43 N ATOM 1056 NH2 ARG A 64 -1.140 1.020 -6.586 1.00 72.52 N ATOM 0 H ARG A 64 4.239 -5.346 -6.967 1.00 72.53 H new ATOM 0 HA ARG A 64 2.618 -3.628 -5.381 1.00 13.13 H new ATOM 0 HB2 ARG A 64 2.917 -3.485 -7.884 1.00 41.25 H new ATOM 0 HB3 ARG A 64 2.018 -4.980 -8.054 1.00 41.25 H new ATOM 0 HG2 ARG A 64 0.668 -2.880 -8.483 1.00 61.03 H new ATOM 0 HG3 ARG A 64 -0.028 -3.964 -7.295 1.00 61.03 H new ATOM 0 HD2 ARG A 64 0.454 -2.540 -5.494 1.00 23.30 H new ATOM 0 HD3 ARG A 64 1.779 -1.752 -6.328 1.00 23.30 H new ATOM 0 HE ARG A 64 -0.589 -1.109 -7.750 1.00 3.12 H new ATOM 0 HH11 ARG A 64 0.708 -0.600 -4.498 1.00 70.43 H new ATOM 0 HH12 ARG A 64 -0.077 0.971 -4.307 1.00 70.43 H new ATOM 0 HH21 ARG A 64 -1.523 0.947 -7.529 1.00 72.52 H new ATOM 0 HH22 ARG A 64 -1.336 1.844 -6.018 1.00 72.52 H new ATOM 1070 N GLU A 65 1.576 -6.729 -5.683 1.00 63.33 N ATOM 1071 CA GLU A 65 0.640 -7.731 -5.185 1.00 13.04 C ATOM 1072 C GLU A 65 0.567 -7.618 -3.666 1.00 21.12 C ATOM 1073 O GLU A 65 -0.528 -7.525 -3.109 1.00 53.12 O ATOM 1074 CB GLU A 65 1.090 -9.119 -5.665 1.00 24.42 C ATOM 1075 CG GLU A 65 0.290 -10.290 -5.088 1.00 64.40 C ATOM 1076 CD GLU A 65 0.721 -11.600 -5.752 1.00 34.35 C ATOM 1077 OE1 GLU A 65 1.899 -11.998 -5.617 1.00 34.45 O ATOM 1078 OE2 GLU A 65 -0.113 -12.209 -6.461 1.00 21.03 O ATOM 0 H GLU A 65 2.312 -7.128 -6.265 1.00 63.33 H new ATOM 0 HA GLU A 65 -0.366 -7.569 -5.573 1.00 13.04 H new ATOM 0 HB2 GLU A 65 1.021 -9.152 -6.752 1.00 24.42 H new ATOM 0 HB3 GLU A 65 2.141 -9.254 -5.408 1.00 24.42 H new ATOM 0 HG2 GLU A 65 0.446 -10.351 -4.011 1.00 64.40 H new ATOM 0 HG3 GLU A 65 -0.776 -10.126 -5.247 1.00 64.40 H new ATOM 1085 N ALA A 66 1.737 -7.567 -3.027 1.00 30.45 N ATOM 1086 CA ALA A 66 1.873 -7.444 -1.594 1.00 70.15 C ATOM 1087 C ALA A 66 1.442 -6.046 -1.135 1.00 44.12 C ATOM 1088 O ALA A 66 0.647 -5.948 -0.203 1.00 1.33 O ATOM 1089 CB ALA A 66 3.323 -7.734 -1.224 1.00 45.11 C ATOM 0 H ALA A 66 2.632 -7.612 -3.514 1.00 30.45 H new ATOM 0 HA ALA A 66 1.225 -8.160 -1.088 1.00 70.15 H new ATOM 0 HB1 ALA A 66 3.448 -7.646 -0.145 1.00 45.11 H new ATOM 0 HB2 ALA A 66 3.584 -8.745 -1.539 1.00 45.11 H new ATOM 0 HB3 ALA A 66 3.976 -7.019 -1.724 1.00 45.11 H new ATOM 1095 N LEU A 67 1.884 -4.968 -1.806 1.00 22.11 N ATOM 1096 CA LEU A 67 1.538 -3.583 -1.441 1.00 53.11 C ATOM 1097 C LEU A 67 0.013 -3.416 -1.390 1.00 21.12 C ATOM 1098 O LEU A 67 -0.506 -2.714 -0.522 1.00 43.00 O ATOM 1099 CB LEU A 67 2.169 -2.586 -2.442 1.00 53.43 C ATOM 1100 CG LEU A 67 2.675 -1.255 -1.845 1.00 71.22 C ATOM 1101 CD1 LEU A 67 3.328 -0.420 -2.962 1.00 45.42 C ATOM 1102 CD2 LEU A 67 1.586 -0.413 -1.177 1.00 62.42 C ATOM 0 H LEU A 67 2.494 -5.033 -2.621 1.00 22.11 H new ATOM 0 HA LEU A 67 1.941 -3.368 -0.451 1.00 53.11 H new ATOM 0 HB2 LEU A 67 3.005 -3.080 -2.938 1.00 53.43 H new ATOM 0 HB3 LEU A 67 1.431 -2.359 -3.212 1.00 53.43 H new ATOM 0 HG LEU A 67 3.387 -1.522 -1.064 1.00 71.22 H new ATOM 0 HD11 LEU A 67 3.688 0.522 -2.549 1.00 45.42 H new ATOM 0 HD12 LEU A 67 4.165 -0.973 -3.388 1.00 45.42 H new ATOM 0 HD13 LEU A 67 2.593 -0.217 -3.741 1.00 45.42 H new ATOM 0 HD21 LEU A 67 2.025 0.504 -0.784 1.00 62.42 H new ATOM 0 HD22 LEU A 67 0.819 -0.163 -1.910 1.00 62.42 H new ATOM 0 HD23 LEU A 67 1.138 -0.979 -0.361 1.00 62.42 H new ATOM 1114 N SER A 68 -0.714 -4.111 -2.268 1.00 21.14 N ATOM 1115 CA SER A 68 -2.172 -4.067 -2.326 1.00 65.23 C ATOM 1116 C SER A 68 -2.800 -4.429 -0.971 1.00 23.13 C ATOM 1117 O SER A 68 -3.873 -3.925 -0.651 1.00 31.40 O ATOM 1118 CB SER A 68 -2.687 -4.993 -3.431 1.00 50.42 C ATOM 1119 OG SER A 68 -2.080 -4.721 -4.689 1.00 70.41 O ATOM 0 H SER A 68 -0.299 -4.727 -2.967 1.00 21.14 H new ATOM 0 HA SER A 68 -2.470 -3.045 -2.560 1.00 65.23 H new ATOM 0 HB2 SER A 68 -2.494 -6.029 -3.153 1.00 50.42 H new ATOM 0 HB3 SER A 68 -3.768 -4.883 -3.520 1.00 50.42 H new ATOM 0 HG SER A 68 -1.191 -5.133 -4.719 1.00 70.41 H new ATOM 1125 N TYR A 69 -2.176 -5.311 -0.177 1.00 64.32 N ATOM 1126 CA TYR A 69 -2.698 -5.692 1.132 1.00 24.22 C ATOM 1127 C TYR A 69 -2.605 -4.504 2.088 1.00 55.40 C ATOM 1128 O TYR A 69 -3.538 -4.271 2.856 1.00 61.44 O ATOM 1129 CB TYR A 69 -1.953 -6.906 1.711 1.00 41.34 C ATOM 1130 CG TYR A 69 -2.743 -8.195 1.672 1.00 4.53 C ATOM 1131 CD1 TYR A 69 -3.023 -8.874 2.871 1.00 5.42 C ATOM 1132 CD2 TYR A 69 -3.207 -8.713 0.449 1.00 13.30 C ATOM 1133 CE1 TYR A 69 -3.777 -10.055 2.854 1.00 54.20 C ATOM 1134 CE2 TYR A 69 -3.987 -9.881 0.428 1.00 23.32 C ATOM 1135 CZ TYR A 69 -4.280 -10.556 1.633 1.00 5.02 C ATOM 1136 OH TYR A 69 -5.031 -11.687 1.614 1.00 71.21 O ATOM 0 H TYR A 69 -1.302 -5.774 -0.427 1.00 64.32 H new ATOM 0 HA TYR A 69 -3.742 -5.980 1.010 1.00 24.22 H new ATOM 0 HB2 TYR A 69 -1.024 -7.046 1.158 1.00 41.34 H new ATOM 0 HB3 TYR A 69 -1.680 -6.692 2.744 1.00 41.34 H new ATOM 0 HD1 TYR A 69 -2.656 -8.484 3.809 1.00 5.42 H new ATOM 0 HD2 TYR A 69 -2.963 -8.211 -0.476 1.00 13.30 H new ATOM 0 HE1 TYR A 69 -3.974 -10.583 3.776 1.00 54.20 H new ATOM 0 HE2 TYR A 69 -4.363 -10.263 -0.510 1.00 23.32 H new ATOM 0 HH TYR A 69 -5.295 -11.889 0.692 1.00 71.21 H new ATOM 1146 N TYR A 70 -1.497 -3.752 2.070 1.00 62.25 N ATOM 1147 CA TYR A 70 -1.340 -2.591 2.942 1.00 20.33 C ATOM 1148 C TYR A 70 -2.409 -1.551 2.599 1.00 32.33 C ATOM 1149 O TYR A 70 -2.975 -0.936 3.507 1.00 13.11 O ATOM 1150 CB TYR A 70 0.081 -2.012 2.885 1.00 42.04 C ATOM 1151 CG TYR A 70 1.039 -2.532 3.947 1.00 51.50 C ATOM 1152 CD1 TYR A 70 1.072 -3.897 4.293 1.00 5.23 C ATOM 1153 CD2 TYR A 70 1.920 -1.640 4.592 1.00 43.42 C ATOM 1154 CE1 TYR A 70 1.981 -4.368 5.258 1.00 62.13 C ATOM 1155 CE2 TYR A 70 2.844 -2.112 5.543 1.00 2.43 C ATOM 1156 CZ TYR A 70 2.887 -3.482 5.877 1.00 71.32 C ATOM 1157 OH TYR A 70 3.723 -3.943 6.846 1.00 64.43 O ATOM 0 H TYR A 70 -0.699 -3.930 1.460 1.00 62.25 H new ATOM 0 HA TYR A 70 -1.484 -2.906 3.976 1.00 20.33 H new ATOM 0 HB2 TYR A 70 0.503 -2.225 1.903 1.00 42.04 H new ATOM 0 HB3 TYR A 70 0.018 -0.928 2.976 1.00 42.04 H new ATOM 0 HD1 TYR A 70 0.394 -4.588 3.814 1.00 5.23 H new ATOM 0 HD2 TYR A 70 1.886 -0.587 4.355 1.00 43.42 H new ATOM 0 HE1 TYR A 70 1.985 -5.414 5.526 1.00 62.13 H new ATOM 0 HE2 TYR A 70 3.524 -1.421 6.020 1.00 2.43 H new ATOM 0 HH TYR A 70 4.285 -3.208 7.170 1.00 64.43 H new ATOM 1167 N SER A 71 -2.742 -1.390 1.322 1.00 53.54 N ATOM 1168 CA SER A 71 -3.767 -0.443 0.877 1.00 70.23 C ATOM 1169 C SER A 71 -5.191 -0.996 1.067 1.00 30.42 C ATOM 1170 O SER A 71 -6.170 -0.307 0.763 1.00 72.11 O ATOM 1171 CB SER A 71 -3.570 -0.099 -0.590 1.00 70.04 C ATOM 1172 OG SER A 71 -2.209 0.077 -0.942 1.00 72.23 O ATOM 0 H SER A 71 -2.309 -1.913 0.561 1.00 53.54 H new ATOM 0 HA SER A 71 -3.658 0.449 1.493 1.00 70.23 H new ATOM 0 HB2 SER A 71 -3.998 -0.892 -1.203 1.00 70.04 H new ATOM 0 HB3 SER A 71 -4.119 0.814 -0.820 1.00 70.04 H new ATOM 0 HG SER A 71 -2.143 0.294 -1.895 1.00 72.23 H new ATOM 1178 N ALA A 72 -5.325 -2.233 1.542 1.00 13.22 N ATOM 1179 CA ALA A 72 -6.573 -2.932 1.813 1.00 55.53 C ATOM 1180 C ALA A 72 -6.656 -3.273 3.303 1.00 24.24 C ATOM 1181 O ALA A 72 -7.469 -4.110 3.705 1.00 72.43 O ATOM 1182 CB ALA A 72 -6.676 -4.178 0.929 1.00 23.13 C ATOM 0 H ALA A 72 -4.511 -2.807 1.761 1.00 13.22 H new ATOM 0 HA ALA A 72 -7.421 -2.291 1.571 1.00 55.53 H new ATOM 0 HB1 ALA A 72 -7.612 -4.696 1.138 1.00 23.13 H new ATOM 0 HB2 ALA A 72 -6.650 -3.883 -0.120 1.00 23.13 H new ATOM 0 HB3 ALA A 72 -5.839 -4.844 1.139 1.00 23.13 H new ATOM 1188 N SER A 73 -5.759 -2.716 4.123 1.00 14.41 N ATOM 1189 CA SER A 73 -5.731 -2.937 5.561 1.00 32.32 C ATOM 1190 C SER A 73 -7.097 -2.549 6.135 1.00 73.34 C ATOM 1191 O SER A 73 -7.729 -1.634 5.593 1.00 3.25 O ATOM 1192 CB SER A 73 -4.652 -2.073 6.226 1.00 23.34 C ATOM 1193 OG SER A 73 -3.375 -2.343 5.691 1.00 45.04 O ATOM 0 H SER A 73 -5.023 -2.090 3.795 1.00 14.41 H new ATOM 0 HA SER A 73 -5.506 -3.986 5.756 1.00 32.32 H new ATOM 0 HB2 SER A 73 -4.891 -1.019 6.087 1.00 23.34 H new ATOM 0 HB3 SER A 73 -4.645 -2.259 7.300 1.00 23.34 H new ATOM 0 HG SER A 73 -3.178 -1.703 4.976 1.00 45.04 H new ATOM 1199 N PRO A 74 -7.540 -3.188 7.230 1.00 35.45 N ATOM 1200 CA PRO A 74 -8.818 -2.867 7.828 1.00 74.32 C ATOM 1201 C PRO A 74 -8.817 -1.387 8.191 1.00 14.24 C ATOM 1202 O PRO A 74 -9.651 -0.646 7.682 1.00 24.22 O ATOM 1203 CB PRO A 74 -9.003 -3.820 9.013 1.00 45.44 C ATOM 1204 CG PRO A 74 -7.618 -4.402 9.275 1.00 23.14 C ATOM 1205 CD PRO A 74 -6.876 -4.259 7.951 1.00 72.45 C ATOM 0 HA PRO A 74 -9.668 -3.009 7.161 1.00 74.32 H new ATOM 0 HB2 PRO A 74 -9.381 -3.292 9.888 1.00 45.44 H new ATOM 0 HB3 PRO A 74 -9.723 -4.605 8.779 1.00 45.44 H new ATOM 0 HG2 PRO A 74 -7.108 -3.864 10.074 1.00 23.14 H new ATOM 0 HG3 PRO A 74 -7.680 -5.446 9.583 1.00 23.14 H new ATOM 0 HD2 PRO A 74 -5.825 -4.024 8.117 1.00 72.45 H new ATOM 0 HD3 PRO A 74 -6.909 -5.189 7.384 1.00 72.45 H new ATOM 1213 N ALA A 75 -7.806 -0.931 8.935 1.00 34.54 N ATOM 1214 CA ALA A 75 -7.678 0.448 9.369 1.00 63.32 C ATOM 1215 C ALA A 75 -7.680 1.471 8.235 1.00 44.14 C ATOM 1216 O ALA A 75 -8.251 2.547 8.410 1.00 14.54 O ATOM 1217 CB ALA A 75 -6.426 0.574 10.232 1.00 11.22 C ATOM 0 H ALA A 75 -7.043 -1.527 9.255 1.00 34.54 H new ATOM 0 HA ALA A 75 -8.569 0.689 9.949 1.00 63.32 H new ATOM 0 HB1 ALA A 75 -6.317 1.606 10.566 1.00 11.22 H new ATOM 0 HB2 ALA A 75 -6.514 -0.080 11.099 1.00 11.22 H new ATOM 0 HB3 ALA A 75 -5.551 0.287 9.648 1.00 11.22 H new ATOM 1223 N TYR A 76 -7.059 1.152 7.093 1.00 32.40 N ATOM 1224 CA TYR A 76 -7.006 2.050 5.946 1.00 2.42 C ATOM 1225 C TYR A 76 -8.424 2.336 5.447 1.00 61.20 C ATOM 1226 O TYR A 76 -8.833 3.485 5.276 1.00 21.54 O ATOM 1227 CB TYR A 76 -6.189 1.415 4.797 1.00 13.12 C ATOM 1228 CG TYR A 76 -6.164 2.247 3.535 1.00 63.23 C ATOM 1229 CD1 TYR A 76 -5.171 3.224 3.356 1.00 72.44 C ATOM 1230 CD2 TYR A 76 -7.134 2.049 2.537 1.00 32.11 C ATOM 1231 CE1 TYR A 76 -5.130 3.979 2.177 1.00 63.53 C ATOM 1232 CE2 TYR A 76 -7.081 2.788 1.344 1.00 40.15 C ATOM 1233 CZ TYR A 76 -6.065 3.751 1.149 1.00 10.23 C ATOM 1234 OH TYR A 76 -5.960 4.453 -0.014 1.00 10.03 O ATOM 0 H TYR A 76 -6.581 0.263 6.944 1.00 32.40 H new ATOM 0 HA TYR A 76 -6.526 2.978 6.258 1.00 2.42 H new ATOM 0 HB2 TYR A 76 -5.166 1.255 5.136 1.00 13.12 H new ATOM 0 HB3 TYR A 76 -6.605 0.434 4.567 1.00 13.12 H new ATOM 0 HD1 TYR A 76 -4.437 3.394 4.130 1.00 72.44 H new ATOM 0 HD2 TYR A 76 -7.922 1.326 2.688 1.00 32.11 H new ATOM 0 HE1 TYR A 76 -4.375 4.742 2.055 1.00 63.53 H new ATOM 0 HE2 TYR A 76 -7.819 2.620 0.573 1.00 40.15 H new ATOM 0 HH TYR A 76 -6.677 4.183 -0.625 1.00 10.03 H new ATOM 1244 N LEU A 77 -9.179 1.266 5.197 1.00 13.11 N ATOM 1245 CA LEU A 77 -10.534 1.349 4.683 1.00 12.42 C ATOM 1246 C LEU A 77 -11.493 1.905 5.731 1.00 43.13 C ATOM 1247 O LEU A 77 -12.249 2.831 5.445 1.00 55.11 O ATOM 1248 CB LEU A 77 -10.984 -0.052 4.244 1.00 42.10 C ATOM 1249 CG LEU A 77 -10.105 -0.716 3.165 1.00 74.11 C ATOM 1250 CD1 LEU A 77 -10.396 -2.216 3.149 1.00 53.41 C ATOM 1251 CD2 LEU A 77 -10.313 -0.100 1.780 1.00 2.05 C ATOM 0 H LEU A 77 -8.858 0.310 5.349 1.00 13.11 H new ATOM 0 HA LEU A 77 -10.547 2.030 3.832 1.00 12.42 H new ATOM 0 HB2 LEU A 77 -11.007 -0.700 5.120 1.00 42.10 H new ATOM 0 HB3 LEU A 77 -12.005 0.013 3.869 1.00 42.10 H new ATOM 0 HG LEU A 77 -9.059 -0.543 3.417 1.00 74.11 H new ATOM 0 HD11 LEU A 77 -9.780 -2.698 2.390 1.00 53.41 H new ATOM 0 HD12 LEU A 77 -10.167 -2.642 4.126 1.00 53.41 H new ATOM 0 HD13 LEU A 77 -11.449 -2.380 2.920 1.00 53.41 H new ATOM 0 HD21 LEU A 77 -9.671 -0.604 1.058 1.00 2.05 H new ATOM 0 HD22 LEU A 77 -11.355 -0.217 1.483 1.00 2.05 H new ATOM 0 HD23 LEU A 77 -10.062 0.960 1.812 1.00 2.05 H new ATOM 1263 N SER A 78 -11.421 1.374 6.951 1.00 62.43 N ATOM 1264 CA SER A 78 -12.251 1.741 8.090 1.00 61.31 C ATOM 1265 C SER A 78 -12.139 3.212 8.468 1.00 74.32 C ATOM 1266 O SER A 78 -13.104 3.768 9.008 1.00 22.21 O ATOM 1267 CB SER A 78 -11.870 0.867 9.296 1.00 13.00 C ATOM 1268 OG SER A 78 -12.966 0.625 10.154 1.00 34.53 O ATOM 0 H SER A 78 -10.749 0.641 7.179 1.00 62.43 H new ATOM 0 HA SER A 78 -13.288 1.572 7.799 1.00 61.31 H new ATOM 0 HB2 SER A 78 -11.473 -0.084 8.941 1.00 13.00 H new ATOM 0 HB3 SER A 78 -11.073 1.355 9.858 1.00 13.00 H new ATOM 0 HG SER A 78 -12.677 0.065 10.904 1.00 34.53 H new ATOM 1274 N CYS A 79 -11.022 3.881 8.159 1.00 42.04 N ATOM 1275 CA CYS A 79 -10.929 5.277 8.544 1.00 13.31 C ATOM 1276 C CYS A 79 -11.788 6.165 7.647 1.00 42.40 C ATOM 1277 O CYS A 79 -12.155 7.239 8.113 1.00 41.24 O ATOM 1278 CB CYS A 79 -9.470 5.732 8.535 1.00 3.25 C ATOM 1279 SG CYS A 79 -9.238 6.898 9.906 1.00 11.34 S ATOM 0 H CYS A 79 -10.214 3.497 7.669 1.00 42.04 H new ATOM 0 HA CYS A 79 -11.316 5.375 9.558 1.00 13.31 H new ATOM 0 HB2 CYS A 79 -8.803 4.877 8.645 1.00 3.25 H new ATOM 0 HB3 CYS A 79 -9.225 6.207 7.585 1.00 3.25 H new ATOM 0 HG CYS A 79 -8.003 7.303 9.927 1.00 11.34 H new ATOM 1285 N GLN A 80 -12.167 5.698 6.447 1.00 72.20 N ATOM 1286 CA GLN A 80 -12.992 6.354 5.426 1.00 54.22 C ATOM 1287 C GLN A 80 -13.272 7.843 5.669 1.00 62.45 C ATOM 1288 O GLN A 80 -14.387 8.224 6.028 1.00 10.05 O ATOM 1289 CB GLN A 80 -14.278 5.546 5.169 1.00 40.33 C ATOM 1290 CG GLN A 80 -15.118 5.270 6.429 1.00 72.14 C ATOM 1291 CD GLN A 80 -16.593 5.577 6.194 1.00 44.54 C ATOM 1292 OE1 GLN A 80 -17.434 4.683 6.216 1.00 25.40 O ATOM 1293 NE2 GLN A 80 -16.915 6.842 5.993 1.00 51.24 N ATOM 0 H GLN A 80 -11.877 4.769 6.142 1.00 72.20 H new ATOM 0 HA GLN A 80 -12.390 6.356 4.517 1.00 54.22 H new ATOM 0 HB2 GLN A 80 -14.893 6.085 4.448 1.00 40.33 H new ATOM 0 HB3 GLN A 80 -14.009 4.594 4.711 1.00 40.33 H new ATOM 0 HG2 GLN A 80 -15.004 4.226 6.722 1.00 72.14 H new ATOM 0 HG3 GLN A 80 -14.746 5.875 7.256 1.00 72.14 H new ATOM 0 HE21 GLN A 80 -16.188 7.558 5.981 1.00 51.24 H new ATOM 0 HE22 GLN A 80 -17.890 7.103 5.849 1.00 51.24 H new ATOM 1302 N LYS A 81 -12.253 8.679 5.451 1.00 75.43 N ATOM 1303 CA LYS A 81 -12.320 10.119 5.640 1.00 62.15 C ATOM 1304 C LYS A 81 -11.718 10.802 4.415 1.00 34.11 C ATOM 1305 O LYS A 81 -10.517 10.646 4.180 1.00 74.35 O ATOM 1306 CB LYS A 81 -11.616 10.506 6.955 1.00 52.20 C ATOM 1307 CG LYS A 81 -12.636 10.412 8.099 1.00 42.30 C ATOM 1308 CD LYS A 81 -12.042 10.229 9.496 1.00 41.55 C ATOM 1309 CE LYS A 81 -13.258 10.038 10.404 1.00 33.45 C ATOM 1310 NZ LYS A 81 -12.955 9.397 11.694 1.00 51.33 N ATOM 0 H LYS A 81 -11.339 8.359 5.130 1.00 75.43 H new ATOM 0 HA LYS A 81 -13.353 10.455 5.731 1.00 62.15 H new ATOM 0 HB2 LYS A 81 -10.773 9.841 7.143 1.00 52.20 H new ATOM 0 HB3 LYS A 81 -11.215 11.517 6.887 1.00 52.20 H new ATOM 0 HG2 LYS A 81 -13.243 11.317 8.097 1.00 42.30 H new ATOM 0 HG3 LYS A 81 -13.307 9.578 7.896 1.00 42.30 H new ATOM 0 HD2 LYS A 81 -11.377 9.366 9.535 1.00 41.55 H new ATOM 0 HD3 LYS A 81 -11.455 11.097 9.795 1.00 41.55 H new ATOM 0 HE2 LYS A 81 -13.713 11.011 10.593 1.00 33.45 H new ATOM 0 HE3 LYS A 81 -13.999 9.436 9.878 1.00 33.45 H new ATOM 0 HZ1 LYS A 81 -13.829 9.304 12.249 1.00 51.33 H new ATOM 0 HZ2 LYS A 81 -12.549 8.454 11.526 1.00 51.33 H new ATOM 0 HZ3 LYS A 81 -12.272 9.979 12.219 1.00 51.33 H new ATOM 1324 N PRO A 82 -12.536 11.476 3.590 1.00 72.40 N ATOM 1325 CA PRO A 82 -12.062 12.183 2.412 1.00 14.50 C ATOM 1326 C PRO A 82 -11.354 13.462 2.863 1.00 42.03 C ATOM 1327 O PRO A 82 -11.245 13.741 4.059 1.00 63.03 O ATOM 1328 CB PRO A 82 -13.328 12.514 1.614 1.00 14.42 C ATOM 1329 CG PRO A 82 -14.380 12.700 2.701 1.00 41.32 C ATOM 1330 CD PRO A 82 -13.962 11.704 3.775 1.00 62.32 C ATOM 0 HA PRO A 82 -11.357 11.605 1.814 1.00 14.50 H new ATOM 0 HB2 PRO A 82 -13.203 13.416 1.015 1.00 14.42 H new ATOM 0 HB3 PRO A 82 -13.594 11.710 0.928 1.00 14.42 H new ATOM 0 HG2 PRO A 82 -14.387 13.721 3.082 1.00 41.32 H new ATOM 0 HG3 PRO A 82 -15.383 12.491 2.329 1.00 41.32 H new ATOM 0 HD2 PRO A 82 -14.167 12.098 4.771 1.00 62.32 H new ATOM 0 HD3 PRO A 82 -14.520 10.773 3.680 1.00 62.32 H new ATOM 1338 N ASP A 83 -10.855 14.240 1.903 1.00 51.32 N ATOM 1339 CA ASP A 83 -10.179 15.520 2.162 1.00 62.54 C ATOM 1340 C ASP A 83 -9.022 15.373 3.157 1.00 5.11 C ATOM 1341 O ASP A 83 -8.806 16.226 4.024 1.00 1.22 O ATOM 1342 CB ASP A 83 -11.194 16.602 2.568 1.00 35.11 C ATOM 1343 CG ASP A 83 -12.378 16.682 1.612 1.00 0.12 C ATOM 1344 OD1 ASP A 83 -12.186 17.038 0.429 1.00 72.53 O ATOM 1345 OD2 ASP A 83 -13.517 16.395 2.049 1.00 23.22 O ATOM 0 H ASP A 83 -10.907 14.001 0.913 1.00 51.32 H new ATOM 0 HA ASP A 83 -9.718 15.852 1.232 1.00 62.54 H new ATOM 0 HB2 ASP A 83 -11.558 16.395 3.574 1.00 35.11 H new ATOM 0 HB3 ASP A 83 -10.694 17.570 2.603 1.00 35.11 H new ATOM 1350 N THR A 84 -8.237 14.307 2.983 1.00 32.42 N ATOM 1351 CA THR A 84 -7.099 13.936 3.821 1.00 71.24 C ATOM 1352 C THR A 84 -5.713 14.211 3.206 1.00 31.03 C ATOM 1353 O THR A 84 -4.738 14.133 3.949 1.00 42.33 O ATOM 1354 CB THR A 84 -7.306 12.468 4.247 1.00 34.13 C ATOM 1355 OG1 THR A 84 -6.303 12.015 5.136 1.00 33.13 O ATOM 1356 CG2 THR A 84 -7.381 11.509 3.052 1.00 24.24 C ATOM 0 H THR A 84 -8.386 13.650 2.218 1.00 32.42 H new ATOM 0 HA THR A 84 -7.082 14.588 4.695 1.00 71.24 H new ATOM 0 HB THR A 84 -8.266 12.460 4.763 1.00 34.13 H new ATOM 0 HG1 THR A 84 -5.475 12.516 4.978 1.00 33.13 H new ATOM 0 HG21 THR A 84 -7.527 10.490 3.412 1.00 24.24 H new ATOM 0 HG22 THR A 84 -8.216 11.791 2.411 1.00 24.24 H new ATOM 0 HG23 THR A 84 -6.453 11.563 2.483 1.00 24.24 H new ATOM 1364 N ALA A 85 -5.597 14.553 1.916 1.00 0.01 N ATOM 1365 CA ALA A 85 -4.333 14.856 1.217 1.00 61.45 C ATOM 1366 C ALA A 85 -3.344 13.689 1.145 1.00 72.33 C ATOM 1367 O ALA A 85 -2.710 13.304 2.126 1.00 3.12 O ATOM 1368 CB ALA A 85 -3.689 16.138 1.763 1.00 2.41 C ATOM 0 H ALA A 85 -6.409 14.630 1.304 1.00 0.01 H new ATOM 0 HA ALA A 85 -4.611 15.032 0.178 1.00 61.45 H new ATOM 0 HB1 ALA A 85 -2.760 16.335 1.228 1.00 2.41 H new ATOM 0 HB2 ALA A 85 -4.372 16.976 1.624 1.00 2.41 H new ATOM 0 HB3 ALA A 85 -3.477 16.015 2.825 1.00 2.41 H new ATOM 1374 N ARG A 86 -3.287 13.050 -0.023 1.00 64.31 N ATOM 1375 CA ARG A 86 -2.377 11.934 -0.278 1.00 74.34 C ATOM 1376 C ARG A 86 -0.952 12.511 -0.452 1.00 55.50 C ATOM 1377 O ARG A 86 -0.800 13.720 -0.636 1.00 72.11 O ATOM 1378 CB ARG A 86 -2.855 11.215 -1.554 1.00 4.33 C ATOM 1379 CG ARG A 86 -4.279 10.631 -1.544 1.00 21.01 C ATOM 1380 CD ARG A 86 -4.713 10.117 -2.932 1.00 1.54 C ATOM 1381 NE ARG A 86 -4.744 11.197 -3.941 1.00 43.35 N ATOM 1382 CZ ARG A 86 -5.722 11.522 -4.799 1.00 51.43 C ATOM 1383 NH1 ARG A 86 -6.871 10.857 -4.864 1.00 21.31 N ATOM 1384 NH2 ARG A 86 -5.538 12.548 -5.617 1.00 34.34 N ATOM 0 H ARG A 86 -3.873 13.293 -0.822 1.00 64.31 H new ATOM 0 HA ARG A 86 -2.365 11.217 0.543 1.00 74.34 H new ATOM 0 HB2 ARG A 86 -2.785 11.918 -2.384 1.00 4.33 H new ATOM 0 HB3 ARG A 86 -2.159 10.403 -1.764 1.00 4.33 H new ATOM 0 HG2 ARG A 86 -4.328 9.813 -0.825 1.00 21.01 H new ATOM 0 HG3 ARG A 86 -4.980 11.395 -1.207 1.00 21.01 H new ATOM 0 HD2 ARG A 86 -4.027 9.336 -3.259 1.00 1.54 H new ATOM 0 HD3 ARG A 86 -5.701 9.663 -2.857 1.00 1.54 H new ATOM 0 HE ARG A 86 -3.905 11.775 -3.992 1.00 43.35 H new ATOM 0 HH11 ARG A 86 -7.037 10.063 -4.245 1.00 21.31 H new ATOM 0 HH12 ARG A 86 -7.587 11.140 -5.533 1.00 21.31 H new ATOM 0 HH21 ARG A 86 -4.665 13.074 -5.587 1.00 34.34 H new ATOM 0 HH22 ARG A 86 -6.270 12.811 -6.277 1.00 34.34 H new ATOM 1398 N VAL A 87 0.087 11.674 -0.465 1.00 24.10 N ATOM 1399 CA VAL A 87 1.489 12.089 -0.636 1.00 21.42 C ATOM 1400 C VAL A 87 2.225 11.125 -1.569 1.00 21.41 C ATOM 1401 O VAL A 87 1.833 9.959 -1.676 1.00 24.10 O ATOM 1402 CB VAL A 87 2.218 12.196 0.720 1.00 55.51 C ATOM 1403 CG1 VAL A 87 1.775 13.427 1.515 1.00 34.24 C ATOM 1404 CG2 VAL A 87 2.044 10.954 1.608 1.00 52.52 C ATOM 0 H VAL A 87 -0.021 10.666 -0.355 1.00 24.10 H new ATOM 0 HA VAL A 87 1.488 13.080 -1.089 1.00 21.42 H new ATOM 0 HB VAL A 87 3.272 12.284 0.457 1.00 55.51 H new ATOM 0 HG11 VAL A 87 2.314 13.462 2.462 1.00 34.24 H new ATOM 0 HG12 VAL A 87 1.991 14.328 0.941 1.00 34.24 H new ATOM 0 HG13 VAL A 87 0.704 13.369 1.709 1.00 34.24 H new ATOM 0 HG21 VAL A 87 2.582 11.098 2.545 1.00 52.52 H new ATOM 0 HG22 VAL A 87 0.985 10.802 1.818 1.00 52.52 H new ATOM 0 HG23 VAL A 87 2.441 10.080 1.092 1.00 52.52 H new ATOM 1414 N ASP A 88 3.256 11.607 -2.264 1.00 51.42 N ATOM 1415 CA ASP A 88 4.085 10.828 -3.191 1.00 13.21 C ATOM 1416 C ASP A 88 5.340 10.303 -2.468 1.00 24.30 C ATOM 1417 O ASP A 88 5.567 10.622 -1.299 1.00 73.14 O ATOM 1418 CB ASP A 88 4.354 11.642 -4.483 1.00 2.20 C ATOM 1419 CG ASP A 88 5.531 12.623 -4.504 1.00 11.43 C ATOM 1420 OD1 ASP A 88 5.805 13.195 -5.590 1.00 55.01 O ATOM 1421 OD2 ASP A 88 6.173 12.836 -3.461 1.00 72.31 O ATOM 0 H ASP A 88 3.548 12.582 -2.197 1.00 51.42 H new ATOM 0 HA ASP A 88 3.557 9.935 -3.525 1.00 13.21 H new ATOM 0 HB2 ASP A 88 4.502 10.932 -5.296 1.00 2.20 H new ATOM 0 HB3 ASP A 88 3.450 12.206 -4.712 1.00 2.20 H new ATOM 1426 N ILE A 89 6.153 9.475 -3.137 1.00 54.42 N ATOM 1427 CA ILE A 89 7.389 8.883 -2.587 1.00 34.11 C ATOM 1428 C ILE A 89 8.463 9.924 -2.248 1.00 23.52 C ATOM 1429 O ILE A 89 9.439 9.591 -1.578 1.00 73.21 O ATOM 1430 CB ILE A 89 8.011 7.856 -3.571 1.00 74.24 C ATOM 1431 CG1 ILE A 89 7.948 8.366 -5.025 1.00 55.04 C ATOM 1432 CG2 ILE A 89 7.326 6.492 -3.479 1.00 10.34 C ATOM 1433 CD1 ILE A 89 8.999 7.751 -5.937 1.00 13.34 C ATOM 0 H ILE A 89 5.969 9.189 -4.099 1.00 54.42 H new ATOM 0 HA ILE A 89 7.079 8.392 -1.665 1.00 34.11 H new ATOM 0 HB ILE A 89 9.055 7.738 -3.279 1.00 74.24 H new ATOM 0 HG12 ILE A 89 6.959 8.155 -5.432 1.00 55.04 H new ATOM 0 HG13 ILE A 89 8.069 9.449 -5.026 1.00 55.04 H new ATOM 0 HG21 ILE A 89 7.791 5.803 -4.184 1.00 10.34 H new ATOM 0 HG22 ILE A 89 7.429 6.101 -2.467 1.00 10.34 H new ATOM 0 HG23 ILE A 89 6.269 6.599 -3.721 1.00 10.34 H new ATOM 0 HD11 ILE A 89 8.892 8.158 -6.942 1.00 13.34 H new ATOM 0 HD12 ILE A 89 9.993 7.984 -5.555 1.00 13.34 H new ATOM 0 HD13 ILE A 89 8.866 6.670 -5.968 1.00 13.34 H new ATOM 1445 N TYR A 90 8.350 11.144 -2.766 1.00 25.15 N ATOM 1446 CA TYR A 90 9.275 12.233 -2.497 1.00 12.24 C ATOM 1447 C TYR A 90 8.718 13.038 -1.307 1.00 23.21 C ATOM 1448 O TYR A 90 9.391 13.931 -0.798 1.00 0.42 O ATOM 1449 CB TYR A 90 9.435 13.116 -3.739 1.00 51.33 C ATOM 1450 CG TYR A 90 10.026 12.449 -4.968 1.00 63.03 C ATOM 1451 CD1 TYR A 90 9.230 11.648 -5.811 1.00 23.13 C ATOM 1452 CD2 TYR A 90 11.376 12.659 -5.297 1.00 21.15 C ATOM 1453 CE1 TYR A 90 9.772 11.064 -6.967 1.00 12.15 C ATOM 1454 CE2 TYR A 90 11.922 12.071 -6.448 1.00 1.21 C ATOM 1455 CZ TYR A 90 11.123 11.280 -7.298 1.00 43.13 C ATOM 1456 OH TYR A 90 11.653 10.684 -8.400 1.00 45.35 O ATOM 0 H TYR A 90 7.594 11.406 -3.399 1.00 25.15 H new ATOM 0 HA TYR A 90 10.264 11.846 -2.250 1.00 12.24 H new ATOM 0 HB2 TYR A 90 8.456 13.514 -4.004 1.00 51.33 H new ATOM 0 HB3 TYR A 90 10.064 13.966 -3.475 1.00 51.33 H new ATOM 0 HD1 TYR A 90 8.192 11.482 -5.565 1.00 23.13 H new ATOM 0 HD2 TYR A 90 11.995 13.275 -4.662 1.00 21.15 H new ATOM 0 HE1 TYR A 90 9.152 10.449 -7.602 1.00 12.15 H new ATOM 0 HE2 TYR A 90 12.964 12.226 -6.685 1.00 1.21 H new ATOM 0 HH TYR A 90 12.596 10.937 -8.487 1.00 45.35 H new ATOM 1466 N GLY A 91 7.513 12.720 -0.816 1.00 32.44 N ATOM 1467 CA GLY A 91 6.857 13.390 0.291 1.00 64.11 C ATOM 1468 C GLY A 91 6.067 14.607 -0.174 1.00 43.23 C ATOM 1469 O GLY A 91 5.599 15.368 0.676 1.00 62.42 O ATOM 0 H GLY A 91 6.955 11.958 -1.201 1.00 32.44 H new ATOM 0 HA2 GLY A 91 6.187 12.692 0.793 1.00 64.11 H new ATOM 0 HA3 GLY A 91 7.603 13.699 1.023 1.00 64.11 H new ATOM 1473 N ASN A 92 5.959 14.855 -1.484 1.00 61.43 N ATOM 1474 CA ASN A 92 5.215 15.993 -1.998 1.00 54.22 C ATOM 1475 C ASN A 92 3.739 15.732 -1.759 1.00 11.43 C ATOM 1476 O ASN A 92 3.256 14.614 -1.960 1.00 14.42 O ATOM 1477 CB ASN A 92 5.394 16.194 -3.510 1.00 31.02 C ATOM 1478 CG ASN A 92 6.822 16.495 -3.923 1.00 41.23 C ATOM 1479 OD1 ASN A 92 7.396 17.508 -3.522 1.00 74.14 O ATOM 1480 ND2 ASN A 92 7.400 15.642 -4.750 1.00 2.42 N ATOM 0 H ASN A 92 6.384 14.273 -2.206 1.00 61.43 H new ATOM 0 HA ASN A 92 5.586 16.882 -1.487 1.00 54.22 H new ATOM 0 HB2 ASN A 92 5.057 15.296 -4.029 1.00 31.02 H new ATOM 0 HB3 ASN A 92 4.751 17.011 -3.837 1.00 31.02 H new ATOM 0 HD21 ASN A 92 8.351 15.813 -5.076 1.00 2.42 H new ATOM 0 HD22 ASN A 92 6.895 14.813 -5.062 1.00 2.42 H new ATOM 1487 N GLU A 93 3.016 16.771 -1.357 1.00 4.51 N ATOM 1488 CA GLU A 93 1.589 16.683 -1.118 1.00 75.23 C ATOM 1489 C GLU A 93 0.920 16.579 -2.488 1.00 13.13 C ATOM 1490 O GLU A 93 1.371 17.174 -3.475 1.00 53.45 O ATOM 1491 CB GLU A 93 1.103 17.897 -0.308 1.00 1.03 C ATOM 1492 CG GLU A 93 0.054 17.519 0.739 1.00 32.15 C ATOM 1493 CD GLU A 93 -0.082 18.626 1.789 1.00 74.52 C ATOM 1494 OE1 GLU A 93 -0.741 19.653 1.495 1.00 1.04 O ATOM 1495 OE2 GLU A 93 0.429 18.455 2.922 1.00 44.32 O ATOM 0 H GLU A 93 3.408 17.698 -1.189 1.00 4.51 H new ATOM 0 HA GLU A 93 1.331 15.809 -0.520 1.00 75.23 H new ATOM 0 HB2 GLU A 93 1.954 18.364 0.187 1.00 1.03 H new ATOM 0 HB3 GLU A 93 0.683 18.639 -0.987 1.00 1.03 H new ATOM 0 HG2 GLU A 93 -0.907 17.350 0.254 1.00 32.15 H new ATOM 0 HG3 GLU A 93 0.336 16.584 1.223 1.00 32.15 H new ATOM 1502 N VAL A 94 -0.141 15.794 -2.554 1.00 13.31 N ATOM 1503 CA VAL A 94 -0.958 15.512 -3.725 1.00 21.13 C ATOM 1504 C VAL A 94 -2.420 15.808 -3.342 1.00 61.02 C ATOM 1505 O VAL A 94 -2.679 16.209 -2.201 1.00 43.44 O ATOM 1506 CB VAL A 94 -0.554 14.214 -4.471 1.00 5.15 C ATOM 1507 CG1 VAL A 94 0.943 13.867 -4.320 1.00 3.11 C ATOM 1508 CG2 VAL A 94 -1.327 12.966 -4.081 1.00 32.55 C ATOM 0 H VAL A 94 -0.481 15.299 -1.729 1.00 13.31 H new ATOM 0 HA VAL A 94 -0.770 16.177 -4.568 1.00 21.13 H new ATOM 0 HB VAL A 94 -0.801 14.472 -5.501 1.00 5.15 H new ATOM 0 HG11 VAL A 94 1.160 12.948 -4.865 1.00 3.11 H new ATOM 0 HG12 VAL A 94 1.547 14.680 -4.723 1.00 3.11 H new ATOM 0 HG13 VAL A 94 1.180 13.727 -3.265 1.00 3.11 H new ATOM 0 HG21 VAL A 94 -0.965 12.118 -4.662 1.00 32.55 H new ATOM 0 HG22 VAL A 94 -1.184 12.766 -3.019 1.00 32.55 H new ATOM 0 HG23 VAL A 94 -2.388 13.117 -4.282 1.00 32.55 H new ATOM 1518 N ASP A 95 -3.398 15.619 -4.234 1.00 52.11 N ATOM 1519 CA ASP A 95 -4.775 15.988 -3.890 1.00 75.33 C ATOM 1520 C ASP A 95 -5.395 14.937 -2.961 1.00 44.52 C ATOM 1521 O ASP A 95 -4.745 13.973 -2.534 1.00 30.22 O ATOM 1522 CB ASP A 95 -5.689 16.118 -5.127 1.00 74.20 C ATOM 1523 CG ASP A 95 -5.031 16.603 -6.409 1.00 72.30 C ATOM 1524 OD1 ASP A 95 -4.901 17.826 -6.608 1.00 74.10 O ATOM 1525 OD2 ASP A 95 -4.692 15.734 -7.247 1.00 64.31 O ATOM 0 H ASP A 95 -3.271 15.227 -5.167 1.00 52.11 H new ATOM 0 HA ASP A 95 -4.710 16.959 -3.400 1.00 75.33 H new ATOM 0 HB2 ASP A 95 -6.140 15.145 -5.322 1.00 74.20 H new ATOM 0 HB3 ASP A 95 -6.501 16.802 -4.881 1.00 74.20 H new ATOM 1530 N VAL A 96 -6.685 15.089 -2.671 1.00 0.13 N ATOM 1531 CA VAL A 96 -7.393 14.243 -1.728 1.00 43.41 C ATOM 1532 C VAL A 96 -8.423 13.329 -2.375 1.00 51.01 C ATOM 1533 O VAL A 96 -8.849 13.539 -3.513 1.00 22.34 O ATOM 1534 CB VAL A 96 -8.112 15.193 -0.736 1.00 43.12 C ATOM 1535 CG1 VAL A 96 -7.300 16.417 -0.287 1.00 51.23 C ATOM 1536 CG2 VAL A 96 -9.410 15.789 -1.301 1.00 25.32 C ATOM 0 H VAL A 96 -7.269 15.812 -3.091 1.00 0.13 H new ATOM 0 HA VAL A 96 -6.670 13.584 -1.246 1.00 43.41 H new ATOM 0 HB VAL A 96 -8.285 14.521 0.104 1.00 43.12 H new ATOM 0 HG11 VAL A 96 -7.894 17.014 0.404 1.00 51.23 H new ATOM 0 HG12 VAL A 96 -6.388 16.086 0.210 1.00 51.23 H new ATOM 0 HG13 VAL A 96 -7.040 17.020 -1.157 1.00 51.23 H new ATOM 0 HG21 VAL A 96 -9.863 16.444 -0.557 1.00 25.32 H new ATOM 0 HG22 VAL A 96 -9.186 16.362 -2.201 1.00 25.32 H new ATOM 0 HG23 VAL A 96 -10.103 14.984 -1.546 1.00 25.32 H new ATOM 1546 N VAL A 97 -8.792 12.292 -1.628 1.00 4.52 N ATOM 1547 CA VAL A 97 -9.778 11.300 -2.035 1.00 33.54 C ATOM 1548 C VAL A 97 -11.164 11.930 -1.840 1.00 30.34 C ATOM 1549 O VAL A 97 -11.400 12.556 -0.802 1.00 33.20 O ATOM 1550 CB VAL A 97 -9.594 10.012 -1.199 1.00 63.34 C ATOM 1551 CG1 VAL A 97 -10.545 8.893 -1.647 1.00 55.15 C ATOM 1552 CG2 VAL A 97 -8.151 9.489 -1.323 1.00 32.34 C ATOM 0 H VAL A 97 -8.404 12.116 -0.702 1.00 4.52 H new ATOM 0 HA VAL A 97 -9.660 11.015 -3.080 1.00 33.54 H new ATOM 0 HB VAL A 97 -9.819 10.279 -0.166 1.00 63.34 H new ATOM 0 HG11 VAL A 97 -10.381 8.008 -1.032 1.00 55.15 H new ATOM 0 HG12 VAL A 97 -11.577 9.226 -1.535 1.00 55.15 H new ATOM 0 HG13 VAL A 97 -10.354 8.650 -2.692 1.00 55.15 H new ATOM 0 HG21 VAL A 97 -8.040 8.582 -0.728 1.00 32.34 H new ATOM 0 HG22 VAL A 97 -7.933 9.267 -2.368 1.00 32.34 H new ATOM 0 HG23 VAL A 97 -7.457 10.247 -0.961 1.00 32.34 H new ATOM 1562 N THR A 98 -12.045 11.765 -2.829 1.00 5.13 N ATOM 1563 CA THR A 98 -13.412 12.280 -2.827 1.00 74.45 C ATOM 1564 C THR A 98 -14.278 11.549 -1.795 1.00 60.24 C ATOM 1565 O THR A 98 -13.971 10.408 -1.439 1.00 21.45 O ATOM 1566 CB THR A 98 -14.048 12.133 -4.227 1.00 33.22 C ATOM 1567 OG1 THR A 98 -13.716 10.904 -4.850 1.00 60.24 O ATOM 1568 CG2 THR A 98 -13.657 13.270 -5.162 1.00 42.33 C ATOM 0 H THR A 98 -11.817 11.252 -3.681 1.00 5.13 H new ATOM 0 HA THR A 98 -13.365 13.336 -2.559 1.00 74.45 H new ATOM 0 HB THR A 98 -15.123 12.163 -4.052 1.00 33.22 H new ATOM 0 HG1 THR A 98 -14.143 10.858 -5.731 1.00 60.24 H new ATOM 0 HG21 THR A 98 -14.129 13.121 -6.133 1.00 42.33 H new ATOM 0 HG22 THR A 98 -13.988 14.219 -4.739 1.00 42.33 H new ATOM 0 HG23 THR A 98 -12.574 13.285 -5.284 1.00 42.33 H new ATOM 1576 N PRO A 99 -15.410 12.131 -1.356 1.00 44.34 N ATOM 1577 CA PRO A 99 -16.288 11.495 -0.386 1.00 41.32 C ATOM 1578 C PRO A 99 -16.901 10.209 -0.946 1.00 74.10 C ATOM 1579 O PRO A 99 -17.162 9.283 -0.182 1.00 14.15 O ATOM 1580 CB PRO A 99 -17.321 12.562 -0.002 1.00 14.04 C ATOM 1581 CG PRO A 99 -17.348 13.502 -1.199 1.00 72.54 C ATOM 1582 CD PRO A 99 -15.902 13.462 -1.682 1.00 62.33 C ATOM 0 HA PRO A 99 -15.753 11.162 0.504 1.00 41.32 H new ATOM 0 HB2 PRO A 99 -18.301 12.121 0.180 1.00 14.04 H new ATOM 0 HB3 PRO A 99 -17.033 13.086 0.909 1.00 14.04 H new ATOM 0 HG2 PRO A 99 -18.042 13.161 -1.967 1.00 72.54 H new ATOM 0 HG3 PRO A 99 -17.654 14.509 -0.917 1.00 72.54 H new ATOM 0 HD2 PRO A 99 -15.843 13.649 -2.754 1.00 62.33 H new ATOM 0 HD3 PRO A 99 -15.305 14.230 -1.191 1.00 62.33 H new ATOM 1590 N GLU A 100 -17.172 10.113 -2.253 1.00 33.12 N ATOM 1591 CA GLU A 100 -17.740 8.890 -2.824 1.00 60.21 C ATOM 1592 C GLU A 100 -16.711 7.767 -2.674 1.00 63.42 C ATOM 1593 O GLU A 100 -17.017 6.688 -2.167 1.00 43.22 O ATOM 1594 CB GLU A 100 -18.075 9.070 -4.306 1.00 32.05 C ATOM 1595 CG GLU A 100 -19.327 9.905 -4.575 1.00 41.41 C ATOM 1596 CD GLU A 100 -19.463 10.120 -6.084 1.00 24.32 C ATOM 1597 OE1 GLU A 100 -19.248 11.275 -6.529 1.00 74.15 O ATOM 1598 OE2 GLU A 100 -19.657 9.119 -6.816 1.00 0.41 O ATOM 0 H GLU A 100 -17.009 10.860 -2.928 1.00 33.12 H new ATOM 0 HA GLU A 100 -18.663 8.650 -2.297 1.00 60.21 H new ATOM 0 HB2 GLU A 100 -17.226 9.540 -4.803 1.00 32.05 H new ATOM 0 HB3 GLU A 100 -18.205 8.087 -4.758 1.00 32.05 H new ATOM 0 HG2 GLU A 100 -20.210 9.398 -4.185 1.00 41.41 H new ATOM 0 HG3 GLU A 100 -19.258 10.864 -4.062 1.00 41.41 H new ATOM 1605 N GLN A 101 -15.472 8.018 -3.107 1.00 71.41 N ATOM 1606 CA GLN A 101 -14.411 7.031 -3.010 1.00 72.31 C ATOM 1607 C GLN A 101 -14.102 6.719 -1.545 1.00 25.11 C ATOM 1608 O GLN A 101 -13.782 5.568 -1.231 1.00 42.42 O ATOM 1609 CB GLN A 101 -13.154 7.552 -3.726 1.00 13.41 C ATOM 1610 CG GLN A 101 -13.269 7.521 -5.261 1.00 25.13 C ATOM 1611 CD GLN A 101 -11.920 7.771 -5.944 1.00 65.41 C ATOM 1612 OE1 GLN A 101 -10.886 7.250 -5.521 1.00 43.01 O ATOM 1613 NE2 GLN A 101 -11.876 8.559 -7.007 1.00 13.35 N ATOM 0 H GLN A 101 -15.186 8.902 -3.528 1.00 71.41 H new ATOM 0 HA GLN A 101 -14.738 6.109 -3.491 1.00 72.31 H new ATOM 0 HB2 GLN A 101 -12.959 8.575 -3.404 1.00 13.41 H new ATOM 0 HB3 GLN A 101 -12.296 6.953 -3.421 1.00 13.41 H new ATOM 0 HG2 GLN A 101 -13.661 6.554 -5.576 1.00 25.13 H new ATOM 0 HG3 GLN A 101 -13.985 8.276 -5.586 1.00 25.13 H new ATOM 0 HE21 GLN A 101 -12.731 8.991 -7.358 1.00 13.35 H new ATOM 0 HE22 GLN A 101 -10.987 8.735 -7.475 1.00 13.35 H new ATOM 1622 N ALA A 102 -14.194 7.707 -0.650 1.00 23.11 N ATOM 1623 CA ALA A 102 -13.922 7.504 0.759 1.00 41.55 C ATOM 1624 C ALA A 102 -14.947 6.542 1.361 1.00 24.13 C ATOM 1625 O ALA A 102 -14.517 5.550 1.961 1.00 42.23 O ATOM 1626 CB ALA A 102 -13.886 8.842 1.506 1.00 41.40 C ATOM 0 H ALA A 102 -14.459 8.663 -0.889 1.00 23.11 H new ATOM 0 HA ALA A 102 -12.937 7.051 0.867 1.00 41.55 H new ATOM 0 HB1 ALA A 102 -13.680 8.664 2.562 1.00 41.40 H new ATOM 0 HB2 ALA A 102 -13.103 9.473 1.085 1.00 41.40 H new ATOM 0 HB3 ALA A 102 -14.849 9.342 1.403 1.00 41.40 H new ATOM 1632 N LYS A 103 -16.257 6.756 1.148 1.00 40.32 N ATOM 1633 CA LYS A 103 -17.294 5.876 1.702 1.00 5.24 C ATOM 1634 C LYS A 103 -17.203 4.466 1.112 1.00 54.35 C ATOM 1635 O LYS A 103 -17.356 3.498 1.852 1.00 42.31 O ATOM 1636 CB LYS A 103 -18.713 6.488 1.576 1.00 51.21 C ATOM 1637 CG LYS A 103 -19.315 6.459 0.157 1.00 32.42 C ATOM 1638 CD LYS A 103 -20.773 6.907 -0.004 1.00 32.13 C ATOM 1639 CE LYS A 103 -21.796 5.996 0.674 1.00 61.15 C ATOM 1640 NZ LYS A 103 -23.151 6.181 0.118 1.00 63.10 N ATOM 0 H LYS A 103 -16.620 7.532 0.595 1.00 40.32 H new ATOM 0 HA LYS A 103 -17.104 5.783 2.771 1.00 5.24 H new ATOM 0 HB2 LYS A 103 -19.383 5.953 2.249 1.00 51.21 H new ATOM 0 HB3 LYS A 103 -18.677 7.523 1.917 1.00 51.21 H new ATOM 0 HG2 LYS A 103 -18.697 7.089 -0.483 1.00 32.42 H new ATOM 0 HG3 LYS A 103 -19.232 5.441 -0.222 1.00 32.42 H new ATOM 0 HD2 LYS A 103 -20.877 7.913 0.401 1.00 32.13 H new ATOM 0 HD3 LYS A 103 -21.006 6.966 -1.067 1.00 32.13 H new ATOM 0 HE2 LYS A 103 -21.493 4.956 0.553 1.00 61.15 H new ATOM 0 HE3 LYS A 103 -21.812 6.201 1.744 1.00 61.15 H new ATOM 0 HZ1 LYS A 103 -23.815 5.546 0.604 1.00 63.10 H new ATOM 0 HZ2 LYS A 103 -23.451 7.167 0.256 1.00 63.10 H new ATOM 0 HZ3 LYS A 103 -23.142 5.961 -0.898 1.00 63.10 H new ATOM 1654 N TYR A 104 -16.933 4.329 -0.190 1.00 24.12 N ATOM 1655 CA TYR A 104 -16.807 3.084 -0.940 1.00 2.12 C ATOM 1656 C TYR A 104 -15.788 2.167 -0.307 1.00 31.40 C ATOM 1657 O TYR A 104 -15.986 0.963 -0.367 1.00 44.13 O ATOM 1658 CB TYR A 104 -16.497 3.395 -2.413 1.00 35.11 C ATOM 1659 CG TYR A 104 -17.706 3.453 -3.344 1.00 61.22 C ATOM 1660 CD1 TYR A 104 -17.803 4.472 -4.313 1.00 60.52 C ATOM 1661 CD2 TYR A 104 -18.709 2.458 -3.302 1.00 33.04 C ATOM 1662 CE1 TYR A 104 -18.867 4.485 -5.236 1.00 14.34 C ATOM 1663 CE2 TYR A 104 -19.768 2.460 -4.223 1.00 52.42 C ATOM 1664 CZ TYR A 104 -19.836 3.459 -5.216 1.00 74.43 C ATOM 1665 OH TYR A 104 -20.798 3.390 -6.176 1.00 43.42 O ATOM 0 H TYR A 104 -16.787 5.144 -0.785 1.00 24.12 H new ATOM 0 HA TYR A 104 -17.755 2.546 -0.910 1.00 2.12 H new ATOM 0 HB2 TYR A 104 -15.977 4.352 -2.462 1.00 35.11 H new ATOM 0 HB3 TYR A 104 -15.808 2.638 -2.788 1.00 35.11 H new ATOM 0 HD1 TYR A 104 -17.055 5.250 -4.348 1.00 60.52 H new ATOM 0 HD2 TYR A 104 -18.660 1.685 -2.550 1.00 33.04 H new ATOM 0 HE1 TYR A 104 -18.941 5.282 -5.961 1.00 14.34 H new ATOM 0 HE2 TYR A 104 -20.530 1.697 -4.171 1.00 52.42 H new ATOM 0 HH TYR A 104 -21.378 2.619 -6.004 1.00 43.42 H new ATOM 1675 N ALA A 105 -14.758 2.676 0.365 1.00 41.52 N ATOM 1676 CA ALA A 105 -13.763 1.831 1.004 1.00 61.35 C ATOM 1677 C ALA A 105 -14.393 0.831 1.984 1.00 31.51 C ATOM 1678 O ALA A 105 -13.875 -0.270 2.171 1.00 32.23 O ATOM 1679 CB ALA A 105 -12.784 2.736 1.734 1.00 51.13 C ATOM 0 H ALA A 105 -14.594 3.676 0.479 1.00 41.52 H new ATOM 0 HA ALA A 105 -13.256 1.240 0.241 1.00 61.35 H new ATOM 0 HB1 ALA A 105 -12.023 2.129 2.225 1.00 51.13 H new ATOM 0 HB2 ALA A 105 -12.307 3.407 1.020 1.00 51.13 H new ATOM 0 HB3 ALA A 105 -13.318 3.322 2.482 1.00 51.13 H new ATOM 1685 N TYR A 106 -15.529 1.191 2.588 1.00 13.35 N ATOM 1686 CA TYR A 106 -16.223 0.335 3.534 1.00 23.01 C ATOM 1687 C TYR A 106 -16.674 -1.001 2.929 1.00 13.01 C ATOM 1688 O TYR A 106 -16.764 -1.999 3.652 1.00 62.24 O ATOM 1689 CB TYR A 106 -17.412 1.102 4.144 1.00 50.33 C ATOM 1690 CG TYR A 106 -18.773 0.809 3.515 1.00 14.20 C ATOM 1691 CD1 TYR A 106 -18.999 0.942 2.123 1.00 3.32 C ATOM 1692 CD2 TYR A 106 -19.805 0.322 4.341 1.00 54.10 C ATOM 1693 CE1 TYR A 106 -20.221 0.518 1.567 1.00 41.14 C ATOM 1694 CE2 TYR A 106 -21.041 -0.057 3.795 1.00 1.13 C ATOM 1695 CZ TYR A 106 -21.249 0.025 2.401 1.00 73.01 C ATOM 1696 OH TYR A 106 -22.453 -0.340 1.874 1.00 43.42 O ATOM 0 H TYR A 106 -15.988 2.088 2.429 1.00 13.35 H new ATOM 0 HA TYR A 106 -15.513 0.074 4.319 1.00 23.01 H new ATOM 0 HB2 TYR A 106 -17.465 0.870 5.208 1.00 50.33 H new ATOM 0 HB3 TYR A 106 -17.215 2.171 4.060 1.00 50.33 H new ATOM 0 HD1 TYR A 106 -18.235 1.368 1.489 1.00 3.32 H new ATOM 0 HD2 TYR A 106 -19.643 0.239 5.406 1.00 54.10 H new ATOM 0 HE1 TYR A 106 -20.373 0.570 0.499 1.00 41.14 H new ATOM 0 HE2 TYR A 106 -21.832 -0.411 4.440 1.00 1.13 H new ATOM 0 HH TYR A 106 -23.041 -0.657 2.591 1.00 43.42 H new ATOM 1706 N GLN A 107 -16.923 -1.020 1.614 1.00 20.30 N ATOM 1707 CA GLN A 107 -17.379 -2.172 0.856 1.00 4.22 C ATOM 1708 C GLN A 107 -16.272 -3.214 0.876 1.00 62.03 C ATOM 1709 O GLN A 107 -16.468 -4.373 1.216 1.00 51.00 O ATOM 1710 CB GLN A 107 -17.830 -1.713 -0.547 1.00 42.12 C ATOM 1711 CG GLN A 107 -16.772 -1.591 -1.652 1.00 20.15 C ATOM 1712 CD GLN A 107 -17.248 -0.856 -2.898 1.00 5.23 C ATOM 1713 OE1 GLN A 107 -16.556 0.201 -3.291 1.00 74.21 O flip ATOM 1714 NE2 GLN A 107 -18.201 -1.242 -3.562 1.00 75.31 N flip ATOM 0 H GLN A 107 -16.804 -0.191 1.031 1.00 20.30 H new ATOM 0 HA GLN A 107 -18.257 -2.646 1.294 1.00 4.22 H new ATOM 0 HB2 GLN A 107 -18.593 -2.409 -0.894 1.00 42.12 H new ATOM 0 HB3 GLN A 107 -18.311 -0.741 -0.439 1.00 42.12 H new ATOM 0 HG2 GLN A 107 -15.901 -1.073 -1.249 1.00 20.15 H new ATOM 0 HG3 GLN A 107 -16.445 -2.591 -1.937 1.00 20.15 H new ATOM 0 HE21 GLN A 107 -18.736 -2.057 -3.261 1.00 75.31 H new ATOM 0 HE22 GLN A 107 -18.460 -0.749 -4.416 1.00 75.31 H new ATOM 1723 N ARG A 108 -15.062 -2.760 0.581 1.00 75.14 N ATOM 1724 CA ARG A 108 -13.872 -3.602 0.557 1.00 42.12 C ATOM 1725 C ARG A 108 -13.613 -4.193 1.937 1.00 42.32 C ATOM 1726 O ARG A 108 -13.217 -5.351 2.016 1.00 31.22 O ATOM 1727 CB ARG A 108 -12.653 -2.817 0.058 1.00 74.40 C ATOM 1728 CG ARG A 108 -12.899 -2.073 -1.258 1.00 12.14 C ATOM 1729 CD ARG A 108 -13.202 -3.030 -2.428 1.00 22.53 C ATOM 1730 NE ARG A 108 -13.406 -2.340 -3.714 1.00 62.05 N ATOM 1731 CZ ARG A 108 -12.472 -1.751 -4.477 1.00 1.32 C ATOM 1732 NH1 ARG A 108 -11.199 -1.678 -4.110 1.00 70.51 N ATOM 1733 NH2 ARG A 108 -12.814 -1.225 -5.643 1.00 23.11 N ATOM 0 H ARG A 108 -14.876 -1.784 0.349 1.00 75.14 H new ATOM 0 HA ARG A 108 -14.046 -4.422 -0.140 1.00 42.12 H new ATOM 0 HB2 ARG A 108 -12.357 -2.098 0.822 1.00 74.40 H new ATOM 0 HB3 ARG A 108 -11.818 -3.505 -0.074 1.00 74.40 H new ATOM 0 HG2 ARG A 108 -13.733 -1.383 -1.131 1.00 12.14 H new ATOM 0 HG3 ARG A 108 -12.023 -1.472 -1.502 1.00 12.14 H new ATOM 0 HD2 ARG A 108 -12.379 -3.737 -2.531 1.00 22.53 H new ATOM 0 HD3 ARG A 108 -14.094 -3.610 -2.191 1.00 22.53 H new ATOM 0 HE ARG A 108 -14.364 -2.306 -4.063 1.00 62.05 H new ATOM 0 HH11 ARG A 108 -10.901 -2.078 -3.220 1.00 70.51 H new ATOM 0 HH12 ARG A 108 -10.518 -1.222 -4.718 1.00 70.51 H new ATOM 0 HH21 ARG A 108 -13.783 -1.269 -5.957 1.00 23.11 H new ATOM 0 HH22 ARG A 108 -12.108 -0.776 -6.227 1.00 23.11 H new ATOM 1747 N TYR A 109 -13.864 -3.440 3.014 1.00 4.52 N ATOM 1748 CA TYR A 109 -13.647 -3.939 4.367 1.00 31.22 C ATOM 1749 C TYR A 109 -14.561 -5.133 4.619 1.00 50.32 C ATOM 1750 O TYR A 109 -14.077 -6.210 4.964 1.00 25.33 O ATOM 1751 CB TYR A 109 -13.922 -2.820 5.383 1.00 42.34 C ATOM 1752 CG TYR A 109 -13.598 -3.151 6.833 1.00 62.41 C ATOM 1753 CD1 TYR A 109 -14.368 -4.088 7.559 1.00 2.24 C ATOM 1754 CD2 TYR A 109 -12.534 -2.490 7.474 1.00 73.14 C ATOM 1755 CE1 TYR A 109 -14.048 -4.392 8.895 1.00 1.53 C ATOM 1756 CE2 TYR A 109 -12.228 -2.779 8.812 1.00 3.53 C ATOM 1757 CZ TYR A 109 -12.965 -3.742 9.526 1.00 74.31 C ATOM 1758 OH TYR A 109 -12.614 -4.033 10.803 1.00 71.51 O ATOM 0 H TYR A 109 -14.217 -2.484 2.970 1.00 4.52 H new ATOM 0 HA TYR A 109 -12.611 -4.260 4.480 1.00 31.22 H new ATOM 0 HB2 TYR A 109 -13.346 -1.941 5.093 1.00 42.34 H new ATOM 0 HB3 TYR A 109 -14.975 -2.547 5.319 1.00 42.34 H new ATOM 0 HD1 TYR A 109 -15.208 -4.574 7.085 1.00 2.24 H new ATOM 0 HD2 TYR A 109 -11.951 -1.758 6.934 1.00 73.14 H new ATOM 0 HE1 TYR A 109 -14.630 -5.122 9.437 1.00 1.53 H new ATOM 0 HE2 TYR A 109 -11.418 -2.257 9.300 1.00 3.53 H new ATOM 0 HH TYR A 109 -11.844 -3.485 11.064 1.00 71.51 H new ATOM 1768 N GLN A 110 -15.871 -4.962 4.405 1.00 14.23 N ATOM 1769 CA GLN A 110 -16.841 -6.029 4.623 1.00 4.13 C ATOM 1770 C GLN A 110 -16.600 -7.196 3.667 1.00 22.34 C ATOM 1771 O GLN A 110 -16.847 -8.331 4.044 1.00 25.12 O ATOM 1772 CB GLN A 110 -18.290 -5.515 4.599 1.00 74.32 C ATOM 1773 CG GLN A 110 -18.703 -4.903 3.257 1.00 12.22 C ATOM 1774 CD GLN A 110 -20.093 -4.279 3.176 1.00 31.21 C ATOM 1775 OE1 GLN A 110 -20.442 -3.748 2.125 1.00 34.03 O ATOM 1776 NE2 GLN A 110 -20.915 -4.308 4.211 1.00 54.22 N ATOM 0 H GLN A 110 -16.281 -4.087 4.079 1.00 14.23 H new ATOM 0 HA GLN A 110 -16.689 -6.414 5.631 1.00 4.13 H new ATOM 0 HB2 GLN A 110 -18.963 -6.340 4.835 1.00 74.32 H new ATOM 0 HB3 GLN A 110 -18.414 -4.768 5.383 1.00 74.32 H new ATOM 0 HG2 GLN A 110 -17.973 -4.137 2.995 1.00 12.22 H new ATOM 0 HG3 GLN A 110 -18.636 -5.680 2.496 1.00 12.22 H new ATOM 0 HE21 GLN A 110 -20.622 -4.750 5.083 1.00 54.22 H new ATOM 0 HE22 GLN A 110 -21.842 -3.889 4.138 1.00 54.22 H new ATOM 1785 N GLU A 111 -16.078 -6.957 2.462 1.00 43.13 N ATOM 1786 CA GLU A 111 -15.825 -8.046 1.517 1.00 54.32 C ATOM 1787 C GLU A 111 -14.874 -9.088 2.109 1.00 52.10 C ATOM 1788 O GLU A 111 -15.019 -10.273 1.813 1.00 63.22 O ATOM 1789 CB GLU A 111 -15.236 -7.512 0.204 1.00 52.43 C ATOM 1790 CG GLU A 111 -16.255 -6.810 -0.699 1.00 13.11 C ATOM 1791 CD GLU A 111 -16.957 -7.735 -1.687 1.00 4.50 C ATOM 1792 OE1 GLU A 111 -16.267 -8.336 -2.548 1.00 62.31 O ATOM 1793 OE2 GLU A 111 -18.208 -7.763 -1.674 1.00 44.41 O ATOM 0 H GLU A 111 -15.825 -6.030 2.120 1.00 43.13 H new ATOM 0 HA GLU A 111 -16.785 -8.520 1.313 1.00 54.32 H new ATOM 0 HB2 GLU A 111 -14.431 -6.814 0.436 1.00 52.43 H new ATOM 0 HB3 GLU A 111 -14.790 -8.341 -0.345 1.00 52.43 H new ATOM 0 HG2 GLU A 111 -17.006 -6.328 -0.074 1.00 13.11 H new ATOM 0 HG3 GLU A 111 -15.748 -6.021 -1.255 1.00 13.11 H new ATOM 1800 N ARG A 112 -13.888 -8.675 2.918 1.00 3.11 N ATOM 1801 CA ARG A 112 -12.933 -9.606 3.514 1.00 35.02 C ATOM 1802 C ARG A 112 -13.142 -9.905 4.976 1.00 45.43 C ATOM 1803 O ARG A 112 -13.180 -11.068 5.368 1.00 4.42 O ATOM 1804 CB ARG A 112 -11.510 -9.175 3.246 1.00 12.31 C ATOM 1805 CG ARG A 112 -11.114 -7.703 3.399 1.00 61.12 C ATOM 1806 CD ARG A 112 -10.046 -7.327 2.358 1.00 34.41 C ATOM 1807 NE ARG A 112 -8.663 -7.584 2.808 1.00 54.41 N ATOM 1808 CZ ARG A 112 -7.950 -8.713 2.680 1.00 42.54 C ATOM 1809 NH1 ARG A 112 -8.415 -9.776 2.039 1.00 53.34 N ATOM 1810 NH2 ARG A 112 -6.738 -8.782 3.207 1.00 15.23 N ATOM 0 H ARG A 112 -13.735 -7.699 3.172 1.00 3.11 H new ATOM 0 HA ARG A 112 -13.128 -10.553 3.011 1.00 35.02 H new ATOM 0 HB2 ARG A 112 -10.866 -9.754 3.907 1.00 12.31 H new ATOM 0 HB3 ARG A 112 -11.268 -9.471 2.225 1.00 12.31 H new ATOM 0 HG2 ARG A 112 -11.992 -7.068 3.275 1.00 61.12 H new ATOM 0 HG3 ARG A 112 -10.731 -7.525 4.404 1.00 61.12 H new ATOM 0 HD2 ARG A 112 -10.231 -7.888 1.442 1.00 34.41 H new ATOM 0 HD3 ARG A 112 -10.148 -6.270 2.111 1.00 34.41 H new ATOM 0 HE ARG A 112 -8.192 -6.808 3.273 1.00 54.41 H new ATOM 0 HH11 ARG A 112 -9.346 -9.753 1.622 1.00 53.34 H new ATOM 0 HH12 ARG A 112 -7.842 -10.617 1.963 1.00 53.34 H new ATOM 0 HH21 ARG A 112 -6.353 -7.980 3.706 1.00 15.23 H new ATOM 0 HH22 ARG A 112 -6.189 -9.637 3.114 1.00 15.23 H new ATOM 1824 N TYR A 113 -13.301 -8.847 5.750 1.00 51.43 N ATOM 1825 CA TYR A 113 -13.488 -8.891 7.194 1.00 14.04 C ATOM 1826 C TYR A 113 -14.963 -8.957 7.585 1.00 12.24 C ATOM 1827 O TYR A 113 -15.284 -8.961 8.776 1.00 61.53 O ATOM 1828 CB TYR A 113 -12.795 -7.660 7.803 1.00 32.23 C ATOM 1829 CG TYR A 113 -11.335 -7.527 7.406 1.00 25.22 C ATOM 1830 CD1 TYR A 113 -10.843 -6.361 6.780 1.00 32.23 C ATOM 1831 CD2 TYR A 113 -10.475 -8.620 7.617 1.00 14.51 C ATOM 1832 CE1 TYR A 113 -9.494 -6.288 6.368 1.00 55.33 C ATOM 1833 CE2 TYR A 113 -9.128 -8.544 7.242 1.00 34.22 C ATOM 1834 CZ TYR A 113 -8.627 -7.374 6.638 1.00 64.01 C ATOM 1835 OH TYR A 113 -7.304 -7.309 6.329 1.00 54.42 O ATOM 0 H TYR A 113 -13.304 -7.897 5.379 1.00 51.43 H new ATOM 0 HA TYR A 113 -13.040 -9.803 7.587 1.00 14.04 H new ATOM 0 HB2 TYR A 113 -13.330 -6.762 7.494 1.00 32.23 H new ATOM 0 HB3 TYR A 113 -12.864 -7.715 8.889 1.00 32.23 H new ATOM 0 HD1 TYR A 113 -11.501 -5.521 6.615 1.00 32.23 H new ATOM 0 HD2 TYR A 113 -10.856 -9.523 8.071 1.00 14.51 H new ATOM 0 HE1 TYR A 113 -9.128 -5.413 5.852 1.00 55.33 H new ATOM 0 HE2 TYR A 113 -8.472 -9.384 7.416 1.00 34.22 H new ATOM 0 HH TYR A 113 -6.866 -8.147 6.588 1.00 54.42 H new ATOM 1845 N GLY A 114 -15.862 -9.053 6.606 1.00 4.32 N ATOM 1846 CA GLY A 114 -17.313 -9.112 6.839 1.00 41.45 C ATOM 1847 C GLY A 114 -18.020 -10.248 6.104 1.00 11.22 C ATOM 1848 O GLY A 114 -19.256 -10.270 6.057 1.00 61.54 O ATOM 0 H GLY A 114 -15.606 -9.093 5.619 1.00 4.32 H new ATOM 0 HA2 GLY A 114 -17.494 -9.219 7.909 1.00 41.45 H new ATOM 0 HA3 GLY A 114 -17.757 -8.165 6.534 1.00 41.45 H new