USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 77 ASN : amide:sc= -8.29! K(o=-20!,f=-3.1) USER MOD Set 1.2: C 80 ASN : amide:sc= -11.8! C(o=-20!,f=-8.7!) USER MOD Set 2.1: C 71 THR OG1 : rot -123:sc= 0.869 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.996 K(o=1.9,f=1.3) USER MOD Set 3.1: C 62 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0) USER MOD Set 3.2: C 65 THR OG1 : rot 100:sc= 1.05 USER MOD Set 4.1: C 35 GLN : amide:sc= 0 X(o=-4.8,f=-4.7) USER MOD Set 4.2: C 83 ASN : amide:sc= -4.82! C(o=-4.8!,f=-3.8!) USER MOD Set 5.1: C 26 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.215) USER MOD Set 5.2: C 42 ASN : amide:sc= -0.645 K(o=0.59,f=-2.9!) USER MOD Set 6.1: C 21 ASN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Set 6.2: C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 9 GLN : amide:sc= -3.04! C(o=-3!,f=-5.8!) USER MOD Single : C 10 MET CE :methyl -120:sc= -0.344 (180deg=-1.79!) USER MOD Single : C 11 ASN : amide:sc= 0 X(o=0,f=-0.00062) USER MOD Single : C 12 SER OG : rot 160:sc= 0 USER MOD Single : C 14 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : C 15 SER OG : rot 74:sc= 0.557 USER MOD Single : C 17 ASN : amide:sc= -2.07 K(o=-2.1,f=-4!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 157:sc= -1.96 (180deg=-2.95!) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 178:sc= -3.35! (180deg=-3.44!) USER MOD Single : C 32 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5!) USER MOD Single : C 34 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.55) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.248 USER MOD Single : C 40 SER OG : rot 45:sc= -1.87! USER MOD Single : C 41 SER OG : rot 180:sc= 0.246 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 140:sc= 0.172 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -146:sc= 1.15 (180deg=0.694) USER MOD Single : C 53 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.44) USER MOD Single : C 59 ASN : amide:sc= -0.0662 K(o=-0.066,f=-6.3!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0.151 K(o=0.15,f=-14!) USER MOD Single : C 69 LYS NZ :NH3+ 142:sc= 1.24 (180deg=1.19) USER MOD Single : C 70 SER OG : rot 180:sc= -0.077 USER MOD Single : C 76 SER OG : rot -80:sc= 0.778 USER MOD Single : C 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0039) USER MOD Single : C 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00371) USER MOD Single : C 88 TYR OH : rot -144:sc= 1.25 USER MOD Single : C 92 LYS NZ :NH3+ 180:sc=-0.00617 (180deg=-0.00617) USER MOD Single : C 93 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -12.242 -3.620 0.532 1.00 0.00 N ATOM 126 CA GLN C 9 -11.014 -3.878 1.309 1.00 0.00 C ATOM 127 C GLN C 9 -10.749 -5.378 1.512 1.00 0.00 C ATOM 128 O GLN C 9 -10.000 -5.755 2.412 1.00 0.00 O ATOM 129 CB GLN C 9 -11.064 -3.218 2.698 1.00 0.00 C ATOM 130 CG GLN C 9 -11.336 -1.721 2.698 1.00 0.00 C ATOM 131 CD GLN C 9 -12.789 -1.390 2.438 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.109 -0.340 1.892 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.684 -2.279 2.847 1.00 0.00 N ATOM 0 HA GLN C 9 -10.208 -3.444 0.717 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.836 -3.711 3.288 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.114 -3.398 3.202 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.039 -1.302 3.660 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.718 -1.244 1.938 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.377 -3.141 3.297 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.679 -2.101 2.711 1.00 0.00 H new ATOM 142 N MET C 10 -11.376 -6.228 0.707 1.00 0.00 N ATOM 143 CA MET C 10 -11.264 -7.680 0.879 1.00 0.00 C ATOM 144 C MET C 10 -9.924 -8.213 0.354 1.00 0.00 C ATOM 145 O MET C 10 -8.907 -7.521 0.422 1.00 0.00 O ATOM 146 CB MET C 10 -12.428 -8.382 0.172 1.00 0.00 C ATOM 147 CG MET C 10 -13.802 -8.065 0.747 1.00 0.00 C ATOM 148 SD MET C 10 -14.024 -8.645 2.445 1.00 0.00 S ATOM 149 CE MET C 10 -13.473 -7.227 3.397 1.00 0.00 C ATOM 0 H MET C 10 -11.968 -5.941 -0.072 1.00 0.00 H new ATOM 0 HA MET C 10 -11.307 -7.894 1.947 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.417 -8.104 -0.882 1.00 0.00 H new ATOM 0 HB3 MET C 10 -12.268 -9.459 0.219 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.960 -6.987 0.716 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.565 -8.518 0.114 1.00 0.00 H new ATOM 0 HE1 MET C 10 -12.629 -7.515 4.024 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.166 -6.431 2.719 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.289 -6.872 4.027 1.00 0.00 H new ATOM 159 N ASN C 11 -9.936 -9.442 -0.180 1.00 0.00 N ATOM 160 CA ASN C 11 -8.719 -10.137 -0.637 1.00 0.00 C ATOM 161 C ASN C 11 -7.847 -9.269 -1.537 1.00 0.00 C ATOM 162 O ASN C 11 -6.637 -9.477 -1.609 1.00 0.00 O ATOM 163 CB ASN C 11 -9.082 -11.423 -1.386 1.00 0.00 C ATOM 164 CG ASN C 11 -9.682 -12.482 -0.487 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.896 -12.529 -0.287 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.839 -13.347 0.051 1.00 0.00 N ATOM 0 H ASN C 11 -10.790 -9.985 -0.309 1.00 0.00 H new ATOM 0 HA ASN C 11 -8.147 -10.372 0.260 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.789 -11.186 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.188 -11.824 -1.863 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.188 -14.089 0.658 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -7.840 -13.272 -0.141 1.00 0.00 H new ATOM 173 N SER C 12 -8.458 -8.304 -2.212 1.00 0.00 N ATOM 174 CA SER C 12 -7.733 -7.390 -3.083 1.00 0.00 C ATOM 175 C SER C 12 -6.555 -6.733 -2.353 1.00 0.00 C ATOM 176 O SER C 12 -5.511 -6.480 -2.956 1.00 0.00 O ATOM 177 CB SER C 12 -8.691 -6.329 -3.616 1.00 0.00 C ATOM 178 OG SER C 12 -9.821 -6.941 -4.217 1.00 0.00 O ATOM 0 H SER C 12 -9.463 -8.134 -2.172 1.00 0.00 H new ATOM 0 HA SER C 12 -7.322 -7.960 -3.916 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.012 -5.678 -2.803 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.179 -5.701 -4.345 1.00 0.00 H new ATOM 0 HG SER C 12 -10.557 -6.295 -4.263 1.00 0.00 H new ATOM 184 N ILE C 13 -6.712 -6.476 -1.053 1.00 0.00 N ATOM 185 CA ILE C 13 -5.631 -5.881 -0.275 1.00 0.00 C ATOM 186 C ILE C 13 -4.742 -6.957 0.346 1.00 0.00 C ATOM 187 O ILE C 13 -3.545 -6.759 0.517 1.00 0.00 O ATOM 188 CB ILE C 13 -6.134 -4.957 0.858 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.762 -5.764 1.991 1.00 0.00 C ATOM 190 CG2 ILE C 13 -7.128 -3.939 0.325 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.605 -5.103 3.337 1.00 0.00 C ATOM 0 H ILE C 13 -7.564 -6.668 -0.526 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.064 -5.278 -0.984 1.00 0.00 H new ATOM 0 HB ILE C 13 -5.270 -4.425 1.256 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.822 -5.908 1.784 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.306 -6.754 2.022 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.468 -3.301 1.141 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -6.648 -3.327 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -7.983 -4.458 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.071 -5.723 4.103 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.545 -4.983 3.562 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -7.085 -4.125 3.320 1.00 0.00 H new ATOM 203 N ASN C 14 -5.330 -8.094 0.693 1.00 0.00 N ATOM 204 CA ASN C 14 -4.585 -9.163 1.352 1.00 0.00 C ATOM 205 C ASN C 14 -3.627 -9.816 0.373 1.00 0.00 C ATOM 206 O ASN C 14 -2.517 -10.194 0.738 1.00 0.00 O ATOM 207 CB ASN C 14 -5.521 -10.214 1.924 1.00 0.00 C ATOM 208 CG ASN C 14 -6.523 -9.644 2.914 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.626 -9.248 2.540 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.146 -9.597 4.181 1.00 0.00 N ATOM 0 H ASN C 14 -6.316 -8.301 0.531 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.021 -8.719 2.172 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.059 -10.695 1.108 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.932 -10.987 2.417 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.779 -9.222 4.888 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.223 -9.935 4.451 1.00 0.00 H new ATOM 217 N SER C 15 -4.061 -9.941 -0.876 1.00 0.00 N ATOM 218 CA SER C 15 -3.185 -10.406 -1.937 1.00 0.00 C ATOM 219 C SER C 15 -1.987 -9.478 -2.045 1.00 0.00 C ATOM 220 O SER C 15 -0.875 -9.914 -2.326 1.00 0.00 O ATOM 221 CB SER C 15 -3.940 -10.479 -3.265 1.00 0.00 C ATOM 222 OG SER C 15 -5.051 -11.358 -3.172 1.00 0.00 O ATOM 0 H SER C 15 -5.012 -9.727 -1.175 1.00 0.00 H new ATOM 0 HA SER C 15 -2.834 -11.410 -1.699 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.282 -9.484 -3.548 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.267 -10.820 -4.052 1.00 0.00 H new ATOM 0 HG SER C 15 -5.765 -10.929 -2.657 1.00 0.00 H new ATOM 228 N VAL C 16 -2.226 -8.199 -1.782 1.00 0.00 N ATOM 229 CA VAL C 16 -1.156 -7.220 -1.713 1.00 0.00 C ATOM 230 C VAL C 16 -0.275 -7.482 -0.496 1.00 0.00 C ATOM 231 O VAL C 16 0.950 -7.397 -0.580 1.00 0.00 O ATOM 232 CB VAL C 16 -1.703 -5.777 -1.641 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.569 -4.793 -1.415 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.452 -5.423 -2.913 1.00 0.00 C ATOM 0 H VAL C 16 -3.157 -7.817 -1.613 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.568 -7.321 -2.625 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.396 -5.717 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.970 -3.781 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -0.064 -5.029 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.142 -4.862 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.829 -4.403 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.778 -5.502 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.288 -6.110 -3.046 1.00 0.00 H new ATOM 244 N ASN C 17 -0.896 -7.838 0.628 1.00 0.00 N ATOM 245 CA ASN C 17 -0.146 -8.047 1.864 1.00 0.00 C ATOM 246 C ASN C 17 0.848 -9.190 1.704 1.00 0.00 C ATOM 247 O ASN C 17 1.995 -9.088 2.140 1.00 0.00 O ATOM 248 CB ASN C 17 -1.078 -8.329 3.047 1.00 0.00 C ATOM 249 CG ASN C 17 -1.625 -7.066 3.689 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.006 -6.495 4.586 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.788 -6.619 3.242 1.00 0.00 N ATOM 0 H ASN C 17 -1.902 -7.986 0.708 1.00 0.00 H new ATOM 0 HA ASN C 17 0.400 -7.127 2.072 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.910 -8.946 2.707 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.538 -8.906 3.798 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.198 -5.776 3.643 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.274 -7.118 2.497 1.00 0.00 H new ATOM 258 N ASP C 18 0.409 -10.261 1.051 1.00 0.00 N ATOM 259 CA ASP C 18 1.262 -11.423 0.804 1.00 0.00 C ATOM 260 C ASP C 18 2.410 -11.086 -0.138 1.00 0.00 C ATOM 261 O ASP C 18 3.474 -11.701 -0.074 1.00 0.00 O ATOM 262 CB ASP C 18 0.454 -12.579 0.208 1.00 0.00 C ATOM 263 CG ASP C 18 -0.424 -13.275 1.225 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.632 -12.966 1.286 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.088 -14.144 1.959 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.537 -10.350 0.681 1.00 0.00 H new ATOM 0 HA ASP C 18 1.672 -11.723 1.768 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.169 -12.200 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.139 -13.305 -0.230 1.00 0.00 H new ATOM 270 N LYS C 19 2.198 -10.095 -0.995 1.00 0.00 N ATOM 271 CA LYS C 19 3.179 -9.742 -2.014 1.00 0.00 C ATOM 272 C LYS C 19 4.214 -8.789 -1.441 1.00 0.00 C ATOM 273 O LYS C 19 5.389 -8.819 -1.807 1.00 0.00 O ATOM 274 CB LYS C 19 2.487 -9.089 -3.214 1.00 0.00 C ATOM 275 CG LYS C 19 1.599 -10.030 -4.007 1.00 0.00 C ATOM 276 CD LYS C 19 0.893 -9.294 -5.136 1.00 0.00 C ATOM 277 CE LYS C 19 -0.174 -10.160 -5.787 1.00 0.00 C ATOM 278 NZ LYS C 19 -0.845 -9.464 -6.916 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.355 -9.521 -1.005 1.00 0.00 H new ATOM 0 HA LYS C 19 3.677 -10.654 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.886 -8.251 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.247 -8.678 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.199 -10.842 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS C 19 0.860 -10.482 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS C 19 0.437 -8.383 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS C 19 1.623 -8.990 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS C 19 0.279 -11.083 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS C 19 -0.918 -10.441 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 -1.565 -10.090 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 -1.300 -8.596 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 -0.140 -9.219 -7.640 1.00 0.00 H new ATOM 292 N LEU C 20 3.762 -7.942 -0.534 1.00 0.00 N ATOM 293 CA LEU C 20 4.618 -6.940 0.069 1.00 0.00 C ATOM 294 C LEU C 20 5.380 -7.513 1.256 1.00 0.00 C ATOM 295 O LEU C 20 6.518 -7.124 1.518 1.00 0.00 O ATOM 296 CB LEU C 20 3.782 -5.737 0.490 1.00 0.00 C ATOM 297 CG LEU C 20 3.075 -5.023 -0.663 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.499 -3.697 -0.205 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.027 -4.813 -1.827 1.00 0.00 C ATOM 0 H LEU C 20 2.799 -7.930 -0.198 1.00 0.00 H new ATOM 0 HA LEU C 20 5.354 -6.619 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.034 -6.065 1.211 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.427 -5.023 1.002 1.00 0.00 H new ATOM 0 HG LEU C 20 2.253 -5.655 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.001 -3.208 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.779 -3.870 0.595 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.303 -3.059 0.162 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.505 -4.304 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.872 -4.206 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.389 -5.779 -2.180 1.00 0.00 H new ATOM 311 N ASN C 21 4.765 -8.450 1.961 1.00 0.00 N ATOM 312 CA ASN C 21 5.429 -9.140 3.062 1.00 0.00 C ATOM 313 C ASN C 21 6.305 -10.270 2.516 1.00 0.00 C ATOM 314 O ASN C 21 6.116 -11.442 2.834 1.00 0.00 O ATOM 315 CB ASN C 21 4.394 -9.672 4.065 1.00 0.00 C ATOM 316 CG ASN C 21 3.902 -8.600 5.034 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.473 -8.422 6.109 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.844 -7.879 4.675 1.00 0.00 N ATOM 0 H ASN C 21 3.806 -8.752 1.792 1.00 0.00 H new ATOM 0 HA ASN C 21 6.070 -8.435 3.590 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.543 -10.080 3.520 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.833 -10.493 4.632 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.485 -7.155 5.298 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.391 -8.050 3.777 1.00 0.00 H new ATOM 325 N LYS C 22 7.267 -9.883 1.680 1.00 0.00 N ATOM 326 CA LYS C 22 8.137 -10.825 0.971 1.00 0.00 C ATOM 327 C LYS C 22 9.498 -11.026 1.656 1.00 0.00 C ATOM 328 O LYS C 22 10.397 -11.631 1.079 1.00 0.00 O ATOM 329 CB LYS C 22 8.335 -10.345 -0.481 1.00 0.00 C ATOM 330 CG LYS C 22 8.596 -8.841 -0.628 1.00 0.00 C ATOM 331 CD LYS C 22 9.993 -8.440 -0.170 1.00 0.00 C ATOM 332 CE LYS C 22 9.959 -7.243 0.773 1.00 0.00 C ATOM 333 NZ LYS C 22 9.091 -7.498 1.944 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.467 -8.904 1.473 1.00 0.00 H new ATOM 0 HA LYS C 22 7.642 -11.796 0.985 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.172 -10.890 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.448 -10.604 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.463 -8.553 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.856 -8.289 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.467 -9.284 0.331 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.605 -8.200 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.970 -7.016 1.111 1.00 0.00 H new ATOM 0 HE3 LYS C 22 9.598 -6.366 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.375 -6.877 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.101 -7.306 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.187 -8.491 2.237 1.00 0.00 H new ATOM 347 N GLY C 23 9.656 -10.511 2.869 1.00 0.00 N ATOM 348 CA GLY C 23 10.914 -10.679 3.582 1.00 0.00 C ATOM 349 C GLY C 23 11.498 -9.362 4.047 1.00 0.00 C ATOM 350 O GLY C 23 11.517 -9.072 5.238 1.00 0.00 O ATOM 0 H GLY C 23 8.943 -9.983 3.372 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.755 -11.327 4.444 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.631 -11.182 2.933 1.00 0.00 H new ATOM 354 N LYS C 24 11.960 -8.565 3.092 1.00 0.00 N ATOM 355 CA LYS C 24 12.516 -7.241 3.363 1.00 0.00 C ATOM 356 C LYS C 24 11.379 -6.257 3.654 1.00 0.00 C ATOM 357 O LYS C 24 10.305 -6.677 4.084 1.00 0.00 O ATOM 358 CB LYS C 24 13.351 -6.789 2.164 1.00 0.00 C ATOM 359 CG LYS C 24 14.576 -5.970 2.526 1.00 0.00 C ATOM 360 CD LYS C 24 15.592 -6.003 1.402 1.00 0.00 C ATOM 361 CE LYS C 24 16.650 -4.924 1.567 1.00 0.00 C ATOM 362 NZ LYS C 24 17.730 -5.046 0.553 1.00 0.00 N1+ ATOM 0 H LYS C 24 11.961 -8.817 2.104 1.00 0.00 H new ATOM 0 HA LYS C 24 13.164 -7.277 4.239 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.670 -7.669 1.606 1.00 0.00 H new ATOM 0 HB3 LYS C 24 12.720 -6.201 1.498 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.284 -4.940 2.729 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.024 -6.360 3.440 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.072 -6.981 1.374 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.083 -5.870 0.447 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.183 -3.942 1.484 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.081 -4.988 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.431 -4.292 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.193 -5.972 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.323 -4.959 -0.400 1.00 0.00 H new ATOM 376 N GLY C 25 11.616 -4.965 3.446 1.00 0.00 N ATOM 377 CA GLY C 25 10.603 -3.949 3.716 1.00 0.00 C ATOM 378 C GLY C 25 9.227 -4.320 3.254 1.00 0.00 C ATOM 379 O GLY C 25 9.047 -4.830 2.153 1.00 0.00 O ATOM 0 H GLY C 25 12.499 -4.597 3.092 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.575 -3.755 4.788 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.899 -3.018 3.232 1.00 0.00 H new ATOM 383 N LYS C 26 8.247 -4.039 4.078 1.00 0.00 N ATOM 384 CA LYS C 26 6.932 -4.583 3.848 1.00 0.00 C ATOM 385 C LYS C 26 5.828 -3.641 4.306 1.00 0.00 C ATOM 386 O LYS C 26 5.868 -3.103 5.412 1.00 0.00 O ATOM 387 CB LYS C 26 6.863 -5.927 4.556 1.00 0.00 C ATOM 388 CG LYS C 26 6.905 -5.838 6.073 1.00 0.00 C ATOM 389 CD LYS C 26 7.500 -7.094 6.679 1.00 0.00 C ATOM 390 CE LYS C 26 9.016 -7.015 6.717 1.00 0.00 C ATOM 391 NZ LYS C 26 9.637 -8.300 7.129 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.333 -3.445 4.903 1.00 0.00 H new ATOM 0 HA LYS C 26 6.769 -4.713 2.778 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.945 -6.434 4.259 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.694 -6.546 4.217 1.00 0.00 H new ATOM 0 HG2 LYS C 26 7.495 -4.972 6.373 1.00 0.00 H new ATOM 0 HG3 LYS C 26 5.897 -5.687 6.459 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.114 -7.233 7.689 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.192 -7.963 6.098 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.388 -6.734 5.732 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.320 -6.229 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.095 -8.183 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 8.904 -9.034 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 10.348 -8.583 6.425 1.00 0.00 H new ATOM 405 N LEU C 27 4.852 -3.450 3.435 1.00 0.00 N ATOM 406 CA LEU C 27 3.733 -2.567 3.704 1.00 0.00 C ATOM 407 C LEU C 27 2.489 -3.400 4.005 1.00 0.00 C ATOM 408 O LEU C 27 2.127 -4.290 3.236 1.00 0.00 O ATOM 409 CB LEU C 27 3.520 -1.641 2.493 1.00 0.00 C ATOM 410 CG LEU C 27 2.457 -0.545 2.638 1.00 0.00 C ATOM 411 CD1 LEU C 27 2.758 0.604 1.688 1.00 0.00 C ATOM 412 CD2 LEU C 27 1.067 -1.094 2.347 1.00 0.00 C ATOM 0 H LEU C 27 4.814 -3.903 2.522 1.00 0.00 H new ATOM 0 HA LEU C 27 3.937 -1.945 4.576 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.471 -1.163 2.260 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.255 -2.259 1.635 1.00 0.00 H new ATOM 0 HG LEU C 27 2.482 -0.184 3.666 1.00 0.00 H new ATOM 0 HD11 LEU C 27 1.997 1.377 1.799 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.737 1.022 1.922 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.756 0.237 0.661 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.331 -0.298 2.457 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.034 -1.481 1.328 1.00 0.00 H new ATOM 0 HD23 LEU C 27 0.839 -1.897 3.047 1.00 0.00 H new ATOM 424 N SER C 28 1.871 -3.136 5.145 1.00 0.00 N ATOM 425 CA SER C 28 0.656 -3.831 5.543 1.00 0.00 C ATOM 426 C SER C 28 -0.560 -2.931 5.324 1.00 0.00 C ATOM 427 O SER C 28 -0.532 -1.758 5.682 1.00 0.00 O ATOM 428 CB SER C 28 0.754 -4.221 7.013 1.00 0.00 C ATOM 429 OG SER C 28 1.915 -5.001 7.246 1.00 0.00 O ATOM 0 H SER C 28 2.194 -2.439 5.817 1.00 0.00 H new ATOM 0 HA SER C 28 0.541 -4.729 4.936 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.782 -3.324 7.632 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.133 -4.783 7.306 1.00 0.00 H new ATOM 0 HG SER C 28 1.963 -5.241 8.195 1.00 0.00 H new ATOM 435 N LEU C 29 -1.620 -3.478 4.752 1.00 0.00 N ATOM 436 CA LEU C 29 -2.796 -2.683 4.391 1.00 0.00 C ATOM 437 C LEU C 29 -3.899 -2.831 5.415 1.00 0.00 C ATOM 438 O LEU C 29 -4.311 -3.948 5.734 1.00 0.00 O ATOM 439 CB LEU C 29 -3.340 -3.095 3.016 1.00 0.00 C ATOM 440 CG LEU C 29 -2.431 -2.825 1.810 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.232 -3.762 1.801 1.00 0.00 C ATOM 442 CD2 LEU C 29 -3.222 -2.970 0.520 1.00 0.00 C ATOM 0 H LEU C 29 -1.696 -4.470 4.525 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.474 -1.642 4.359 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.563 -4.162 3.043 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -4.285 -2.576 2.854 1.00 0.00 H new ATOM 0 HG LEU C 29 -2.057 -1.804 1.889 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.607 -3.545 0.934 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.651 -3.618 2.712 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.578 -4.795 1.750 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -2.569 -2.777 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -3.620 -3.982 0.449 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -4.045 -2.255 0.516 1.00 0.00 H new ATOM 454 N SER C 30 -4.381 -1.710 5.936 1.00 0.00 N ATOM 455 CA SER C 30 -5.541 -1.746 6.787 1.00 0.00 C ATOM 456 C SER C 30 -6.297 -0.424 6.714 1.00 0.00 C ATOM 457 O SER C 30 -5.694 0.642 6.569 1.00 0.00 O ATOM 458 CB SER C 30 -5.141 -2.070 8.231 1.00 0.00 C ATOM 459 OG SER C 30 -6.281 -2.313 9.039 1.00 0.00 O ATOM 0 H SER C 30 -3.987 -0.782 5.782 1.00 0.00 H new ATOM 0 HA SER C 30 -6.204 -2.536 6.435 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.491 -2.945 8.243 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.568 -1.241 8.647 1.00 0.00 H new ATOM 0 HG SER C 30 -5.996 -2.519 9.954 1.00 0.00 H new ATOM 465 N MET C 31 -7.619 -0.505 6.800 1.00 0.00 N ATOM 466 CA MET C 31 -8.469 0.669 6.669 1.00 0.00 C ATOM 467 C MET C 31 -9.419 0.768 7.850 1.00 0.00 C ATOM 468 O MET C 31 -9.923 -0.243 8.342 1.00 0.00 O ATOM 469 CB MET C 31 -9.295 0.618 5.374 1.00 0.00 C ATOM 470 CG MET C 31 -8.480 0.400 4.110 1.00 0.00 C ATOM 471 SD MET C 31 -7.935 -1.311 3.909 1.00 0.00 S ATOM 472 CE MET C 31 -6.917 -1.159 2.446 1.00 0.00 C ATOM 0 H MET C 31 -8.126 -1.375 6.961 1.00 0.00 H new ATOM 0 HA MET C 31 -7.817 1.542 6.641 1.00 0.00 H new ATOM 0 HB2 MET C 31 -10.030 -0.183 5.459 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.850 1.551 5.276 1.00 0.00 H new ATOM 0 HG2 MET C 31 -9.077 0.690 3.245 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.608 1.054 4.129 1.00 0.00 H new ATOM 0 HE1 MET C 31 -6.475 -2.126 2.208 1.00 0.00 H new ATOM 0 HE2 MET C 31 -7.530 -0.825 1.609 1.00 0.00 H new ATOM 0 HE3 MET C 31 -6.125 -0.433 2.628 1.00 0.00 H new ATOM 482 N ASN C 32 -9.646 1.986 8.309 1.00 0.00 N ATOM 483 CA ASN C 32 -10.641 2.245 9.335 1.00 0.00 C ATOM 484 C ASN C 32 -11.495 3.432 8.923 1.00 0.00 C ATOM 485 O ASN C 32 -11.190 4.579 9.261 1.00 0.00 O ATOM 486 CB ASN C 32 -9.972 2.529 10.687 1.00 0.00 C ATOM 487 CG ASN C 32 -9.205 1.340 11.228 1.00 0.00 C ATOM 488 OD1 ASN C 32 -8.020 1.168 10.945 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.872 0.511 12.014 1.00 0.00 N ATOM 0 H ASN C 32 -9.151 2.817 7.985 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.268 1.360 9.444 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.293 3.375 10.580 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.734 2.822 11.409 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.404 -0.305 12.409 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.854 0.688 12.225 1.00 0.00 H new ATOM 496 N GLY C 33 -12.567 3.143 8.195 1.00 0.00 N ATOM 497 CA GLY C 33 -13.467 4.177 7.720 1.00 0.00 C ATOM 498 C GLY C 33 -12.783 5.186 6.806 1.00 0.00 C ATOM 499 O GLY C 33 -12.582 4.921 5.621 1.00 0.00 O ATOM 0 H GLY C 33 -12.831 2.196 7.922 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.295 3.713 7.185 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.894 4.701 8.575 1.00 0.00 H new ATOM 503 N ASN C 34 -12.406 6.334 7.358 1.00 0.00 N ATOM 504 CA ASN C 34 -11.790 7.403 6.578 1.00 0.00 C ATOM 505 C ASN C 34 -10.276 7.360 6.689 1.00 0.00 C ATOM 506 O ASN C 34 -9.606 8.371 6.488 1.00 0.00 O ATOM 507 CB ASN C 34 -12.263 8.770 7.080 1.00 0.00 C ATOM 508 CG ASN C 34 -11.913 9.012 8.547 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.778 8.946 9.419 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.632 9.231 8.835 1.00 0.00 N ATOM 0 H ASN C 34 -12.517 6.550 8.349 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.085 7.256 5.539 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.813 9.553 6.469 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.343 8.846 6.951 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.341 9.350 9.805 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.942 9.280 8.086 1.00 0.00 H new ATOM 517 N GLN C 35 -9.724 6.209 6.991 1.00 0.00 N ATOM 518 CA GLN C 35 -8.346 6.157 7.406 1.00 0.00 C ATOM 519 C GLN C 35 -7.657 4.929 6.880 1.00 0.00 C ATOM 520 O GLN C 35 -7.917 3.809 7.319 1.00 0.00 O ATOM 521 CB GLN C 35 -8.234 6.169 8.925 1.00 0.00 C ATOM 522 CG GLN C 35 -6.798 6.067 9.401 1.00 0.00 C ATOM 523 CD GLN C 35 -6.693 5.827 10.892 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.639 6.769 11.681 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.658 4.565 11.289 1.00 0.00 N ATOM 0 H GLN C 35 -10.201 5.308 6.958 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.860 7.042 6.995 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.677 7.087 9.312 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.809 5.339 9.335 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.300 5.255 8.870 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.269 6.985 9.147 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.705 3.813 10.602 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.584 4.345 12.282 1.00 0.00 H new ATOM 534 N LEU C 36 -6.794 5.150 5.932 1.00 0.00 N ATOM 535 CA LEU C 36 -5.856 4.149 5.518 1.00 0.00 C ATOM 536 C LEU C 36 -4.608 4.261 6.386 1.00 0.00 C ATOM 537 O LEU C 36 -4.024 5.338 6.506 1.00 0.00 O ATOM 538 CB LEU C 36 -5.564 4.405 4.050 1.00 0.00 C ATOM 539 CG LEU C 36 -4.765 3.357 3.264 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.303 3.324 3.684 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.388 1.985 3.415 1.00 0.00 C ATOM 0 H LEU C 36 -6.721 6.031 5.423 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.240 3.136 5.635 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.519 4.542 3.542 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -5.027 5.351 3.980 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.799 3.646 2.214 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.774 2.568 3.103 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.851 4.300 3.507 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.234 3.080 4.744 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.806 1.257 2.850 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.397 1.704 4.468 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.410 2.006 3.036 1.00 0.00 H new ATOM 553 N LYS C 37 -4.236 3.161 7.018 1.00 0.00 N ATOM 554 CA LYS C 37 -3.023 3.109 7.819 1.00 0.00 C ATOM 555 C LYS C 37 -2.227 1.889 7.363 1.00 0.00 C ATOM 556 O LYS C 37 -2.566 0.744 7.667 1.00 0.00 O ATOM 557 CB LYS C 37 -3.362 2.997 9.315 1.00 0.00 C ATOM 558 CG LYS C 37 -4.310 1.854 9.655 1.00 0.00 C ATOM 559 CD LYS C 37 -4.250 1.496 11.130 1.00 0.00 C ATOM 560 CE LYS C 37 -5.085 0.263 11.433 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.919 -0.192 12.837 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.760 2.286 6.992 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.442 4.021 7.685 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.437 2.867 9.877 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.807 3.935 9.647 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.329 2.135 9.390 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.055 0.979 9.057 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.215 1.318 11.421 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.608 2.336 11.725 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.136 0.482 11.245 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.801 -0.542 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.506 -1.035 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.921 -0.426 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.214 0.566 13.485 1.00 0.00 H new ATOM 575 N ALA C 38 -1.197 2.138 6.599 1.00 0.00 N ATOM 576 CA ALA C 38 -0.311 1.087 6.153 1.00 0.00 C ATOM 577 C ALA C 38 0.960 1.096 6.981 1.00 0.00 C ATOM 578 O ALA C 38 1.696 2.079 6.997 1.00 0.00 O ATOM 579 CB ALA C 38 0.009 1.271 4.679 1.00 0.00 C ATOM 0 H ALA C 38 -0.946 3.069 6.267 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.802 0.123 6.283 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.677 0.475 4.350 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.913 1.234 4.099 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.493 2.236 4.529 1.00 0.00 H new ATOM 585 N THR C 39 1.209 0.003 7.672 1.00 0.00 N ATOM 586 CA THR C 39 2.362 -0.088 8.540 1.00 0.00 C ATOM 587 C THR C 39 3.493 -0.817 7.838 1.00 0.00 C ATOM 588 O THR C 39 3.273 -1.813 7.144 1.00 0.00 O ATOM 589 CB THR C 39 2.020 -0.814 9.853 1.00 0.00 C ATOM 590 OG1 THR C 39 1.593 -2.148 9.566 1.00 0.00 O ATOM 591 CG2 THR C 39 0.925 -0.080 10.614 1.00 0.00 C ATOM 0 H THR C 39 0.627 -0.835 7.649 1.00 0.00 H new ATOM 0 HA THR C 39 2.676 0.928 8.779 1.00 0.00 H new ATOM 0 HB THR C 39 2.914 -0.838 10.476 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.377 -2.610 10.403 1.00 0.00 H new ATOM 0 HG21 THR C 39 0.703 -0.614 11.538 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.261 0.930 10.851 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.026 -0.029 9.999 1.00 0.00 H new ATOM 599 N SER C 40 4.694 -0.316 8.018 1.00 0.00 N ATOM 600 CA SER C 40 5.859 -0.890 7.387 1.00 0.00 C ATOM 601 C SER C 40 6.753 -1.535 8.422 1.00 0.00 C ATOM 602 O SER C 40 7.241 -0.878 9.345 1.00 0.00 O ATOM 603 CB SER C 40 6.627 0.182 6.622 1.00 0.00 C ATOM 604 OG SER C 40 7.754 -0.363 5.957 1.00 0.00 O ATOM 0 H SER C 40 4.890 0.496 8.603 1.00 0.00 H new ATOM 0 HA SER C 40 5.532 -1.655 6.683 1.00 0.00 H new ATOM 0 HB2 SER C 40 5.967 0.655 5.895 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.951 0.961 7.312 1.00 0.00 H new ATOM 0 HG SER C 40 7.498 -1.196 5.508 1.00 0.00 H new ATOM 610 N SER C 41 6.957 -2.824 8.268 1.00 0.00 N ATOM 611 CA SER C 41 7.862 -3.545 9.128 1.00 0.00 C ATOM 612 C SER C 41 9.229 -3.615 8.457 1.00 0.00 C ATOM 613 O SER C 41 9.436 -2.982 7.411 1.00 0.00 O ATOM 614 CB SER C 41 7.306 -4.940 9.430 1.00 0.00 C ATOM 615 OG SER C 41 8.099 -5.624 10.387 1.00 0.00 O ATOM 0 H SER C 41 6.506 -3.394 7.552 1.00 0.00 H new ATOM 0 HA SER C 41 7.969 -3.027 10.081 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.284 -4.853 9.799 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.263 -5.522 8.509 1.00 0.00 H new ATOM 0 HG SER C 41 7.715 -6.509 10.557 1.00 0.00 H new ATOM 621 N ASN C 42 10.141 -4.380 9.054 1.00 0.00 N ATOM 622 CA ASN C 42 11.537 -4.429 8.628 1.00 0.00 C ATOM 623 C ASN C 42 12.240 -3.130 8.977 1.00 0.00 C ATOM 624 O ASN C 42 13.191 -2.725 8.310 1.00 0.00 O ATOM 625 CB ASN C 42 11.669 -4.724 7.132 1.00 0.00 C ATOM 626 CG ASN C 42 12.700 -5.792 6.847 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.397 -6.984 6.863 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.924 -5.374 6.573 1.00 0.00 N ATOM 0 H ASN C 42 9.932 -4.984 9.848 1.00 0.00 H new ATOM 0 HA ASN C 42 12.015 -5.249 9.164 1.00 0.00 H new ATOM 0 HB2 ASN C 42 10.703 -5.041 6.740 1.00 0.00 H new ATOM 0 HB3 ASN C 42 11.942 -3.809 6.606 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.659 -6.050 6.364 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.133 -4.376 6.570 1.00 0.00 H new ATOM 635 N ALA C 43 11.745 -2.484 10.031 1.00 0.00 N ATOM 636 CA ALA C 43 12.339 -1.261 10.569 1.00 0.00 C ATOM 637 C ALA C 43 12.392 -0.143 9.531 1.00 0.00 C ATOM 638 O ALA C 43 13.308 0.682 9.534 1.00 0.00 O ATOM 639 CB ALA C 43 13.722 -1.550 11.128 1.00 0.00 C ATOM 0 H ALA C 43 10.917 -2.795 10.538 1.00 0.00 H new ATOM 0 HA ALA C 43 11.698 -0.911 11.378 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.153 -0.631 11.525 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.645 -2.289 11.925 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.361 -1.937 10.335 1.00 0.00 H new ATOM 645 N GLY C 44 11.415 -0.126 8.637 1.00 0.00 N ATOM 646 CA GLY C 44 11.306 0.956 7.676 1.00 0.00 C ATOM 647 C GLY C 44 12.154 0.746 6.438 1.00 0.00 C ATOM 648 O GLY C 44 12.063 1.525 5.491 1.00 0.00 O ATOM 0 H GLY C 44 10.694 -0.843 8.558 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.263 1.065 7.379 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.600 1.890 8.155 1.00 0.00 H new ATOM 652 N TYR C 45 12.976 -0.299 6.440 1.00 0.00 N ATOM 653 CA TYR C 45 13.821 -0.608 5.291 1.00 0.00 C ATOM 654 C TYR C 45 12.967 -0.942 4.077 1.00 0.00 C ATOM 655 O TYR C 45 11.788 -1.268 4.210 1.00 0.00 O ATOM 656 CB TYR C 45 14.767 -1.767 5.609 1.00 0.00 C ATOM 657 CG TYR C 45 15.930 -1.375 6.498 1.00 0.00 C ATOM 658 CD1 TYR C 45 15.817 -1.398 7.883 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.147 -0.984 5.949 1.00 0.00 C ATOM 660 CE1 TYR C 45 16.878 -1.043 8.692 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.210 -0.626 6.754 1.00 0.00 C ATOM 662 CZ TYR C 45 18.071 -0.661 8.123 1.00 0.00 C ATOM 663 OH TYR C 45 19.133 -0.310 8.928 1.00 0.00 O ATOM 0 H TYR C 45 13.075 -0.945 7.223 1.00 0.00 H new ATOM 0 HA TYR C 45 14.421 0.273 5.064 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.202 -2.563 6.094 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.155 -2.175 4.676 1.00 0.00 H new ATOM 0 HD1 TYR C 45 14.883 -1.699 8.334 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.262 -0.960 4.875 1.00 0.00 H new ATOM 0 HE1 TYR C 45 16.772 -1.065 9.767 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.146 -0.320 6.312 1.00 0.00 H new ATOM 0 HH TYR C 45 19.901 -0.067 8.369 1.00 0.00 H new ATOM 673 N GLY C 46 13.572 -0.865 2.902 1.00 0.00 N ATOM 674 CA GLY C 46 12.831 -1.008 1.667 1.00 0.00 C ATOM 675 C GLY C 46 12.655 -2.444 1.238 1.00 0.00 C ATOM 676 O GLY C 46 13.299 -3.343 1.773 1.00 0.00 O ATOM 0 H GLY C 46 14.572 -0.705 2.782 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.850 -0.549 1.785 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.346 -0.461 0.877 1.00 0.00 H new ATOM 680 N ILE C 47 11.762 -2.652 0.277 1.00 0.00 N ATOM 681 CA ILE C 47 11.564 -3.964 -0.327 1.00 0.00 C ATOM 682 C ILE C 47 12.836 -4.423 -0.977 1.00 0.00 C ATOM 683 O ILE C 47 13.338 -5.518 -0.733 1.00 0.00 O ATOM 684 CB ILE C 47 10.523 -3.942 -1.462 1.00 0.00 C ATOM 685 CG1 ILE C 47 9.102 -3.690 -0.949 1.00 0.00 C ATOM 686 CG2 ILE C 47 10.593 -5.230 -2.274 1.00 0.00 C ATOM 687 CD1 ILE C 47 8.789 -2.233 -0.688 1.00 0.00 C ATOM 0 H ILE C 47 11.159 -1.922 -0.103 1.00 0.00 H new ATOM 0 HA ILE C 47 11.234 -4.615 0.482 1.00 0.00 H new ATOM 0 HB ILE C 47 10.772 -3.104 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.390 -4.079 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.955 -4.253 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE C 47 9.851 -5.198 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE C 47 11.588 -5.333 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE C 47 10.390 -6.081 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE C 47 7.765 -2.140 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.475 -1.842 0.064 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.902 -1.666 -1.612 1.00 0.00 H new ATOM 699 N SER C 48 13.325 -3.571 -1.846 1.00 0.00 N ATOM 700 CA SER C 48 14.391 -3.935 -2.716 1.00 0.00 C ATOM 701 C SER C 48 15.490 -2.895 -2.646 1.00 0.00 C ATOM 702 O SER C 48 15.475 -2.009 -1.789 1.00 0.00 O ATOM 703 CB SER C 48 13.856 -4.073 -4.146 1.00 0.00 C ATOM 704 OG SER C 48 14.846 -4.558 -5.037 1.00 0.00 O ATOM 0 H SER C 48 12.990 -2.614 -1.961 1.00 0.00 H new ATOM 0 HA SER C 48 14.809 -4.893 -2.407 1.00 0.00 H new ATOM 0 HB2 SER C 48 13.001 -4.750 -4.150 1.00 0.00 H new ATOM 0 HB3 SER C 48 13.497 -3.104 -4.494 1.00 0.00 H new ATOM 0 HG SER C 48 14.442 -5.200 -5.657 1.00 0.00 H new ATOM 710 N TYR C 49 16.433 -3.005 -3.551 1.00 0.00 N ATOM 711 CA TYR C 49 17.563 -2.114 -3.582 1.00 0.00 C ATOM 712 C TYR C 49 17.775 -1.617 -5.003 1.00 0.00 C ATOM 713 O TYR C 49 18.822 -1.067 -5.343 1.00 0.00 O ATOM 714 CB TYR C 49 18.783 -2.855 -3.033 1.00 0.00 C ATOM 715 CG TYR C 49 19.386 -3.898 -3.980 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.487 -3.614 -4.800 1.00 0.00 C ATOM 717 CD2 TYR C 49 18.853 -5.186 -4.038 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.022 -4.579 -5.635 1.00 0.00 C ATOM 719 CE2 TYR C 49 19.388 -6.147 -4.876 1.00 0.00 C ATOM 720 CZ TYR C 49 20.471 -5.839 -5.668 1.00 0.00 C ATOM 721 OH TYR C 49 21.009 -6.798 -6.497 1.00 0.00 O ATOM 0 H TYR C 49 16.437 -3.714 -4.284 1.00 0.00 H new ATOM 0 HA TYR C 49 17.391 -1.238 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.552 -2.124 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR C 49 18.501 -3.350 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.924 -2.627 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR C 49 18.006 -5.437 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.871 -4.343 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR C 49 18.957 -7.137 -4.909 1.00 0.00 H new ATOM 0 HH TYR C 49 20.505 -7.633 -6.401 1.00 0.00 H new ATOM 731 N GLU C 50 16.747 -1.807 -5.822 1.00 0.00 N ATOM 732 CA GLU C 50 16.780 -1.410 -7.219 1.00 0.00 C ATOM 733 C GLU C 50 15.599 -0.501 -7.523 1.00 0.00 C ATOM 734 O GLU C 50 14.636 -0.448 -6.758 1.00 0.00 O ATOM 735 CB GLU C 50 16.720 -2.646 -8.120 1.00 0.00 C ATOM 736 CG GLU C 50 17.741 -3.714 -7.770 1.00 0.00 C ATOM 737 CD GLU C 50 17.593 -4.952 -8.629 1.00 0.00 C ATOM 738 OE1 GLU C 50 16.632 -5.717 -8.415 1.00 0.00 O ATOM 739 OE2 GLU C 50 18.438 -5.167 -9.523 1.00 0.00 O1- ATOM 0 H GLU C 50 15.870 -2.240 -5.534 1.00 0.00 H new ATOM 0 HA GLU C 50 17.710 -0.874 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.721 -3.079 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.872 -2.337 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU C 50 18.745 -3.308 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.633 -3.987 -6.720 1.00 0.00 H new ATOM 746 N ASP C 51 15.682 0.209 -8.638 1.00 0.00 N ATOM 747 CA ASP C 51 14.658 1.176 -9.013 1.00 0.00 C ATOM 748 C ASP C 51 13.460 0.499 -9.656 1.00 0.00 C ATOM 749 O ASP C 51 13.523 0.059 -10.803 1.00 0.00 O ATOM 750 CB ASP C 51 15.224 2.228 -9.972 1.00 0.00 C ATOM 751 CG ASP C 51 16.175 3.191 -9.294 1.00 0.00 C ATOM 752 OD1 ASP C 51 17.398 2.938 -9.305 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.710 4.207 -8.744 1.00 0.00 O1- ATOM 0 H ASP C 51 16.452 0.134 -9.303 1.00 0.00 H new ATOM 0 HA ASP C 51 14.330 1.665 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.744 1.726 -10.788 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.401 2.789 -10.415 1.00 0.00 H new ATOM 758 N LYS C 52 12.377 0.405 -8.901 1.00 0.00 N ATOM 759 CA LYS C 52 11.104 -0.055 -9.435 1.00 0.00 C ATOM 760 C LYS C 52 10.092 1.065 -9.339 1.00 0.00 C ATOM 761 O LYS C 52 10.057 1.790 -8.339 1.00 0.00 O ATOM 762 CB LYS C 52 10.547 -1.263 -8.678 1.00 0.00 C ATOM 763 CG LYS C 52 11.288 -2.570 -8.892 1.00 0.00 C ATOM 764 CD LYS C 52 12.564 -2.655 -8.067 1.00 0.00 C ATOM 765 CE LYS C 52 13.184 -4.044 -8.132 1.00 0.00 C ATOM 766 NZ LYS C 52 12.251 -5.095 -7.645 1.00 0.00 N1+ ATOM 0 H LYS C 52 12.354 0.643 -7.909 1.00 0.00 H new ATOM 0 HA LYS C 52 11.281 -0.354 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.551 -1.034 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.506 -1.404 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.634 -3.402 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS C 52 11.534 -2.676 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS C 52 13.281 -1.919 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.344 -2.402 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS C 52 13.473 -4.264 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS C 52 14.095 -4.063 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.791 -5.845 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.575 -4.676 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.734 -5.501 -8.451 1.00 0.00 H new ATOM 780 N ASN C 53 9.262 1.193 -10.358 1.00 0.00 N ATOM 781 CA ASN C 53 8.214 2.204 -10.357 1.00 0.00 C ATOM 782 C ASN C 53 6.954 1.642 -9.733 1.00 0.00 C ATOM 783 O ASN C 53 6.287 0.778 -10.300 1.00 0.00 O ATOM 784 CB ASN C 53 7.926 2.747 -11.763 1.00 0.00 C ATOM 785 CG ASN C 53 8.055 1.703 -12.851 1.00 0.00 C ATOM 786 OD1 ASN C 53 9.114 1.547 -13.457 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.987 0.980 -13.105 1.00 0.00 N ATOM 0 H ASN C 53 9.291 0.612 -11.196 1.00 0.00 H new ATOM 0 HA ASN C 53 8.569 3.045 -9.761 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.918 3.160 -11.785 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.612 3.568 -11.975 1.00 0.00 H new ATOM 0 HD21 ASN C 53 7.019 0.260 -13.826 1.00 0.00 H new ATOM 0 HD22 ASN C 53 6.127 1.139 -12.581 1.00 0.00 H new ATOM 794 N TRP C 54 6.654 2.137 -8.552 1.00 0.00 N ATOM 795 CA TRP C 54 5.572 1.618 -7.745 1.00 0.00 C ATOM 796 C TRP C 54 4.320 2.460 -7.856 1.00 0.00 C ATOM 797 O TRP C 54 4.383 3.585 -8.334 1.00 0.00 O ATOM 798 CB TRP C 54 6.003 1.594 -6.295 1.00 0.00 C ATOM 799 CG TRP C 54 6.013 0.223 -5.761 1.00 0.00 C ATOM 800 CD1 TRP C 54 7.046 -0.652 -5.685 1.00 0.00 C ATOM 801 CD2 TRP C 54 4.881 -0.432 -5.269 1.00 0.00 C ATOM 802 NE1 TRP C 54 6.600 -1.839 -5.146 1.00 0.00 N ATOM 803 CE2 TRP C 54 5.260 -1.718 -4.882 1.00 0.00 C ATOM 804 CE3 TRP C 54 3.573 -0.026 -5.119 1.00 0.00 C ATOM 805 CZ2 TRP C 54 4.346 -2.615 -4.346 1.00 0.00 C ATOM 806 CZ3 TRP C 54 2.677 -0.891 -4.599 1.00 0.00 C ATOM 807 CH2 TRP C 54 3.057 -2.183 -4.213 1.00 0.00 C ATOM 0 H TRP C 54 7.156 2.914 -8.123 1.00 0.00 H new ATOM 0 HA TRP C 54 5.343 0.616 -8.109 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.998 2.030 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP C 54 5.328 2.212 -5.703 1.00 0.00 H new ATOM 0 HD1 TRP C 54 8.060 -0.450 -5.998 1.00 0.00 H new ATOM 0 HE1 TRP C 54 7.170 -2.667 -4.973 1.00 0.00 H new ATOM 0 HE3 TRP C 54 3.270 0.968 -5.413 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 4.641 -3.610 -4.047 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 1.649 -0.582 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP C 54 2.315 -2.852 -3.802 1.00 0.00 H new ATOM 818 N GLY C 55 3.178 1.935 -7.402 1.00 0.00 N ATOM 819 CA GLY C 55 2.011 2.770 -7.350 1.00 0.00 C ATOM 820 C GLY C 55 0.818 2.190 -6.625 1.00 0.00 C ATOM 821 O GLY C 55 0.690 0.978 -6.448 1.00 0.00 O ATOM 0 H GLY C 55 3.053 0.975 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY C 55 2.282 3.711 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.712 3.007 -8.371 1.00 0.00 H new ATOM 825 N ILE C 56 -0.043 3.097 -6.188 1.00 0.00 N ATOM 826 CA ILE C 56 -1.318 2.749 -5.566 1.00 0.00 C ATOM 827 C ILE C 56 -2.470 3.462 -6.267 1.00 0.00 C ATOM 828 O ILE C 56 -2.362 4.645 -6.599 1.00 0.00 O ATOM 829 CB ILE C 56 -1.324 3.121 -4.071 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.207 2.368 -3.361 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.675 2.807 -3.437 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.044 2.746 -1.906 1.00 0.00 C ATOM 0 H ILE C 56 0.121 4.101 -6.254 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.447 1.671 -5.663 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.155 4.193 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.403 1.298 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.732 2.554 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.654 3.079 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.455 3.376 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -2.883 1.741 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.770 2.168 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.184 3.809 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -0.969 2.534 -1.369 1.00 0.00 H new ATOM 844 N PHE C 57 -3.567 2.743 -6.488 1.00 0.00 N ATOM 845 CA PHE C 57 -4.709 3.288 -7.214 1.00 0.00 C ATOM 846 C PHE C 57 -6.007 3.056 -6.442 1.00 0.00 C ATOM 847 O PHE C 57 -6.311 1.930 -6.064 1.00 0.00 O ATOM 848 CB PHE C 57 -4.811 2.626 -8.592 1.00 0.00 C ATOM 849 CG PHE C 57 -3.480 2.435 -9.259 1.00 0.00 C ATOM 850 CD1 PHE C 57 -2.892 3.460 -9.978 1.00 0.00 C ATOM 851 CD2 PHE C 57 -2.808 1.227 -9.149 1.00 0.00 C ATOM 852 CE1 PHE C 57 -1.660 3.284 -10.575 1.00 0.00 C ATOM 853 CE2 PHE C 57 -1.579 1.046 -9.745 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.004 2.076 -10.456 1.00 0.00 C ATOM 0 H PHE C 57 -3.689 1.780 -6.174 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.560 4.361 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.299 1.657 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.447 3.235 -9.234 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.402 4.407 -10.073 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.254 0.418 -8.589 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.210 4.091 -11.135 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.068 0.099 -9.655 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.039 1.938 -10.921 1.00 0.00 H new ATOM 864 N VAL C 58 -6.764 4.121 -6.213 1.00 0.00 N ATOM 865 CA VAL C 58 -8.052 4.022 -5.542 1.00 0.00 C ATOM 866 C VAL C 58 -9.183 4.133 -6.560 1.00 0.00 C ATOM 867 O VAL C 58 -9.386 5.181 -7.177 1.00 0.00 O ATOM 868 CB VAL C 58 -8.229 5.095 -4.431 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.130 6.509 -4.983 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.551 4.903 -3.707 1.00 0.00 C ATOM 0 H VAL C 58 -6.505 5.069 -6.485 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.087 3.047 -5.057 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.413 4.962 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.260 7.226 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.152 6.653 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.908 6.663 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.656 5.664 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.372 4.993 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.575 3.914 -3.249 1.00 0.00 H new ATOM 880 N ASN C 59 -9.887 3.025 -6.757 1.00 0.00 N ATOM 881 CA ASN C 59 -11.023 2.969 -7.677 1.00 0.00 C ATOM 882 C ASN C 59 -10.669 3.556 -9.044 1.00 0.00 C ATOM 883 O ASN C 59 -11.444 4.312 -9.626 1.00 0.00 O ATOM 884 CB ASN C 59 -12.235 3.702 -7.086 1.00 0.00 C ATOM 885 CG ASN C 59 -12.728 3.074 -5.794 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.294 3.442 -4.704 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.634 2.116 -5.905 1.00 0.00 N ATOM 0 H ASN C 59 -9.690 2.142 -6.287 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.278 1.919 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.970 4.743 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.044 3.704 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.996 1.657 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.971 1.837 -6.826 1.00 0.00 H new ATOM 894 N GLY C 60 -9.491 3.203 -9.547 1.00 0.00 N ATOM 895 CA GLY C 60 -9.075 3.642 -10.868 1.00 0.00 C ATOM 896 C GLY C 60 -8.311 4.958 -10.880 1.00 0.00 C ATOM 897 O GLY C 60 -7.802 5.365 -11.925 1.00 0.00 O ATOM 0 H GLY C 60 -8.812 2.617 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.450 2.869 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.958 3.742 -11.499 1.00 0.00 H new ATOM 901 N GLU C 61 -8.219 5.631 -9.742 1.00 0.00 N ATOM 902 CA GLU C 61 -7.467 6.884 -9.660 1.00 0.00 C ATOM 903 C GLU C 61 -6.172 6.696 -8.877 1.00 0.00 C ATOM 904 O GLU C 61 -6.093 5.866 -7.985 1.00 0.00 O ATOM 905 CB GLU C 61 -8.301 7.987 -9.008 1.00 0.00 C ATOM 906 CG GLU C 61 -9.260 8.684 -9.961 1.00 0.00 C ATOM 907 CD GLU C 61 -10.425 7.813 -10.387 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.456 7.379 -11.560 1.00 0.00 O ATOM 909 OE2 GLU C 61 -11.322 7.568 -9.557 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.651 5.337 -8.866 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.225 7.182 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -8.872 7.558 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -7.629 8.730 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -9.645 9.585 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -8.712 9.003 -10.847 1.00 0.00 H new ATOM 916 N LYS C 62 -5.163 7.479 -9.218 1.00 0.00 N ATOM 917 CA LYS C 62 -3.853 7.375 -8.584 1.00 0.00 C ATOM 918 C LYS C 62 -3.864 7.941 -7.166 1.00 0.00 C ATOM 919 O LYS C 62 -4.376 9.035 -6.922 1.00 0.00 O ATOM 920 CB LYS C 62 -2.811 8.105 -9.427 1.00 0.00 C ATOM 921 CG LYS C 62 -2.483 7.398 -10.731 1.00 0.00 C ATOM 922 CD LYS C 62 -1.021 6.979 -10.793 1.00 0.00 C ATOM 923 CE LYS C 62 -0.095 8.183 -10.868 1.00 0.00 C ATOM 924 NZ LYS C 62 1.335 7.781 -10.940 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.224 8.201 -9.936 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.598 6.317 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.173 9.109 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.897 8.217 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -3.118 6.519 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -2.708 8.058 -11.569 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.775 6.385 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.861 6.342 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.348 8.781 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.251 8.815 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.919 8.613 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.630 7.382 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.458 7.066 -11.685 1.00 0.00 H new ATOM 938 N VAL C 63 -3.298 7.176 -6.239 1.00 0.00 N ATOM 939 CA VAL C 63 -3.176 7.594 -4.846 1.00 0.00 C ATOM 940 C VAL C 63 -1.758 8.053 -4.544 1.00 0.00 C ATOM 941 O VAL C 63 -1.523 9.202 -4.177 1.00 0.00 O ATOM 942 CB VAL C 63 -3.520 6.453 -3.879 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.362 6.890 -2.430 1.00 0.00 C ATOM 944 CG2 VAL C 63 -4.917 5.931 -4.129 1.00 0.00 C ATOM 0 H VAL C 63 -2.912 6.252 -6.430 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.880 8.414 -4.704 1.00 0.00 H new ATOM 0 HB VAL C 63 -2.815 5.642 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -3.613 6.060 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.331 7.196 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -4.029 7.728 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.134 5.123 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -5.637 6.737 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -4.988 5.556 -5.150 1.00 0.00 H new ATOM 954 N TYR C 64 -0.821 7.136 -4.705 1.00 0.00 N ATOM 955 CA TYR C 64 0.567 7.386 -4.369 1.00 0.00 C ATOM 956 C TYR C 64 1.453 6.577 -5.305 1.00 0.00 C ATOM 957 O TYR C 64 1.068 5.495 -5.742 1.00 0.00 O ATOM 958 CB TYR C 64 0.823 6.989 -2.910 1.00 0.00 C ATOM 959 CG TYR C 64 2.028 7.652 -2.277 1.00 0.00 C ATOM 960 CD1 TYR C 64 3.286 7.070 -2.341 1.00 0.00 C ATOM 961 CD2 TYR C 64 1.896 8.857 -1.601 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.381 7.673 -1.751 1.00 0.00 C ATOM 963 CE2 TYR C 64 2.986 9.467 -1.011 1.00 0.00 C ATOM 964 CZ TYR C 64 4.226 8.872 -1.087 1.00 0.00 C ATOM 965 OH TYR C 64 5.311 9.478 -0.493 1.00 0.00 O ATOM 0 H TYR C 64 -1.001 6.201 -5.071 1.00 0.00 H new ATOM 0 HA TYR C 64 0.796 8.445 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.061 7.233 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.951 5.908 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR C 64 3.412 6.131 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR C 64 0.925 9.325 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR C 64 5.354 7.207 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR C 64 2.866 10.407 -0.492 1.00 0.00 H new ATOM 0 HH TYR C 64 5.027 10.315 -0.070 1.00 0.00 H new ATOM 975 N THR C 65 2.614 7.106 -5.627 1.00 0.00 N ATOM 976 CA THR C 65 3.547 6.429 -6.514 1.00 0.00 C ATOM 977 C THR C 65 4.954 6.500 -5.907 1.00 0.00 C ATOM 978 O THR C 65 5.368 7.567 -5.458 1.00 0.00 O ATOM 979 CB THR C 65 3.534 7.103 -7.906 1.00 0.00 C ATOM 980 OG1 THR C 65 2.207 7.061 -8.457 1.00 0.00 O ATOM 981 CG2 THR C 65 4.507 6.444 -8.870 1.00 0.00 C ATOM 0 H THR C 65 2.940 8.011 -5.286 1.00 0.00 H new ATOM 0 HA THR C 65 3.253 5.386 -6.630 1.00 0.00 H new ATOM 0 HB THR C 65 3.850 8.137 -7.771 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.770 7.928 -8.323 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.463 6.951 -9.834 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.518 6.513 -8.470 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.238 5.396 -8.999 1.00 0.00 H new ATOM 989 N PHE C 66 5.684 5.384 -5.868 1.00 0.00 N ATOM 990 CA PHE C 66 6.979 5.372 -5.173 1.00 0.00 C ATOM 991 C PHE C 66 7.972 4.371 -5.762 1.00 0.00 C ATOM 992 O PHE C 66 7.792 3.885 -6.875 1.00 0.00 O ATOM 993 CB PHE C 66 6.788 5.132 -3.668 1.00 0.00 C ATOM 994 CG PHE C 66 6.178 3.813 -3.262 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.801 3.640 -3.239 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.986 2.763 -2.848 1.00 0.00 C ATOM 997 CE1 PHE C 66 4.245 2.445 -2.816 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.436 1.567 -2.431 1.00 0.00 C ATOM 999 CZ PHE C 66 5.064 1.409 -2.412 1.00 0.00 C ATOM 0 H PHE C 66 5.414 4.498 -6.295 1.00 0.00 H new ATOM 0 HA PHE C 66 7.416 6.359 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.761 5.220 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE C 66 6.162 5.932 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE C 66 4.156 4.447 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE C 66 8.059 2.883 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE C 66 3.172 2.323 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE C 66 7.078 0.756 -2.120 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.632 0.476 -2.081 1.00 0.00 H new ATOM 1009 N ASN C 67 9.054 4.121 -5.023 1.00 0.00 N ATOM 1010 CA ASN C 67 10.132 3.241 -5.472 1.00 0.00 C ATOM 1011 C ASN C 67 10.437 2.195 -4.392 1.00 0.00 C ATOM 1012 O ASN C 67 10.365 2.485 -3.200 1.00 0.00 O ATOM 1013 CB ASN C 67 11.379 4.088 -5.752 1.00 0.00 C ATOM 1014 CG ASN C 67 12.427 3.381 -6.593 1.00 0.00 C ATOM 1015 OD1 ASN C 67 12.543 2.156 -6.585 1.00 0.00 O ATOM 1016 ND2 ASN C 67 13.212 4.165 -7.318 1.00 0.00 N ATOM 0 H ASN C 67 9.207 4.523 -4.098 1.00 0.00 H new ATOM 0 HA ASN C 67 9.830 2.722 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.077 5.004 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.827 4.382 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.945 3.757 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN C 67 13.083 5.177 -7.297 1.00 0.00 H new ATOM 1023 N GLU C 68 10.786 0.982 -4.821 1.00 0.00 N ATOM 1024 CA GLU C 68 11.022 -0.143 -3.898 1.00 0.00 C ATOM 1025 C GLU C 68 12.287 0.014 -3.067 1.00 0.00 C ATOM 1026 O GLU C 68 12.432 -0.638 -2.032 1.00 0.00 O ATOM 1027 CB GLU C 68 11.111 -1.462 -4.663 1.00 0.00 C ATOM 1028 CG GLU C 68 9.852 -2.306 -4.609 1.00 0.00 C ATOM 1029 CD GLU C 68 9.927 -3.517 -5.517 1.00 0.00 C ATOM 1030 OE1 GLU C 68 10.934 -4.256 -5.453 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.977 -3.740 -6.293 1.00 0.00 O1- ATOM 0 H GLU C 68 10.914 0.747 -5.805 1.00 0.00 H new ATOM 0 HA GLU C 68 10.169 -0.146 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU C 68 11.345 -1.248 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU C 68 11.941 -2.044 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU C 68 9.682 -2.634 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.996 -1.695 -4.894 1.00 0.00 H new ATOM 1038 N LYS C 69 13.211 0.840 -3.524 1.00 0.00 N ATOM 1039 CA LYS C 69 14.449 1.066 -2.788 1.00 0.00 C ATOM 1040 C LYS C 69 14.294 2.214 -1.795 1.00 0.00 C ATOM 1041 O LYS C 69 15.264 2.652 -1.180 1.00 0.00 O ATOM 1042 CB LYS C 69 15.608 1.345 -3.746 1.00 0.00 C ATOM 1043 CG LYS C 69 15.205 2.170 -4.951 1.00 0.00 C ATOM 1044 CD LYS C 69 16.392 2.888 -5.582 1.00 0.00 C ATOM 1045 CE LYS C 69 17.453 1.923 -6.086 1.00 0.00 C ATOM 1046 NZ LYS C 69 18.522 2.622 -6.849 1.00 0.00 N1+ ATOM 0 H LYS C 69 13.132 1.364 -4.395 1.00 0.00 H new ATOM 0 HA LYS C 69 14.674 0.158 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS C 69 16.399 1.866 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS C 69 16.025 0.397 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS C 69 14.739 1.522 -5.693 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.456 2.903 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.042 3.504 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS C 69 16.836 3.562 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.896 1.396 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.987 1.170 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 19.442 2.188 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 18.331 2.541 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 18.541 3.626 -6.579 1.00 0.00 H new ATOM 1060 N SER C 70 13.070 2.696 -1.650 1.00 0.00 N ATOM 1061 CA SER C 70 12.765 3.739 -0.684 1.00 0.00 C ATOM 1062 C SER C 70 12.379 3.111 0.649 1.00 0.00 C ATOM 1063 O SER C 70 12.102 1.913 0.718 1.00 0.00 O ATOM 1064 CB SER C 70 11.623 4.606 -1.210 1.00 0.00 C ATOM 1065 OG SER C 70 11.965 5.176 -2.462 1.00 0.00 O ATOM 0 H SER C 70 12.267 2.379 -2.193 1.00 0.00 H new ATOM 0 HA SER C 70 13.645 4.364 -0.535 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.720 4.004 -1.313 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.399 5.396 -0.493 1.00 0.00 H new ATOM 0 HG SER C 70 11.221 5.727 -2.785 1.00 0.00 H new ATOM 1071 N THR C 71 12.353 3.914 1.702 1.00 0.00 N ATOM 1072 CA THR C 71 11.984 3.434 3.003 1.00 0.00 C ATOM 1073 C THR C 71 10.479 3.281 3.065 1.00 0.00 C ATOM 1074 O THR C 71 9.746 4.270 3.121 1.00 0.00 O ATOM 1075 CB THR C 71 12.478 4.393 4.102 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.444 5.746 3.623 1.00 0.00 O ATOM 1077 CG2 THR C 71 13.893 4.041 4.532 1.00 0.00 C ATOM 0 H THR C 71 12.587 4.906 1.669 1.00 0.00 H new ATOM 0 HA THR C 71 12.454 2.466 3.175 1.00 0.00 H new ATOM 0 HB THR C 71 11.817 4.294 4.963 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.337 6.142 3.697 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.220 4.732 5.309 1.00 0.00 H new ATOM 0 HG22 THR C 71 13.913 3.023 4.921 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.563 4.115 3.675 1.00 0.00 H new ATOM 1085 N VAL C 72 10.025 2.035 3.033 1.00 0.00 N ATOM 1086 CA VAL C 72 8.605 1.725 2.944 1.00 0.00 C ATOM 1087 C VAL C 72 7.846 2.319 4.121 1.00 0.00 C ATOM 1088 O VAL C 72 6.632 2.459 4.072 1.00 0.00 O ATOM 1089 CB VAL C 72 8.347 0.199 2.895 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.101 -0.113 2.092 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.533 -0.545 2.316 1.00 0.00 C ATOM 0 H VAL C 72 10.629 1.214 3.068 1.00 0.00 H new ATOM 0 HA VAL C 72 8.247 2.167 2.014 1.00 0.00 H new ATOM 0 HB VAL C 72 8.199 -0.137 3.921 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.941 -1.191 2.072 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.241 0.373 2.552 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.223 0.254 1.073 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.318 -1.613 2.296 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.723 -0.194 1.302 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.413 -0.363 2.933 1.00 0.00 H new ATOM 1101 N GLY C 73 8.577 2.706 5.156 1.00 0.00 N ATOM 1102 CA GLY C 73 7.954 3.258 6.345 1.00 0.00 C ATOM 1103 C GLY C 73 7.714 4.737 6.210 1.00 0.00 C ATOM 1104 O GLY C 73 6.734 5.271 6.733 1.00 0.00 O ATOM 0 H GLY C 73 9.595 2.648 5.195 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.007 2.751 6.529 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.590 3.070 7.210 1.00 0.00 H new ATOM 1108 N ASN C 74 8.603 5.402 5.494 1.00 0.00 N ATOM 1109 CA ASN C 74 8.423 6.806 5.185 1.00 0.00 C ATOM 1110 C ASN C 74 7.416 6.941 4.061 1.00 0.00 C ATOM 1111 O ASN C 74 6.697 7.927 3.967 1.00 0.00 O ATOM 1112 CB ASN C 74 9.755 7.440 4.798 1.00 0.00 C ATOM 1113 CG ASN C 74 10.646 7.670 6.000 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.185 8.106 7.056 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.915 7.328 5.869 1.00 0.00 N ATOM 0 H ASN C 74 9.457 4.991 5.116 1.00 0.00 H new ATOM 0 HA ASN C 74 8.048 7.328 6.065 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.269 6.796 4.084 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.572 8.390 4.296 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.553 7.421 6.660 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.257 6.971 4.977 1.00 0.00 H new ATOM 1122 N ILE C 75 7.366 5.924 3.218 1.00 0.00 N ATOM 1123 CA ILE C 75 6.393 5.871 2.144 1.00 0.00 C ATOM 1124 C ILE C 75 4.993 5.610 2.694 1.00 0.00 C ATOM 1125 O ILE C 75 4.077 6.406 2.486 1.00 0.00 O ATOM 1126 CB ILE C 75 6.745 4.769 1.121 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.099 5.057 0.458 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.649 4.639 0.074 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.158 6.383 -0.274 1.00 0.00 C ATOM 0 H ILE C 75 7.992 5.120 3.258 1.00 0.00 H new ATOM 0 HA ILE C 75 6.414 6.839 1.643 1.00 0.00 H new ATOM 0 HB ILE C 75 6.822 3.821 1.653 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.877 5.040 1.222 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.325 4.255 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.916 3.857 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.709 4.380 0.561 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.535 5.586 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.147 6.512 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.405 6.397 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.965 7.195 0.427 1.00 0.00 H new ATOM 1141 N SER C 76 4.844 4.502 3.414 1.00 0.00 N ATOM 1142 CA SER C 76 3.538 4.066 3.888 1.00 0.00 C ATOM 1143 C SER C 76 2.878 5.086 4.796 1.00 0.00 C ATOM 1144 O SER C 76 1.765 5.526 4.536 1.00 0.00 O ATOM 1145 CB SER C 76 3.643 2.723 4.604 1.00 0.00 C ATOM 1146 OG SER C 76 4.619 2.767 5.631 1.00 0.00 O ATOM 0 H SER C 76 5.615 3.890 3.682 1.00 0.00 H new ATOM 0 HA SER C 76 2.907 3.957 3.006 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.675 2.457 5.029 1.00 0.00 H new ATOM 0 HB3 SER C 76 3.901 1.944 3.886 1.00 0.00 H new ATOM 0 HG SER C 76 5.511 2.662 5.239 1.00 0.00 H new ATOM 1152 N ASN C 77 3.561 5.470 5.852 1.00 0.00 N ATOM 1153 CA ASN C 77 2.946 6.341 6.849 1.00 0.00 C ATOM 1154 C ASN C 77 2.704 7.755 6.328 1.00 0.00 C ATOM 1155 O ASN C 77 1.887 8.474 6.895 1.00 0.00 O ATOM 1156 CB ASN C 77 3.722 6.368 8.165 1.00 0.00 C ATOM 1157 CG ASN C 77 2.976 5.646 9.288 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.595 5.077 10.186 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.639 5.673 9.259 1.00 0.00 N ATOM 0 H ASN C 77 4.526 5.203 6.048 1.00 0.00 H new ATOM 0 HA ASN C 77 1.970 5.901 7.055 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.697 5.902 8.020 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.903 7.402 8.457 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.104 5.213 9.995 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.155 6.153 8.501 1.00 0.00 H new ATOM 1166 N ASP C 78 3.381 8.161 5.253 1.00 0.00 N ATOM 1167 CA ASP C 78 3.014 9.410 4.577 1.00 0.00 C ATOM 1168 C ASP C 78 1.622 9.269 4.012 1.00 0.00 C ATOM 1169 O ASP C 78 0.774 10.136 4.198 1.00 0.00 O ATOM 1170 CB ASP C 78 3.968 9.766 3.442 1.00 0.00 C ATOM 1171 CG ASP C 78 5.094 10.684 3.875 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.298 11.728 3.217 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.767 10.387 4.883 1.00 0.00 O1- ATOM 0 H ASP C 78 4.167 7.660 4.839 1.00 0.00 H new ATOM 0 HA ASP C 78 3.066 10.209 5.316 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.392 8.850 3.032 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.406 10.244 2.640 1.00 0.00 H new ATOM 1178 N ILE C 79 1.401 8.143 3.345 1.00 0.00 N ATOM 1179 CA ILE C 79 0.092 7.788 2.818 1.00 0.00 C ATOM 1180 C ILE C 79 -0.955 7.839 3.923 1.00 0.00 C ATOM 1181 O ILE C 79 -2.121 8.162 3.693 1.00 0.00 O ATOM 1182 CB ILE C 79 0.107 6.361 2.220 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.114 6.261 1.078 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.276 5.956 1.737 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.222 4.865 0.507 1.00 0.00 C ATOM 0 H ILE C 79 2.126 7.451 3.155 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.155 8.507 2.037 1.00 0.00 H new ATOM 0 HB ILE C 79 0.409 5.674 3.011 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.825 6.951 0.285 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.094 6.578 1.436 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.236 4.949 1.322 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.974 5.976 2.574 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.611 6.652 0.968 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.953 4.858 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.539 4.175 1.289 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.251 4.554 0.121 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.521 7.541 5.133 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.438 7.432 6.244 1.00 0.00 C ATOM 1199 C ASN C 80 -1.620 8.763 6.949 1.00 0.00 C ATOM 1200 O ASN C 80 -2.639 8.981 7.602 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.967 6.375 7.241 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.476 5.104 6.572 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.959 4.710 5.514 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.485 4.444 7.198 1.00 0.00 N ATOM 0 H ASN C 80 0.457 7.371 5.368 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.402 7.127 5.836 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.165 6.791 7.851 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.787 6.130 7.916 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.849 3.577 6.803 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.862 4.802 8.076 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.639 9.654 6.833 1.00 0.00 N ATOM 1212 CA LYS C 81 -0.809 11.023 7.313 1.00 0.00 C ATOM 1213 C LYS C 81 -2.036 11.605 6.643 1.00 0.00 C ATOM 1214 O LYS C 81 -2.856 12.276 7.264 1.00 0.00 O ATOM 1215 CB LYS C 81 0.406 11.889 6.967 1.00 0.00 C ATOM 1216 CG LYS C 81 1.711 11.401 7.562 1.00 0.00 C ATOM 1217 CD LYS C 81 2.886 12.205 7.038 1.00 0.00 C ATOM 1218 CE LYS C 81 4.214 11.592 7.449 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.404 11.593 8.924 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.271 9.457 6.416 1.00 0.00 H new ATOM 0 HA LYS C 81 -0.917 11.009 8.398 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.509 11.933 5.883 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.222 12.907 7.311 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.670 11.478 8.649 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.852 10.347 7.322 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.832 12.262 5.951 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.825 13.226 7.414 1.00 0.00 H new ATOM 0 HE2 LYS C 81 4.269 10.568 7.079 1.00 0.00 H new ATOM 0 HE3 LYS C 81 5.028 12.145 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 5.338 11.197 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.344 12.568 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.663 11.015 9.370 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.161 11.269 5.370 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.255 11.719 4.532 1.00 0.00 C ATOM 1235 C LEU C 82 -4.594 11.233 5.082 1.00 0.00 C ATOM 1236 O LEU C 82 -5.627 11.848 4.821 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.061 11.175 3.113 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.602 11.080 2.636 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.547 10.575 1.203 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.909 12.432 2.739 1.00 0.00 C ATOM 0 H LEU C 82 -1.495 10.668 4.885 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.260 12.809 4.519 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.509 10.183 3.058 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.611 11.811 2.420 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.079 10.374 3.281 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.508 10.513 0.879 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.004 9.587 1.148 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.089 11.263 0.554 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.122 12.340 2.396 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.434 13.158 2.119 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.918 12.767 3.776 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.552 10.153 5.871 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.760 9.495 6.382 1.00 0.00 C ATOM 1254 C ASN C 83 -6.835 9.435 5.313 1.00 0.00 C ATOM 1255 O ASN C 83 -7.791 10.218 5.305 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.263 10.183 7.647 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.000 9.351 8.893 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.732 9.454 9.874 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -4.967 8.502 8.867 1.00 0.00 N ATOM 0 H ASN C 83 -3.683 9.712 6.172 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.504 8.470 6.648 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.776 11.153 7.750 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.333 10.371 7.556 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.768 7.916 9.678 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.378 8.441 8.036 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.653 8.493 4.408 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.477 8.404 3.220 1.00 0.00 C ATOM 1268 C ILE C 84 -8.654 7.466 3.399 1.00 0.00 C ATOM 1269 O ILE C 84 -8.567 6.440 4.068 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.671 7.960 1.985 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.541 7.019 2.363 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -6.151 9.163 1.209 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.570 6.751 1.233 1.00 0.00 C ATOM 0 H ILE C 84 -5.934 7.772 4.475 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.854 9.414 3.057 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.348 7.408 1.333 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -4.995 7.441 3.207 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.965 6.072 2.699 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -5.586 8.820 0.342 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -6.991 9.772 0.876 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -5.503 9.759 1.852 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.790 6.071 1.577 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.102 6.300 0.396 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -4.117 7.689 0.912 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.745 7.837 2.757 1.00 0.00 N ATOM 1286 CA LYS C 85 -10.992 7.079 2.784 1.00 0.00 C ATOM 1287 C LYS C 85 -10.957 5.921 1.801 1.00 0.00 C ATOM 1288 O LYS C 85 -11.952 5.221 1.623 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.145 8.021 2.426 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.848 8.887 1.193 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.965 8.115 -0.112 1.00 0.00 C ATOM 1292 CE LYS C 85 -10.726 8.307 -0.982 1.00 0.00 C ATOM 1293 NZ LYS C 85 -10.565 9.719 -1.426 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.796 8.685 2.192 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.130 6.665 3.783 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.044 7.433 2.243 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -12.356 8.669 3.277 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -12.537 9.731 1.173 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -10.842 9.298 1.277 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -12.102 7.055 0.101 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.849 8.448 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.841 8.000 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -10.793 7.658 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.721 9.800 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -11.404 10.011 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.457 10.334 -0.594 1.00 0.00 H new ATOM 1307 N GLY C 86 -9.805 5.744 1.176 1.00 0.00 N ATOM 1308 CA GLY C 86 -9.665 4.831 0.057 1.00 0.00 C ATOM 1309 C GLY C 86 -10.158 3.426 0.353 1.00 0.00 C ATOM 1310 O GLY C 86 -9.543 2.705 1.139 1.00 0.00 O ATOM 0 H GLY C 86 -8.944 6.228 1.430 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -10.215 5.228 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -8.616 4.785 -0.234 1.00 0.00 H new ATOM 1314 N PRO C 87 -11.289 3.020 -0.254 1.00 0.00 N ATOM 1315 CA PRO C 87 -11.873 1.698 -0.036 1.00 0.00 C ATOM 1316 C PRO C 87 -11.209 0.623 -0.894 1.00 0.00 C ATOM 1317 O PRO C 87 -10.713 -0.379 -0.376 1.00 0.00 O ATOM 1318 CB PRO C 87 -13.329 1.905 -0.448 1.00 0.00 C ATOM 1319 CG PRO C 87 -13.259 2.921 -1.535 1.00 0.00 C ATOM 1320 CD PRO C 87 -12.104 3.828 -1.186 1.00 0.00 C ATOM 0 HA PRO C 87 -11.749 1.347 0.988 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -13.780 0.977 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -13.934 2.257 0.388 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.103 2.446 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.190 3.484 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -11.536 4.111 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -12.447 4.751 -0.720 1.00 0.00 H new ATOM 1328 N TYR C 88 -11.184 0.838 -2.204 1.00 0.00 N ATOM 1329 CA TYR C 88 -10.549 -0.099 -3.102 1.00 0.00 C ATOM 1330 C TYR C 88 -9.260 0.497 -3.626 1.00 0.00 C ATOM 1331 O TYR C 88 -9.263 1.304 -4.557 1.00 0.00 O ATOM 1332 CB TYR C 88 -11.474 -0.474 -4.263 1.00 0.00 C ATOM 1333 CG TYR C 88 -10.875 -1.475 -5.234 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -10.842 -2.834 -4.936 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -10.348 -1.061 -6.452 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -10.298 -3.746 -5.822 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -9.803 -1.968 -7.341 1.00 0.00 C ATOM 1338 CZ TYR C 88 -9.780 -3.308 -7.023 1.00 0.00 C ATOM 1339 OH TYR C 88 -9.237 -4.215 -7.912 1.00 0.00 O ATOM 0 H TYR C 88 -11.596 1.652 -2.660 1.00 0.00 H new ATOM 0 HA TYR C 88 -10.329 -1.012 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.399 -0.885 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -11.740 0.431 -4.809 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.248 -3.182 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -10.365 -0.012 -6.708 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -10.279 -4.797 -5.574 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -9.397 -1.627 -8.282 1.00 0.00 H new ATOM 0 HH TYR C 88 -8.468 -3.810 -8.364 1.00 0.00 H new ATOM 1349 N ILE C 89 -8.161 0.103 -3.018 1.00 0.00 N ATOM 1350 CA ILE C 89 -6.863 0.598 -3.415 1.00 0.00 C ATOM 1351 C ILE C 89 -5.971 -0.540 -3.873 1.00 0.00 C ATOM 1352 O ILE C 89 -5.756 -1.517 -3.157 1.00 0.00 O ATOM 1353 CB ILE C 89 -6.170 1.377 -2.282 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -6.129 0.544 -1.002 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.874 2.702 -2.037 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -5.435 1.248 0.138 1.00 0.00 C ATOM 0 H ILE C 89 -8.143 -0.561 -2.244 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.027 1.285 -4.245 1.00 0.00 H new ATOM 0 HB ILE C 89 -5.144 1.585 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -7.148 0.297 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -5.619 -0.398 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.370 3.238 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -6.847 3.302 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -7.911 2.517 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -5.438 0.605 1.018 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -4.406 1.471 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -5.958 2.177 0.365 1.00 0.00 H new ATOM 1368 N GLU C 90 -5.479 -0.415 -5.084 1.00 0.00 N ATOM 1369 CA GLU C 90 -4.595 -1.406 -5.646 1.00 0.00 C ATOM 1370 C GLU C 90 -3.157 -0.999 -5.436 1.00 0.00 C ATOM 1371 O GLU C 90 -2.650 -0.091 -6.094 1.00 0.00 O ATOM 1372 CB GLU C 90 -4.872 -1.579 -7.125 1.00 0.00 C ATOM 1373 CG GLU C 90 -6.302 -1.992 -7.411 1.00 0.00 C ATOM 1374 CD GLU C 90 -6.540 -2.285 -8.870 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.027 -3.389 -9.181 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -6.219 -1.425 -9.713 1.00 0.00 O1- ATOM 0 H GLU C 90 -5.679 0.371 -5.702 1.00 0.00 H new ATOM 0 HA GLU C 90 -4.772 -2.356 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -4.659 -0.643 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.194 -2.329 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -6.545 -2.876 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -6.977 -1.199 -7.089 1.00 0.00 H new ATOM 1383 N ILE C 91 -2.515 -1.659 -4.502 1.00 0.00 N ATOM 1384 CA ILE C 91 -1.134 -1.383 -4.196 1.00 0.00 C ATOM 1385 C ILE C 91 -0.241 -2.386 -4.928 1.00 0.00 C ATOM 1386 O ILE C 91 -0.098 -3.532 -4.503 1.00 0.00 O ATOM 1387 CB ILE C 91 -0.905 -1.438 -2.662 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.884 -0.495 -1.951 1.00 0.00 C ATOM 1389 CG2 ILE C 91 0.527 -1.088 -2.288 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.486 -0.155 -0.529 1.00 0.00 C ATOM 0 H ILE C 91 -2.933 -2.398 -3.936 1.00 0.00 H new ATOM 0 HA ILE C 91 -0.876 -0.379 -4.534 1.00 0.00 H new ATOM 0 HB ILE C 91 -1.086 -2.463 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -1.966 0.428 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -2.873 -0.954 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE C 91 0.643 -1.139 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE C 91 1.209 -1.795 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.756 -0.079 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.227 0.515 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.432 -1.069 0.062 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.512 0.334 -0.531 1.00 0.00 H new ATOM 1402 N LYS C 92 0.326 -1.953 -6.058 1.00 0.00 N ATOM 1403 CA LYS C 92 1.228 -2.789 -6.845 1.00 0.00 C ATOM 1404 C LYS C 92 2.005 -1.909 -7.817 1.00 0.00 C ATOM 1405 O LYS C 92 1.500 -0.886 -8.276 1.00 0.00 O ATOM 1406 CB LYS C 92 0.470 -3.881 -7.617 1.00 0.00 C ATOM 1407 CG LYS C 92 -0.069 -3.446 -8.975 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.483 -2.891 -8.895 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.075 -2.736 -10.286 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.537 -2.461 -10.257 1.00 0.00 N1+ ATOM 0 H LYS C 92 0.173 -1.023 -6.447 1.00 0.00 H new ATOM 0 HA LYS C 92 1.913 -3.290 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS C 92 1.135 -4.732 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -0.363 -4.227 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS C 92 0.591 -2.688 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -0.055 -4.297 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.108 -3.557 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -1.473 -1.926 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.566 -1.924 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.891 -3.645 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.891 -2.364 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -4.029 -3.247 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.714 -1.579 -9.734 1.00 0.00 H new ATOM 1424 N GLN C 93 3.234 -2.292 -8.122 1.00 0.00 N ATOM 1425 CA GLN C 93 4.063 -1.488 -9.003 1.00 0.00 C ATOM 1426 C GLN C 93 3.652 -1.669 -10.457 1.00 0.00 C ATOM 1427 O GLN C 93 2.935 -2.608 -10.808 1.00 0.00 O ATOM 1428 CB GLN C 93 5.552 -1.782 -8.784 1.00 0.00 C ATOM 1429 CG GLN C 93 5.950 -3.240 -8.956 1.00 0.00 C ATOM 1430 CD GLN C 93 6.231 -3.606 -10.401 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.984 -4.735 -10.827 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.785 -2.668 -11.157 1.00 0.00 N ATOM 0 H GLN C 93 3.675 -3.144 -7.777 1.00 0.00 H new ATOM 0 HA GLN C 93 3.905 -0.439 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN C 93 6.133 -1.178 -9.481 1.00 0.00 H new ATOM 0 HB3 GLN C 93 5.826 -1.462 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN C 93 6.837 -3.443 -8.355 1.00 0.00 H new ATOM 0 HG3 GLN C 93 5.153 -3.877 -8.573 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.974 -1.745 -10.767 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.022 -2.870 -12.128 1.00 0.00 H new ATOM 1441 N ILE C 94 4.130 -0.771 -11.294 1.00 0.00 N ATOM 1442 CA ILE C 94 3.624 -0.620 -12.645 1.00 0.00 C ATOM 1443 C ILE C 94 4.701 -0.888 -13.687 1.00 0.00 C ATOM 1444 O ILE C 94 5.357 -1.945 -13.606 1.00 0.00 O ATOM 1445 CB ILE C 94 3.067 0.807 -12.812 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.937 1.798 -12.014 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.621 0.864 -12.362 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.218 3.042 -11.545 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.882 -0.049 -14.593 1.00 0.00 O ATOM 0 H ILE C 94 4.882 -0.124 -11.057 1.00 0.00 H new ATOM 0 HA ILE C 94 2.834 -1.354 -12.803 1.00 0.00 H new ATOM 0 HB ILE C 94 3.099 1.087 -13.865 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.345 1.282 -11.145 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.783 2.097 -12.633 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.241 1.878 -12.486 1.00 0.00 H new ATOM 0 HG22 ILE C 94 1.025 0.177 -12.964 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.555 0.577 -11.312 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.911 3.677 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.834 3.587 -12.407 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.389 2.760 -10.895 1.00 0.00 H new