USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 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= -4.73! K(o=-18!,f=-4.6) USER MOD Set 1.2: C 80 ASN : amide:sc= -13.7! C(o=-18!,f=-4.6!) USER MOD Set 2.1: C 71 THR OG1 : rot -140:sc= 0.763 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.844 X(o=1.6,f=1.9) USER MOD Set 3.1: C 35 GLN : amide:sc= -0.307 X(o=-3.1,f=-2.7) USER MOD Set 3.2: C 83 ASN : amide:sc= -2.79! C(o=-3.1!,f=-2.2!) USER MOD Set 4.1: C 19 LYS NZ :NH3+ -178:sc= 1.03 (180deg=-0.119) USER MOD Set 4.2: C 93 GLN : amide:sc= 0.268! C(o=1.3!,f=-6.3!) USER MOD Set 5.1: C 9 GLN : amide:sc= -0.59 X(o=-3.1,f=-3) USER MOD Set 5.2: C 31 MET CE :methyl 169:sc= -2.47! (180deg=-2.83) USER MOD Single : C 10 MET CE :methyl 157:sc= -1.71! (180deg=-3.24!) USER MOD Single : C 11 ASN : amide:sc=-0.00617 K(o=-0.0062,f=-1) USER MOD Single : C 12 SER OG : rot 180:sc= 0.00382 USER MOD Single : C 14 ASN : amide:sc= -0.512 K(o=-0.51,f=-5.1!) USER MOD Single : C 15 SER OG : rot 73:sc= 0.825 USER MOD Single : C 17 ASN : amide:sc= -0.0312 K(o=-0.031,f=-6.8!) USER MOD Single : C 21 ASN : amide:sc= 0.0493 K(o=0.049,f=-3.3!) USER MOD Single : C 22 LYS NZ :NH3+ 164:sc= -6.67! (180deg=-7.48!) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 LYS NZ :NH3+ -174:sc= 1.05 (180deg=1.01) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 32 ASN : amide:sc=-0.00921 X(o=-0.0092,f=-0.029) USER MOD Single : C 34 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.38) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 40 SER OG : rot 30:sc= -0.244 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.149) USER MOD Single : C 53 ASN : amide:sc= -3.34! C(o=-3.3!,f=-2.6!) USER MOD Single : C 59 ASN : amide:sc= -0.0807 K(o=-0.081,f=-4.6!) USER MOD Single : C 62 LYS NZ :NH3+ -151:sc= -0.989 (180deg=-2.48!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 70:sc= -0.0623 USER MOD Single : C 67 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : C 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 70 SER OG : rot 89:sc=0.000819 USER MOD Single : C 76 SER OG : rot 61:sc= 0.773 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.075 -4.635 -0.829 1.00 0.00 N ATOM 126 CA GLN C 9 -10.437 -4.699 0.486 1.00 0.00 C ATOM 127 C GLN C 9 -10.207 -6.149 0.905 1.00 0.00 C ATOM 128 O GLN C 9 -9.958 -6.432 2.076 1.00 0.00 O ATOM 129 CB GLN C 9 -11.282 -3.993 1.561 1.00 0.00 C ATOM 130 CG GLN C 9 -11.285 -2.469 1.494 1.00 0.00 C ATOM 131 CD GLN C 9 -12.078 -1.908 0.329 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.283 -1.686 0.431 1.00 0.00 O ATOM 133 NE2 GLN C 9 -11.403 -1.637 -0.773 1.00 0.00 N ATOM 0 HA GLN C 9 -9.479 -4.186 0.401 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.310 -4.345 1.480 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.917 -4.296 2.543 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.695 -2.075 2.424 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.256 -2.116 1.424 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -10.404 -1.835 -0.821 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -11.881 -1.230 -1.577 1.00 0.00 H new ATOM 142 N MET C 10 -10.293 -7.062 -0.051 1.00 0.00 N ATOM 143 CA MET C 10 -10.171 -8.484 0.241 1.00 0.00 C ATOM 144 C MET C 10 -8.878 -9.072 -0.320 1.00 0.00 C ATOM 145 O MET C 10 -7.880 -8.368 -0.453 1.00 0.00 O ATOM 146 CB MET C 10 -11.389 -9.236 -0.306 1.00 0.00 C ATOM 147 CG MET C 10 -12.356 -9.735 0.762 1.00 0.00 C ATOM 148 SD MET C 10 -11.780 -11.225 1.615 1.00 0.00 S ATOM 149 CE MET C 10 -10.536 -10.572 2.729 1.00 0.00 C ATOM 0 H MET C 10 -10.447 -6.844 -1.036 1.00 0.00 H new ATOM 0 HA MET C 10 -10.134 -8.602 1.324 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.929 -8.580 -0.989 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.042 -10.088 -0.890 1.00 0.00 H new ATOM 0 HG2 MET C 10 -12.515 -8.944 1.495 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.322 -9.940 0.300 1.00 0.00 H new ATOM 0 HE1 MET C 10 -10.400 -11.258 3.565 1.00 0.00 H new ATOM 0 HE2 MET C 10 -9.593 -10.459 2.195 1.00 0.00 H new ATOM 0 HE3 MET C 10 -10.858 -9.601 3.106 1.00 0.00 H new ATOM 159 N ASN C 11 -8.909 -10.371 -0.634 1.00 0.00 N ATOM 160 CA ASN C 11 -7.732 -11.117 -1.094 1.00 0.00 C ATOM 161 C ASN C 11 -6.918 -10.365 -2.142 1.00 0.00 C ATOM 162 O ASN C 11 -5.697 -10.483 -2.169 1.00 0.00 O ATOM 163 CB ASN C 11 -8.152 -12.481 -1.650 1.00 0.00 C ATOM 164 CG ASN C 11 -8.588 -13.446 -0.562 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.093 -13.399 0.562 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.519 -14.328 -0.888 1.00 0.00 N ATOM 0 H ASN C 11 -9.755 -10.938 -0.576 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.090 -11.248 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.969 -12.344 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.320 -12.915 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.850 -15.000 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -9.906 -14.336 -1.832 1.00 0.00 H new ATOM 173 N SER C 12 -7.586 -9.589 -2.988 1.00 0.00 N ATOM 174 CA SER C 12 -6.908 -8.804 -4.020 1.00 0.00 C ATOM 175 C SER C 12 -5.759 -7.978 -3.436 1.00 0.00 C ATOM 176 O SER C 12 -4.639 -8.007 -3.950 1.00 0.00 O ATOM 177 CB SER C 12 -7.909 -7.881 -4.709 1.00 0.00 C ATOM 178 OG SER C 12 -9.053 -8.602 -5.132 1.00 0.00 O ATOM 0 H SER C 12 -8.601 -9.485 -2.981 1.00 0.00 H new ATOM 0 HA SER C 12 -6.486 -9.499 -4.746 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.207 -7.086 -4.025 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.438 -7.403 -5.568 1.00 0.00 H new ATOM 0 HG SER C 12 -9.682 -7.991 -5.569 1.00 0.00 H new ATOM 184 N ILE C 13 -6.032 -7.263 -2.350 1.00 0.00 N ATOM 185 CA ILE C 13 -5.022 -6.424 -1.721 1.00 0.00 C ATOM 186 C ILE C 13 -4.179 -7.238 -0.740 1.00 0.00 C ATOM 187 O ILE C 13 -3.010 -6.938 -0.506 1.00 0.00 O ATOM 188 CB ILE C 13 -5.659 -5.215 -0.990 1.00 0.00 C ATOM 189 CG1 ILE C 13 -4.579 -4.327 -0.367 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.641 -5.674 0.077 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.141 -3.212 0.484 1.00 0.00 C ATOM 0 H ILE C 13 -6.942 -7.248 -1.889 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.379 -6.042 -2.514 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.207 -4.632 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -3.919 -4.943 0.243 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -3.969 -3.897 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.072 -4.804 0.573 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.436 -6.258 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.120 -6.289 0.811 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -4.323 -2.621 0.895 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.779 -2.574 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.727 -3.636 1.299 1.00 0.00 H new ATOM 203 N ASN C 14 -4.767 -8.283 -0.180 1.00 0.00 N ATOM 204 CA ASN C 14 -4.069 -9.121 0.790 1.00 0.00 C ATOM 205 C ASN C 14 -2.970 -9.929 0.120 1.00 0.00 C ATOM 206 O ASN C 14 -1.919 -10.154 0.708 1.00 0.00 O ATOM 207 CB ASN C 14 -5.033 -10.066 1.489 1.00 0.00 C ATOM 208 CG ASN C 14 -6.035 -9.353 2.382 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.393 -8.199 2.151 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.499 -10.039 3.411 1.00 0.00 N ATOM 0 H ASN C 14 -5.725 -8.573 -0.378 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.623 -8.457 1.530 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.573 -10.643 0.738 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.464 -10.776 2.089 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.176 -9.613 4.044 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -6.180 -10.994 3.573 1.00 0.00 H new ATOM 217 N SER C 15 -3.209 -10.366 -1.111 1.00 0.00 N ATOM 218 CA SER C 15 -2.183 -11.062 -1.874 1.00 0.00 C ATOM 219 C SER C 15 -1.013 -10.123 -2.132 1.00 0.00 C ATOM 220 O SER C 15 0.137 -10.550 -2.226 1.00 0.00 O ATOM 221 CB SER C 15 -2.759 -11.590 -3.186 1.00 0.00 C ATOM 222 OG SER C 15 -3.832 -12.482 -2.934 1.00 0.00 O ATOM 0 H SER C 15 -4.098 -10.251 -1.598 1.00 0.00 H new ATOM 0 HA SER C 15 -1.826 -11.916 -1.299 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.106 -10.758 -3.798 1.00 0.00 H new ATOM 0 HB3 SER C 15 -1.980 -12.100 -3.753 1.00 0.00 H new ATOM 0 HG SER C 15 -4.613 -11.976 -2.626 1.00 0.00 H new ATOM 228 N VAL C 16 -1.321 -8.834 -2.221 1.00 0.00 N ATOM 229 CA VAL C 16 -0.298 -7.808 -2.292 1.00 0.00 C ATOM 230 C VAL C 16 0.370 -7.655 -0.930 1.00 0.00 C ATOM 231 O VAL C 16 1.576 -7.447 -0.848 1.00 0.00 O ATOM 232 CB VAL C 16 -0.880 -6.453 -2.751 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.181 -5.365 -2.730 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.471 -6.580 -4.144 1.00 0.00 C ATOM 0 H VAL C 16 -2.276 -8.478 -2.245 1.00 0.00 H new ATOM 0 HA VAL C 16 0.440 -8.118 -3.032 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.669 -6.171 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.258 -4.423 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.567 -5.253 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.996 -5.638 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.878 -5.618 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.693 -6.889 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.267 -7.325 -4.135 1.00 0.00 H new ATOM 244 N ASN C 17 -0.410 -7.807 0.142 1.00 0.00 N ATOM 245 CA ASN C 17 0.147 -7.744 1.493 1.00 0.00 C ATOM 246 C ASN C 17 1.163 -8.863 1.686 1.00 0.00 C ATOM 247 O ASN C 17 2.237 -8.651 2.246 1.00 0.00 O ATOM 248 CB ASN C 17 -0.952 -7.854 2.557 1.00 0.00 C ATOM 249 CG ASN C 17 -1.585 -6.519 2.902 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.132 -5.825 3.807 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.634 -6.146 2.185 1.00 0.00 N ATOM 0 H ASN C 17 -1.416 -7.972 0.102 1.00 0.00 H new ATOM 0 HA ASN C 17 0.637 -6.778 1.610 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.726 -8.535 2.202 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.531 -8.294 3.461 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.093 -5.256 2.378 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.983 -6.749 1.440 1.00 0.00 H new ATOM 258 N ASP C 18 0.817 -10.048 1.192 1.00 0.00 N ATOM 259 CA ASP C 18 1.703 -11.211 1.251 1.00 0.00 C ATOM 260 C ASP C 18 2.901 -11.038 0.325 1.00 0.00 C ATOM 261 O ASP C 18 3.953 -11.640 0.536 1.00 0.00 O ATOM 262 CB ASP C 18 0.946 -12.490 0.869 1.00 0.00 C ATOM 263 CG ASP C 18 -0.023 -12.951 1.939 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.237 -12.686 1.813 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.424 -13.593 2.912 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.080 -10.231 0.742 1.00 0.00 H new ATOM 0 HA ASP C 18 2.061 -11.297 2.277 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.399 -12.318 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.665 -13.285 0.672 1.00 0.00 H new ATOM 270 N LYS C 19 2.740 -10.212 -0.700 1.00 0.00 N ATOM 271 CA LYS C 19 3.800 -9.987 -1.674 1.00 0.00 C ATOM 272 C LYS C 19 4.780 -8.957 -1.140 1.00 0.00 C ATOM 273 O LYS C 19 5.973 -8.991 -1.437 1.00 0.00 O ATOM 274 CB LYS C 19 3.212 -9.502 -3.005 1.00 0.00 C ATOM 275 CG LYS C 19 4.254 -9.311 -4.097 1.00 0.00 C ATOM 276 CD LYS C 19 3.641 -8.775 -5.380 1.00 0.00 C ATOM 277 CE LYS C 19 4.667 -8.724 -6.504 1.00 0.00 C ATOM 278 NZ LYS C 19 5.832 -7.857 -6.174 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.885 -9.686 -0.879 1.00 0.00 H new ATOM 0 HA LYS C 19 4.322 -10.929 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.467 -10.220 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.693 -8.558 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.024 -8.623 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.746 -10.263 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.804 -9.407 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.240 -7.777 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS C 19 5.018 -9.734 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.189 -8.355 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 6.484 -7.829 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 5.500 -6.894 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 6.327 -8.242 -5.344 1.00 0.00 H new ATOM 292 N LEU C 20 4.254 -8.040 -0.352 1.00 0.00 N ATOM 293 CA LEU C 20 5.044 -6.973 0.225 1.00 0.00 C ATOM 294 C LEU C 20 5.714 -7.435 1.509 1.00 0.00 C ATOM 295 O LEU C 20 6.819 -7.003 1.835 1.00 0.00 O ATOM 296 CB LEU C 20 4.146 -5.771 0.478 1.00 0.00 C ATOM 297 CG LEU C 20 3.530 -5.163 -0.788 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.606 -4.015 -0.429 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.623 -4.704 -1.746 1.00 0.00 C ATOM 0 H LEU C 20 3.267 -8.015 -0.094 1.00 0.00 H new ATOM 0 HA LEU C 20 5.833 -6.688 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.342 -6.069 1.152 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.724 -5.003 0.991 1.00 0.00 H new ATOM 0 HG LEU C 20 2.940 -5.929 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.177 -3.595 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.805 -4.380 0.214 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.170 -3.244 0.096 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.168 -4.275 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.243 -3.952 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.241 -5.556 -2.028 1.00 0.00 H new ATOM 311 N ASN C 21 5.038 -8.311 2.237 1.00 0.00 N ATOM 312 CA ASN C 21 5.641 -8.983 3.379 1.00 0.00 C ATOM 313 C ASN C 21 6.525 -10.114 2.865 1.00 0.00 C ATOM 314 O ASN C 21 6.143 -11.283 2.881 1.00 0.00 O ATOM 315 CB ASN C 21 4.558 -9.511 4.335 1.00 0.00 C ATOM 316 CG ASN C 21 3.997 -8.429 5.251 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.481 -8.235 6.366 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.976 -7.714 4.796 1.00 0.00 N ATOM 0 H ASN C 21 4.069 -8.574 2.057 1.00 0.00 H new ATOM 0 HA ASN C 21 6.250 -8.278 3.945 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.745 -9.944 3.752 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.977 -10.313 4.943 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.570 -6.979 5.375 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.597 -7.899 3.867 1.00 0.00 H new ATOM 325 N LYS C 22 7.712 -9.739 2.398 1.00 0.00 N ATOM 326 CA LYS C 22 8.544 -10.630 1.597 1.00 0.00 C ATOM 327 C LYS C 22 9.917 -10.916 2.220 1.00 0.00 C ATOM 328 O LYS C 22 10.770 -11.535 1.587 1.00 0.00 O ATOM 329 CB LYS C 22 8.697 -10.019 0.197 1.00 0.00 C ATOM 330 CG LYS C 22 9.010 -8.523 0.211 1.00 0.00 C ATOM 331 CD LYS C 22 10.494 -8.254 0.084 1.00 0.00 C ATOM 332 CE LYS C 22 10.967 -7.160 1.024 1.00 0.00 C ATOM 333 NZ LYS C 22 12.405 -6.910 0.812 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.121 -8.819 2.562 1.00 0.00 H new ATOM 0 HA LYS C 22 8.045 -11.598 1.546 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.492 -10.543 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.777 -10.184 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.481 -8.034 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.640 -8.084 1.137 1.00 0.00 H new ATOM 0 HD2 LYS C 22 11.046 -9.171 0.291 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.722 -7.970 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.399 -6.246 0.849 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.788 -7.453 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 12.667 -6.001 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 12.958 -7.674 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 12.605 -6.879 -0.208 1.00 0.00 H new ATOM 347 N GLY C 23 10.138 -10.461 3.445 1.00 0.00 N ATOM 348 CA GLY C 23 11.387 -10.754 4.131 1.00 0.00 C ATOM 349 C GLY C 23 11.968 -9.515 4.766 1.00 0.00 C ATOM 350 O GLY C 23 11.867 -9.322 5.979 1.00 0.00 O ATOM 0 H GLY C 23 9.478 -9.895 3.978 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.215 -11.511 4.896 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.103 -11.173 3.424 1.00 0.00 H new ATOM 354 N LYS C 24 12.555 -8.667 3.936 1.00 0.00 N ATOM 355 CA LYS C 24 12.980 -7.336 4.361 1.00 0.00 C ATOM 356 C LYS C 24 11.751 -6.452 4.475 1.00 0.00 C ATOM 357 O LYS C 24 10.647 -6.966 4.602 1.00 0.00 O ATOM 358 CB LYS C 24 13.978 -6.709 3.380 1.00 0.00 C ATOM 359 CG LYS C 24 15.416 -7.160 3.551 1.00 0.00 C ATOM 360 CD LYS C 24 16.355 -6.193 2.851 1.00 0.00 C ATOM 361 CE LYS C 24 17.785 -6.703 2.822 1.00 0.00 C ATOM 362 NZ LYS C 24 18.394 -6.746 4.177 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.750 -8.876 2.957 1.00 0.00 H new ATOM 0 HA LYS C 24 13.485 -7.426 5.323 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.659 -6.940 2.364 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.938 -5.625 3.488 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.664 -7.216 4.611 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.542 -8.162 3.141 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.009 -6.028 1.831 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.325 -5.229 3.358 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.804 -7.702 2.385 1.00 0.00 H new ATOM 0 HE3 LYS C 24 18.385 -6.061 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 19.369 -7.100 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.401 -5.789 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.838 -7.379 4.787 1.00 0.00 H new ATOM 376 N GLY C 25 11.943 -5.140 4.412 1.00 0.00 N ATOM 377 CA GLY C 25 10.848 -4.205 4.622 1.00 0.00 C ATOM 378 C GLY C 25 9.562 -4.587 3.949 1.00 0.00 C ATOM 379 O GLY C 25 9.557 -5.126 2.843 1.00 0.00 O ATOM 0 H GLY C 25 12.844 -4.702 4.218 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.668 -4.111 5.693 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.153 -3.222 4.263 1.00 0.00 H new ATOM 383 N LYS C 26 8.467 -4.289 4.615 1.00 0.00 N ATOM 384 CA LYS C 26 7.190 -4.814 4.205 1.00 0.00 C ATOM 385 C LYS C 26 6.041 -3.892 4.576 1.00 0.00 C ATOM 386 O LYS C 26 6.071 -3.240 5.618 1.00 0.00 O ATOM 387 CB LYS C 26 7.045 -6.177 4.850 1.00 0.00 C ATOM 388 CG LYS C 26 7.217 -6.164 6.361 1.00 0.00 C ATOM 389 CD LYS C 26 7.493 -7.560 6.901 1.00 0.00 C ATOM 390 CE LYS C 26 8.836 -8.069 6.413 1.00 0.00 C ATOM 391 NZ LYS C 26 9.329 -9.224 7.207 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.439 -3.688 5.439 1.00 0.00 H new ATOM 0 HA LYS C 26 7.151 -4.896 3.119 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.061 -6.579 4.609 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.781 -6.854 4.416 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.038 -5.500 6.629 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.317 -5.763 6.828 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.479 -7.543 7.991 1.00 0.00 H new ATOM 0 HD3 LYS C 26 6.703 -8.241 6.583 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.752 -8.361 5.366 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.566 -7.261 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.292 -9.470 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.340 -8.972 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.701 -10.040 7.060 1.00 0.00 H new ATOM 405 N LEU C 27 5.034 -3.842 3.714 1.00 0.00 N ATOM 406 CA LEU C 27 3.881 -2.980 3.927 1.00 0.00 C ATOM 407 C LEU C 27 2.704 -3.800 4.437 1.00 0.00 C ATOM 408 O LEU C 27 2.444 -4.896 3.941 1.00 0.00 O ATOM 409 CB LEU C 27 3.448 -2.270 2.626 1.00 0.00 C ATOM 410 CG LEU C 27 4.515 -1.443 1.899 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.496 -2.336 1.147 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.856 -0.460 0.944 1.00 0.00 C ATOM 0 H LEU C 27 4.994 -4.392 2.856 1.00 0.00 H new ATOM 0 HA LEU C 27 4.174 -2.228 4.660 1.00 0.00 H new ATOM 0 HB2 LEU C 27 3.076 -3.026 1.935 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.611 -1.613 2.861 1.00 0.00 H new ATOM 0 HG LEU C 27 5.078 -0.888 2.649 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.239 -1.717 0.643 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.996 -3.001 1.851 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.956 -2.928 0.408 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.624 0.122 0.434 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.266 -1.007 0.209 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.205 0.211 1.504 1.00 0.00 H new ATOM 424 N SER C 28 2.006 -3.274 5.425 1.00 0.00 N ATOM 425 CA SER C 28 0.780 -3.891 5.899 1.00 0.00 C ATOM 426 C SER C 28 -0.389 -2.947 5.628 1.00 0.00 C ATOM 427 O SER C 28 -0.611 -1.999 6.379 1.00 0.00 O ATOM 428 CB SER C 28 0.878 -4.181 7.398 1.00 0.00 C ATOM 429 OG SER C 28 -0.169 -5.036 7.828 1.00 0.00 O ATOM 0 H SER C 28 2.267 -2.419 5.917 1.00 0.00 H new ATOM 0 HA SER C 28 0.622 -4.833 5.374 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.841 -4.642 7.619 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.838 -3.245 7.955 1.00 0.00 H new ATOM 0 HG SER C 28 -0.080 -5.205 8.789 1.00 0.00 H new ATOM 435 N LEU C 29 -1.131 -3.200 4.562 1.00 0.00 N ATOM 436 CA LEU C 29 -2.182 -2.292 4.126 1.00 0.00 C ATOM 437 C LEU C 29 -3.490 -2.581 4.828 1.00 0.00 C ATOM 438 O LEU C 29 -3.960 -3.721 4.848 1.00 0.00 O ATOM 439 CB LEU C 29 -2.394 -2.388 2.613 1.00 0.00 C ATOM 440 CG LEU C 29 -1.159 -2.168 1.728 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.307 -1.019 2.238 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.330 -3.436 1.596 1.00 0.00 C ATOM 0 H LEU C 29 -1.025 -4.031 3.980 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.859 -1.284 4.384 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.802 -3.373 2.389 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.151 -1.657 2.328 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.522 -1.903 0.735 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.559 -0.891 1.588 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.897 -0.102 2.241 1.00 0.00 H new ATOM 0 HD13 LEU C 29 0.030 -1.237 3.251 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.535 -3.241 0.963 1.00 0.00 H new ATOM 0 HD22 LEU C 29 0.007 -3.755 2.582 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.937 -4.223 1.148 1.00 0.00 H new ATOM 454 N SER C 30 -4.076 -1.550 5.413 1.00 0.00 N ATOM 455 CA SER C 30 -5.394 -1.676 5.982 1.00 0.00 C ATOM 456 C SER C 30 -6.210 -0.410 5.744 1.00 0.00 C ATOM 457 O SER C 30 -5.750 0.701 6.022 1.00 0.00 O ATOM 458 CB SER C 30 -5.304 -1.977 7.478 1.00 0.00 C ATOM 459 OG SER C 30 -4.526 -3.140 7.718 1.00 0.00 O ATOM 0 H SER C 30 -3.658 -0.624 5.503 1.00 0.00 H new ATOM 0 HA SER C 30 -5.899 -2.507 5.489 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.863 -1.127 7.998 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.305 -2.115 7.886 1.00 0.00 H new ATOM 0 HG SER C 30 -4.482 -3.311 8.682 1.00 0.00 H new ATOM 465 N MET C 31 -7.414 -0.586 5.213 1.00 0.00 N ATOM 466 CA MET C 31 -8.321 0.531 4.977 1.00 0.00 C ATOM 467 C MET C 31 -9.348 0.584 6.093 1.00 0.00 C ATOM 468 O MET C 31 -10.074 -0.388 6.320 1.00 0.00 O ATOM 469 CB MET C 31 -9.041 0.375 3.633 1.00 0.00 C ATOM 470 CG MET C 31 -8.136 -0.066 2.496 1.00 0.00 C ATOM 471 SD MET C 31 -8.999 -0.164 0.918 1.00 0.00 S ATOM 472 CE MET C 31 -7.796 -1.056 -0.059 1.00 0.00 C ATOM 0 H MET C 31 -7.786 -1.495 4.937 1.00 0.00 H new ATOM 0 HA MET C 31 -7.740 1.453 4.954 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.846 -0.351 3.746 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.504 1.326 3.368 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.304 0.633 2.408 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.710 -1.041 2.733 1.00 0.00 H new ATOM 0 HE1 MET C 31 -8.251 -1.369 -0.999 1.00 0.00 H new ATOM 0 HE2 MET C 31 -6.944 -0.409 -0.266 1.00 0.00 H new ATOM 0 HE3 MET C 31 -7.459 -1.934 0.492 1.00 0.00 H new ATOM 482 N ASN C 32 -9.411 1.706 6.792 1.00 0.00 N ATOM 483 CA ASN C 32 -10.298 1.831 7.939 1.00 0.00 C ATOM 484 C ASN C 32 -11.074 3.141 7.888 1.00 0.00 C ATOM 485 O ASN C 32 -10.612 4.165 8.395 1.00 0.00 O ATOM 486 CB ASN C 32 -9.501 1.751 9.249 1.00 0.00 C ATOM 487 CG ASN C 32 -8.677 0.481 9.363 1.00 0.00 C ATOM 488 OD1 ASN C 32 -7.503 0.454 8.993 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.286 -0.582 9.864 1.00 0.00 N ATOM 0 H ASN C 32 -8.861 2.540 6.587 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.007 1.004 7.903 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -8.840 2.615 9.319 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.190 1.808 10.092 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -8.781 -1.464 9.955 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.260 -0.520 10.160 1.00 0.00 H new ATOM 496 N GLY C 33 -12.251 3.097 7.274 1.00 0.00 N ATOM 497 CA GLY C 33 -13.127 4.256 7.216 1.00 0.00 C ATOM 498 C GLY C 33 -12.483 5.460 6.544 1.00 0.00 C ATOM 499 O GLY C 33 -12.275 5.457 5.331 1.00 0.00 O ATOM 0 H GLY C 33 -12.619 2.267 6.809 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.036 3.990 6.677 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.425 4.529 8.228 1.00 0.00 H new ATOM 503 N ASN C 34 -12.146 6.483 7.327 1.00 0.00 N ATOM 504 CA ASN C 34 -11.563 7.711 6.791 1.00 0.00 C ATOM 505 C ASN C 34 -10.045 7.641 6.806 1.00 0.00 C ATOM 506 O ASN C 34 -9.367 8.667 6.786 1.00 0.00 O ATOM 507 CB ASN C 34 -11.993 8.920 7.627 1.00 0.00 C ATOM 508 CG ASN C 34 -11.546 8.818 9.079 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.339 8.491 9.962 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.259 9.033 9.327 1.00 0.00 N ATOM 0 H ASN C 34 -12.268 6.485 8.340 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.918 7.819 5.766 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.579 9.827 7.186 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.078 9.014 7.591 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -9.898 8.928 10.275 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.632 9.303 8.569 1.00 0.00 H new ATOM 517 N GLN C 35 -9.512 6.444 6.849 1.00 0.00 N ATOM 518 CA GLN C 35 -8.101 6.266 7.087 1.00 0.00 C ATOM 519 C GLN C 35 -7.527 5.120 6.280 1.00 0.00 C ATOM 520 O GLN C 35 -8.156 4.075 6.105 1.00 0.00 O ATOM 521 CB GLN C 35 -7.847 6.006 8.572 1.00 0.00 C ATOM 522 CG GLN C 35 -6.417 5.593 8.872 1.00 0.00 C ATOM 523 CD GLN C 35 -6.223 5.169 10.312 1.00 0.00 C ATOM 524 OE1 GLN C 35 -5.891 5.984 11.173 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.436 3.892 10.587 1.00 0.00 N ATOM 0 H GLN C 35 -10.035 5.578 6.722 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.605 7.185 6.774 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.084 6.907 9.138 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.524 5.225 8.918 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.135 4.771 8.214 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.748 6.424 8.649 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.710 3.249 9.844 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.326 3.551 11.542 1.00 0.00 H new ATOM 534 N LEU C 36 -6.326 5.342 5.794 1.00 0.00 N ATOM 535 CA LEU C 36 -5.495 4.281 5.287 1.00 0.00 C ATOM 536 C LEU C 36 -4.267 4.240 6.179 1.00 0.00 C ATOM 537 O LEU C 36 -3.606 5.257 6.361 1.00 0.00 O ATOM 538 CB LEU C 36 -5.119 4.549 3.822 1.00 0.00 C ATOM 539 CG LEU C 36 -4.552 3.359 3.020 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.171 2.951 3.510 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.499 2.173 3.085 1.00 0.00 C ATOM 0 H LEU C 36 -5.900 6.267 5.741 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.012 3.322 5.302 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.006 4.915 3.305 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.384 5.353 3.802 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.455 3.684 1.984 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.809 2.110 2.919 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.485 3.791 3.405 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.229 2.659 4.559 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -5.083 1.343 2.514 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.630 1.869 4.123 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.464 2.455 2.664 1.00 0.00 H new ATOM 553 N LYS C 37 -4.012 3.097 6.784 1.00 0.00 N ATOM 554 CA LYS C 37 -2.859 2.941 7.653 1.00 0.00 C ATOM 555 C LYS C 37 -2.070 1.723 7.197 1.00 0.00 C ATOM 556 O LYS C 37 -2.643 0.710 6.789 1.00 0.00 O ATOM 557 CB LYS C 37 -3.289 2.829 9.129 1.00 0.00 C ATOM 558 CG LYS C 37 -4.252 1.685 9.452 1.00 0.00 C ATOM 559 CD LYS C 37 -3.550 0.349 9.682 1.00 0.00 C ATOM 560 CE LYS C 37 -2.672 0.353 10.929 1.00 0.00 C ATOM 561 NZ LYS C 37 -2.338 -1.027 11.375 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.588 2.260 6.691 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.221 3.822 7.585 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.395 2.711 9.741 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.757 3.768 9.425 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.826 1.943 10.342 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.964 1.577 8.634 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -4.298 -0.439 9.772 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -2.938 0.110 8.812 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -1.752 0.901 10.724 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -3.185 0.881 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -1.740 -0.982 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.214 -1.542 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -1.826 -1.522 10.617 1.00 0.00 H new ATOM 575 N ALA C 38 -0.768 1.845 7.231 1.00 0.00 N ATOM 576 CA ALA C 38 0.113 0.809 6.743 1.00 0.00 C ATOM 577 C ALA C 38 1.423 0.866 7.489 1.00 0.00 C ATOM 578 O ALA C 38 2.132 1.869 7.441 1.00 0.00 O ATOM 579 CB ALA C 38 0.342 0.964 5.246 1.00 0.00 C ATOM 0 H ALA C 38 -0.286 2.665 7.598 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.351 -0.162 6.914 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.008 0.175 4.896 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.612 0.893 4.723 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.794 1.935 5.046 1.00 0.00 H new ATOM 585 N THR C 39 1.745 -0.204 8.174 1.00 0.00 N ATOM 586 CA THR C 39 2.965 -0.255 8.936 1.00 0.00 C ATOM 587 C THR C 39 4.033 -0.973 8.140 1.00 0.00 C ATOM 588 O THR C 39 3.736 -1.884 7.364 1.00 0.00 O ATOM 589 CB THR C 39 2.750 -0.973 10.276 1.00 0.00 C ATOM 590 OG1 THR C 39 2.204 -2.272 10.034 1.00 0.00 O ATOM 591 CG2 THR C 39 1.816 -0.178 11.175 1.00 0.00 C ATOM 0 H THR C 39 1.178 -1.051 8.218 1.00 0.00 H new ATOM 0 HA THR C 39 3.283 0.767 9.142 1.00 0.00 H new ATOM 0 HB THR C 39 3.711 -1.065 10.782 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.067 -2.734 10.888 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.680 -0.708 12.118 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.247 0.804 11.370 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.851 -0.060 10.683 1.00 0.00 H new ATOM 599 N SER C 40 5.261 -0.548 8.318 1.00 0.00 N ATOM 600 CA SER C 40 6.377 -1.165 7.642 1.00 0.00 C ATOM 601 C SER C 40 7.244 -1.880 8.658 1.00 0.00 C ATOM 602 O SER C 40 7.773 -1.261 9.584 1.00 0.00 O ATOM 603 CB SER C 40 7.188 -0.113 6.885 1.00 0.00 C ATOM 604 OG SER C 40 7.599 0.935 7.746 1.00 0.00 O ATOM 0 H SER C 40 5.514 0.228 8.930 1.00 0.00 H new ATOM 0 HA SER C 40 6.006 -1.890 6.917 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.063 -0.580 6.433 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.589 0.295 6.071 1.00 0.00 H new ATOM 0 HG SER C 40 7.715 0.586 8.654 1.00 0.00 H new ATOM 610 N SER C 41 7.371 -3.181 8.505 1.00 0.00 N ATOM 611 CA SER C 41 8.193 -3.947 9.410 1.00 0.00 C ATOM 612 C SER C 41 9.625 -3.982 8.908 1.00 0.00 C ATOM 613 O SER C 41 9.919 -3.453 7.830 1.00 0.00 O ATOM 614 CB SER C 41 7.644 -5.357 9.581 1.00 0.00 C ATOM 615 OG SER C 41 6.289 -5.330 9.989 1.00 0.00 O ATOM 0 H SER C 41 6.919 -3.724 7.769 1.00 0.00 H new ATOM 0 HA SER C 41 8.178 -3.464 10.387 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.733 -5.902 8.641 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.239 -5.895 10.319 1.00 0.00 H new ATOM 0 HG SER C 41 5.959 -6.247 10.090 1.00 0.00 H new ATOM 621 N ASN C 42 10.495 -4.616 9.696 1.00 0.00 N ATOM 622 CA ASN C 42 11.934 -4.618 9.453 1.00 0.00 C ATOM 623 C ASN C 42 12.503 -3.249 9.782 1.00 0.00 C ATOM 624 O ASN C 42 13.425 -2.770 9.132 1.00 0.00 O ATOM 625 CB ASN C 42 12.275 -5.024 8.013 1.00 0.00 C ATOM 626 CG ASN C 42 13.351 -6.088 7.948 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.539 -5.787 7.820 1.00 0.00 O ATOM 628 ND2 ASN C 42 12.947 -7.344 8.045 1.00 0.00 N ATOM 0 H ASN C 42 10.218 -5.144 10.523 1.00 0.00 H new ATOM 0 HA ASN C 42 12.389 -5.365 10.103 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.375 -5.392 7.520 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.605 -4.145 7.460 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.628 -8.103 8.015 1.00 0.00 H new ATOM 0 HD22 ASN C 42 11.954 -7.554 8.150 1.00 0.00 H new ATOM 635 N ALA C 43 11.899 -2.618 10.790 1.00 0.00 N ATOM 636 CA ALA C 43 12.375 -1.350 11.342 1.00 0.00 C ATOM 637 C ALA C 43 12.453 -0.244 10.290 1.00 0.00 C ATOM 638 O ALA C 43 13.332 0.618 10.345 1.00 0.00 O ATOM 639 CB ALA C 43 13.720 -1.551 12.017 1.00 0.00 C ATOM 0 H ALA C 43 11.061 -2.975 11.249 1.00 0.00 H new ATOM 0 HA ALA C 43 11.646 -1.021 12.083 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.068 -0.602 12.425 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.618 -2.277 12.823 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.442 -1.918 11.288 1.00 0.00 H new ATOM 645 N GLY C 44 11.539 -0.275 9.330 1.00 0.00 N ATOM 646 CA GLY C 44 11.462 0.787 8.344 1.00 0.00 C ATOM 647 C GLY C 44 12.483 0.645 7.233 1.00 0.00 C ATOM 648 O GLY C 44 12.631 1.544 6.404 1.00 0.00 O ATOM 0 H GLY C 44 10.848 -1.017 9.215 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.462 0.800 7.910 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.606 1.746 8.841 1.00 0.00 H new ATOM 652 N TYR C 45 13.202 -0.474 7.218 1.00 0.00 N ATOM 653 CA TYR C 45 14.150 -0.753 6.147 1.00 0.00 C ATOM 654 C TYR C 45 13.422 -0.897 4.822 1.00 0.00 C ATOM 655 O TYR C 45 12.250 -1.276 4.782 1.00 0.00 O ATOM 656 CB TYR C 45 14.953 -2.024 6.436 1.00 0.00 C ATOM 657 CG TYR C 45 16.189 -1.791 7.283 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.104 -1.725 8.667 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.442 -1.639 6.696 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.225 -1.516 9.442 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.569 -1.430 7.468 1.00 0.00 C ATOM 662 CZ TYR C 45 18.454 -1.369 8.840 1.00 0.00 C ATOM 663 OH TYR C 45 19.571 -1.160 9.616 1.00 0.00 O ATOM 0 H TYR C 45 13.146 -1.199 7.933 1.00 0.00 H new ATOM 0 HA TYR C 45 14.843 0.086 6.088 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.308 -2.742 6.942 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.253 -2.476 5.490 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.142 -1.839 9.145 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.535 -1.685 5.621 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.139 -1.468 10.517 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.535 -1.315 6.999 1.00 0.00 H new ATOM 0 HH TYR C 45 20.359 -1.078 9.039 1.00 0.00 H new ATOM 673 N GLY C 46 14.120 -0.580 3.744 1.00 0.00 N ATOM 674 CA GLY C 46 13.539 -0.687 2.424 1.00 0.00 C ATOM 675 C GLY C 46 13.390 -2.123 1.984 1.00 0.00 C ATOM 676 O GLY C 46 13.839 -3.043 2.676 1.00 0.00 O ATOM 0 H GLY C 46 15.084 -0.249 3.760 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.562 -0.203 2.418 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.164 -0.152 1.709 1.00 0.00 H new ATOM 680 N ILE C 47 12.755 -2.322 0.839 1.00 0.00 N ATOM 681 CA ILE C 47 12.605 -3.653 0.280 1.00 0.00 C ATOM 682 C ILE C 47 13.961 -4.247 0.013 1.00 0.00 C ATOM 683 O ILE C 47 14.375 -5.202 0.662 1.00 0.00 O ATOM 684 CB ILE C 47 11.862 -3.625 -1.055 1.00 0.00 C ATOM 685 CG1 ILE C 47 10.462 -3.019 -0.896 1.00 0.00 C ATOM 686 CG2 ILE C 47 11.802 -5.008 -1.681 1.00 0.00 C ATOM 687 CD1 ILE C 47 9.554 -3.783 0.043 1.00 0.00 C ATOM 0 H ILE C 47 12.336 -1.578 0.281 1.00 0.00 H new ATOM 0 HA ILE C 47 12.041 -4.241 1.004 1.00 0.00 H new ATOM 0 HB ILE C 47 12.423 -2.983 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.561 -1.996 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.989 -2.966 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.267 -4.955 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE C 47 12.814 -5.373 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.281 -5.690 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.585 -3.286 0.097 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.420 -4.800 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.001 -3.814 1.036 1.00 0.00 H new ATOM 699 N SER C 48 14.657 -3.674 -0.942 1.00 0.00 N ATOM 700 CA SER C 48 15.957 -4.165 -1.266 1.00 0.00 C ATOM 701 C SER C 48 16.866 -3.045 -1.752 1.00 0.00 C ATOM 702 O SER C 48 17.542 -2.400 -0.948 1.00 0.00 O ATOM 703 CB SER C 48 15.869 -5.295 -2.294 1.00 0.00 C ATOM 704 OG SER C 48 17.125 -5.917 -2.487 1.00 0.00 O ATOM 0 H SER C 48 14.342 -2.878 -1.496 1.00 0.00 H new ATOM 0 HA SER C 48 16.399 -4.571 -0.356 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.142 -6.036 -1.961 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.508 -4.898 -3.243 1.00 0.00 H new ATOM 0 HG SER C 48 17.036 -6.635 -3.148 1.00 0.00 H new ATOM 710 N TYR C 49 16.842 -2.786 -3.054 1.00 0.00 N ATOM 711 CA TYR C 49 17.769 -1.838 -3.657 1.00 0.00 C ATOM 712 C TYR C 49 17.475 -1.684 -5.155 1.00 0.00 C ATOM 713 O TYR C 49 18.341 -1.310 -5.946 1.00 0.00 O ATOM 714 CB TYR C 49 19.196 -2.353 -3.431 1.00 0.00 C ATOM 715 CG TYR C 49 20.302 -1.409 -3.885 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.268 -1.808 -4.812 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.380 -0.112 -3.382 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.267 -0.943 -5.216 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.378 0.753 -3.787 1.00 0.00 C ATOM 720 CZ TYR C 49 22.317 0.333 -4.702 1.00 0.00 C ATOM 721 OH TYR C 49 23.313 1.195 -5.107 1.00 0.00 O ATOM 0 H TYR C 49 16.192 -3.218 -3.711 1.00 0.00 H new ATOM 0 HA TYR C 49 17.656 -0.856 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.328 -2.558 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.311 -3.302 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.233 -2.808 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.647 0.223 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR C 49 23.007 -1.267 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.421 1.755 -3.387 1.00 0.00 H new ATOM 0 HH TYR C 49 23.206 2.056 -4.651 1.00 0.00 H new ATOM 731 N GLU C 50 16.241 -1.956 -5.542 1.00 0.00 N ATOM 732 CA GLU C 50 15.881 -1.970 -6.950 1.00 0.00 C ATOM 733 C GLU C 50 14.675 -1.086 -7.213 1.00 0.00 C ATOM 734 O GLU C 50 13.777 -0.965 -6.375 1.00 0.00 O ATOM 735 CB GLU C 50 15.603 -3.404 -7.403 1.00 0.00 C ATOM 736 CG GLU C 50 16.820 -4.311 -7.320 1.00 0.00 C ATOM 737 CD GLU C 50 16.504 -5.747 -7.670 1.00 0.00 C ATOM 738 OE1 GLU C 50 16.418 -6.583 -6.747 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.335 -6.048 -8.870 1.00 0.00 O1- ATOM 0 H GLU C 50 15.474 -2.169 -4.905 1.00 0.00 H new ATOM 0 HA GLU C 50 16.718 -1.573 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.805 -3.822 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU C 50 15.240 -3.388 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.592 -3.939 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.231 -4.269 -6.311 1.00 0.00 H new ATOM 746 N ASP C 51 14.671 -0.471 -8.384 1.00 0.00 N ATOM 747 CA ASP C 51 13.620 0.456 -8.774 1.00 0.00 C ATOM 748 C ASP C 51 12.388 -0.289 -9.267 1.00 0.00 C ATOM 749 O ASP C 51 12.405 -0.903 -10.331 1.00 0.00 O ATOM 750 CB ASP C 51 14.136 1.400 -9.862 1.00 0.00 C ATOM 751 CG ASP C 51 13.083 2.381 -10.331 1.00 0.00 C ATOM 752 OD1 ASP C 51 12.694 3.261 -9.542 1.00 0.00 O ATOM 753 OD2 ASP C 51 12.648 2.286 -11.498 1.00 0.00 O1- ATOM 0 H ASP C 51 15.395 -0.600 -9.091 1.00 0.00 H new ATOM 0 HA ASP C 51 13.334 1.038 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP C 51 14.996 1.951 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.484 0.813 -10.712 1.00 0.00 H new ATOM 758 N LYS C 52 11.328 -0.243 -8.475 1.00 0.00 N ATOM 759 CA LYS C 52 10.066 -0.852 -8.842 1.00 0.00 C ATOM 760 C LYS C 52 8.984 0.205 -8.859 1.00 0.00 C ATOM 761 O LYS C 52 8.914 1.048 -7.962 1.00 0.00 O ATOM 762 CB LYS C 52 9.666 -1.967 -7.876 1.00 0.00 C ATOM 763 CG LYS C 52 10.209 -3.344 -8.230 1.00 0.00 C ATOM 764 CD LYS C 52 11.720 -3.426 -8.091 1.00 0.00 C ATOM 765 CE LYS C 52 12.226 -4.840 -8.340 1.00 0.00 C ATOM 766 NZ LYS C 52 11.844 -5.344 -9.686 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.321 0.216 -7.564 1.00 0.00 H new ATOM 0 HA LYS C 52 10.186 -1.293 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.010 -1.703 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.578 -2.020 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.747 -4.091 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.927 -3.590 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.189 -2.741 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.013 -3.104 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS C 52 13.311 -4.858 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.825 -5.507 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.347 -6.234 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.818 -5.513 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 12.100 -4.639 -10.406 1.00 0.00 H new ATOM 780 N ASN C 53 8.145 0.134 -9.871 1.00 0.00 N ATOM 781 CA ASN C 53 7.099 1.113 -10.099 1.00 0.00 C ATOM 782 C ASN C 53 5.826 0.727 -9.361 1.00 0.00 C ATOM 783 O ASN C 53 5.146 -0.236 -9.716 1.00 0.00 O ATOM 784 CB ASN C 53 6.851 1.210 -11.600 1.00 0.00 C ATOM 785 CG ASN C 53 5.600 1.972 -11.965 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.266 2.997 -11.371 1.00 0.00 O ATOM 787 ND2 ASN C 53 4.892 1.440 -12.938 1.00 0.00 N ATOM 0 H ASN C 53 8.169 -0.612 -10.566 1.00 0.00 H new ATOM 0 HA ASN C 53 7.412 2.084 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN C 53 7.708 1.692 -12.070 1.00 0.00 H new ATOM 0 HB3 ASN C 53 6.785 0.204 -12.013 1.00 0.00 H new ATOM 0 HD21 ASN C 53 4.020 1.879 -13.233 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.215 0.588 -13.397 1.00 0.00 H new ATOM 794 N TRP C 54 5.530 1.475 -8.318 1.00 0.00 N ATOM 795 CA TRP C 54 4.391 1.203 -7.460 1.00 0.00 C ATOM 796 C TRP C 54 3.240 2.178 -7.691 1.00 0.00 C ATOM 797 O TRP C 54 3.448 3.248 -8.249 1.00 0.00 O ATOM 798 CB TRP C 54 4.847 1.311 -6.033 1.00 0.00 C ATOM 799 CG TRP C 54 4.631 0.059 -5.294 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.522 -0.932 -5.048 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.411 -0.329 -4.729 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.906 -1.935 -4.337 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.596 -1.578 -4.130 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.174 0.281 -4.675 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.562 -2.231 -3.481 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.158 -0.350 -4.041 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.351 -1.604 -3.446 1.00 0.00 C ATOM 0 H TRP C 54 6.073 2.292 -8.039 1.00 0.00 H new ATOM 0 HA TRP C 54 4.020 0.205 -7.691 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.906 1.569 -6.008 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.310 2.121 -5.540 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.555 -0.934 -5.362 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.347 -2.798 -4.018 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.019 1.247 -5.132 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.708 -3.197 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.186 0.119 -3.993 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.522 -2.085 -2.948 1.00 0.00 H new ATOM 818 N GLY C 55 2.024 1.835 -7.235 1.00 0.00 N ATOM 819 CA GLY C 55 0.911 2.729 -7.457 1.00 0.00 C ATOM 820 C GLY C 55 -0.239 2.624 -6.470 1.00 0.00 C ATOM 821 O GLY C 55 -0.626 1.536 -6.047 1.00 0.00 O ATOM 0 H GLY C 55 1.805 0.976 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.285 3.753 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.521 2.549 -8.459 1.00 0.00 H new ATOM 825 N ILE C 56 -0.777 3.782 -6.098 1.00 0.00 N ATOM 826 CA ILE C 56 -2.050 3.851 -5.376 1.00 0.00 C ATOM 827 C ILE C 56 -3.124 4.496 -6.249 1.00 0.00 C ATOM 828 O ILE C 56 -2.915 5.581 -6.795 1.00 0.00 O ATOM 829 CB ILE C 56 -1.952 4.662 -4.062 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.136 3.924 -3.012 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.341 4.951 -3.505 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.351 3.873 -3.286 1.00 0.00 C ATOM 0 H ILE C 56 -0.352 4.690 -6.284 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.312 2.822 -5.130 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.450 5.600 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.297 4.401 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.512 2.904 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.251 5.522 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.912 5.527 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.854 4.011 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.850 3.328 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.529 3.367 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.747 4.887 -3.336 1.00 0.00 H new ATOM 844 N PHE C 57 -4.273 3.838 -6.363 1.00 0.00 N ATOM 845 CA PHE C 57 -5.371 4.344 -7.184 1.00 0.00 C ATOM 846 C PHE C 57 -6.675 4.328 -6.393 1.00 0.00 C ATOM 847 O PHE C 57 -7.243 3.268 -6.155 1.00 0.00 O ATOM 848 CB PHE C 57 -5.543 3.487 -8.445 1.00 0.00 C ATOM 849 CG PHE C 57 -4.255 2.958 -9.007 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.531 3.688 -9.932 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.766 1.725 -8.602 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.345 3.199 -10.443 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.584 1.232 -9.109 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.873 1.970 -10.030 1.00 0.00 C ATOM 0 H PHE C 57 -4.470 2.952 -5.897 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.130 5.367 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.198 2.647 -8.214 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.044 4.081 -9.210 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.897 4.650 -10.258 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.319 1.144 -7.879 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.788 3.778 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.216 0.270 -8.786 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.946 1.586 -10.429 1.00 0.00 H new ATOM 864 N VAL C 58 -7.155 5.493 -5.984 1.00 0.00 N ATOM 865 CA VAL C 58 -8.416 5.567 -5.261 1.00 0.00 C ATOM 866 C VAL C 58 -9.559 5.839 -6.237 1.00 0.00 C ATOM 867 O VAL C 58 -9.517 6.804 -7.001 1.00 0.00 O ATOM 868 CB VAL C 58 -8.402 6.642 -4.140 1.00 0.00 C ATOM 869 CG1 VAL C 58 -7.204 6.453 -3.225 1.00 0.00 C ATOM 870 CG2 VAL C 58 -8.415 8.052 -4.704 1.00 0.00 C ATOM 0 H VAL C 58 -6.697 6.391 -6.138 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.565 4.603 -4.774 1.00 0.00 H new ATOM 0 HB VAL C 58 -9.315 6.510 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -7.216 7.217 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.250 5.466 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -6.286 6.540 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -8.405 8.771 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.535 8.202 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.315 8.196 -5.302 1.00 0.00 H new ATOM 880 N ASN C 59 -10.552 4.954 -6.245 1.00 0.00 N ATOM 881 CA ASN C 59 -11.721 5.099 -7.118 1.00 0.00 C ATOM 882 C ASN C 59 -11.305 5.272 -8.582 1.00 0.00 C ATOM 883 O ASN C 59 -11.961 5.986 -9.343 1.00 0.00 O ATOM 884 CB ASN C 59 -12.578 6.298 -6.687 1.00 0.00 C ATOM 885 CG ASN C 59 -13.042 6.217 -5.246 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.227 5.133 -4.695 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.229 7.371 -4.623 1.00 0.00 N ATOM 0 H ASN C 59 -10.573 4.123 -5.654 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.308 4.185 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.004 7.214 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.449 6.366 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.537 7.382 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.064 8.249 -5.115 1.00 0.00 H new ATOM 894 N GLY C 60 -10.209 4.629 -8.968 1.00 0.00 N ATOM 895 CA GLY C 60 -9.721 4.736 -10.332 1.00 0.00 C ATOM 896 C GLY C 60 -8.921 6.005 -10.580 1.00 0.00 C ATOM 897 O GLY C 60 -8.810 6.461 -11.718 1.00 0.00 O ATOM 0 H GLY C 60 -9.647 4.034 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -9.098 3.871 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.568 4.707 -11.018 1.00 0.00 H new ATOM 901 N GLU C 61 -8.377 6.588 -9.520 1.00 0.00 N ATOM 902 CA GLU C 61 -7.541 7.777 -9.649 1.00 0.00 C ATOM 903 C GLU C 61 -6.245 7.608 -8.860 1.00 0.00 C ATOM 904 O GLU C 61 -6.264 7.421 -7.644 1.00 0.00 O ATOM 905 CB GLU C 61 -8.298 9.017 -9.164 1.00 0.00 C ATOM 906 CG GLU C 61 -7.600 10.326 -9.494 1.00 0.00 C ATOM 907 CD GLU C 61 -8.369 11.535 -9.007 1.00 0.00 C ATOM 908 OE1 GLU C 61 -9.550 11.693 -9.391 1.00 0.00 O ATOM 909 OE2 GLU C 61 -7.794 12.346 -8.253 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.499 6.259 -8.562 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.292 7.909 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.292 9.023 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.434 8.950 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.607 10.327 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.462 10.398 -10.573 1.00 0.00 H new ATOM 916 N LYS C 62 -5.122 7.671 -9.559 1.00 0.00 N ATOM 917 CA LYS C 62 -3.815 7.491 -8.943 1.00 0.00 C ATOM 918 C LYS C 62 -3.463 8.695 -8.070 1.00 0.00 C ATOM 919 O LYS C 62 -3.415 9.826 -8.554 1.00 0.00 O ATOM 920 CB LYS C 62 -2.756 7.288 -10.032 1.00 0.00 C ATOM 921 CG LYS C 62 -1.392 6.870 -9.505 1.00 0.00 C ATOM 922 CD LYS C 62 -0.420 6.549 -10.637 1.00 0.00 C ATOM 923 CE LYS C 62 0.263 7.793 -11.202 1.00 0.00 C ATOM 924 NZ LYS C 62 -0.682 8.727 -11.870 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.090 7.847 -10.563 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.842 6.608 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.111 6.531 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.647 8.215 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.980 7.669 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.503 5.996 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.339 5.857 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.957 6.040 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.773 8.318 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS C 62 1.028 7.487 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -0.183 9.249 -12.619 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -1.467 8.187 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -1.058 9.399 -11.171 1.00 0.00 H new ATOM 938 N VAL C 63 -3.233 8.456 -6.783 1.00 0.00 N ATOM 939 CA VAL C 63 -2.939 9.545 -5.856 1.00 0.00 C ATOM 940 C VAL C 63 -1.463 9.577 -5.480 1.00 0.00 C ATOM 941 O VAL C 63 -0.898 10.647 -5.251 1.00 0.00 O ATOM 942 CB VAL C 63 -3.792 9.469 -4.566 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.248 9.229 -4.901 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.286 8.400 -3.615 1.00 0.00 C ATOM 0 H VAL C 63 -3.244 7.528 -6.360 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.196 10.463 -6.384 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.700 10.430 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.830 9.179 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.618 10.046 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.346 8.289 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.912 8.380 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.324 7.428 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.258 8.623 -3.331 1.00 0.00 H new ATOM 954 N TYR C 64 -0.838 8.408 -5.410 1.00 0.00 N ATOM 955 CA TYR C 64 0.555 8.329 -5.014 1.00 0.00 C ATOM 956 C TYR C 64 1.257 7.197 -5.749 1.00 0.00 C ATOM 957 O TYR C 64 0.666 6.151 -6.021 1.00 0.00 O ATOM 958 CB TYR C 64 0.657 8.132 -3.497 1.00 0.00 C ATOM 959 CG TYR C 64 2.057 8.295 -2.944 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.672 9.540 -2.917 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.757 7.207 -2.442 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.946 9.697 -2.405 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.033 7.355 -1.928 1.00 0.00 C ATOM 964 CZ TYR C 64 4.622 8.602 -1.911 1.00 0.00 C ATOM 965 OH TYR C 64 5.892 8.754 -1.399 1.00 0.00 O ATOM 0 H TYR C 64 -1.273 7.510 -5.621 1.00 0.00 H new ATOM 0 HA TYR C 64 1.049 9.263 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.002 8.846 -3.004 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.293 7.136 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.145 10.400 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.298 6.229 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.409 10.672 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.565 6.498 -1.542 1.00 0.00 H new ATOM 0 HH TYR C 64 6.227 7.886 -1.092 1.00 0.00 H new ATOM 975 N THR C 65 2.510 7.432 -6.084 1.00 0.00 N ATOM 976 CA THR C 65 3.340 6.454 -6.760 1.00 0.00 C ATOM 977 C THR C 65 4.713 6.444 -6.091 1.00 0.00 C ATOM 978 O THR C 65 5.218 7.505 -5.721 1.00 0.00 O ATOM 979 CB THR C 65 3.482 6.821 -8.256 1.00 0.00 C ATOM 980 OG1 THR C 65 2.199 6.766 -8.888 1.00 0.00 O ATOM 981 CG2 THR C 65 4.453 5.904 -8.983 1.00 0.00 C ATOM 0 H THR C 65 2.985 8.314 -5.893 1.00 0.00 H new ATOM 0 HA THR C 65 2.884 5.467 -6.691 1.00 0.00 H new ATOM 0 HB THR C 65 3.884 7.832 -8.311 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.643 7.505 -8.564 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.519 6.201 -10.030 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.438 5.978 -8.522 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.099 4.875 -8.919 1.00 0.00 H new ATOM 989 N PHE C 66 5.315 5.276 -5.908 1.00 0.00 N ATOM 990 CA PHE C 66 6.601 5.218 -5.221 1.00 0.00 C ATOM 991 C PHE C 66 7.474 4.080 -5.731 1.00 0.00 C ATOM 992 O PHE C 66 7.066 3.312 -6.602 1.00 0.00 O ATOM 993 CB PHE C 66 6.402 5.108 -3.703 1.00 0.00 C ATOM 994 CG PHE C 66 5.730 3.845 -3.221 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.480 2.710 -2.940 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.357 3.806 -3.008 1.00 0.00 C ATOM 997 CE1 PHE C 66 5.876 1.566 -2.457 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.748 2.658 -2.529 1.00 0.00 C ATOM 999 CZ PHE C 66 4.511 1.539 -2.252 1.00 0.00 C ATOM 0 H PHE C 66 4.946 4.376 -6.216 1.00 0.00 H new ATOM 0 HA PHE C 66 7.124 6.149 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.376 5.186 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.812 5.962 -3.370 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.548 2.722 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.759 4.680 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.472 0.692 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.680 2.637 -2.372 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.039 0.644 -1.875 1.00 0.00 H new ATOM 1009 N ASN C 67 8.682 3.996 -5.180 1.00 0.00 N ATOM 1010 CA ASN C 67 9.650 2.981 -5.572 1.00 0.00 C ATOM 1011 C ASN C 67 10.064 2.162 -4.354 1.00 0.00 C ATOM 1012 O ASN C 67 10.273 2.709 -3.271 1.00 0.00 O ATOM 1013 CB ASN C 67 10.891 3.630 -6.194 1.00 0.00 C ATOM 1014 CG ASN C 67 10.572 4.509 -7.392 1.00 0.00 C ATOM 1015 OD1 ASN C 67 9.604 4.276 -8.118 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.388 5.528 -7.605 1.00 0.00 N ATOM 0 H ASN C 67 9.015 4.628 -4.452 1.00 0.00 H new ATOM 0 HA ASN C 67 9.185 2.329 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.397 4.229 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.587 2.849 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.226 6.155 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.179 5.687 -6.981 1.00 0.00 H new ATOM 1023 N GLU C 68 10.194 0.852 -4.546 1.00 0.00 N ATOM 1024 CA GLU C 68 10.475 -0.080 -3.443 1.00 0.00 C ATOM 1025 C GLU C 68 11.851 0.108 -2.809 1.00 0.00 C ATOM 1026 O GLU C 68 12.117 -0.418 -1.729 1.00 0.00 O ATOM 1027 CB GLU C 68 10.351 -1.523 -3.923 1.00 0.00 C ATOM 1028 CG GLU C 68 8.929 -2.063 -3.929 1.00 0.00 C ATOM 1029 CD GLU C 68 8.851 -3.462 -4.513 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.259 -3.630 -5.597 1.00 0.00 O ATOM 1031 OE2 GLU C 68 9.405 -4.398 -3.901 1.00 0.00 O1- ATOM 0 H GLU C 68 10.110 0.404 -5.458 1.00 0.00 H new ATOM 0 HA GLU C 68 9.732 0.143 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.758 -1.594 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.966 -2.159 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.542 -2.074 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.290 -1.394 -4.506 1.00 0.00 H new ATOM 1038 N LYS C 69 12.721 0.843 -3.468 1.00 0.00 N ATOM 1039 CA LYS C 69 14.082 1.017 -2.979 1.00 0.00 C ATOM 1040 C LYS C 69 14.177 2.119 -1.921 1.00 0.00 C ATOM 1041 O LYS C 69 15.251 2.380 -1.380 1.00 0.00 O ATOM 1042 CB LYS C 69 15.018 1.310 -4.145 1.00 0.00 C ATOM 1043 CG LYS C 69 14.363 2.125 -5.248 1.00 0.00 C ATOM 1044 CD LYS C 69 15.366 2.548 -6.315 1.00 0.00 C ATOM 1045 CE LYS C 69 16.480 3.417 -5.747 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.446 3.844 -6.793 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.517 1.330 -4.341 1.00 0.00 H new ATOM 0 HA LYS C 69 14.385 0.087 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.892 1.847 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS C 69 15.375 0.368 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.568 1.539 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS C 69 13.897 3.011 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.799 1.660 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS C 69 14.847 3.095 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.046 4.298 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.009 2.865 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.187 4.433 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.880 3.005 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 16.948 4.393 -7.522 1.00 0.00 H new ATOM 1060 N SER C 70 13.056 2.757 -1.626 1.00 0.00 N ATOM 1061 CA SER C 70 13.007 3.778 -0.589 1.00 0.00 C ATOM 1062 C SER C 70 12.736 3.129 0.771 1.00 0.00 C ATOM 1063 O SER C 70 12.624 1.905 0.867 1.00 0.00 O ATOM 1064 CB SER C 70 11.913 4.790 -0.924 1.00 0.00 C ATOM 1065 OG SER C 70 12.044 5.263 -2.256 1.00 0.00 O ATOM 0 H SER C 70 12.164 2.586 -2.091 1.00 0.00 H new ATOM 0 HA SER C 70 13.966 4.294 -0.541 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.934 4.328 -0.793 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.965 5.629 -0.230 1.00 0.00 H new ATOM 0 HG SER C 70 11.550 4.673 -2.863 1.00 0.00 H new ATOM 1071 N THR C 71 12.619 3.937 1.821 1.00 0.00 N ATOM 1072 CA THR C 71 12.319 3.419 3.130 1.00 0.00 C ATOM 1073 C THR C 71 10.823 3.230 3.240 1.00 0.00 C ATOM 1074 O THR C 71 10.057 4.195 3.172 1.00 0.00 O ATOM 1075 CB THR C 71 12.827 4.357 4.242 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.472 5.715 3.944 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.335 4.242 4.396 1.00 0.00 C ATOM 0 H THR C 71 12.729 4.950 1.780 1.00 0.00 H new ATOM 0 HA THR C 71 12.830 2.465 3.260 1.00 0.00 H new ATOM 0 HB THR C 71 12.357 4.060 5.180 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.215 6.307 4.183 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.672 4.913 5.186 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.597 3.216 4.654 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.818 4.515 3.458 1.00 0.00 H new ATOM 1085 N VAL C 72 10.410 1.983 3.389 1.00 0.00 N ATOM 1086 CA VAL C 72 9.008 1.622 3.295 1.00 0.00 C ATOM 1087 C VAL C 72 8.172 2.328 4.356 1.00 0.00 C ATOM 1088 O VAL C 72 6.952 2.405 4.243 1.00 0.00 O ATOM 1089 CB VAL C 72 8.812 0.094 3.417 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.482 -0.321 2.833 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.940 -0.663 2.738 1.00 0.00 C ATOM 0 H VAL C 72 11.033 1.198 3.577 1.00 0.00 H new ATOM 0 HA VAL C 72 8.667 1.946 2.312 1.00 0.00 H new ATOM 0 HB VAL C 72 8.825 -0.157 4.478 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.363 -1.400 2.929 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.677 0.181 3.369 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.445 -0.044 1.779 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.773 -1.735 2.842 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.969 -0.401 1.680 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.889 -0.397 3.204 1.00 0.00 H new ATOM 1101 N GLY C 73 8.830 2.880 5.359 1.00 0.00 N ATOM 1102 CA GLY C 73 8.108 3.541 6.424 1.00 0.00 C ATOM 1103 C GLY C 73 7.764 4.959 6.064 1.00 0.00 C ATOM 1104 O GLY C 73 6.639 5.405 6.290 1.00 0.00 O ATOM 0 H GLY C 73 9.845 2.883 5.456 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.194 2.989 6.642 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.710 3.532 7.333 1.00 0.00 H new ATOM 1108 N ASN C 74 8.717 5.669 5.477 1.00 0.00 N ATOM 1109 CA ASN C 74 8.450 7.016 5.011 1.00 0.00 C ATOM 1110 C ASN C 74 7.518 6.950 3.819 1.00 0.00 C ATOM 1111 O ASN C 74 6.745 7.867 3.569 1.00 0.00 O ATOM 1112 CB ASN C 74 9.737 7.756 4.639 1.00 0.00 C ATOM 1113 CG ASN C 74 10.593 8.094 5.844 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.373 9.104 6.517 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.600 7.277 6.108 1.00 0.00 N ATOM 0 H ASN C 74 9.668 5.338 5.315 1.00 0.00 H new ATOM 0 HA ASN C 74 7.982 7.575 5.821 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.316 7.143 3.949 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.482 8.675 4.111 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.225 7.474 6.890 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.751 6.451 5.530 1.00 0.00 H new ATOM 1122 N ILE C 75 7.595 5.847 3.088 1.00 0.00 N ATOM 1123 CA ILE C 75 6.712 5.619 1.962 1.00 0.00 C ATOM 1124 C ILE C 75 5.285 5.356 2.426 1.00 0.00 C ATOM 1125 O ILE C 75 4.381 6.152 2.166 1.00 0.00 O ATOM 1126 CB ILE C 75 7.178 4.419 1.115 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.543 4.693 0.480 1.00 0.00 C ATOM 1128 CG2 ILE C 75 6.148 4.096 0.051 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.561 5.895 -0.437 1.00 0.00 C ATOM 0 H ILE C 75 8.264 5.096 3.259 1.00 0.00 H new ATOM 0 HA ILE C 75 6.740 6.524 1.355 1.00 0.00 H new ATOM 0 HB ILE C 75 7.282 3.556 1.773 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.278 4.841 1.271 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.854 3.813 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.490 3.246 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE C 75 5.199 3.849 0.527 1.00 0.00 H new ATOM 0 HG23 ILE C 75 6.014 4.960 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.562 6.024 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.852 5.743 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.282 6.786 0.126 1.00 0.00 H new ATOM 1141 N SER C 76 5.097 4.243 3.128 1.00 0.00 N ATOM 1142 CA SER C 76 3.764 3.781 3.479 1.00 0.00 C ATOM 1143 C SER C 76 3.013 4.806 4.298 1.00 0.00 C ATOM 1144 O SER C 76 1.865 5.114 4.012 1.00 0.00 O ATOM 1145 CB SER C 76 3.828 2.456 4.237 1.00 0.00 C ATOM 1146 OG SER C 76 4.592 1.500 3.524 1.00 0.00 O ATOM 0 H SER C 76 5.853 3.646 3.464 1.00 0.00 H new ATOM 0 HA SER C 76 3.222 3.630 2.545 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.267 2.617 5.221 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.819 2.075 4.397 1.00 0.00 H new ATOM 0 HG SER C 76 5.507 1.832 3.409 1.00 0.00 H new ATOM 1152 N ASN C 77 3.665 5.352 5.297 1.00 0.00 N ATOM 1153 CA ASN C 77 2.972 6.250 6.206 1.00 0.00 C ATOM 1154 C ASN C 77 2.741 7.641 5.630 1.00 0.00 C ATOM 1155 O ASN C 77 1.937 8.385 6.175 1.00 0.00 O ATOM 1156 CB ASN C 77 3.604 6.294 7.596 1.00 0.00 C ATOM 1157 CG ASN C 77 3.139 5.113 8.434 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.870 4.142 8.618 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.888 5.170 8.906 1.00 0.00 N ATOM 0 H ASN C 77 4.652 5.199 5.503 1.00 0.00 H new ATOM 0 HA ASN C 77 1.981 5.815 6.332 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.690 6.279 7.508 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.337 7.227 8.093 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.509 4.389 9.441 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.314 5.995 8.731 1.00 0.00 H new ATOM 1166 N ASP C 78 3.419 8.007 4.541 1.00 0.00 N ATOM 1167 CA ASP C 78 3.011 9.206 3.793 1.00 0.00 C ATOM 1168 C ASP C 78 1.593 9.011 3.306 1.00 0.00 C ATOM 1169 O ASP C 78 0.746 9.895 3.432 1.00 0.00 O ATOM 1170 CB ASP C 78 3.892 9.477 2.578 1.00 0.00 C ATOM 1171 CG ASP C 78 5.104 10.330 2.896 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.812 10.740 1.951 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.340 10.617 4.085 1.00 0.00 O1- ATOM 0 H ASP C 78 4.227 7.512 4.163 1.00 0.00 H new ATOM 0 HA ASP C 78 3.103 10.056 4.470 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.224 8.527 2.159 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.298 9.973 1.810 1.00 0.00 H new ATOM 1178 N ILE C 79 1.362 7.821 2.762 1.00 0.00 N ATOM 1179 CA ILE C 79 0.047 7.386 2.317 1.00 0.00 C ATOM 1180 C ILE C 79 -0.943 7.451 3.470 1.00 0.00 C ATOM 1181 O ILE C 79 -2.136 7.694 3.285 1.00 0.00 O ATOM 1182 CB ILE C 79 0.110 5.927 1.809 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.105 5.799 0.655 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.266 5.426 1.395 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.414 4.364 0.284 1.00 0.00 C ATOM 0 H ILE C 79 2.093 7.124 2.617 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.275 8.046 1.511 1.00 0.00 H new ATOM 0 HB ILE C 79 0.457 5.302 2.632 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.705 6.314 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.032 6.304 0.927 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.188 4.397 1.043 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.940 5.466 2.250 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.657 6.055 0.595 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.126 4.347 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.843 3.850 1.144 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.496 3.861 -0.019 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.431 7.248 4.666 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.276 7.139 5.830 1.00 0.00 C ATOM 1199 C ASN C 80 -1.494 8.488 6.484 1.00 0.00 C ATOM 1200 O ASN C 80 -2.532 8.713 7.098 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.682 6.139 6.820 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.320 4.830 6.143 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.977 4.400 5.203 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.739 4.195 6.609 1.00 0.00 N ATOM 0 H ASN C 80 0.567 7.156 4.855 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.252 6.773 5.510 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.207 6.568 7.282 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.397 5.950 7.620 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.034 3.316 6.184 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.262 4.583 7.394 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.528 9.391 6.346 1.00 0.00 N ATOM 1212 CA LYS C 81 -0.720 10.773 6.771 1.00 0.00 C ATOM 1213 C LYS C 81 -1.957 11.323 6.086 1.00 0.00 C ATOM 1214 O LYS C 81 -2.729 12.077 6.666 1.00 0.00 O ATOM 1215 CB LYS C 81 0.487 11.645 6.407 1.00 0.00 C ATOM 1216 CG LYS C 81 1.806 11.246 7.063 1.00 0.00 C ATOM 1217 CD LYS C 81 1.820 11.493 8.567 1.00 0.00 C ATOM 1218 CE LYS C 81 1.330 10.286 9.351 1.00 0.00 C ATOM 1219 NZ LYS C 81 1.464 10.485 10.817 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.389 9.193 5.946 1.00 0.00 H new ATOM 0 HA LYS C 81 -0.835 10.791 7.855 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.617 11.621 5.325 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.263 12.677 6.679 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.996 10.190 6.872 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.619 11.805 6.601 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.833 11.743 8.883 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.192 12.354 8.798 1.00 0.00 H new ATOM 0 HE2 LYS C 81 0.286 10.093 9.105 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.896 9.404 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 1.119 9.640 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 2.464 10.644 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 0.903 11.311 11.108 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.145 10.893 4.847 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.283 11.301 4.042 1.00 0.00 C ATOM 1235 C LEU C 82 -4.594 10.976 4.754 1.00 0.00 C ATOM 1236 O LEU C 82 -5.560 11.728 4.634 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.254 10.572 2.693 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.880 10.469 2.019 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -2.010 9.783 0.666 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.259 11.848 1.851 1.00 0.00 C ATOM 0 H LEU C 82 -1.511 10.250 4.372 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.221 12.378 3.885 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.643 9.564 2.838 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.935 11.082 2.011 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.227 9.873 2.657 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -1.029 9.715 0.197 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.416 8.781 0.804 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.678 10.361 0.028 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.285 11.752 1.371 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.909 12.467 1.233 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.137 12.314 2.829 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.589 9.893 5.539 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.821 9.310 6.090 1.00 0.00 C ATOM 1254 C ASN C 83 -6.934 9.360 5.050 1.00 0.00 C ATOM 1255 O ASN C 83 -7.805 10.233 5.071 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.226 9.979 7.407 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.860 9.118 8.615 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.532 9.156 9.648 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -4.788 8.333 8.496 1.00 0.00 N ATOM 0 H ASN C 83 -3.739 9.398 5.810 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.632 8.263 6.328 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.734 10.948 7.489 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.300 10.165 7.405 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.502 7.739 9.274 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.255 8.326 7.627 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.867 8.410 4.131 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.679 8.420 2.928 1.00 0.00 C ATOM 1268 C ILE C 84 -9.152 8.185 3.205 1.00 0.00 C ATOM 1269 O ILE C 84 -9.535 7.242 3.893 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.186 7.355 1.936 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.687 7.527 1.723 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.934 7.455 0.611 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.104 6.582 0.694 1.00 0.00 C ATOM 0 H ILE C 84 -6.243 7.606 4.201 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.573 9.417 2.501 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.382 6.365 2.348 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.489 8.553 1.414 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.175 7.376 2.673 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.566 6.690 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.000 7.306 0.783 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.771 8.441 0.175 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.034 6.764 0.598 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.270 5.552 1.011 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.588 6.748 -0.268 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.963 9.038 2.612 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.413 8.934 2.680 1.00 0.00 C ATOM 1287 C LYS C 85 -11.907 8.009 1.566 1.00 0.00 C ATOM 1288 O LYS C 85 -12.912 8.275 0.902 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.011 10.332 2.530 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.642 10.993 1.201 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.371 12.479 1.360 1.00 0.00 C ATOM 1292 CE LYS C 85 -10.113 12.737 2.180 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.783 14.183 2.237 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.634 9.832 2.063 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.722 8.515 3.638 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.096 10.269 2.611 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.666 10.960 3.351 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.759 10.506 0.787 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.452 10.847 0.486 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.265 12.937 0.377 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.224 12.955 1.843 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -10.253 12.355 3.191 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.277 12.189 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.921 14.320 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.625 14.541 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.571 14.702 2.674 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.180 6.924 1.367 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.435 6.049 0.251 1.00 0.00 C ATOM 1309 C GLY C 86 -12.441 4.965 0.575 1.00 0.00 C ATOM 1310 O GLY C 86 -12.306 4.279 1.589 1.00 0.00 O ATOM 0 H GLY C 86 -10.409 6.633 1.968 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.800 6.638 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.499 5.588 -0.065 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.471 4.789 -0.263 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.429 3.697 -0.108 1.00 0.00 C ATOM 1316 C PRO C 87 -13.863 2.400 -0.667 1.00 0.00 C ATOM 1317 O PRO C 87 -14.052 1.323 -0.104 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.610 4.164 -0.949 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.968 4.933 -2.047 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.814 5.660 -1.407 1.00 0.00 C ATOM 0 HA PRO C 87 -14.685 3.493 0.932 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.188 3.323 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.295 4.784 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.623 4.270 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.671 5.633 -2.499 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.976 5.773 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.097 6.661 -1.082 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.150 2.526 -1.780 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.438 1.418 -2.359 1.00 0.00 C ATOM 1330 C TYR C 88 -11.218 1.943 -3.102 1.00 0.00 C ATOM 1331 O TYR C 88 -11.332 2.683 -4.081 1.00 0.00 O ATOM 1332 CB TYR C 88 -13.339 0.564 -3.269 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.861 1.260 -4.512 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.969 2.094 -4.457 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -13.250 1.062 -5.744 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.451 2.713 -5.594 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -13.724 1.679 -6.883 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.825 2.503 -6.803 1.00 0.00 C ATOM 1339 OH TYR C 88 -15.304 3.113 -7.941 1.00 0.00 O ATOM 0 H TYR C 88 -13.056 3.400 -2.297 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.109 0.756 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.781 -0.320 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -14.191 0.216 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -15.462 2.262 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -12.389 0.414 -5.811 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.315 3.359 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -13.235 1.517 -7.832 1.00 0.00 H new ATOM 0 HH TYR C 88 -14.747 2.860 -8.707 1.00 0.00 H new ATOM 1349 N ILE C 89 -10.046 1.613 -2.599 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.816 2.101 -3.188 1.00 0.00 C ATOM 1351 C ILE C 89 -7.928 0.928 -3.578 1.00 0.00 C ATOM 1352 O ILE C 89 -8.028 -0.156 -3.002 1.00 0.00 O ATOM 1353 CB ILE C 89 -8.059 3.043 -2.223 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.413 2.265 -1.076 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -9.014 4.089 -1.663 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -6.637 3.144 -0.122 1.00 0.00 C ATOM 0 H ILE C 89 -9.919 1.010 -1.786 1.00 0.00 H new ATOM 0 HA ILE C 89 -9.073 2.674 -4.079 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.267 3.535 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.189 1.736 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -6.744 1.510 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -8.474 4.749 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -9.433 4.675 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -9.820 3.593 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -6.204 2.530 0.668 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -5.840 3.654 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.307 3.883 0.318 1.00 0.00 H new ATOM 1368 N GLU C 90 -7.087 1.140 -4.567 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.195 0.103 -5.041 1.00 0.00 C ATOM 1370 C GLU C 90 -4.769 0.364 -4.603 1.00 0.00 C ATOM 1371 O GLU C 90 -4.240 1.460 -4.798 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.241 0.010 -6.557 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.554 -0.527 -7.097 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.502 -0.800 -8.583 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.861 0.099 -9.370 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.097 -1.919 -8.973 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.002 2.028 -5.062 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.531 -0.839 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -6.063 0.999 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.429 -0.632 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.810 -1.447 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -8.348 0.190 -6.890 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.158 -0.647 -4.017 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.766 -0.577 -3.623 1.00 0.00 C ATOM 1385 C ILE C 91 -2.004 -1.769 -4.208 1.00 0.00 C ATOM 1386 O ILE C 91 -2.087 -2.889 -3.702 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.626 -0.500 -2.076 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.130 0.863 -1.577 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -1.196 -0.745 -1.622 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.574 1.280 -0.228 1.00 0.00 C ATOM 0 H ILE C 91 -4.610 -1.536 -3.802 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.327 0.337 -4.023 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.237 -1.291 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.873 1.624 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -4.218 0.834 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -1.143 -0.682 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.877 -1.736 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.541 0.007 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.981 2.253 0.048 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.854 0.543 0.524 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.487 1.345 -0.287 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.293 -1.512 -5.311 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.546 -2.539 -6.037 1.00 0.00 C ATOM 1404 C LYS C 92 0.390 -1.852 -7.024 1.00 0.00 C ATOM 1405 O LYS C 92 0.242 -0.663 -7.289 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.485 -3.488 -6.800 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.258 -2.824 -7.937 1.00 0.00 C ATOM 1408 CD LYS C 92 -3.492 -2.090 -7.434 1.00 0.00 C ATOM 1409 CE LYS C 92 -4.571 -3.057 -6.960 1.00 0.00 C ATOM 1410 NZ LYS C 92 -5.246 -3.746 -8.093 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.221 -0.583 -5.725 1.00 0.00 H new ATOM 0 HA LYS C 92 0.017 -3.134 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.898 -4.312 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.196 -3.921 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -1.606 -2.123 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.557 -3.580 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -3.212 -1.427 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.891 -1.462 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -4.125 -3.800 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -5.312 -2.513 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.936 -4.430 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -5.737 -3.044 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.537 -4.246 -8.667 1.00 0.00 H new ATOM 1424 N GLN C 93 1.342 -2.582 -7.577 1.00 0.00 N ATOM 1425 CA GLN C 93 2.305 -1.966 -8.478 1.00 0.00 C ATOM 1426 C GLN C 93 1.840 -2.045 -9.923 1.00 0.00 C ATOM 1427 O GLN C 93 0.828 -2.678 -10.235 1.00 0.00 O ATOM 1428 CB GLN C 93 3.691 -2.584 -8.331 1.00 0.00 C ATOM 1429 CG GLN C 93 3.776 -3.658 -7.262 1.00 0.00 C ATOM 1430 CD GLN C 93 5.197 -4.092 -6.959 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.434 -5.235 -6.570 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.150 -3.188 -7.133 1.00 0.00 N ATOM 0 H GLN C 93 1.470 -3.582 -7.424 1.00 0.00 H new ATOM 0 HA GLN C 93 2.375 -0.915 -8.197 1.00 0.00 H new ATOM 0 HB2 GLN C 93 3.990 -3.013 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.407 -1.796 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.314 -3.287 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.199 -4.526 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.911 -2.251 -7.457 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.123 -3.429 -6.943 1.00 0.00 H new ATOM 1441 N ILE C 94 2.601 -1.409 -10.798 1.00 0.00 N ATOM 1442 CA ILE C 94 2.186 -1.187 -12.171 1.00 0.00 C ATOM 1443 C ILE C 94 3.340 -1.397 -13.139 1.00 0.00 C ATOM 1444 O ILE C 94 4.503 -1.296 -12.708 1.00 0.00 O ATOM 1445 CB ILE C 94 1.610 0.232 -12.331 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.274 1.174 -11.319 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.101 0.208 -12.151 1.00 0.00 C ATOM 1448 CD1 ILE C 94 1.777 2.598 -11.368 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.083 -1.664 -14.330 1.00 0.00 O ATOM 0 H ILE C 94 3.523 -1.033 -10.576 1.00 0.00 H new ATOM 0 HA ILE C 94 1.411 -1.916 -12.409 1.00 0.00 H new ATOM 0 HB ILE C 94 1.822 0.600 -13.335 1.00 0.00 H new ATOM 0 HG12 ILE C 94 2.112 0.781 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.350 1.172 -11.492 1.00 0.00 H new ATOM 0 HG21 ILE C 94 -0.295 1.217 -12.266 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.345 -0.445 -12.902 1.00 0.00 H new ATOM 0 HG23 ILE C 94 -0.141 -0.165 -11.156 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.301 3.192 -10.619 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.964 3.015 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE C 94 0.707 2.617 -11.163 1.00 0.00 H new