USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 CYS SG : rot 180:sc= 0.211 USER MOD Set 1.2: A 81 THR OG1 : rot -44:sc= 0.22 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.548 K(o=1.2,f=0.37) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.603 K(o=1.2,f=0.37) USER MOD Single : A 14 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.45!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.92 K(o=-2.9,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.426 K(o=0.43,f=-3.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.01 K(o=-1,f=-3.4!) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.16 (180deg=-0.428) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc=-0.000917 (180deg=-0.0916) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.121 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.654 9.609 -6.817 1.00 0.00 N ATOM 83 CA VAL A 7 8.279 8.519 -7.708 1.00 0.00 C ATOM 84 C VAL A 7 7.090 7.741 -7.158 1.00 0.00 C ATOM 85 O VAL A 7 6.938 7.596 -5.944 1.00 0.00 O ATOM 86 CB VAL A 7 9.453 7.547 -7.934 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.563 8.222 -8.726 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.978 7.023 -6.605 1.00 0.00 C ATOM 0 HA VAL A 7 8.003 8.972 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 7 9.090 6.699 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.383 7.519 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.177 8.540 -9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.925 9.091 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.807 6.338 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.324 7.858 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.180 6.497 -6.081 1.00 0.00 H new ATOM 98 N GLN A 8 6.247 7.241 -8.057 1.00 0.00 N ATOM 99 CA GLN A 8 5.071 6.476 -7.659 1.00 0.00 C ATOM 100 C GLN A 8 5.054 5.112 -8.341 1.00 0.00 C ATOM 101 O GLN A 8 5.629 4.937 -9.415 1.00 0.00 O ATOM 102 CB GLN A 8 3.795 7.250 -8.003 1.00 0.00 C ATOM 103 CG GLN A 8 3.214 8.017 -6.826 1.00 0.00 C ATOM 104 CD GLN A 8 2.702 9.388 -7.220 1.00 0.00 C ATOM 105 OE1 GLN A 8 3.346 10.405 -6.955 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.539 9.425 -7.858 1.00 0.00 N ATOM 0 H GLN A 8 6.357 7.352 -9.065 1.00 0.00 H new ATOM 0 HA GLN A 8 5.114 6.321 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.011 7.949 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.046 6.552 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.399 7.441 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.977 8.126 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.039 8.559 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.145 10.320 -8.149 1.00 0.00 H new ATOM 115 N ARG A 9 4.389 4.150 -7.711 1.00 0.00 N ATOM 116 CA ARG A 9 4.297 2.801 -8.257 1.00 0.00 C ATOM 117 C ARG A 9 2.950 2.169 -7.922 1.00 0.00 C ATOM 118 O ARG A 9 2.518 2.179 -6.769 1.00 0.00 O ATOM 119 CB ARG A 9 5.435 1.931 -7.716 1.00 0.00 C ATOM 120 CG ARG A 9 6.226 1.221 -8.803 1.00 0.00 C ATOM 121 CD ARG A 9 7.553 0.699 -8.274 1.00 0.00 C ATOM 122 NE ARG A 9 8.630 1.672 -8.440 1.00 0.00 N ATOM 123 CZ ARG A 9 9.270 1.879 -9.588 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.945 1.188 -10.672 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.240 2.782 -9.651 1.00 0.00 N ATOM 0 H ARG A 9 3.906 4.279 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 9 4.385 2.867 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.113 2.555 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.021 1.188 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.639 0.392 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.407 1.907 -9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.449 0.450 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.814 -0.222 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 9 8.907 2.225 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.200 0.493 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.440 1.352 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.494 3.316 -8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.732 2.942 -10.530 1.00 0.00 H new ATOM 139 N CYS A 10 2.289 1.620 -8.937 1.00 0.00 N ATOM 140 CA CYS A 10 0.991 0.983 -8.749 1.00 0.00 C ATOM 141 C CYS A 10 1.154 -0.439 -8.225 1.00 0.00 C ATOM 142 O CYS A 10 1.500 -1.351 -8.976 1.00 0.00 O ATOM 143 CB CYS A 10 0.210 0.974 -10.065 1.00 0.00 C ATOM 144 SG CYS A 10 -1.369 1.854 -9.992 1.00 0.00 S ATOM 0 H CYS A 10 2.631 1.604 -9.898 1.00 0.00 H new ATOM 0 HA CYS A 10 0.433 1.558 -8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.827 1.421 -10.845 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.025 -0.059 -10.358 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.954 1.793 -11.151 1.00 0.00 H new ATOM 150 N VAL A 11 0.901 -0.622 -6.934 1.00 0.00 N ATOM 151 CA VAL A 11 1.021 -1.934 -6.309 1.00 0.00 C ATOM 152 C VAL A 11 -0.339 -2.618 -6.199 1.00 0.00 C ATOM 153 O VAL A 11 -1.219 -2.156 -5.473 1.00 0.00 O ATOM 154 CB VAL A 11 1.650 -1.837 -4.907 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.071 -1.298 -4.995 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.798 -0.966 -3.993 1.00 0.00 C ATOM 0 H VAL A 11 0.611 0.122 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 11 1.673 -2.528 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 11 1.690 -2.839 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.499 -1.236 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.676 -1.966 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.056 -0.305 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.261 -0.911 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.721 0.036 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.198 -1.399 -3.902 1.00 0.00 H new ATOM 166 N ILE A 12 -0.504 -3.720 -6.923 1.00 0.00 N ATOM 167 CA ILE A 12 -1.757 -4.465 -6.905 1.00 0.00 C ATOM 168 C ILE A 12 -1.642 -5.714 -6.037 1.00 0.00 C ATOM 169 O ILE A 12 -1.093 -6.730 -6.463 1.00 0.00 O ATOM 170 CB ILE A 12 -2.186 -4.882 -8.326 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.104 -3.686 -9.280 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.594 -5.458 -8.307 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.018 -3.822 -10.325 1.00 0.00 C ATOM 0 H ILE A 12 0.214 -4.117 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.512 -3.800 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.505 -5.654 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.065 -3.563 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.928 -2.780 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.882 -5.748 -9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.621 -6.333 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.289 -4.707 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.017 -2.940 -10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.050 -3.914 -9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.204 -4.710 -10.930 1.00 0.00 H new ATOM 185 N ILE A 13 -2.161 -5.629 -4.816 1.00 0.00 N ATOM 186 CA ILE A 13 -2.115 -6.751 -3.887 1.00 0.00 C ATOM 187 C ILE A 13 -3.362 -7.620 -4.012 1.00 0.00 C ATOM 188 O ILE A 13 -4.482 -7.111 -4.054 1.00 0.00 O ATOM 189 CB ILE A 13 -1.983 -6.270 -2.429 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.870 -5.227 -2.311 1.00 0.00 C ATOM 191 CG2 ILE A 13 -1.714 -7.449 -1.506 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.372 -3.801 -2.359 1.00 0.00 C ATOM 0 H ILE A 13 -2.618 -4.795 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.236 -7.341 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.922 -5.805 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.334 -5.384 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.153 -5.379 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.623 -7.094 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.538 -8.159 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.787 -7.940 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.529 -3.115 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.883 -3.627 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.066 -3.632 -1.536 1.00 0.00 H new ATOM 204 N GLN A 14 -3.160 -8.932 -4.074 1.00 0.00 N ATOM 205 CA GLN A 14 -4.269 -9.872 -4.195 1.00 0.00 C ATOM 206 C GLN A 14 -4.507 -10.605 -2.879 1.00 0.00 C ATOM 207 O GLN A 14 -3.600 -11.231 -2.334 1.00 0.00 O ATOM 208 CB GLN A 14 -3.990 -10.879 -5.312 1.00 0.00 C ATOM 209 CG GLN A 14 -3.620 -10.232 -6.637 1.00 0.00 C ATOM 210 CD GLN A 14 -2.121 -10.201 -6.871 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.464 -9.192 -6.615 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.575 -11.308 -7.362 1.00 0.00 N ATOM 0 H GLN A 14 -2.239 -9.369 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.168 -9.307 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.180 -11.539 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.872 -11.503 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.100 -10.777 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.009 -9.214 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.159 -12.121 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.572 -11.345 -7.542 1.00 0.00 H new ATOM 221 N LYS A 15 -5.735 -10.521 -2.375 1.00 0.00 N ATOM 222 CA LYS A 15 -6.093 -11.178 -1.123 1.00 0.00 C ATOM 223 C LYS A 15 -6.051 -12.696 -1.272 1.00 0.00 C ATOM 224 O LYS A 15 -6.505 -13.242 -2.276 1.00 0.00 O ATOM 225 CB LYS A 15 -7.487 -10.737 -0.672 1.00 0.00 C ATOM 226 CG LYS A 15 -7.772 -11.028 0.793 1.00 0.00 C ATOM 227 CD LYS A 15 -9.127 -11.695 0.979 1.00 0.00 C ATOM 228 CE LYS A 15 -9.865 -11.132 2.183 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.598 -12.192 2.931 1.00 0.00 N ATOM 0 H LYS A 15 -6.498 -10.005 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.364 -10.885 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.596 -9.667 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.234 -11.239 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.990 -11.673 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.742 -10.098 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.730 -11.553 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.991 -12.769 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.154 -10.644 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.569 -10.368 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.088 -11.767 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.295 -12.641 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.924 -12.908 3.268 1.00 0.00 H new ATOM 243 N ASP A 16 -5.502 -13.368 -0.266 1.00 0.00 N ATOM 244 CA ASP A 16 -5.399 -14.823 -0.284 1.00 0.00 C ATOM 245 C ASP A 16 -6.230 -15.442 0.836 1.00 0.00 C ATOM 246 O ASP A 16 -6.992 -14.750 1.511 1.00 0.00 O ATOM 247 CB ASP A 16 -3.938 -15.254 -0.150 1.00 0.00 C ATOM 248 CG ASP A 16 -3.026 -14.517 -1.111 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.521 -14.057 -2.163 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.819 -14.403 -0.814 1.00 0.00 O ATOM 0 H ASP A 16 -5.121 -12.929 0.572 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.788 -15.178 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.603 -15.078 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.861 -16.326 -0.330 1.00 0.00 H new ATOM 255 N ASP A 17 -6.075 -16.747 1.028 1.00 0.00 N ATOM 256 CA ASP A 17 -6.809 -17.460 2.067 1.00 0.00 C ATOM 257 C ASP A 17 -6.485 -16.895 3.446 1.00 0.00 C ATOM 258 O ASP A 17 -7.328 -16.903 4.344 1.00 0.00 O ATOM 259 CB ASP A 17 -6.479 -18.952 2.022 1.00 0.00 C ATOM 260 CG ASP A 17 -7.463 -19.737 1.177 1.00 0.00 C ATOM 261 OD1 ASP A 17 -8.157 -19.118 0.344 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.539 -20.972 1.349 1.00 0.00 O ATOM 0 H ASP A 17 -5.447 -17.333 0.478 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.875 -17.327 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.474 -19.087 1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.476 -19.351 3.036 1.00 0.00 H new ATOM 267 N ASN A 18 -5.260 -16.406 3.607 1.00 0.00 N ATOM 268 CA ASN A 18 -4.825 -15.838 4.878 1.00 0.00 C ATOM 269 C ASN A 18 -5.295 -14.393 5.017 1.00 0.00 C ATOM 270 O ASN A 18 -5.658 -13.949 6.106 1.00 0.00 O ATOM 271 CB ASN A 18 -3.302 -15.903 4.993 1.00 0.00 C ATOM 272 CG ASN A 18 -2.815 -17.267 5.443 1.00 0.00 C ATOM 273 OD1 ASN A 18 -2.219 -17.404 6.512 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.065 -18.284 4.627 1.00 0.00 N ATOM 0 H ASN A 18 -4.551 -16.392 2.874 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.270 -16.425 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.857 -15.661 4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.961 -15.147 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.760 -19.225 4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.562 -18.125 3.751 1.00 0.00 H new ATOM 281 N GLY A 19 -5.285 -13.664 3.904 1.00 0.00 N ATOM 282 CA GLY A 19 -5.712 -12.277 3.923 1.00 0.00 C ATOM 283 C GLY A 19 -4.549 -11.312 3.798 1.00 0.00 C ATOM 284 O GLY A 19 -3.392 -11.702 3.940 1.00 0.00 O ATOM 0 H GLY A 19 -4.989 -14.009 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.413 -12.104 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.248 -12.077 4.851 1.00 0.00 H new ATOM 288 N PHE A 20 -4.860 -10.048 3.528 1.00 0.00 N ATOM 289 CA PHE A 20 -3.832 -9.024 3.381 1.00 0.00 C ATOM 290 C PHE A 20 -3.018 -8.883 4.663 1.00 0.00 C ATOM 291 O PHE A 20 -3.515 -8.385 5.674 1.00 0.00 O ATOM 292 CB PHE A 20 -4.468 -7.682 3.016 1.00 0.00 C ATOM 293 CG PHE A 20 -5.059 -7.654 1.636 1.00 0.00 C ATOM 294 CD1 PHE A 20 -4.335 -8.120 0.548 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.336 -7.163 1.424 1.00 0.00 C ATOM 296 CE1 PHE A 20 -4.876 -8.096 -0.722 1.00 0.00 C ATOM 297 CE2 PHE A 20 -6.882 -7.136 0.154 1.00 0.00 C ATOM 298 CZ PHE A 20 -6.151 -7.603 -0.920 1.00 0.00 C ATOM 0 H PHE A 20 -5.814 -9.709 3.407 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.161 -9.330 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.248 -7.449 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.715 -6.898 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.337 -8.506 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.913 -6.797 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.302 -8.463 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.879 -6.750 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.575 -7.583 -1.913 1.00 0.00 H new ATOM 308 N GLY A 21 -1.766 -9.325 4.616 1.00 0.00 N ATOM 309 CA GLY A 21 -0.903 -9.239 5.779 1.00 0.00 C ATOM 310 C GLY A 21 -0.448 -7.821 6.060 1.00 0.00 C ATOM 311 O GLY A 21 -0.202 -7.456 7.210 1.00 0.00 O ATOM 0 H GLY A 21 -1.333 -9.742 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.432 -9.627 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.030 -9.874 5.628 1.00 0.00 H new ATOM 315 N LEU A 22 -0.335 -7.019 5.006 1.00 0.00 N ATOM 316 CA LEU A 22 0.095 -5.632 5.144 1.00 0.00 C ATOM 317 C LEU A 22 -0.957 -4.808 5.879 1.00 0.00 C ATOM 318 O LEU A 22 -2.125 -4.788 5.494 1.00 0.00 O ATOM 319 CB LEU A 22 0.366 -5.022 3.767 1.00 0.00 C ATOM 320 CG LEU A 22 -0.846 -4.965 2.832 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.137 -3.529 2.419 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.620 -5.838 1.606 1.00 0.00 C ATOM 0 H LEU A 22 -0.535 -7.305 4.048 1.00 0.00 H new ATOM 0 HA LEU A 22 1.015 -5.618 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.748 -4.010 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.154 -5.597 3.281 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.712 -5.349 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.001 -3.509 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.347 -2.931 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.271 -3.117 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.492 -5.784 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.259 -5.486 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.464 -6.871 1.918 1.00 0.00 H new ATOM 334 N THR A 23 -0.533 -4.130 6.941 1.00 0.00 N ATOM 335 CA THR A 23 -1.440 -3.303 7.731 1.00 0.00 C ATOM 336 C THR A 23 -1.253 -1.825 7.406 1.00 0.00 C ATOM 337 O THR A 23 -0.129 -1.353 7.241 1.00 0.00 O ATOM 338 CB THR A 23 -1.210 -3.542 9.224 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.629 -4.814 9.446 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.479 -3.468 10.046 1.00 0.00 C ATOM 0 H THR A 23 0.431 -4.137 7.274 1.00 0.00 H new ATOM 0 HA THR A 23 -2.462 -3.585 7.477 1.00 0.00 H new ATOM 0 HB THR A 23 -0.542 -2.742 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.489 -4.946 10.407 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.244 -3.647 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.926 -2.480 9.938 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.183 -4.224 9.698 1.00 0.00 H new ATOM 348 N VAL A 24 -2.363 -1.100 7.315 1.00 0.00 N ATOM 349 CA VAL A 24 -2.323 0.326 7.009 1.00 0.00 C ATOM 350 C VAL A 24 -2.930 1.146 8.142 1.00 0.00 C ATOM 351 O VAL A 24 -3.982 0.800 8.677 1.00 0.00 O ATOM 352 CB VAL A 24 -3.075 0.641 5.702 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.360 0.022 4.511 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.514 0.152 5.783 1.00 0.00 C ATOM 0 H VAL A 24 -3.302 -1.476 7.449 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.274 0.596 6.889 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.090 1.722 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.906 0.255 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.350 0.426 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.311 -1.059 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.030 0.383 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.523 -0.926 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.021 0.648 6.611 1.00 0.00 H new ATOM 364 N SER A 25 -2.260 2.236 8.502 1.00 0.00 N ATOM 365 CA SER A 25 -2.734 3.105 9.571 1.00 0.00 C ATOM 366 C SER A 25 -2.317 4.551 9.326 1.00 0.00 C ATOM 367 O SER A 25 -1.159 4.829 9.014 1.00 0.00 O ATOM 368 CB SER A 25 -2.193 2.627 10.921 1.00 0.00 C ATOM 369 OG SER A 25 -3.158 2.796 11.947 1.00 0.00 O ATOM 0 H SER A 25 -1.387 2.538 8.069 1.00 0.00 H new ATOM 0 HA SER A 25 -3.823 3.060 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.911 1.576 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.290 3.183 11.172 1.00 0.00 H new ATOM 0 HG SER A 25 -2.789 2.482 12.799 1.00 0.00 H new ATOM 375 N GLY A 26 -3.268 5.469 9.470 1.00 0.00 N ATOM 376 CA GLY A 26 -2.980 6.874 9.260 1.00 0.00 C ATOM 377 C GLY A 26 -4.163 7.762 9.586 1.00 0.00 C ATOM 378 O GLY A 26 -5.250 7.586 9.036 1.00 0.00 O ATOM 0 H GLY A 26 -4.233 5.264 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.130 7.164 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.687 7.031 8.222 1.00 0.00 H new ATOM 382 N ASP A 27 -3.954 8.721 10.484 1.00 0.00 N ATOM 383 CA ASP A 27 -5.015 9.640 10.883 1.00 0.00 C ATOM 384 C ASP A 27 -5.569 10.385 9.673 1.00 0.00 C ATOM 385 O ASP A 27 -6.651 10.065 9.177 1.00 0.00 O ATOM 386 CB ASP A 27 -4.491 10.638 11.917 1.00 0.00 C ATOM 387 CG ASP A 27 -4.692 10.155 13.339 1.00 0.00 C ATOM 388 OD1 ASP A 27 -5.860 10.013 13.759 1.00 0.00 O ATOM 389 OD2 ASP A 27 -3.681 9.918 14.034 1.00 0.00 O ATOM 0 H ASP A 27 -3.060 8.882 10.949 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.821 9.057 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.430 10.814 11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.999 11.594 11.785 1.00 0.00 H new ATOM 394 N ASN A 28 -4.824 11.380 9.201 1.00 0.00 N ATOM 395 CA ASN A 28 -5.243 12.166 8.047 1.00 0.00 C ATOM 396 C ASN A 28 -4.932 11.428 6.745 1.00 0.00 C ATOM 397 O ASN A 28 -5.838 11.116 5.971 1.00 0.00 O ATOM 398 CB ASN A 28 -4.552 13.532 8.057 1.00 0.00 C ATOM 399 CG ASN A 28 -5.533 14.676 8.225 1.00 0.00 C ATOM 400 OD1 ASN A 28 -6.502 14.794 7.475 1.00 0.00 O ATOM 401 ND2 ASN A 28 -5.286 15.527 9.215 1.00 0.00 N ATOM 0 H ASN A 28 -3.928 11.660 9.600 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.321 12.314 8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.823 13.561 8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.001 13.664 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.912 16.316 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.471 15.391 9.813 1.00 0.00 H new ATOM 408 N PRO A 29 -3.647 11.133 6.489 1.00 0.00 N ATOM 409 CA PRO A 29 -3.227 10.428 5.277 1.00 0.00 C ATOM 410 C PRO A 29 -3.471 8.926 5.365 1.00 0.00 C ATOM 411 O PRO A 29 -4.159 8.452 6.270 1.00 0.00 O ATOM 412 CB PRO A 29 -1.729 10.722 5.212 1.00 0.00 C ATOM 413 CG PRO A 29 -1.318 10.871 6.637 1.00 0.00 C ATOM 414 CD PRO A 29 -2.500 11.465 7.359 1.00 0.00 C ATOM 0 HA PRO A 29 -3.783 10.753 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.186 9.912 4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.527 11.629 4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.045 9.907 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.444 11.517 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.616 11.038 8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.392 12.542 7.485 1.00 0.00 H new ATOM 422 N VAL A 30 -2.901 8.182 4.423 1.00 0.00 N ATOM 423 CA VAL A 30 -3.054 6.731 4.396 1.00 0.00 C ATOM 424 C VAL A 30 -1.790 6.058 3.873 1.00 0.00 C ATOM 425 O VAL A 30 -1.588 5.950 2.664 1.00 0.00 O ATOM 426 CB VAL A 30 -4.248 6.307 3.520 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.526 4.820 3.677 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.483 7.126 3.866 1.00 0.00 C ATOM 0 H VAL A 30 -2.329 8.560 3.668 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.236 6.412 5.422 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.994 6.497 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.373 4.540 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.647 4.251 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.758 4.601 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.316 6.812 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.741 6.971 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.278 8.183 3.696 1.00 0.00 H new ATOM 438 N PHE A 31 -0.943 5.610 4.794 1.00 0.00 N ATOM 439 CA PHE A 31 0.305 4.950 4.425 1.00 0.00 C ATOM 440 C PHE A 31 0.414 3.580 5.088 1.00 0.00 C ATOM 441 O PHE A 31 -0.038 3.388 6.217 1.00 0.00 O ATOM 442 CB PHE A 31 1.500 5.817 4.826 1.00 0.00 C ATOM 443 CG PHE A 31 1.461 6.266 6.259 1.00 0.00 C ATOM 444 CD1 PHE A 31 2.041 5.499 7.255 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.843 7.456 6.608 1.00 0.00 C ATOM 446 CE1 PHE A 31 2.007 5.910 8.574 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.805 7.873 7.925 1.00 0.00 C ATOM 448 CZ PHE A 31 1.388 7.098 8.909 1.00 0.00 C ATOM 0 H PHE A 31 -1.097 5.691 5.799 1.00 0.00 H new ATOM 0 HA PHE A 31 0.308 4.812 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.419 5.257 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.536 6.694 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.526 4.569 6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.386 8.065 5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.464 5.303 9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.321 8.803 8.184 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.360 7.421 9.939 1.00 0.00 H new ATOM 458 N VAL A 32 1.015 2.633 4.378 1.00 0.00 N ATOM 459 CA VAL A 32 1.185 1.281 4.896 1.00 0.00 C ATOM 460 C VAL A 32 2.314 1.226 5.920 1.00 0.00 C ATOM 461 O VAL A 32 3.463 1.544 5.610 1.00 0.00 O ATOM 462 CB VAL A 32 1.484 0.278 3.768 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.376 -1.151 4.279 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.550 0.503 2.586 1.00 0.00 C ATOM 0 H VAL A 32 1.393 2.776 3.442 1.00 0.00 H new ATOM 0 HA VAL A 32 0.245 1.006 5.375 1.00 0.00 H new ATOM 0 HB VAL A 32 2.506 0.441 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.591 -1.845 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.092 -1.304 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.367 -1.329 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.778 -0.217 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.483 0.372 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.685 1.514 2.203 1.00 0.00 H new ATOM 474 N GLN A 33 1.980 0.821 7.142 1.00 0.00 N ATOM 475 CA GLN A 33 2.966 0.725 8.213 1.00 0.00 C ATOM 476 C GLN A 33 3.687 -0.619 8.167 1.00 0.00 C ATOM 477 O GLN A 33 4.916 -0.676 8.218 1.00 0.00 O ATOM 478 CB GLN A 33 2.291 0.909 9.574 1.00 0.00 C ATOM 479 CG GLN A 33 3.203 1.511 10.630 1.00 0.00 C ATOM 480 CD GLN A 33 2.956 0.935 12.011 1.00 0.00 C ATOM 481 OE1 GLN A 33 3.883 0.478 12.680 1.00 0.00 O ATOM 482 NE2 GLN A 33 1.701 0.955 12.445 1.00 0.00 N ATOM 0 H GLN A 33 1.034 0.554 7.415 1.00 0.00 H new ATOM 0 HA GLN A 33 3.701 1.517 8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.417 1.549 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.931 -0.058 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.242 1.338 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.056 2.591 10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.964 1.344 11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.474 0.582 13.367 1.00 0.00 H new ATOM 491 N SER A 34 2.915 -1.697 8.074 1.00 0.00 N ATOM 492 CA SER A 34 3.479 -3.040 8.021 1.00 0.00 C ATOM 493 C SER A 34 3.114 -3.730 6.711 1.00 0.00 C ATOM 494 O SER A 34 2.015 -3.545 6.187 1.00 0.00 O ATOM 495 CB SER A 34 2.984 -3.870 9.207 1.00 0.00 C ATOM 496 OG SER A 34 3.995 -4.009 10.191 1.00 0.00 O ATOM 0 H SER A 34 1.896 -1.666 8.034 1.00 0.00 H new ATOM 0 HA SER A 34 4.564 -2.956 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.107 -3.394 9.647 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.672 -4.855 8.860 1.00 0.00 H new ATOM 0 HG SER A 34 3.653 -4.542 10.939 1.00 0.00 H new ATOM 502 N VAL A 35 4.041 -4.524 6.187 1.00 0.00 N ATOM 503 CA VAL A 35 3.813 -5.239 4.936 1.00 0.00 C ATOM 504 C VAL A 35 4.301 -6.681 5.027 1.00 0.00 C ATOM 505 O VAL A 35 5.387 -6.949 5.540 1.00 0.00 O ATOM 506 CB VAL A 35 4.520 -4.547 3.757 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.904 -3.182 3.492 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.012 -4.424 4.026 1.00 0.00 C ATOM 0 H VAL A 35 4.956 -4.689 6.608 1.00 0.00 H new ATOM 0 HA VAL A 35 2.737 -5.232 4.762 1.00 0.00 H new ATOM 0 HB VAL A 35 4.385 -5.160 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.417 -2.708 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.848 -3.300 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.006 -2.558 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.495 -3.932 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.172 -3.834 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.440 -5.417 4.161 1.00 0.00 H new ATOM 518 N LYS A 36 3.492 -7.604 4.520 1.00 0.00 N ATOM 519 CA LYS A 36 3.840 -9.020 4.536 1.00 0.00 C ATOM 520 C LYS A 36 5.071 -9.283 3.673 1.00 0.00 C ATOM 521 O LYS A 36 5.031 -9.112 2.455 1.00 0.00 O ATOM 522 CB LYS A 36 2.660 -9.859 4.037 1.00 0.00 C ATOM 523 CG LYS A 36 2.320 -11.033 4.941 1.00 0.00 C ATOM 524 CD LYS A 36 3.443 -12.058 4.973 1.00 0.00 C ATOM 525 CE LYS A 36 2.918 -13.469 4.766 1.00 0.00 C ATOM 526 NZ LYS A 36 2.454 -14.080 6.043 1.00 0.00 N ATOM 0 H LYS A 36 2.589 -7.397 4.092 1.00 0.00 H new ATOM 0 HA LYS A 36 4.070 -9.305 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.783 -9.218 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.888 -10.234 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.128 -10.671 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.403 -11.508 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.173 -11.823 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.963 -11.999 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.094 -13.449 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.702 -14.088 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.103 -15.042 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.246 -14.122 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.688 -13.503 6.446 1.00 0.00 H new ATOM 540 N GLU A 37 6.160 -9.697 4.308 1.00 0.00 N ATOM 541 CA GLU A 37 7.397 -9.979 3.591 1.00 0.00 C ATOM 542 C GLU A 37 7.533 -11.470 3.302 1.00 0.00 C ATOM 543 O GLU A 37 8.617 -12.042 3.419 1.00 0.00 O ATOM 544 CB GLU A 37 8.605 -9.489 4.395 1.00 0.00 C ATOM 545 CG GLU A 37 8.791 -7.981 4.353 1.00 0.00 C ATOM 546 CD GLU A 37 9.407 -7.506 3.051 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.074 -8.080 1.993 1.00 0.00 O ATOM 548 OE2 GLU A 37 10.219 -6.559 3.091 1.00 0.00 O ATOM 0 H GLU A 37 6.212 -9.845 5.316 1.00 0.00 H new ATOM 0 HA GLU A 37 7.364 -9.446 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.493 -9.804 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.505 -9.969 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.825 -7.495 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.425 -7.673 5.184 1.00 0.00 H new ATOM 555 N ASP A 38 6.423 -12.090 2.924 1.00 0.00 N ATOM 556 CA ASP A 38 6.409 -13.514 2.612 1.00 0.00 C ATOM 557 C ASP A 38 5.032 -13.944 2.122 1.00 0.00 C ATOM 558 O ASP A 38 4.585 -15.060 2.390 1.00 0.00 O ATOM 559 CB ASP A 38 6.804 -14.333 3.843 1.00 0.00 C ATOM 560 CG ASP A 38 7.152 -15.766 3.497 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.108 -15.975 2.720 1.00 0.00 O ATOM 562 OD2 ASP A 38 6.470 -16.682 4.004 1.00 0.00 O ATOM 0 H ASP A 38 5.519 -11.629 2.826 1.00 0.00 H new ATOM 0 HA ASP A 38 7.134 -13.696 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.658 -13.862 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.983 -14.324 4.560 1.00 0.00 H new ATOM 567 N GLY A 39 4.361 -13.051 1.402 1.00 0.00 N ATOM 568 CA GLY A 39 3.040 -13.358 0.887 1.00 0.00 C ATOM 569 C GLY A 39 2.606 -12.409 -0.212 1.00 0.00 C ATOM 570 O GLY A 39 3.403 -12.037 -1.073 1.00 0.00 O ATOM 0 H GLY A 39 4.708 -12.121 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.032 -14.379 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.318 -13.317 1.703 1.00 0.00 H new ATOM 574 N ALA A 40 1.335 -12.020 -0.184 1.00 0.00 N ATOM 575 CA ALA A 40 0.791 -11.110 -1.185 1.00 0.00 C ATOM 576 C ALA A 40 1.516 -9.768 -1.167 1.00 0.00 C ATOM 577 O ALA A 40 1.879 -9.235 -2.214 1.00 0.00 O ATOM 578 CB ALA A 40 -0.700 -10.909 -0.959 1.00 0.00 C ATOM 0 H ALA A 40 0.663 -12.321 0.521 1.00 0.00 H new ATOM 0 HA ALA A 40 0.944 -11.559 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.094 -10.227 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.212 -11.868 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.864 -10.487 0.032 1.00 0.00 H new ATOM 584 N ALA A 41 1.722 -9.228 0.029 1.00 0.00 N ATOM 585 CA ALA A 41 2.402 -7.947 0.181 1.00 0.00 C ATOM 586 C ALA A 41 3.809 -8.000 -0.407 1.00 0.00 C ATOM 587 O ALA A 41 4.215 -7.108 -1.153 1.00 0.00 O ATOM 588 CB ALA A 41 2.451 -7.545 1.648 1.00 0.00 C ATOM 0 H ALA A 41 1.428 -9.657 0.907 1.00 0.00 H new ATOM 0 HA ALA A 41 1.836 -7.195 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.961 -6.587 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.436 -7.457 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.991 -8.303 2.215 1.00 0.00 H new ATOM 594 N MET A 42 4.549 -9.050 -0.067 1.00 0.00 N ATOM 595 CA MET A 42 5.910 -9.217 -0.563 1.00 0.00 C ATOM 596 C MET A 42 5.915 -9.407 -2.074 1.00 0.00 C ATOM 597 O MET A 42 6.757 -8.847 -2.778 1.00 0.00 O ATOM 598 CB MET A 42 6.580 -10.413 0.116 1.00 0.00 C ATOM 599 CG MET A 42 8.099 -10.367 0.068 1.00 0.00 C ATOM 600 SD MET A 42 8.758 -10.881 -1.529 1.00 0.00 S ATOM 601 CE MET A 42 9.908 -9.549 -1.864 1.00 0.00 C ATOM 0 H MET A 42 4.230 -9.797 0.549 1.00 0.00 H new ATOM 0 HA MET A 42 6.471 -8.313 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.259 -10.456 1.157 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.237 -11.331 -0.362 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.435 -9.353 0.286 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.503 -11.012 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.398 -9.723 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.368 -8.603 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.659 -9.509 -1.075 1.00 0.00 H new ATOM 611 N ARG A 43 4.971 -10.199 -2.568 1.00 0.00 N ATOM 612 CA ARG A 43 4.864 -10.463 -3.999 1.00 0.00 C ATOM 613 C ARG A 43 4.349 -9.234 -4.741 1.00 0.00 C ATOM 614 O ARG A 43 4.680 -9.017 -5.905 1.00 0.00 O ATOM 615 CB ARG A 43 3.936 -11.653 -4.250 1.00 0.00 C ATOM 616 CG ARG A 43 4.213 -12.373 -5.561 1.00 0.00 C ATOM 617 CD ARG A 43 3.655 -13.787 -5.547 1.00 0.00 C ATOM 618 NE ARG A 43 4.173 -14.590 -6.653 1.00 0.00 N ATOM 619 CZ ARG A 43 3.610 -15.720 -7.074 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.514 -16.183 -6.487 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.146 -16.390 -8.086 1.00 0.00 N ATOM 0 H ARG A 43 4.268 -10.670 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 43 5.859 -10.701 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.036 -12.361 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.903 -11.305 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.770 -11.814 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.288 -12.406 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.907 -14.267 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.567 -13.748 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 43 5.014 -14.266 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.098 -15.672 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.087 -17.050 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.989 -16.039 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.715 -17.256 -8.409 1.00 0.00 H new ATOM 635 N ALA A 44 3.539 -8.432 -4.056 1.00 0.00 N ATOM 636 CA ALA A 44 2.978 -7.224 -4.650 1.00 0.00 C ATOM 637 C ALA A 44 4.041 -6.139 -4.810 1.00 0.00 C ATOM 638 O ALA A 44 3.845 -5.171 -5.545 1.00 0.00 O ATOM 639 CB ALA A 44 1.822 -6.711 -3.806 1.00 0.00 C ATOM 0 H ALA A 44 3.257 -8.597 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 44 2.607 -7.478 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.412 -5.809 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.046 -7.474 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.178 -6.482 -2.802 1.00 0.00 H new ATOM 645 N GLY A 45 5.168 -6.305 -4.121 1.00 0.00 N ATOM 646 CA GLY A 45 6.239 -5.330 -4.207 1.00 0.00 C ATOM 647 C GLY A 45 5.983 -4.102 -3.354 1.00 0.00 C ATOM 648 O GLY A 45 6.375 -2.995 -3.719 1.00 0.00 O ATOM 0 H GLY A 45 5.357 -7.097 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.174 -5.795 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.365 -5.026 -5.246 1.00 0.00 H new ATOM 652 N VAL A 46 5.327 -4.299 -2.215 1.00 0.00 N ATOM 653 CA VAL A 46 5.024 -3.196 -1.311 1.00 0.00 C ATOM 654 C VAL A 46 6.143 -2.999 -0.294 1.00 0.00 C ATOM 655 O VAL A 46 6.805 -3.955 0.109 1.00 0.00 O ATOM 656 CB VAL A 46 3.693 -3.426 -0.565 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.769 -4.673 0.305 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.329 -2.205 0.267 1.00 0.00 C ATOM 0 H VAL A 46 4.996 -5.210 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 46 4.933 -2.299 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 46 2.908 -3.580 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.820 -4.815 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.975 -5.541 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.567 -4.557 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.388 -2.386 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.115 -2.015 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.223 -1.338 -0.386 1.00 0.00 H new ATOM 668 N GLN A 47 6.354 -1.752 0.115 1.00 0.00 N ATOM 669 CA GLN A 47 7.397 -1.429 1.083 1.00 0.00 C ATOM 670 C GLN A 47 6.793 -0.977 2.409 1.00 0.00 C ATOM 671 O GLN A 47 5.616 -0.622 2.479 1.00 0.00 O ATOM 672 CB GLN A 47 8.315 -0.338 0.530 1.00 0.00 C ATOM 673 CG GLN A 47 7.574 0.904 0.060 1.00 0.00 C ATOM 674 CD GLN A 47 7.817 1.210 -1.404 1.00 0.00 C ATOM 675 OE1 GLN A 47 8.636 2.062 -1.746 1.00 0.00 O ATOM 676 NE2 GLN A 47 7.101 0.514 -2.281 1.00 0.00 N ATOM 0 H GLN A 47 5.816 -0.948 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 47 7.981 -2.332 1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.031 -0.053 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.888 -0.745 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.505 0.769 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.885 1.758 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.432 -0.184 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.220 0.677 -3.281 1.00 0.00 H new ATOM 685 N THR A 48 7.611 -0.990 3.458 1.00 0.00 N ATOM 686 CA THR A 48 7.161 -0.580 4.783 1.00 0.00 C ATOM 687 C THR A 48 7.162 0.940 4.907 1.00 0.00 C ATOM 688 O THR A 48 8.171 1.594 4.644 1.00 0.00 O ATOM 689 CB THR A 48 8.058 -1.192 5.860 1.00 0.00 C ATOM 690 OG1 THR A 48 8.573 -2.440 5.434 1.00 0.00 O ATOM 691 CG2 THR A 48 7.345 -1.416 7.176 1.00 0.00 C ATOM 0 H THR A 48 8.588 -1.280 3.415 1.00 0.00 H new ATOM 0 HA THR A 48 6.141 -0.939 4.923 1.00 0.00 H new ATOM 0 HB THR A 48 8.857 -0.467 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.145 -2.814 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.038 -1.852 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.977 -0.463 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.505 -2.094 7.024 1.00 0.00 H new ATOM 699 N GLY A 49 6.023 1.496 5.307 1.00 0.00 N ATOM 700 CA GLY A 49 5.914 2.935 5.457 1.00 0.00 C ATOM 701 C GLY A 49 5.623 3.632 4.142 1.00 0.00 C ATOM 702 O GLY A 49 6.005 4.786 3.943 1.00 0.00 O ATOM 0 H GLY A 49 5.174 0.976 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.122 3.164 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.842 3.326 5.875 1.00 0.00 H new ATOM 706 N ASP A 50 4.944 2.928 3.241 1.00 0.00 N ATOM 707 CA ASP A 50 4.601 3.483 1.936 1.00 0.00 C ATOM 708 C ASP A 50 3.378 4.388 2.033 1.00 0.00 C ATOM 709 O ASP A 50 2.431 4.092 2.761 1.00 0.00 O ATOM 710 CB ASP A 50 4.340 2.357 0.934 1.00 0.00 C ATOM 711 CG ASP A 50 4.670 2.761 -0.490 1.00 0.00 C ATOM 712 OD1 ASP A 50 4.433 3.935 -0.843 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.164 1.904 -1.250 1.00 0.00 O ATOM 0 H ASP A 50 4.621 1.972 3.391 1.00 0.00 H new ATOM 0 HA ASP A 50 5.444 4.081 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.934 1.485 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.293 2.059 0.991 1.00 0.00 H new ATOM 718 N ARG A 51 3.401 5.492 1.293 1.00 0.00 N ATOM 719 CA ARG A 51 2.291 6.437 1.296 1.00 0.00 C ATOM 720 C ARG A 51 1.318 6.135 0.159 1.00 0.00 C ATOM 721 O ARG A 51 1.732 5.894 -0.974 1.00 0.00 O ATOM 722 CB ARG A 51 2.812 7.870 1.167 1.00 0.00 C ATOM 723 CG ARG A 51 1.882 8.912 1.767 1.00 0.00 C ATOM 724 CD ARG A 51 1.903 10.204 0.965 1.00 0.00 C ATOM 725 NE ARG A 51 2.836 11.180 1.521 1.00 0.00 N ATOM 726 CZ ARG A 51 2.948 12.431 1.082 1.00 0.00 C ATOM 727 NH1 ARG A 51 2.190 12.862 0.082 1.00 0.00 N ATOM 728 NH2 ARG A 51 3.823 13.254 1.645 1.00 0.00 N ATOM 0 H ARG A 51 4.176 5.754 0.684 1.00 0.00 H new ATOM 0 HA ARG A 51 1.762 6.334 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.784 7.939 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.967 8.098 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.866 8.519 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.178 9.116 2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.179 9.986 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.901 10.633 0.943 1.00 0.00 H new ATOM 0 HE ARG A 51 3.437 10.886 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.516 12.233 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.281 13.822 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.409 12.927 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.910 14.213 1.309 1.00 0.00 H new ATOM 742 N ILE A 52 0.027 6.146 0.470 1.00 0.00 N ATOM 743 CA ILE A 52 -0.999 5.871 -0.529 1.00 0.00 C ATOM 744 C ILE A 52 -1.659 7.158 -1.011 1.00 0.00 C ATOM 745 O ILE A 52 -2.277 7.882 -0.230 1.00 0.00 O ATOM 746 CB ILE A 52 -2.084 4.927 0.024 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.439 3.714 0.699 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.019 4.484 -1.091 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.395 2.927 1.569 1.00 0.00 C ATOM 0 H ILE A 52 -0.334 6.342 1.404 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.499 5.387 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.669 5.466 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.032 3.055 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.600 4.051 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.780 3.818 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.500 5.358 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.449 3.959 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.870 2.082 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.783 3.571 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.222 2.560 0.961 1.00 0.00 H new ATOM 761 N ILE A 53 -1.527 7.436 -2.306 1.00 0.00 N ATOM 762 CA ILE A 53 -2.111 8.634 -2.893 1.00 0.00 C ATOM 763 C ILE A 53 -3.562 8.392 -3.298 1.00 0.00 C ATOM 764 O ILE A 53 -4.434 9.225 -3.052 1.00 0.00 O ATOM 765 CB ILE A 53 -1.318 9.102 -4.128 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.175 9.177 -3.803 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.830 10.451 -4.608 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.947 7.945 -4.221 1.00 0.00 C ATOM 0 H ILE A 53 -1.020 6.847 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.071 9.412 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.461 8.377 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.603 10.049 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.298 9.326 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.259 10.767 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.884 10.366 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.715 11.188 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.998 8.068 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.545 7.072 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.855 7.806 -5.298 1.00 0.00 H new ATOM 780 N LYS A 54 -3.813 7.243 -3.921 1.00 0.00 N ATOM 781 CA LYS A 54 -5.159 6.891 -4.358 1.00 0.00 C ATOM 782 C LYS A 54 -5.353 5.379 -4.359 1.00 0.00 C ATOM 783 O LYS A 54 -4.412 4.623 -4.598 1.00 0.00 O ATOM 784 CB LYS A 54 -5.431 7.456 -5.754 1.00 0.00 C ATOM 785 CG LYS A 54 -4.276 7.264 -6.725 1.00 0.00 C ATOM 786 CD LYS A 54 -4.439 8.133 -7.962 1.00 0.00 C ATOM 787 CE LYS A 54 -3.802 9.500 -7.770 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.622 10.587 -8.373 1.00 0.00 N ATOM 0 H LYS A 54 -3.103 6.542 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.868 7.328 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.321 6.978 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.650 8.520 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.337 7.508 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.217 6.216 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.985 7.636 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.499 8.253 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.671 9.693 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.809 9.503 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.152 11.502 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.726 10.418 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.561 10.601 -7.927 1.00 0.00 H new ATOM 802 N VAL A 55 -6.580 4.945 -4.089 1.00 0.00 N ATOM 803 CA VAL A 55 -6.898 3.522 -4.057 1.00 0.00 C ATOM 804 C VAL A 55 -8.060 3.197 -4.989 1.00 0.00 C ATOM 805 O VAL A 55 -9.171 3.697 -4.811 1.00 0.00 O ATOM 806 CB VAL A 55 -7.254 3.059 -2.632 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.050 3.188 -1.710 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.437 3.849 -2.093 1.00 0.00 C ATOM 0 H VAL A 55 -7.370 5.558 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.007 2.991 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.538 2.007 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.322 2.856 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.235 2.571 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.730 4.229 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.674 3.508 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.185 4.909 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.301 3.697 -2.740 1.00 0.00 H new ATOM 818 N ASN A 56 -7.798 2.354 -5.983 1.00 0.00 N ATOM 819 CA ASN A 56 -8.823 1.959 -6.943 1.00 0.00 C ATOM 820 C ASN A 56 -9.408 3.179 -7.649 1.00 0.00 C ATOM 821 O ASN A 56 -10.626 3.325 -7.755 1.00 0.00 O ATOM 822 CB ASN A 56 -9.936 1.179 -6.237 1.00 0.00 C ATOM 823 CG ASN A 56 -9.481 -0.191 -5.778 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.320 -0.565 -5.956 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.394 -0.949 -5.182 1.00 0.00 N ATOM 0 H ASN A 56 -6.884 1.931 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.358 1.319 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.286 1.749 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.784 1.069 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.146 -1.881 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.344 -0.599 -5.055 1.00 0.00 H new ATOM 832 N GLY A 57 -8.532 4.054 -8.131 1.00 0.00 N ATOM 833 CA GLY A 57 -8.979 5.250 -8.821 1.00 0.00 C ATOM 834 C GLY A 57 -9.768 6.178 -7.919 1.00 0.00 C ATOM 835 O GLY A 57 -10.628 6.924 -8.385 1.00 0.00 O ATOM 0 H GLY A 57 -7.519 3.956 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.114 5.782 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.596 4.965 -9.673 1.00 0.00 H new ATOM 839 N THR A 58 -9.475 6.131 -6.623 1.00 0.00 N ATOM 840 CA THR A 58 -10.162 6.974 -5.653 1.00 0.00 C ATOM 841 C THR A 58 -9.168 7.620 -4.692 1.00 0.00 C ATOM 842 O THR A 58 -8.653 6.966 -3.785 1.00 0.00 O ATOM 843 CB THR A 58 -11.189 6.153 -4.868 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.980 5.374 -5.746 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.124 7.003 -4.037 1.00 0.00 C ATOM 0 H THR A 58 -8.766 5.518 -6.221 1.00 0.00 H new ATOM 0 HA THR A 58 -10.679 7.764 -6.198 1.00 0.00 H new ATOM 0 HB THR A 58 -10.606 5.523 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.630 4.855 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.826 6.360 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.546 7.582 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.675 7.681 -4.689 1.00 0.00 H new ATOM 945 N HIS A 65 -9.658 4.506 8.724 1.00 0.00 N ATOM 946 CA HIS A 65 -9.189 3.124 8.717 1.00 0.00 C ATOM 947 C HIS A 65 -10.272 2.185 8.199 1.00 0.00 C ATOM 948 O HIS A 65 -10.040 1.397 7.279 1.00 0.00 O ATOM 949 CB HIS A 65 -8.764 2.703 10.125 1.00 0.00 C ATOM 950 CG HIS A 65 -7.765 1.588 10.141 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.112 0.264 9.975 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.420 1.605 10.304 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.025 -0.484 10.035 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.986 0.305 10.233 1.00 0.00 N ATOM 0 HA HIS A 65 -8.329 3.061 8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.342 3.565 10.641 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.647 2.397 10.686 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.804 2.478 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.992 -1.559 9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.017 -0.002 10.319 1.00 0.00 H new ATOM 963 N LEU A 66 -11.459 2.273 8.792 1.00 0.00 N ATOM 964 CA LEU A 66 -12.582 1.433 8.389 1.00 0.00 C ATOM 965 C LEU A 66 -12.869 1.593 6.901 1.00 0.00 C ATOM 966 O LEU A 66 -13.103 0.611 6.195 1.00 0.00 O ATOM 967 CB LEU A 66 -13.828 1.784 9.206 1.00 0.00 C ATOM 968 CG LEU A 66 -14.618 0.584 9.731 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.981 -0.356 8.590 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.822 -0.153 10.797 1.00 0.00 C ATOM 0 H LEU A 66 -11.668 2.918 9.554 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.316 0.393 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.526 2.400 10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.489 2.393 8.589 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.540 0.950 10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.543 -1.204 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.590 0.177 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.070 -0.715 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.399 -1.004 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.883 -0.507 10.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.612 0.522 11.626 1.00 0.00 H new ATOM 982 N GLU A 67 -12.841 2.835 6.427 1.00 0.00 N ATOM 983 CA GLU A 67 -13.090 3.115 5.019 1.00 0.00 C ATOM 984 C GLU A 67 -12.033 2.446 4.150 1.00 0.00 C ATOM 985 O GLU A 67 -12.350 1.829 3.134 1.00 0.00 O ATOM 986 CB GLU A 67 -13.097 4.625 4.767 1.00 0.00 C ATOM 987 CG GLU A 67 -14.255 5.349 5.434 1.00 0.00 C ATOM 988 CD GLU A 67 -15.604 4.910 4.896 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.010 3.762 5.177 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.253 5.713 4.194 1.00 0.00 O ATOM 0 H GLU A 67 -12.649 3.660 6.996 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.068 2.712 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.159 5.049 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.137 4.805 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.220 5.170 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.141 6.423 5.286 1.00 0.00 H new ATOM 997 N VAL A 68 -10.777 2.555 4.570 1.00 0.00 N ATOM 998 CA VAL A 68 -9.676 1.947 3.839 1.00 0.00 C ATOM 999 C VAL A 68 -9.821 0.431 3.842 1.00 0.00 C ATOM 1000 O VAL A 68 -9.700 -0.222 2.803 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.312 2.328 4.447 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.173 1.801 3.586 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.209 3.837 4.620 1.00 0.00 C ATOM 0 H VAL A 68 -10.498 3.059 5.412 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.713 2.323 2.816 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.232 1.866 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.219 2.081 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.238 0.715 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.245 2.229 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.240 4.089 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.312 4.322 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.001 4.182 5.284 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.101 -0.121 5.020 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.283 -1.558 5.160 1.00 0.00 C ATOM 1015 C VAL A 69 -11.446 -2.028 4.296 1.00 0.00 C ATOM 1016 O VAL A 69 -11.352 -3.045 3.608 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.550 -1.956 6.625 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.514 -3.468 6.782 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.545 -1.289 7.554 1.00 0.00 C ATOM 0 H VAL A 69 -10.206 0.406 5.887 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.360 -2.037 4.834 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.546 -1.610 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.705 -3.730 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.278 -3.918 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.533 -3.841 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.750 -1.583 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.536 -1.600 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.628 -0.206 7.462 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.537 -1.269 4.325 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.713 -1.599 3.532 1.00 0.00 C ATOM 1031 C LYS A 70 -13.399 -1.478 2.046 1.00 0.00 C ATOM 1032 O LYS A 70 -13.837 -2.296 1.239 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.881 -0.681 3.898 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.245 -1.298 3.639 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.364 -0.295 3.871 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.610 -0.069 5.354 1.00 0.00 C ATOM 1037 NZ LYS A 70 -16.911 1.145 5.856 1.00 0.00 N ATOM 0 H LYS A 70 -12.630 -0.424 4.888 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.997 -2.629 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.806 -0.415 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.796 0.245 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.291 -1.665 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.386 -2.159 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.110 0.652 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.279 -0.654 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.681 0.029 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.271 -0.940 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.308 1.418 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.897 0.942 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.039 1.924 5.179 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.627 -0.454 1.694 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.243 -0.231 0.306 1.00 0.00 C ATOM 1053 C LEU A 71 -11.360 -1.370 -0.190 1.00 0.00 C ATOM 1054 O LEU A 71 -11.588 -1.924 -1.266 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.510 1.106 0.158 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.038 2.013 -0.954 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.008 1.290 -2.292 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.448 2.485 -0.632 1.00 0.00 C ATOM 0 H LEU A 71 -12.256 0.233 2.350 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.149 -0.200 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.571 1.643 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.455 0.906 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.390 2.887 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.387 1.951 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.983 1.002 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.632 0.398 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.808 3.129 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.107 1.622 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.440 3.042 0.305 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.353 -1.720 0.606 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.444 -2.800 0.246 1.00 0.00 C ATOM 1072 C ILE A 72 -10.160 -4.147 0.296 1.00 0.00 C ATOM 1073 O ILE A 72 -9.961 -5.000 -0.567 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.220 -2.844 1.182 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.550 -1.471 1.245 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.227 -3.899 0.712 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.806 -1.221 2.538 1.00 0.00 C ATOM 0 H ILE A 72 -10.148 -1.273 1.500 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.101 -2.606 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.559 -3.112 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.855 -1.376 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.309 -0.699 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.369 -3.916 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.708 -4.877 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.892 -3.660 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.356 -0.229 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.501 -1.283 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.024 -1.971 2.659 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.999 -4.325 1.312 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.750 -5.564 1.477 1.00 0.00 C ATOM 1091 C LYS A 73 -12.898 -5.652 0.473 1.00 0.00 C ATOM 1092 O LYS A 73 -13.414 -6.736 0.203 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.298 -5.666 2.902 1.00 0.00 C ATOM 1094 CG LYS A 73 -12.898 -7.024 3.227 1.00 0.00 C ATOM 1095 CD LYS A 73 -12.485 -7.502 4.611 1.00 0.00 C ATOM 1096 CE LYS A 73 -13.234 -8.761 5.012 1.00 0.00 C ATOM 1097 NZ LYS A 73 -14.666 -8.487 5.312 1.00 0.00 N ATOM 0 H LYS A 73 -11.176 -3.626 2.034 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.069 -6.395 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.494 -5.455 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.058 -4.898 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.985 -6.965 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.580 -7.751 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.412 -7.696 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.677 -6.715 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.166 -9.495 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.758 -9.202 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.098 -9.330 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.735 -7.687 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.166 -8.252 4.431 1.00 0.00 H new ATOM 1111 N SER A 74 -13.294 -4.506 -0.077 1.00 0.00 N ATOM 1112 CA SER A 74 -14.384 -4.457 -1.049 1.00 0.00 C ATOM 1113 C SER A 74 -14.173 -5.470 -2.171 1.00 0.00 C ATOM 1114 O SER A 74 -15.134 -5.965 -2.761 1.00 0.00 O ATOM 1115 CB SER A 74 -14.505 -3.049 -1.637 1.00 0.00 C ATOM 1116 OG SER A 74 -15.561 -2.979 -2.579 1.00 0.00 O ATOM 0 H SER A 74 -12.877 -3.599 0.134 1.00 0.00 H new ATOM 0 HA SER A 74 -15.307 -4.712 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.680 -2.331 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.567 -2.770 -2.116 1.00 0.00 H new ATOM 0 HG SER A 74 -15.619 -2.069 -2.939 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.912 -5.774 -2.464 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.606 -6.727 -3.515 1.00 0.00 C ATOM 1124 C GLY A 75 -11.309 -7.472 -3.267 1.00 0.00 C ATOM 1125 O GLY A 75 -10.451 -7.004 -2.518 1.00 0.00 O ATOM 0 H GLY A 75 -12.098 -5.378 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.422 -7.444 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.543 -6.203 -4.469 1.00 0.00 H new ATOM 1129 N SER A 76 -11.168 -8.632 -3.896 1.00 0.00 N ATOM 1130 CA SER A 76 -9.967 -9.446 -3.743 1.00 0.00 C ATOM 1131 C SER A 76 -8.746 -8.723 -4.302 1.00 0.00 C ATOM 1132 O SER A 76 -7.697 -8.668 -3.661 1.00 0.00 O ATOM 1133 CB SER A 76 -10.145 -10.793 -4.446 1.00 0.00 C ATOM 1134 OG SER A 76 -10.639 -10.619 -5.763 1.00 0.00 O ATOM 0 H SER A 76 -11.871 -9.031 -4.518 1.00 0.00 H new ATOM 0 HA SER A 76 -9.808 -9.619 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.191 -11.319 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.833 -11.417 -3.875 1.00 0.00 H new ATOM 0 HG SER A 76 -10.743 -11.494 -6.192 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.892 -8.169 -5.502 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.801 -7.448 -6.148 1.00 0.00 C ATOM 1142 C TYR A 77 -7.916 -5.949 -5.891 1.00 0.00 C ATOM 1143 O TYR A 77 -8.843 -5.297 -6.371 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.800 -7.722 -7.652 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.279 -9.093 -8.019 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.828 -10.239 -7.457 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.237 -9.240 -8.927 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.353 -11.494 -7.790 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.758 -10.491 -9.264 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.318 -11.615 -8.693 1.00 0.00 C ATOM 1151 OH TYR A 77 -5.843 -12.863 -9.027 1.00 0.00 O ATOM 0 H TYR A 77 -9.754 -8.206 -6.046 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.862 -7.801 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.816 -7.615 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.192 -6.967 -8.150 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.638 -10.148 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.795 -8.363 -9.376 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.791 -12.375 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.948 -10.589 -9.972 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.114 -12.773 -9.676 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.969 -5.408 -5.131 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.966 -3.987 -4.811 1.00 0.00 C ATOM 1163 C VAL A 78 -5.735 -3.294 -5.388 1.00 0.00 C ATOM 1164 O VAL A 78 -4.602 -3.681 -5.105 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.011 -3.755 -3.286 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.774 -4.338 -2.618 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.149 -2.272 -2.972 1.00 0.00 C ATOM 0 H VAL A 78 -6.194 -5.933 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.861 -3.559 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.886 -4.268 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.825 -4.164 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.728 -5.410 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.882 -3.858 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.179 -2.130 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.297 -1.732 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.070 -1.891 -3.414 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.968 -2.265 -6.196 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.880 -1.516 -6.813 1.00 0.00 C ATOM 1179 C ALA A 79 -4.892 -0.062 -6.353 1.00 0.00 C ATOM 1180 O ALA A 79 -5.793 0.701 -6.697 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.977 -1.593 -8.329 1.00 0.00 C ATOM 0 H ALA A 79 -6.901 -1.931 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.937 -1.964 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.158 -1.029 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.915 -2.634 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.928 -1.171 -8.655 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.886 0.313 -5.569 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.783 1.676 -5.059 1.00 0.00 C ATOM 1189 C LEU A 80 -2.419 2.277 -5.379 1.00 0.00 C ATOM 1190 O LEU A 80 -1.385 1.636 -5.184 1.00 0.00 O ATOM 1191 CB LEU A 80 -4.018 1.694 -3.548 1.00 0.00 C ATOM 1192 CG LEU A 80 -3.261 0.620 -2.761 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.706 1.193 -1.467 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.168 -0.568 -2.475 1.00 0.00 C ATOM 0 H LEU A 80 -3.132 -0.307 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.548 2.279 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.733 2.673 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.085 1.576 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.423 0.276 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.172 0.414 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.022 2.010 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.526 1.567 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.614 -1.322 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.026 -0.238 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.514 -0.996 -3.416 1.00 0.00 H new ATOM 1206 N THR A 81 -2.422 3.511 -5.870 1.00 0.00 N ATOM 1207 CA THR A 81 -1.185 4.201 -6.214 1.00 0.00 C ATOM 1208 C THR A 81 -0.513 4.764 -4.966 1.00 0.00 C ATOM 1209 O THR A 81 -1.066 5.634 -4.292 1.00 0.00 O ATOM 1210 CB THR A 81 -1.461 5.327 -7.211 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.143 4.833 -8.350 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.206 6.022 -7.692 1.00 0.00 C ATOM 0 H THR A 81 -3.268 4.054 -6.039 1.00 0.00 H new ATOM 0 HA THR A 81 -0.512 3.478 -6.674 1.00 0.00 H new ATOM 0 HB THR A 81 -2.071 6.049 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.732 3.991 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.473 6.810 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.317 6.458 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.444 5.299 -8.185 1.00 0.00 H new ATOM 1220 N VAL A 82 0.679 4.260 -4.665 1.00 0.00 N ATOM 1221 CA VAL A 82 1.425 4.711 -3.495 1.00 0.00 C ATOM 1222 C VAL A 82 2.699 5.444 -3.901 1.00 0.00 C ATOM 1223 O VAL A 82 3.030 5.530 -5.084 1.00 0.00 O ATOM 1224 CB VAL A 82 1.798 3.530 -2.579 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.547 2.885 -2.001 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.633 2.507 -3.337 1.00 0.00 C ATOM 0 H VAL A 82 1.149 3.540 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 82 0.774 5.395 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 82 2.397 3.912 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.831 2.053 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.007 3.622 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.081 2.517 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.887 1.681 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.063 2.129 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.548 2.978 -3.696 1.00 0.00 H new ATOM 1236 N GLN A 83 3.410 5.974 -2.910 1.00 0.00 N ATOM 1237 CA GLN A 83 4.649 6.701 -3.159 1.00 0.00 C ATOM 1238 C GLN A 83 5.752 6.234 -2.214 1.00 0.00 C ATOM 1239 O GLN A 83 5.547 6.147 -1.002 1.00 0.00 O ATOM 1240 CB GLN A 83 4.424 8.205 -2.998 1.00 0.00 C ATOM 1241 CG GLN A 83 5.492 9.056 -3.664 1.00 0.00 C ATOM 1242 CD GLN A 83 5.239 10.542 -3.502 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.486 11.114 -2.441 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.743 11.176 -4.560 1.00 0.00 N ATOM 0 H GLN A 83 3.148 5.913 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 83 4.962 6.497 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.452 8.465 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.389 8.447 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.465 8.809 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.536 8.812 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.553 10.662 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.552 12.177 -4.512 1.00 0.00 H new ATOM 1253 N GLY A 84 6.918 5.935 -2.775 1.00 0.00 N ATOM 1254 CA GLY A 84 8.036 5.480 -1.971 1.00 0.00 C ATOM 1255 C GLY A 84 9.029 4.659 -2.769 1.00 0.00 C ATOM 1256 O GLY A 84 8.715 4.186 -3.862 1.00 0.00 O ATOM 0 H GLY A 84 7.109 6.000 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.545 6.343 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.662 4.883 -1.139 1.00 0.00 H new