USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 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 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.00043) USER MOD Single : A 14 GLN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -0.182 (180deg=-0.9) USER MOD Single : A 18 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.29) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 34:sc= 0.0162 USER MOD Single : A 28 ASN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.062) 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= -0.13 X(o=-0.13,f=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.79 K(o=-1.8,f=-8.6!) USER MOD Single : A 58 THR OG1 : rot 42:sc= 1.3 USER MOD Single : A 65 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-7.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.0166 (180deg=-0.366) USER MOD Single : A 74 SER OG : rot 82:sc= 0.143 USER MOD Single : A 76 SER OG : rot 180:sc= 0.11 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.039 10.643 -6.929 1.00 0.00 N ATOM 83 CA VAL A 7 8.083 9.347 -7.594 1.00 0.00 C ATOM 84 C VAL A 7 7.069 8.383 -6.986 1.00 0.00 C ATOM 85 O VAL A 7 7.150 8.048 -5.803 1.00 0.00 O ATOM 86 CB VAL A 7 9.485 8.718 -7.513 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.484 9.530 -8.324 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.934 8.599 -6.064 1.00 0.00 C ATOM 0 HA VAL A 7 7.834 9.522 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 7 9.438 7.715 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.469 9.069 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.169 9.557 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.530 10.546 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.927 8.152 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.964 9.589 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.232 7.970 -5.516 1.00 0.00 H new ATOM 98 N GLN A 8 6.116 7.942 -7.801 1.00 0.00 N ATOM 99 CA GLN A 8 5.086 7.017 -7.343 1.00 0.00 C ATOM 100 C GLN A 8 5.137 5.711 -8.131 1.00 0.00 C ATOM 101 O GLN A 8 5.604 5.681 -9.270 1.00 0.00 O ATOM 102 CB GLN A 8 3.702 7.655 -7.478 1.00 0.00 C ATOM 103 CG GLN A 8 3.462 8.308 -8.829 1.00 0.00 C ATOM 104 CD GLN A 8 2.068 8.047 -9.363 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.873 7.198 -10.233 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.088 8.778 -8.843 1.00 0.00 N ATOM 0 H GLN A 8 6.036 8.210 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 8 5.274 6.793 -6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.942 6.892 -7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.578 8.403 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.618 9.383 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.196 7.936 -9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.295 9.471 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.129 8.646 -9.163 1.00 0.00 H new ATOM 115 N ARG A 9 4.653 4.636 -7.518 1.00 0.00 N ATOM 116 CA ARG A 9 4.644 3.328 -8.163 1.00 0.00 C ATOM 117 C ARG A 9 3.339 2.591 -7.879 1.00 0.00 C ATOM 118 O ARG A 9 2.865 2.563 -6.743 1.00 0.00 O ATOM 119 CB ARG A 9 5.831 2.491 -7.684 1.00 0.00 C ATOM 120 CG ARG A 9 5.855 2.273 -6.179 1.00 0.00 C ATOM 121 CD ARG A 9 7.164 1.647 -5.728 1.00 0.00 C ATOM 122 NE ARG A 9 8.307 2.521 -5.983 1.00 0.00 N ATOM 123 CZ ARG A 9 8.631 3.561 -5.217 1.00 0.00 C ATOM 124 NH1 ARG A 9 7.904 3.858 -4.148 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.686 4.305 -5.522 1.00 0.00 N ATOM 0 H ARG A 9 4.262 4.645 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 9 4.728 3.481 -9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.806 1.522 -8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.756 2.982 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.712 3.226 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.024 1.629 -5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.110 1.423 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.310 0.699 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 9 8.891 2.323 -6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.092 3.289 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.157 4.656 -3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.248 4.080 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.935 5.102 -4.936 1.00 0.00 H new ATOM 139 N CYS A 10 2.763 1.996 -8.919 1.00 0.00 N ATOM 140 CA CYS A 10 1.512 1.259 -8.781 1.00 0.00 C ATOM 141 C CYS A 10 1.774 -0.186 -8.364 1.00 0.00 C ATOM 142 O CYS A 10 2.660 -0.847 -8.905 1.00 0.00 O ATOM 143 CB CYS A 10 0.732 1.288 -10.095 1.00 0.00 C ATOM 144 SG CYS A 10 -1.061 1.407 -9.887 1.00 0.00 S ATOM 0 H CYS A 10 3.142 2.010 -9.866 1.00 0.00 H new ATOM 0 HA CYS A 10 0.920 1.741 -8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.075 2.134 -10.690 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.962 0.386 -10.662 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.633 1.427 -11.054 1.00 0.00 H new ATOM 150 N VAL A 11 0.997 -0.667 -7.399 1.00 0.00 N ATOM 151 CA VAL A 11 1.142 -2.032 -6.911 1.00 0.00 C ATOM 152 C VAL A 11 -0.212 -2.723 -6.799 1.00 0.00 C ATOM 153 O VAL A 11 -1.207 -2.104 -6.420 1.00 0.00 O ATOM 154 CB VAL A 11 1.835 -2.066 -5.535 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.323 -1.783 -5.680 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.185 -1.072 -4.585 1.00 0.00 C ATOM 0 H VAL A 11 0.261 -0.131 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 11 1.760 -2.562 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 11 1.718 -3.064 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.796 -1.811 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.776 -2.538 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.464 -0.797 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.688 -1.110 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.268 -0.067 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.133 -1.326 -4.457 1.00 0.00 H new ATOM 166 N ILE A 12 -0.246 -4.008 -7.133 1.00 0.00 N ATOM 167 CA ILE A 12 -1.478 -4.783 -7.070 1.00 0.00 C ATOM 168 C ILE A 12 -1.354 -5.932 -6.078 1.00 0.00 C ATOM 169 O ILE A 12 -0.576 -6.865 -6.286 1.00 0.00 O ATOM 170 CB ILE A 12 -1.856 -5.351 -8.451 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.776 -4.256 -9.517 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.250 -5.959 -8.411 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.781 -4.789 -10.932 1.00 0.00 C ATOM 0 H ILE A 12 0.567 -4.535 -7.451 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.262 -4.103 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.146 -6.136 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.618 -3.575 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.868 -3.673 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.502 -6.356 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.275 -6.765 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.973 -5.193 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.722 -3.957 -11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.924 -5.447 -11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.701 -5.347 -11.107 1.00 0.00 H new ATOM 185 N ILE A 13 -2.126 -5.863 -4.997 1.00 0.00 N ATOM 186 CA ILE A 13 -2.101 -6.898 -3.972 1.00 0.00 C ATOM 187 C ILE A 13 -3.336 -7.790 -4.063 1.00 0.00 C ATOM 188 O ILE A 13 -4.431 -7.323 -4.372 1.00 0.00 O ATOM 189 CB ILE A 13 -2.022 -6.289 -2.559 1.00 0.00 C ATOM 190 CG1 ILE A 13 -3.237 -5.400 -2.288 1.00 0.00 C ATOM 191 CG2 ILE A 13 -0.733 -5.496 -2.396 1.00 0.00 C ATOM 192 CD1 ILE A 13 -3.224 -4.756 -0.919 1.00 0.00 C ATOM 0 H ILE A 13 -2.776 -5.100 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.209 -7.498 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.023 -7.101 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.282 -4.619 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.143 -5.997 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.691 -5.072 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.122 -6.156 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.705 -4.692 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.116 -4.141 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.211 -5.531 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.336 -4.132 -0.819 1.00 0.00 H new ATOM 204 N GLN A 14 -3.149 -9.077 -3.790 1.00 0.00 N ATOM 205 CA GLN A 14 -4.245 -10.037 -3.840 1.00 0.00 C ATOM 206 C GLN A 14 -4.676 -10.445 -2.435 1.00 0.00 C ATOM 207 O GLN A 14 -3.848 -10.579 -1.536 1.00 0.00 O ATOM 208 CB GLN A 14 -3.831 -11.275 -4.639 1.00 0.00 C ATOM 209 CG GLN A 14 -3.641 -11.008 -6.123 1.00 0.00 C ATOM 210 CD GLN A 14 -2.686 -11.988 -6.774 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.841 -11.606 -7.583 1.00 0.00 O ATOM 212 NE2 GLN A 14 -2.817 -13.263 -6.425 1.00 0.00 N ATOM 0 H GLN A 14 -2.248 -9.479 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.090 -9.559 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.901 -11.668 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.588 -12.049 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.607 -11.061 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.265 -9.994 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.531 -13.536 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.203 -13.969 -6.832 1.00 0.00 H new ATOM 221 N LYS A 15 -5.979 -10.639 -2.255 1.00 0.00 N ATOM 222 CA LYS A 15 -6.519 -11.032 -0.960 1.00 0.00 C ATOM 223 C LYS A 15 -6.404 -12.539 -0.754 1.00 0.00 C ATOM 224 O LYS A 15 -6.652 -13.321 -1.672 1.00 0.00 O ATOM 225 CB LYS A 15 -7.982 -10.599 -0.842 1.00 0.00 C ATOM 226 CG LYS A 15 -8.358 -10.088 0.540 1.00 0.00 C ATOM 227 CD LYS A 15 -9.519 -10.873 1.133 1.00 0.00 C ATOM 228 CE LYS A 15 -10.785 -10.704 0.307 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.103 -11.930 -0.478 1.00 0.00 N ATOM 0 H LYS A 15 -6.679 -10.530 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.935 -10.534 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.181 -9.817 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.623 -11.443 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.495 -10.159 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.626 -9.033 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.256 -11.929 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.702 -10.539 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.620 -10.468 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.666 -9.859 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.135 -12.041 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.700 -11.845 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.696 -12.761 -0.003 1.00 0.00 H new ATOM 243 N ASP A 16 -6.025 -12.939 0.454 1.00 0.00 N ATOM 244 CA ASP A 16 -5.876 -14.353 0.781 1.00 0.00 C ATOM 245 C ASP A 16 -7.063 -14.851 1.598 1.00 0.00 C ATOM 246 O ASP A 16 -8.073 -14.160 1.728 1.00 0.00 O ATOM 247 CB ASP A 16 -4.576 -14.585 1.553 1.00 0.00 C ATOM 248 CG ASP A 16 -3.386 -13.911 0.901 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.186 -14.106 -0.317 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.653 -13.186 1.606 1.00 0.00 O ATOM 0 H ASP A 16 -5.815 -12.304 1.224 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.841 -14.914 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.689 -14.210 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.387 -15.656 1.627 1.00 0.00 H new ATOM 255 N ASP A 17 -6.936 -16.056 2.148 1.00 0.00 N ATOM 256 CA ASP A 17 -7.999 -16.646 2.953 1.00 0.00 C ATOM 257 C ASP A 17 -8.340 -15.755 4.144 1.00 0.00 C ATOM 258 O ASP A 17 -9.495 -15.675 4.560 1.00 0.00 O ATOM 259 CB ASP A 17 -7.586 -18.035 3.442 1.00 0.00 C ATOM 260 CG ASP A 17 -7.505 -19.046 2.315 1.00 0.00 C ATOM 261 OD1 ASP A 17 -8.570 -19.523 1.867 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.378 -19.361 1.880 1.00 0.00 O ATOM 0 H ASP A 17 -6.107 -16.642 2.050 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.886 -16.738 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.617 -17.969 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.302 -18.382 4.187 1.00 0.00 H new ATOM 267 N ASN A 18 -7.326 -15.089 4.686 1.00 0.00 N ATOM 268 CA ASN A 18 -7.518 -14.204 5.830 1.00 0.00 C ATOM 269 C ASN A 18 -7.716 -12.762 5.374 1.00 0.00 C ATOM 270 O ASN A 18 -8.483 -12.010 5.974 1.00 0.00 O ATOM 271 CB ASN A 18 -6.320 -14.291 6.777 1.00 0.00 C ATOM 272 CG ASN A 18 -6.535 -15.298 7.889 1.00 0.00 C ATOM 273 OD1 ASN A 18 -7.211 -16.310 7.706 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.958 -15.024 9.054 1.00 0.00 N ATOM 0 H ASN A 18 -6.364 -15.145 4.352 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.415 -14.526 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.431 -14.565 6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.131 -13.309 7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.067 -15.664 9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.406 -14.173 9.162 1.00 0.00 H new ATOM 281 N GLY A 19 -7.020 -12.384 4.307 1.00 0.00 N ATOM 282 CA GLY A 19 -7.132 -11.034 3.787 1.00 0.00 C ATOM 283 C GLY A 19 -5.804 -10.487 3.303 1.00 0.00 C ATOM 284 O GLY A 19 -5.281 -10.925 2.278 1.00 0.00 O ATOM 0 H GLY A 19 -6.380 -12.989 3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.847 -11.023 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.529 -10.381 4.564 1.00 0.00 H new ATOM 288 N PHE A 20 -5.256 -9.527 4.041 1.00 0.00 N ATOM 289 CA PHE A 20 -3.979 -8.919 3.682 1.00 0.00 C ATOM 290 C PHE A 20 -2.994 -8.999 4.842 1.00 0.00 C ATOM 291 O PHE A 20 -3.335 -8.685 5.983 1.00 0.00 O ATOM 292 CB PHE A 20 -4.184 -7.460 3.270 1.00 0.00 C ATOM 293 CG PHE A 20 -5.231 -7.278 2.206 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.114 -7.917 0.983 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.331 -6.468 2.434 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.075 -7.750 0.004 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.296 -6.298 1.458 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.168 -6.939 0.243 1.00 0.00 C ATOM 0 H PHE A 20 -5.676 -9.153 4.892 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.565 -9.472 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.465 -6.879 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.238 -7.056 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.262 -8.553 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.436 -5.964 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.972 -8.253 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.149 -5.664 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.921 -6.807 -0.520 1.00 0.00 H new ATOM 308 N GLY A 21 -1.770 -9.421 4.545 1.00 0.00 N ATOM 309 CA GLY A 21 -0.753 -9.535 5.574 1.00 0.00 C ATOM 310 C GLY A 21 -0.201 -8.188 5.997 1.00 0.00 C ATOM 311 O GLY A 21 0.042 -7.953 7.180 1.00 0.00 O ATOM 0 H GLY A 21 -1.464 -9.686 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.175 -10.040 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.062 -10.159 5.207 1.00 0.00 H new ATOM 315 N LEU A 22 -0.003 -7.301 5.026 1.00 0.00 N ATOM 316 CA LEU A 22 0.524 -5.970 5.303 1.00 0.00 C ATOM 317 C LEU A 22 -0.410 -5.192 6.223 1.00 0.00 C ATOM 318 O LEU A 22 -1.631 -5.254 6.080 1.00 0.00 O ATOM 319 CB LEU A 22 0.729 -5.200 3.997 1.00 0.00 C ATOM 320 CG LEU A 22 -0.511 -5.097 3.107 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.279 -3.820 3.408 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.117 -5.153 1.638 1.00 0.00 C ATOM 0 H LEU A 22 -0.200 -7.480 4.041 1.00 0.00 H new ATOM 0 HA LEU A 22 1.484 -6.085 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.071 -4.193 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.526 -5.681 3.430 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.161 -5.945 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.158 -3.764 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.592 -3.821 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.638 -2.958 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.011 -5.078 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.553 -4.324 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.389 -6.096 1.433 1.00 0.00 H new ATOM 334 N THR A 23 0.171 -4.460 7.167 1.00 0.00 N ATOM 335 CA THR A 23 -0.610 -3.670 8.113 1.00 0.00 C ATOM 336 C THR A 23 -0.580 -2.191 7.739 1.00 0.00 C ATOM 337 O THR A 23 0.485 -1.625 7.493 1.00 0.00 O ATOM 338 CB THR A 23 -0.075 -3.860 9.533 1.00 0.00 C ATOM 339 OG1 THR A 23 0.313 -5.206 9.745 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.079 -3.498 10.606 1.00 0.00 C ATOM 0 H THR A 23 1.181 -4.397 7.298 1.00 0.00 H new ATOM 0 HA THR A 23 -1.643 -4.017 8.073 1.00 0.00 H new ATOM 0 HB THR A 23 0.777 -3.184 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.654 -5.308 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.634 -3.656 11.589 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.363 -2.451 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.964 -4.126 10.503 1.00 0.00 H new ATOM 348 N VAL A 24 -1.754 -1.572 7.696 1.00 0.00 N ATOM 349 CA VAL A 24 -1.861 -0.159 7.352 1.00 0.00 C ATOM 350 C VAL A 24 -2.472 0.645 8.493 1.00 0.00 C ATOM 351 O VAL A 24 -3.403 0.190 9.157 1.00 0.00 O ATOM 352 CB VAL A 24 -2.710 0.048 6.081 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.080 -0.665 4.895 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.138 -0.432 6.304 1.00 0.00 C ATOM 0 H VAL A 24 -2.645 -2.026 7.895 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.847 0.196 7.166 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.741 1.115 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.693 -0.507 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.080 -0.267 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.014 -1.732 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.720 -0.277 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.130 -1.493 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.587 0.130 7.123 1.00 0.00 H new ATOM 364 N SER A 25 -1.948 1.845 8.714 1.00 0.00 N ATOM 365 CA SER A 25 -2.448 2.715 9.771 1.00 0.00 C ATOM 366 C SER A 25 -2.275 4.183 9.392 1.00 0.00 C ATOM 367 O SER A 25 -1.202 4.598 8.956 1.00 0.00 O ATOM 368 CB SER A 25 -1.721 2.426 11.087 1.00 0.00 C ATOM 369 OG SER A 25 -2.469 1.539 11.899 1.00 0.00 O ATOM 0 H SER A 25 -1.176 2.238 8.175 1.00 0.00 H new ATOM 0 HA SER A 25 -3.511 2.514 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.742 1.995 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.550 3.359 11.624 1.00 0.00 H new ATOM 0 HG SER A 25 -2.950 0.902 11.331 1.00 0.00 H new ATOM 375 N GLY A 26 -3.338 4.963 9.561 1.00 0.00 N ATOM 376 CA GLY A 26 -3.276 6.375 9.231 1.00 0.00 C ATOM 377 C GLY A 26 -4.583 7.094 9.498 1.00 0.00 C ATOM 378 O GLY A 26 -5.584 6.846 8.823 1.00 0.00 O ATOM 0 H GLY A 26 -4.238 4.644 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.482 6.845 9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.012 6.487 8.179 1.00 0.00 H new ATOM 382 N ASP A 27 -4.574 7.989 10.481 1.00 0.00 N ATOM 383 CA ASP A 27 -5.768 8.750 10.830 1.00 0.00 C ATOM 384 C ASP A 27 -6.254 9.569 9.641 1.00 0.00 C ATOM 385 O ASP A 27 -7.252 9.230 9.006 1.00 0.00 O ATOM 386 CB ASP A 27 -5.482 9.669 12.019 1.00 0.00 C ATOM 387 CG ASP A 27 -5.610 8.953 13.349 1.00 0.00 C ATOM 388 OD1 ASP A 27 -6.717 8.463 13.655 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.601 8.883 14.085 1.00 0.00 O ATOM 0 H ASP A 27 -3.755 8.205 11.049 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.552 8.046 11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.476 10.077 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.172 10.513 11.996 1.00 0.00 H new ATOM 394 N ASN A 28 -5.541 10.651 9.341 1.00 0.00 N ATOM 395 CA ASN A 28 -5.898 11.517 8.225 1.00 0.00 C ATOM 396 C ASN A 28 -5.412 10.924 6.903 1.00 0.00 C ATOM 397 O ASN A 28 -6.214 10.630 6.016 1.00 0.00 O ATOM 398 CB ASN A 28 -5.307 12.916 8.425 1.00 0.00 C ATOM 399 CG ASN A 28 -6.368 13.952 8.738 1.00 0.00 C ATOM 400 OD1 ASN A 28 -6.337 14.591 9.789 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.315 14.126 7.823 1.00 0.00 N ATOM 0 H ASN A 28 -4.712 10.948 9.856 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.985 11.596 8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.580 12.888 9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.768 13.212 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.055 14.811 7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.303 13.575 6.965 1.00 0.00 H new ATOM 408 N PRO A 29 -4.088 10.737 6.754 1.00 0.00 N ATOM 409 CA PRO A 29 -3.504 10.174 5.534 1.00 0.00 C ATOM 410 C PRO A 29 -3.660 8.658 5.463 1.00 0.00 C ATOM 411 O PRO A 29 -4.382 8.061 6.262 1.00 0.00 O ATOM 412 CB PRO A 29 -2.030 10.554 5.653 1.00 0.00 C ATOM 413 CG PRO A 29 -1.774 10.592 7.120 1.00 0.00 C ATOM 414 CD PRO A 29 -3.056 11.058 7.760 1.00 0.00 C ATOM 0 HA PRO A 29 -3.988 10.550 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.390 9.824 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.830 11.520 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.490 9.607 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.953 11.270 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.243 10.544 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.029 12.125 7.979 1.00 0.00 H new ATOM 422 N VAL A 30 -2.975 8.043 4.506 1.00 0.00 N ATOM 423 CA VAL A 30 -3.035 6.595 4.333 1.00 0.00 C ATOM 424 C VAL A 30 -1.682 6.039 3.899 1.00 0.00 C ATOM 425 O VAL A 30 -1.289 6.172 2.740 1.00 0.00 O ATOM 426 CB VAL A 30 -4.099 6.195 3.295 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.282 4.685 3.272 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.418 6.895 3.585 1.00 0.00 C ATOM 0 H VAL A 30 -2.372 8.523 3.838 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.307 6.172 5.300 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.756 6.511 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.038 4.421 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.337 4.208 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.602 4.342 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.158 6.600 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.769 6.613 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.274 7.975 3.545 1.00 0.00 H new ATOM 438 N PHE A 31 -0.976 5.418 4.836 1.00 0.00 N ATOM 439 CA PHE A 31 0.335 4.844 4.550 1.00 0.00 C ATOM 440 C PHE A 31 0.491 3.483 5.220 1.00 0.00 C ATOM 441 O PHE A 31 -0.072 3.236 6.287 1.00 0.00 O ATOM 442 CB PHE A 31 1.442 5.787 5.024 1.00 0.00 C ATOM 443 CG PHE A 31 1.369 6.108 6.489 1.00 0.00 C ATOM 444 CD1 PHE A 31 1.856 5.218 7.433 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.812 7.301 6.923 1.00 0.00 C ATOM 446 CE1 PHE A 31 1.791 5.511 8.782 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.743 7.600 8.270 1.00 0.00 C ATOM 448 CZ PHE A 31 1.234 6.704 9.201 1.00 0.00 C ATOM 0 H PHE A 31 -1.288 5.299 5.800 1.00 0.00 H new ATOM 0 HA PHE A 31 0.417 4.710 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.410 5.336 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.387 6.714 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.292 4.284 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.428 8.005 6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.175 4.809 9.507 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.306 8.533 8.595 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.182 6.936 10.254 1.00 0.00 H new ATOM 458 N VAL A 32 1.259 2.603 4.586 1.00 0.00 N ATOM 459 CA VAL A 32 1.493 1.267 5.120 1.00 0.00 C ATOM 460 C VAL A 32 2.638 1.275 6.126 1.00 0.00 C ATOM 461 O VAL A 32 3.699 1.845 5.868 1.00 0.00 O ATOM 462 CB VAL A 32 1.814 0.259 3.999 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.890 -1.153 4.553 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.780 0.349 2.885 1.00 0.00 C ATOM 0 H VAL A 32 1.730 2.792 3.701 1.00 0.00 H new ATOM 0 HA VAL A 32 0.574 0.959 5.619 1.00 0.00 H new ATOM 0 HB VAL A 32 2.788 0.511 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.117 -1.849 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.674 -1.206 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.934 -1.419 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.024 -0.370 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.208 0.127 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.783 1.355 2.466 1.00 0.00 H new ATOM 474 N GLN A 33 2.419 0.642 7.273 1.00 0.00 N ATOM 475 CA GLN A 33 3.433 0.577 8.319 1.00 0.00 C ATOM 476 C GLN A 33 4.264 -0.696 8.198 1.00 0.00 C ATOM 477 O GLN A 33 5.462 -0.696 8.483 1.00 0.00 O ATOM 478 CB GLN A 33 2.778 0.643 9.700 1.00 0.00 C ATOM 479 CG GLN A 33 1.695 -0.404 9.909 1.00 0.00 C ATOM 480 CD GLN A 33 1.486 -0.742 11.372 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.707 -1.876 11.797 1.00 0.00 O ATOM 482 NE2 GLN A 33 1.056 0.243 12.152 1.00 0.00 N ATOM 0 H GLN A 33 1.547 0.166 7.502 1.00 0.00 H new ATOM 0 HA GLN A 33 4.096 1.433 8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.546 0.518 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.346 1.634 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.758 -0.042 9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.961 -1.310 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.886 1.168 11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.896 0.074 13.145 1.00 0.00 H new ATOM 491 N SER A 34 3.623 -1.780 7.775 1.00 0.00 N ATOM 492 CA SER A 34 4.305 -3.060 7.618 1.00 0.00 C ATOM 493 C SER A 34 3.765 -3.821 6.411 1.00 0.00 C ATOM 494 O SER A 34 2.609 -3.651 6.023 1.00 0.00 O ATOM 495 CB SER A 34 4.148 -3.905 8.885 1.00 0.00 C ATOM 496 OG SER A 34 5.407 -4.323 9.378 1.00 0.00 O ATOM 0 H SER A 34 2.632 -1.798 7.535 1.00 0.00 H new ATOM 0 HA SER A 34 5.364 -2.861 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.628 -3.327 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.530 -4.777 8.670 1.00 0.00 H new ATOM 0 HG SER A 34 5.279 -4.859 10.188 1.00 0.00 H new ATOM 502 N VAL A 35 4.609 -4.662 5.821 1.00 0.00 N ATOM 503 CA VAL A 35 4.216 -5.449 4.660 1.00 0.00 C ATOM 504 C VAL A 35 4.693 -6.893 4.786 1.00 0.00 C ATOM 505 O VAL A 35 5.836 -7.148 5.165 1.00 0.00 O ATOM 506 CB VAL A 35 4.777 -4.846 3.355 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.280 -3.421 3.169 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.298 -4.891 3.351 1.00 0.00 C ATOM 0 H VAL A 35 5.569 -4.815 6.129 1.00 0.00 H new ATOM 0 HA VAL A 35 3.127 -5.431 4.621 1.00 0.00 H new ATOM 0 HB VAL A 35 4.418 -5.446 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.686 -3.012 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.191 -3.419 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.606 -2.809 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.672 -4.461 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.681 -4.319 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.632 -5.926 3.432 1.00 0.00 H new ATOM 518 N LYS A 36 3.811 -7.836 4.463 1.00 0.00 N ATOM 519 CA LYS A 36 4.148 -9.252 4.541 1.00 0.00 C ATOM 520 C LYS A 36 5.327 -9.575 3.630 1.00 0.00 C ATOM 521 O LYS A 36 5.221 -9.482 2.407 1.00 0.00 O ATOM 522 CB LYS A 36 2.942 -10.110 4.154 1.00 0.00 C ATOM 523 CG LYS A 36 3.091 -11.574 4.530 1.00 0.00 C ATOM 524 CD LYS A 36 2.876 -11.792 6.019 1.00 0.00 C ATOM 525 CE LYS A 36 2.368 -13.195 6.308 1.00 0.00 C ATOM 526 NZ LYS A 36 3.471 -14.113 6.707 1.00 0.00 N ATOM 0 H LYS A 36 2.861 -7.644 4.146 1.00 0.00 H new ATOM 0 HA LYS A 36 4.428 -9.478 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.051 -9.708 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.783 -10.034 3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.373 -12.170 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.085 -11.923 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.813 -11.626 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.161 -11.060 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.623 -13.155 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.869 -13.590 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.084 -15.060 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.169 -14.171 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.931 -13.750 7.566 1.00 0.00 H new ATOM 540 N GLU A 37 6.450 -9.953 4.232 1.00 0.00 N ATOM 541 CA GLU A 37 7.649 -10.289 3.474 1.00 0.00 C ATOM 542 C GLU A 37 7.707 -11.784 3.176 1.00 0.00 C ATOM 543 O GLU A 37 8.754 -12.417 3.312 1.00 0.00 O ATOM 544 CB GLU A 37 8.900 -9.859 4.244 1.00 0.00 C ATOM 545 CG GLU A 37 9.212 -8.377 4.119 1.00 0.00 C ATOM 546 CD GLU A 37 10.481 -7.983 4.850 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.756 -8.570 5.919 1.00 0.00 O ATOM 548 OE2 GLU A 37 11.198 -7.090 4.356 1.00 0.00 O ATOM 0 H GLU A 37 6.554 -10.034 5.243 1.00 0.00 H new ATOM 0 HA GLU A 37 7.611 -9.752 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.771 -10.107 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.754 -10.433 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.309 -8.118 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.376 -7.799 4.513 1.00 0.00 H new ATOM 555 N ASP A 38 6.574 -12.339 2.766 1.00 0.00 N ATOM 556 CA ASP A 38 6.486 -13.759 2.445 1.00 0.00 C ATOM 557 C ASP A 38 5.093 -14.109 1.936 1.00 0.00 C ATOM 558 O ASP A 38 4.574 -15.190 2.210 1.00 0.00 O ATOM 559 CB ASP A 38 6.821 -14.605 3.674 1.00 0.00 C ATOM 560 CG ASP A 38 7.248 -16.013 3.307 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.160 -16.159 2.467 1.00 0.00 O ATOM 562 OD2 ASP A 38 6.669 -16.972 3.861 1.00 0.00 O ATOM 0 H ASP A 38 5.700 -11.826 2.647 1.00 0.00 H new ATOM 0 HA ASP A 38 7.209 -13.976 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.619 -14.122 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.951 -14.651 4.328 1.00 0.00 H new ATOM 567 N GLY A 39 4.492 -13.184 1.195 1.00 0.00 N ATOM 568 CA GLY A 39 3.162 -13.411 0.661 1.00 0.00 C ATOM 569 C GLY A 39 2.799 -12.427 -0.433 1.00 0.00 C ATOM 570 O GLY A 39 3.666 -11.964 -1.175 1.00 0.00 O ATOM 0 H GLY A 39 4.902 -12.281 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.101 -14.426 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.433 -13.337 1.468 1.00 0.00 H new ATOM 574 N ALA A 40 1.514 -12.106 -0.534 1.00 0.00 N ATOM 575 CA ALA A 40 1.035 -11.173 -1.545 1.00 0.00 C ATOM 576 C ALA A 40 1.671 -9.797 -1.373 1.00 0.00 C ATOM 577 O ALA A 40 1.963 -9.112 -2.353 1.00 0.00 O ATOM 578 CB ALA A 40 -0.481 -11.066 -1.487 1.00 0.00 C ATOM 0 H ALA A 40 0.785 -12.479 0.074 1.00 0.00 H new ATOM 0 HA ALA A 40 1.326 -11.557 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.826 -10.366 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.922 -12.046 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.783 -10.710 -0.502 1.00 0.00 H new ATOM 584 N ALA A 41 1.878 -9.396 -0.122 1.00 0.00 N ATOM 585 CA ALA A 41 2.476 -8.099 0.172 1.00 0.00 C ATOM 586 C ALA A 41 3.867 -7.981 -0.440 1.00 0.00 C ATOM 587 O ALA A 41 4.190 -6.978 -1.079 1.00 0.00 O ATOM 588 CB ALA A 41 2.536 -7.878 1.677 1.00 0.00 C ATOM 0 H ALA A 41 1.641 -9.949 0.702 1.00 0.00 H new ATOM 0 HA ALA A 41 1.849 -7.327 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.984 -6.906 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.528 -7.908 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.139 -8.661 2.136 1.00 0.00 H new ATOM 594 N MET A 42 4.688 -9.007 -0.244 1.00 0.00 N ATOM 595 CA MET A 42 6.042 -9.015 -0.779 1.00 0.00 C ATOM 596 C MET A 42 6.026 -9.148 -2.298 1.00 0.00 C ATOM 597 O MET A 42 6.665 -8.369 -3.007 1.00 0.00 O ATOM 598 CB MET A 42 6.840 -10.163 -0.164 1.00 0.00 C ATOM 599 CG MET A 42 8.342 -10.008 -0.318 1.00 0.00 C ATOM 600 SD MET A 42 8.969 -8.498 0.444 1.00 0.00 S ATOM 601 CE MET A 42 10.617 -8.426 -0.255 1.00 0.00 C ATOM 0 H MET A 42 4.438 -9.844 0.282 1.00 0.00 H new ATOM 0 HA MET A 42 6.517 -8.068 -0.522 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.597 -10.236 0.896 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.530 -11.100 -0.628 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.839 -10.869 0.129 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.596 -10.008 -1.378 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.134 -7.543 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.172 -9.320 0.029 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.549 -8.370 -1.341 1.00 0.00 H new ATOM 611 N ARG A 43 5.292 -10.141 -2.790 1.00 0.00 N ATOM 612 CA ARG A 43 5.192 -10.378 -4.227 1.00 0.00 C ATOM 613 C ARG A 43 4.577 -9.178 -4.937 1.00 0.00 C ATOM 614 O ARG A 43 4.886 -8.905 -6.097 1.00 0.00 O ATOM 615 CB ARG A 43 4.359 -11.632 -4.500 1.00 0.00 C ATOM 616 CG ARG A 43 4.830 -12.425 -5.708 1.00 0.00 C ATOM 617 CD ARG A 43 3.750 -13.369 -6.215 1.00 0.00 C ATOM 618 NE ARG A 43 3.565 -13.260 -7.660 1.00 0.00 N ATOM 619 CZ ARG A 43 2.884 -12.279 -8.248 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.325 -11.320 -7.520 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.763 -12.256 -9.568 1.00 0.00 N ATOM 0 H ARG A 43 4.758 -10.794 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 43 6.199 -10.527 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.387 -12.275 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.319 -11.342 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.117 -11.739 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.719 -12.997 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.015 -14.395 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.809 -13.148 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 43 3.982 -13.978 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.416 -11.332 -6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.804 -10.571 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.192 -12.990 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.241 -11.505 -10.019 1.00 0.00 H new ATOM 635 N ALA A 44 3.705 -8.462 -4.235 1.00 0.00 N ATOM 636 CA ALA A 44 3.046 -7.290 -4.801 1.00 0.00 C ATOM 637 C ALA A 44 4.021 -6.125 -4.959 1.00 0.00 C ATOM 638 O ALA A 44 3.739 -5.162 -5.673 1.00 0.00 O ATOM 639 CB ALA A 44 1.868 -6.877 -3.933 1.00 0.00 C ATOM 0 H ALA A 44 3.438 -8.673 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 44 2.681 -7.558 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.386 -6.001 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.151 -7.696 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.221 -6.637 -2.930 1.00 0.00 H new ATOM 645 N GLY A 45 5.168 -6.215 -4.291 1.00 0.00 N ATOM 646 CA GLY A 45 6.161 -5.159 -4.377 1.00 0.00 C ATOM 647 C GLY A 45 5.885 -4.025 -3.410 1.00 0.00 C ATOM 648 O GLY A 45 6.246 -2.877 -3.669 1.00 0.00 O ATOM 0 H GLY A 45 5.427 -6.999 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.148 -5.575 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.184 -4.768 -5.394 1.00 0.00 H new ATOM 652 N VAL A 46 5.245 -4.347 -2.291 1.00 0.00 N ATOM 653 CA VAL A 46 4.921 -3.348 -1.280 1.00 0.00 C ATOM 654 C VAL A 46 6.097 -3.127 -0.334 1.00 0.00 C ATOM 655 O VAL A 46 6.903 -4.030 -0.110 1.00 0.00 O ATOM 656 CB VAL A 46 3.684 -3.757 -0.457 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.177 -2.582 0.365 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.589 -4.293 -1.366 1.00 0.00 C ATOM 0 H VAL A 46 4.940 -5.293 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 46 4.702 -2.421 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 46 3.975 -4.552 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.303 -2.890 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.960 -2.250 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.904 -1.763 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.724 -4.576 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.299 -3.522 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.958 -5.166 -1.905 1.00 0.00 H new ATOM 668 N GLN A 47 6.192 -1.920 0.216 1.00 0.00 N ATOM 669 CA GLN A 47 7.274 -1.586 1.136 1.00 0.00 C ATOM 670 C GLN A 47 6.729 -1.002 2.434 1.00 0.00 C ATOM 671 O GLN A 47 5.725 -0.290 2.435 1.00 0.00 O ATOM 672 CB GLN A 47 8.239 -0.593 0.484 1.00 0.00 C ATOM 673 CG GLN A 47 7.544 0.518 -0.284 1.00 0.00 C ATOM 674 CD GLN A 47 8.481 1.248 -1.228 1.00 0.00 C ATOM 675 OE1 GLN A 47 9.227 2.138 -0.818 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.448 0.873 -2.500 1.00 0.00 N ATOM 0 H GLN A 47 5.535 -1.159 0.041 1.00 0.00 H new ATOM 0 HA GLN A 47 7.811 -2.505 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.868 -0.150 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.900 -1.133 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.715 0.098 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.117 1.231 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.814 0.131 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.056 1.327 -3.181 1.00 0.00 H new ATOM 685 N THR A 48 7.401 -1.309 3.539 1.00 0.00 N ATOM 686 CA THR A 48 6.986 -0.815 4.846 1.00 0.00 C ATOM 687 C THR A 48 7.208 0.689 4.953 1.00 0.00 C ATOM 688 O THR A 48 8.281 1.195 4.625 1.00 0.00 O ATOM 689 CB THR A 48 7.747 -1.535 5.959 1.00 0.00 C ATOM 690 OG1 THR A 48 7.590 -0.856 7.193 1.00 0.00 O ATOM 691 CG2 THR A 48 9.231 -1.660 5.690 1.00 0.00 C ATOM 0 H THR A 48 8.234 -1.897 3.555 1.00 0.00 H new ATOM 0 HA THR A 48 5.921 -1.018 4.959 1.00 0.00 H new ATOM 0 HB THR A 48 7.318 -2.536 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.733 -1.105 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.709 -2.181 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.388 -2.223 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.667 -0.666 5.586 1.00 0.00 H new ATOM 699 N GLY A 49 6.184 1.396 5.414 1.00 0.00 N ATOM 700 CA GLY A 49 6.280 2.836 5.560 1.00 0.00 C ATOM 701 C GLY A 49 6.035 3.570 4.256 1.00 0.00 C ATOM 702 O GLY A 49 6.581 4.649 4.030 1.00 0.00 O ATOM 0 H GLY A 49 5.287 0.997 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.557 3.171 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.269 3.094 5.938 1.00 0.00 H new ATOM 706 N ASP A 50 5.209 2.981 3.395 1.00 0.00 N ATOM 707 CA ASP A 50 4.892 3.586 2.106 1.00 0.00 C ATOM 708 C ASP A 50 3.617 4.419 2.195 1.00 0.00 C ATOM 709 O ASP A 50 2.720 4.117 2.982 1.00 0.00 O ATOM 710 CB ASP A 50 4.735 2.505 1.035 1.00 0.00 C ATOM 711 CG ASP A 50 5.309 2.926 -0.305 1.00 0.00 C ATOM 712 OD1 ASP A 50 6.027 3.947 -0.351 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.039 2.234 -1.308 1.00 0.00 O ATOM 0 H ASP A 50 4.748 2.087 3.567 1.00 0.00 H new ATOM 0 HA ASP A 50 5.716 4.244 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.231 1.593 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.678 2.268 0.915 1.00 0.00 H new ATOM 718 N ARG A 51 3.543 5.470 1.385 1.00 0.00 N ATOM 719 CA ARG A 51 2.376 6.346 1.375 1.00 0.00 C ATOM 720 C ARG A 51 1.410 5.952 0.262 1.00 0.00 C ATOM 721 O ARG A 51 1.828 5.567 -0.830 1.00 0.00 O ATOM 722 CB ARG A 51 2.809 7.805 1.202 1.00 0.00 C ATOM 723 CG ARG A 51 2.708 8.623 2.479 1.00 0.00 C ATOM 724 CD ARG A 51 3.692 9.782 2.476 1.00 0.00 C ATOM 725 NE ARG A 51 3.556 10.613 1.282 1.00 0.00 N ATOM 726 CZ ARG A 51 4.473 11.490 0.881 1.00 0.00 C ATOM 727 NH1 ARG A 51 5.593 11.654 1.574 1.00 0.00 N ATOM 728 NH2 ARG A 51 4.268 12.208 -0.216 1.00 0.00 N ATOM 0 H ARG A 51 4.276 5.736 0.728 1.00 0.00 H new ATOM 0 HA ARG A 51 1.862 6.239 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.838 7.830 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.193 8.270 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.693 9.006 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.901 7.982 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.533 10.394 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.709 9.394 2.534 1.00 0.00 H new ATOM 0 HE ARG A 51 2.708 10.515 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.755 11.106 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.292 12.328 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.408 12.087 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.970 12.880 -0.524 1.00 0.00 H new ATOM 742 N ILE A 52 0.115 6.052 0.546 1.00 0.00 N ATOM 743 CA ILE A 52 -0.909 5.706 -0.432 1.00 0.00 C ATOM 744 C ILE A 52 -1.587 6.957 -0.983 1.00 0.00 C ATOM 745 O ILE A 52 -2.098 7.782 -0.227 1.00 0.00 O ATOM 746 CB ILE A 52 -1.981 4.781 0.176 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.320 3.608 0.902 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.923 4.279 -0.909 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.309 2.671 1.561 1.00 0.00 C ATOM 0 H ILE A 52 -0.249 6.369 1.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.405 5.180 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.564 5.349 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.716 3.044 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.640 3.997 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.675 3.627 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.414 5.127 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.355 3.723 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.770 1.863 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.896 3.221 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.974 2.253 0.805 1.00 0.00 H new ATOM 761 N ILE A 53 -1.589 7.087 -2.305 1.00 0.00 N ATOM 762 CA ILE A 53 -2.205 8.236 -2.958 1.00 0.00 C ATOM 763 C ILE A 53 -3.657 7.944 -3.324 1.00 0.00 C ATOM 764 O ILE A 53 -4.551 8.738 -3.034 1.00 0.00 O ATOM 765 CB ILE A 53 -1.437 8.637 -4.233 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.060 8.764 -3.942 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.985 9.941 -4.795 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.938 8.166 -5.020 1.00 0.00 C ATOM 0 H ILE A 53 -1.171 6.411 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.169 9.062 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.575 7.855 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.311 9.818 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.280 8.275 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.432 10.210 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.040 9.817 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.876 10.731 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.986 8.292 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.715 7.104 -5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.746 8.671 -5.967 1.00 0.00 H new ATOM 780 N LYS A 54 -3.882 6.801 -3.965 1.00 0.00 N ATOM 781 CA LYS A 54 -5.226 6.406 -4.371 1.00 0.00 C ATOM 782 C LYS A 54 -5.360 4.887 -4.412 1.00 0.00 C ATOM 783 O LYS A 54 -4.370 4.170 -4.543 1.00 0.00 O ATOM 784 CB LYS A 54 -5.560 6.996 -5.743 1.00 0.00 C ATOM 785 CG LYS A 54 -4.448 6.828 -6.764 1.00 0.00 C ATOM 786 CD LYS A 54 -4.854 7.372 -8.124 1.00 0.00 C ATOM 787 CE LYS A 54 -4.300 8.770 -8.351 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.713 9.322 -9.672 1.00 0.00 N ATOM 0 H LYS A 54 -3.152 6.133 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.929 6.794 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.465 6.522 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.780 8.057 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.553 7.344 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.192 5.772 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.493 6.705 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.941 7.393 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.646 9.431 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.212 8.744 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.316 10.276 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.361 8.705 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.751 9.371 -9.719 1.00 0.00 H new ATOM 802 N VAL A 55 -6.593 4.404 -4.299 1.00 0.00 N ATOM 803 CA VAL A 55 -6.858 2.971 -4.324 1.00 0.00 C ATOM 804 C VAL A 55 -7.940 2.631 -5.343 1.00 0.00 C ATOM 805 O VAL A 55 -9.097 3.023 -5.191 1.00 0.00 O ATOM 806 CB VAL A 55 -7.293 2.454 -2.939 1.00 0.00 C ATOM 807 CG1 VAL A 55 -7.417 0.938 -2.948 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.314 2.908 -1.866 1.00 0.00 C ATOM 0 H VAL A 55 -7.424 4.985 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.926 2.482 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.272 2.875 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.725 0.592 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.161 0.638 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.454 0.496 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.638 2.533 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.321 2.519 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.280 3.997 -1.841 1.00 0.00 H new ATOM 818 N ASN A 56 -7.556 1.897 -6.384 1.00 0.00 N ATOM 819 CA ASN A 56 -8.493 1.501 -7.430 1.00 0.00 C ATOM 820 C ASN A 56 -9.122 2.726 -8.089 1.00 0.00 C ATOM 821 O ASN A 56 -10.344 2.839 -8.178 1.00 0.00 O ATOM 822 CB ASN A 56 -9.586 0.599 -6.849 1.00 0.00 C ATOM 823 CG ASN A 56 -9.035 -0.715 -6.331 1.00 0.00 C ATOM 824 OD1 ASN A 56 -7.843 -0.995 -6.458 1.00 0.00 O ATOM 825 ND2 ASN A 56 -9.903 -1.528 -5.743 1.00 0.00 N ATOM 0 H ASN A 56 -6.602 1.565 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.941 0.947 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.093 1.122 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.334 0.399 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.591 -2.426 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.882 -1.255 -5.660 1.00 0.00 H new ATOM 832 N GLY A 57 -8.276 3.641 -8.551 1.00 0.00 N ATOM 833 CA GLY A 57 -8.766 4.846 -9.197 1.00 0.00 C ATOM 834 C GLY A 57 -9.682 5.654 -8.299 1.00 0.00 C ATOM 835 O GLY A 57 -10.557 6.375 -8.781 1.00 0.00 O ATOM 0 H GLY A 57 -7.260 3.570 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.919 5.463 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.301 4.575 -10.107 1.00 0.00 H new ATOM 839 N THR A 58 -9.483 5.534 -6.991 1.00 0.00 N ATOM 840 CA THR A 58 -10.297 6.260 -6.024 1.00 0.00 C ATOM 841 C THR A 58 -9.544 6.450 -4.711 1.00 0.00 C ATOM 842 O THR A 58 -9.014 5.495 -4.144 1.00 0.00 O ATOM 843 CB THR A 58 -11.609 5.514 -5.768 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.414 4.115 -5.855 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.707 5.887 -6.739 1.00 0.00 C ATOM 0 H THR A 58 -8.765 4.940 -6.576 1.00 0.00 H new ATOM 0 HA THR A 58 -10.520 7.243 -6.440 1.00 0.00 H new ATOM 0 HB THR A 58 -11.919 5.807 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.574 3.874 -5.412 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.609 5.323 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.915 6.954 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.389 5.653 -7.755 1.00 0.00 H new ATOM 945 N HIS A 65 -10.341 4.566 9.317 1.00 0.00 N ATOM 946 CA HIS A 65 -9.633 3.377 8.856 1.00 0.00 C ATOM 947 C HIS A 65 -10.610 2.324 8.344 1.00 0.00 C ATOM 948 O HIS A 65 -10.322 1.615 7.379 1.00 0.00 O ATOM 949 CB HIS A 65 -8.778 2.792 9.981 1.00 0.00 C ATOM 950 CG HIS A 65 -7.495 2.192 9.502 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.314 0.836 9.330 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.323 2.773 9.146 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.089 0.609 8.893 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.468 1.768 8.771 1.00 0.00 N ATOM 0 HA HIS A 65 -8.982 3.673 8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.556 3.577 10.704 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.354 2.029 10.506 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.017 0.120 9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.103 3.830 9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.666 -0.360 8.673 1.00 0.00 H new ATOM 963 N LEU A 66 -11.768 2.227 8.994 1.00 0.00 N ATOM 964 CA LEU A 66 -12.784 1.259 8.599 1.00 0.00 C ATOM 965 C LEU A 66 -13.140 1.428 7.126 1.00 0.00 C ATOM 966 O LEU A 66 -13.291 0.448 6.397 1.00 0.00 O ATOM 967 CB LEU A 66 -14.037 1.417 9.464 1.00 0.00 C ATOM 968 CG LEU A 66 -14.155 0.420 10.618 1.00 0.00 C ATOM 969 CD1 LEU A 66 -13.527 0.987 11.881 1.00 0.00 C ATOM 970 CD2 LEU A 66 -15.612 0.056 10.862 1.00 0.00 C ATOM 0 H LEU A 66 -12.024 2.806 9.794 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.379 0.258 8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.053 2.427 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.915 1.318 8.826 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.615 -0.487 10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.621 0.263 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.472 1.195 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.037 1.910 12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.676 -0.654 11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.175 0.955 11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.030 -0.394 9.962 1.00 0.00 H new ATOM 982 N GLU A 67 -13.252 2.679 6.691 1.00 0.00 N ATOM 983 CA GLU A 67 -13.570 2.970 5.300 1.00 0.00 C ATOM 984 C GLU A 67 -12.449 2.470 4.397 1.00 0.00 C ATOM 985 O GLU A 67 -12.699 1.877 3.347 1.00 0.00 O ATOM 986 CB GLU A 67 -13.782 4.474 5.102 1.00 0.00 C ATOM 987 CG GLU A 67 -15.123 4.821 4.475 1.00 0.00 C ATOM 988 CD GLU A 67 -15.839 5.938 5.209 1.00 0.00 C ATOM 989 OE1 GLU A 67 -15.183 6.948 5.540 1.00 0.00 O ATOM 990 OE2 GLU A 67 -17.056 5.802 5.455 1.00 0.00 O ATOM 0 H GLU A 67 -13.128 3.503 7.279 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.494 2.456 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.701 4.974 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.983 4.865 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.969 5.114 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.756 3.934 4.465 1.00 0.00 H new ATOM 997 N VAL A 68 -11.211 2.702 4.825 1.00 0.00 N ATOM 998 CA VAL A 68 -10.050 2.261 4.066 1.00 0.00 C ATOM 999 C VAL A 68 -10.019 0.741 3.988 1.00 0.00 C ATOM 1000 O VAL A 68 -9.822 0.164 2.916 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.736 2.757 4.705 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.547 2.416 3.822 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.800 4.254 4.974 1.00 0.00 C ATOM 0 H VAL A 68 -10.989 3.192 5.692 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.134 2.684 3.065 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.606 2.247 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.631 2.775 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.489 1.335 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.667 2.893 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.864 4.583 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.958 4.786 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.624 4.466 5.655 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.231 0.096 5.131 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.241 -1.359 5.195 1.00 0.00 C ATOM 1015 C VAL A 69 -11.378 -1.922 4.354 1.00 0.00 C ATOM 1016 O VAL A 69 -11.195 -2.883 3.607 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.390 -1.860 6.646 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.229 -3.371 6.707 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.383 -1.169 7.556 1.00 0.00 C ATOM 0 H VAL A 69 -10.398 0.559 6.024 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.286 -1.706 4.802 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.391 -1.611 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.337 -3.707 7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.993 -3.844 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.241 -3.647 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.503 -1.535 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.372 -1.384 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.552 -0.092 7.535 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.554 -1.311 4.473 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.718 -1.748 3.715 1.00 0.00 C ATOM 1031 C LYS A 70 -13.500 -1.519 2.224 1.00 0.00 C ATOM 1032 O LYS A 70 -13.894 -2.337 1.394 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.971 -1.003 4.181 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.599 -1.596 5.432 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.112 -1.454 5.418 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.793 -2.688 5.985 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.005 -3.734 4.945 1.00 0.00 N ATOM 0 H LYS A 70 -12.724 -0.514 5.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.859 -2.815 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.715 0.039 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.707 -1.008 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.332 -2.650 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.194 -1.099 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.402 -0.578 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.453 -1.286 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.187 -3.098 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.753 -2.406 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.472 -4.559 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.604 -3.352 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.087 -4.022 4.550 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.862 -0.400 1.892 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.582 -0.066 0.502 1.00 0.00 C ATOM 1053 C LEU A 71 -11.542 -1.015 -0.078 1.00 0.00 C ATOM 1054 O LEU A 71 -11.701 -1.521 -1.188 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.092 1.380 0.391 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.281 2.025 -0.983 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.260 3.541 -0.868 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.208 1.547 -1.948 1.00 0.00 C ATOM 0 H LEU A 71 -12.530 0.289 2.567 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.505 -0.171 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.615 1.983 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.033 1.409 0.646 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.253 1.724 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.396 3.983 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.066 3.867 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.303 3.861 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.358 2.016 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.225 1.818 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.270 0.464 -2.054 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.479 -1.260 0.685 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.419 -2.157 0.244 1.00 0.00 C ATOM 1072 C ILE A 72 -9.909 -3.602 0.217 1.00 0.00 C ATOM 1073 O ILE A 72 -9.525 -4.381 -0.654 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.178 -2.057 1.154 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.680 -0.612 1.216 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.073 -2.978 0.656 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.952 -0.278 2.500 1.00 0.00 C ATOM 0 H ILE A 72 -10.331 -0.851 1.608 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.138 -1.850 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.461 -2.372 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.014 -0.429 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.530 0.062 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.206 -2.893 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.430 -4.008 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.791 -2.693 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.627 0.762 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.621 -0.429 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.082 -0.927 2.605 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.762 -3.952 1.176 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.305 -5.303 1.259 1.00 0.00 C ATOM 1091 C LYS A 73 -12.330 -5.545 0.155 1.00 0.00 C ATOM 1092 O LYS A 73 -12.509 -6.676 -0.301 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.946 -5.537 2.627 1.00 0.00 C ATOM 1094 CG LYS A 73 -10.954 -5.948 3.700 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.580 -6.907 4.702 1.00 0.00 C ATOM 1096 CE LYS A 73 -10.572 -7.926 5.203 1.00 0.00 C ATOM 1097 NZ LYS A 73 -9.276 -7.291 5.572 1.00 0.00 N ATOM 0 H LYS A 73 -11.091 -3.319 1.905 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.483 -6.006 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.453 -4.625 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.709 -6.310 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.089 -6.420 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.592 -5.062 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.979 -6.344 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.420 -7.423 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.981 -8.446 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.402 -8.677 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.771 -7.900 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.696 -7.165 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.455 -6.364 6.009 1.00 0.00 H new ATOM 1111 N SER A 74 -13.002 -4.479 -0.269 1.00 0.00 N ATOM 1112 CA SER A 74 -14.009 -4.578 -1.318 1.00 0.00 C ATOM 1113 C SER A 74 -13.376 -4.997 -2.642 1.00 0.00 C ATOM 1114 O SER A 74 -13.121 -4.163 -3.510 1.00 0.00 O ATOM 1115 CB SER A 74 -14.734 -3.242 -1.486 1.00 0.00 C ATOM 1116 OG SER A 74 -15.900 -3.190 -0.682 1.00 0.00 O ATOM 0 H SER A 74 -12.867 -3.537 0.098 1.00 0.00 H new ATOM 0 HA SER A 74 -14.731 -5.340 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.065 -2.425 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.003 -3.100 -2.533 1.00 0.00 H new ATOM 0 HG SER A 74 -15.655 -2.941 0.234 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.127 -6.294 -2.787 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.527 -6.803 -4.008 1.00 0.00 C ATOM 1124 C GLY A 75 -11.287 -7.632 -3.742 1.00 0.00 C ATOM 1125 O GLY A 75 -10.517 -7.337 -2.828 1.00 0.00 O ATOM 0 H GLY A 75 -13.330 -7.002 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.258 -7.409 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.269 -5.967 -4.658 1.00 0.00 H new ATOM 1129 N SER A 76 -11.093 -8.674 -4.544 1.00 0.00 N ATOM 1130 CA SER A 76 -9.937 -9.551 -4.393 1.00 0.00 C ATOM 1131 C SER A 76 -8.651 -8.828 -4.783 1.00 0.00 C ATOM 1132 O SER A 76 -7.701 -8.766 -4.003 1.00 0.00 O ATOM 1133 CB SER A 76 -10.111 -10.808 -5.247 1.00 0.00 C ATOM 1134 OG SER A 76 -11.032 -10.586 -6.301 1.00 0.00 O ATOM 0 H SER A 76 -11.721 -8.932 -5.305 1.00 0.00 H new ATOM 0 HA SER A 76 -9.865 -9.840 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.147 -11.107 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.460 -11.630 -4.622 1.00 0.00 H new ATOM 0 HG SER A 76 -11.124 -11.404 -6.833 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.632 -8.280 -5.994 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.463 -7.559 -6.487 1.00 0.00 C ATOM 1142 C TYR A 77 -7.641 -6.055 -6.312 1.00 0.00 C ATOM 1143 O TYR A 77 -8.573 -5.464 -6.858 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.219 -7.888 -7.961 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.963 -9.355 -8.221 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.951 -10.304 -7.989 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.735 -9.791 -8.701 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.720 -11.646 -8.225 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.497 -11.132 -8.941 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.492 -12.055 -8.701 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.260 -13.390 -8.940 1.00 0.00 O ATOM 0 H TYR A 77 -9.411 -8.321 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.598 -7.875 -5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.084 -7.570 -8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.366 -7.311 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.915 -9.988 -7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.953 -9.071 -8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.498 -12.371 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.536 -11.454 -9.315 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.346 -13.509 -9.273 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.745 -5.441 -5.547 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.806 -4.006 -5.302 1.00 0.00 C ATOM 1163 C VAL A 78 -5.494 -3.325 -5.682 1.00 0.00 C ATOM 1164 O VAL A 78 -4.453 -3.579 -5.076 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.126 -3.703 -3.824 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.040 -4.259 -2.915 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.299 -2.207 -3.607 1.00 0.00 C ATOM 0 H VAL A 78 -5.968 -5.915 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.607 -3.611 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.066 -4.193 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.284 -4.035 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.973 -5.339 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.084 -3.802 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.524 -2.015 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.379 -1.691 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.118 -1.842 -4.227 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.553 -2.457 -6.686 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.372 -1.738 -7.145 1.00 0.00 C ATOM 1179 C ALA A 79 -4.412 -0.280 -6.700 1.00 0.00 C ATOM 1180 O ALA A 79 -5.162 0.527 -7.250 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.256 -1.827 -8.659 1.00 0.00 C ATOM 0 H ALA A 79 -6.407 -2.235 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.495 -2.204 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.369 -1.285 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.174 -2.872 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.141 -1.387 -9.118 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.602 0.050 -5.701 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.546 1.412 -5.180 1.00 0.00 C ATOM 1189 C LEU A 80 -2.204 2.064 -5.497 1.00 0.00 C ATOM 1190 O LEU A 80 -1.156 1.423 -5.415 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.781 1.412 -3.668 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.999 0.350 -2.892 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.662 0.849 -1.495 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.790 -0.946 -2.820 1.00 0.00 C ATOM 0 H LEU A 80 -2.975 -0.606 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.333 1.991 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.519 2.394 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.845 1.267 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.066 0.155 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.106 0.080 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.055 1.752 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.583 1.073 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.219 -1.690 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.739 -0.766 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.980 -1.313 -3.829 1.00 0.00 H new ATOM 1206 N THR A 81 -2.244 3.342 -5.859 1.00 0.00 N ATOM 1207 CA THR A 81 -1.031 4.083 -6.186 1.00 0.00 C ATOM 1208 C THR A 81 -0.382 4.646 -4.926 1.00 0.00 C ATOM 1209 O THR A 81 -1.000 5.416 -4.191 1.00 0.00 O ATOM 1210 CB THR A 81 -1.349 5.216 -7.162 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.972 4.713 -8.330 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.126 5.996 -7.594 1.00 0.00 C ATOM 0 H THR A 81 -3.103 3.886 -5.933 1.00 0.00 H new ATOM 0 HA THR A 81 -0.329 3.395 -6.657 1.00 0.00 H new ATOM 0 HB THR A 81 -2.014 5.886 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.169 5.454 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.423 6.784 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.350 6.440 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.577 5.326 -8.088 1.00 0.00 H new ATOM 1220 N VAL A 82 0.865 4.256 -4.683 1.00 0.00 N ATOM 1221 CA VAL A 82 1.598 4.720 -3.510 1.00 0.00 C ATOM 1222 C VAL A 82 2.790 5.583 -3.910 1.00 0.00 C ATOM 1223 O VAL A 82 3.085 5.741 -5.095 1.00 0.00 O ATOM 1224 CB VAL A 82 2.100 3.538 -2.658 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.957 2.930 -1.861 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.765 2.490 -3.537 1.00 0.00 C ATOM 0 H VAL A 82 1.390 3.619 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 82 0.903 5.317 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 82 2.843 3.912 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.331 2.097 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.532 3.686 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.188 2.571 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.113 1.663 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.046 2.119 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.613 2.936 -4.057 1.00 0.00 H new ATOM 1236 N GLN A 83 3.471 6.139 -2.914 1.00 0.00 N ATOM 1237 CA GLN A 83 4.633 6.987 -3.160 1.00 0.00 C ATOM 1238 C GLN A 83 5.747 6.686 -2.164 1.00 0.00 C ATOM 1239 O GLN A 83 5.487 6.283 -1.029 1.00 0.00 O ATOM 1240 CB GLN A 83 4.241 8.462 -3.076 1.00 0.00 C ATOM 1241 CG GLN A 83 5.395 9.415 -3.343 1.00 0.00 C ATOM 1242 CD GLN A 83 4.930 10.765 -3.854 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.457 11.603 -3.086 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.063 10.983 -5.158 1.00 0.00 N ATOM 0 H GLN A 83 3.239 6.018 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 83 5.001 6.774 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.445 8.659 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.835 8.665 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.966 9.555 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.070 8.967 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.460 10.260 -5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.768 11.873 -5.559 1.00 0.00 H new ATOM 1253 N GLY A 84 6.988 6.887 -2.592 1.00 0.00 N ATOM 1254 CA GLY A 84 8.124 6.633 -1.726 1.00 0.00 C ATOM 1255 C GLY A 84 9.449 6.754 -2.455 1.00 0.00 C ATOM 1256 O GLY A 84 9.596 6.263 -3.574 1.00 0.00 O ATOM 0 H GLY A 84 7.228 7.222 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.106 7.336 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.037 5.633 -1.301 1.00 0.00 H new