USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -141:sc= 0.885 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.731 K(o=-1,f=-1.7) USER MOD Set 1.3: A 85 CYS SG : rot 167:sc= -0.741 USER MOD Set 1.4: A 88 CYS SG : rot -125:sc= 2.65 USER MOD Set 1.5: A 90 THR OG1 : rot 76:sc= 1.44 USER MOD Set 1.6: A 92 TYR OH : rot -29:sc= -4.55! USER MOD Set 2.1: A 28 CYS SG : rot 110:sc= 0.64 USER MOD Set 2.2: A 31 CYS SG : rot -43:sc= 0.0242 USER MOD Set 2.3: A 39 SER OG : rot 53:sc= 1.43! USER MOD Set 2.4: A 66 HIS : no HE2:sc= -3.12 K(o=-0.92,f=-8.7!) USER MOD Set 2.5: A 69 CYS SG : rot 4:sc= 0.113! USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -79:sc= -0.324 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0405 (180deg=-0.328) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -101:sc= 0.62 USER MOD Single : A 44 MET CE :methyl 167:sc= -0.102 (180deg=-0.312) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.588 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -116:sc= -0.123 (180deg=-0.158) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -149:sc= -0.347 (180deg=-1.48!) USER MOD Single : A 74 TYR OH : rot 163:sc= 0.00547 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00628 K(o=-0.0063,f=-1.1) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00798) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.294 8.359 -0.251 1.00 0.00 N ATOM 67 CA GLU A 8 -2.316 7.776 -1.163 1.00 0.00 C ATOM 68 C GLU A 8 -2.596 6.293 -1.386 1.00 0.00 C ATOM 69 O GLU A 8 -3.150 5.604 -0.529 1.00 0.00 O ATOM 70 CB GLU A 8 -0.900 7.963 -0.614 1.00 0.00 C ATOM 71 CG GLU A 8 -0.502 9.418 -0.438 1.00 0.00 C ATOM 72 CD GLU A 8 1.001 9.609 -0.381 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.687 9.220 -1.349 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.492 10.149 0.633 1.00 0.00 O ATOM 0 HA GLU A 8 -2.398 8.291 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.822 7.455 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.192 7.480 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.908 10.004 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.949 9.805 0.478 1.00 0.00 H new ATOM 81 N PRO A 9 -2.204 5.789 -2.565 1.00 0.00 N ATOM 82 CA PRO A 9 -2.402 4.382 -2.930 1.00 0.00 C ATOM 83 C PRO A 9 -1.513 3.444 -2.122 1.00 0.00 C ATOM 84 O PRO A 9 -1.861 2.285 -1.898 1.00 0.00 O ATOM 85 CB PRO A 9 -2.017 4.342 -4.411 1.00 0.00 C ATOM 86 CG PRO A 9 -1.078 5.485 -4.589 1.00 0.00 C ATOM 87 CD PRO A 9 -1.538 6.552 -3.634 1.00 0.00 C ATOM 0 HA PRO A 9 -3.421 4.048 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.543 3.396 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.893 4.446 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.053 5.185 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.095 5.848 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.701 7.135 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.222 7.253 -4.113 1.00 0.00 H new ATOM 95 N GLU A 10 -0.364 3.952 -1.688 1.00 0.00 N ATOM 96 CA GLU A 10 0.575 3.157 -0.905 1.00 0.00 C ATOM 97 C GLU A 10 -0.078 2.651 0.378 1.00 0.00 C ATOM 98 O GLU A 10 0.166 1.524 0.807 1.00 0.00 O ATOM 99 CB GLU A 10 1.818 3.982 -0.567 1.00 0.00 C ATOM 100 CG GLU A 10 2.781 4.138 -1.732 1.00 0.00 C ATOM 101 CD GLU A 10 2.259 5.081 -2.798 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.654 6.111 -2.433 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.455 4.790 -3.996 1.00 0.00 O ATOM 0 H GLU A 10 -0.061 4.910 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 10 0.871 2.296 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.507 4.970 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.341 3.511 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.737 4.508 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.968 3.161 -2.177 1.00 0.00 H new ATOM 110 N GLN A 11 -0.907 3.494 0.985 1.00 0.00 N ATOM 111 CA GLN A 11 -1.594 3.133 2.219 1.00 0.00 C ATOM 112 C GLN A 11 -2.727 2.150 1.944 1.00 0.00 C ATOM 113 O GLN A 11 -2.885 1.155 2.652 1.00 0.00 O ATOM 114 CB GLN A 11 -2.144 4.384 2.907 1.00 0.00 C ATOM 115 CG GLN A 11 -1.075 5.225 3.585 1.00 0.00 C ATOM 116 CD GLN A 11 -1.628 6.507 4.175 1.00 0.00 C ATOM 117 OE1 GLN A 11 -2.621 7.050 3.689 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.987 7.000 5.228 1.00 0.00 N ATOM 0 H GLN A 11 -1.119 4.431 0.642 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.872 2.652 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.662 4.996 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.884 4.085 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.604 4.640 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.297 5.469 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.168 6.518 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.313 7.861 5.667 1.00 0.00 H new ATOM 127 N VAL A 12 -3.514 2.435 0.912 1.00 0.00 N ATOM 128 CA VAL A 12 -4.633 1.576 0.543 1.00 0.00 C ATOM 129 C VAL A 12 -4.202 0.116 0.465 1.00 0.00 C ATOM 130 O VAL A 12 -4.902 -0.775 0.948 1.00 0.00 O ATOM 131 CB VAL A 12 -5.239 1.994 -0.810 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.391 1.075 -1.186 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.696 3.444 -0.764 1.00 0.00 C ATOM 0 H VAL A 12 -3.397 3.255 0.316 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.388 1.688 1.321 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.469 1.904 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.806 1.386 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.029 0.050 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.165 1.130 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.121 3.722 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.451 3.563 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.844 4.087 -0.544 1.00 0.00 H new ATOM 143 N ILE A 13 -3.045 -0.122 -0.144 1.00 0.00 N ATOM 144 CA ILE A 13 -2.520 -1.475 -0.284 1.00 0.00 C ATOM 145 C ILE A 13 -2.436 -2.174 1.069 1.00 0.00 C ATOM 146 O ILE A 13 -3.057 -3.216 1.281 1.00 0.00 O ATOM 147 CB ILE A 13 -1.124 -1.472 -0.935 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.199 -0.895 -2.350 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.550 -2.881 -0.962 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.243 -1.560 -3.220 1.00 0.00 C ATOM 0 H ILE A 13 -2.454 0.604 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.212 -2.017 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.463 -0.842 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.416 0.171 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.224 -0.995 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.437 -2.863 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.466 -3.259 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.209 -3.531 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.240 -1.100 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.016 -2.622 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.226 -1.438 -2.766 1.00 0.00 H new ATOM 162 N ARG A 14 -1.665 -1.593 1.982 1.00 0.00 N ATOM 163 CA ARG A 14 -1.500 -2.159 3.315 1.00 0.00 C ATOM 164 C ARG A 14 -2.847 -2.301 4.017 1.00 0.00 C ATOM 165 O ARG A 14 -3.130 -3.322 4.643 1.00 0.00 O ATOM 166 CB ARG A 14 -0.566 -1.283 4.153 1.00 0.00 C ATOM 167 CG ARG A 14 0.909 -1.532 3.881 1.00 0.00 C ATOM 168 CD ARG A 14 1.365 -2.863 4.458 1.00 0.00 C ATOM 169 NE ARG A 14 1.521 -2.807 5.909 1.00 0.00 N ATOM 170 CZ ARG A 14 2.625 -2.383 6.513 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.665 -1.980 5.796 1.00 0.00 N ATOM 172 NH2 ARG A 14 2.691 -2.361 7.838 1.00 0.00 N ATOM 0 H ARG A 14 -1.145 -0.730 1.823 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.059 -3.150 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.791 -0.235 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.767 -1.460 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.089 -1.519 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.501 -0.725 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.641 -3.636 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.313 -3.150 4.002 1.00 0.00 H new ATOM 0 HE ARG A 14 0.739 -3.110 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.619 -1.995 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.511 -1.655 6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.893 -2.670 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.539 -2.035 8.301 1.00 0.00 H new ATOM 186 N LYS A 15 -3.676 -1.268 3.908 1.00 0.00 N ATOM 187 CA LYS A 15 -4.995 -1.276 4.530 1.00 0.00 C ATOM 188 C LYS A 15 -5.726 -2.582 4.239 1.00 0.00 C ATOM 189 O LYS A 15 -6.475 -3.086 5.077 1.00 0.00 O ATOM 190 CB LYS A 15 -5.825 -0.092 4.029 1.00 0.00 C ATOM 191 CG LYS A 15 -7.239 -0.063 4.582 1.00 0.00 C ATOM 192 CD LYS A 15 -8.091 0.981 3.880 1.00 0.00 C ATOM 193 CE LYS A 15 -9.557 0.857 4.268 1.00 0.00 C ATOM 194 NZ LYS A 15 -10.274 2.157 4.150 1.00 0.00 N ATOM 0 H LYS A 15 -3.458 -0.414 3.394 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.861 -1.188 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.319 0.835 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.870 -0.126 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.696 -1.045 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.208 0.150 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.729 1.978 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.989 0.870 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.040 0.117 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.632 0.493 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.270 2.030 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.829 2.857 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.225 2.493 3.167 1.00 0.00 H new ATOM 208 N TYR A 16 -5.504 -3.127 3.048 1.00 0.00 N ATOM 209 CA TYR A 16 -6.142 -4.375 2.647 1.00 0.00 C ATOM 210 C TYR A 16 -5.188 -5.553 2.813 1.00 0.00 C ATOM 211 O TYR A 16 -5.615 -6.689 3.024 1.00 0.00 O ATOM 212 CB TYR A 16 -6.614 -4.287 1.194 1.00 0.00 C ATOM 213 CG TYR A 16 -7.613 -3.179 0.948 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.656 -2.948 1.836 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.514 -2.364 -0.172 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.572 -1.938 1.614 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.424 -1.350 -0.401 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.452 -1.142 0.494 1.00 0.00 C ATOM 219 OH TYR A 16 -10.361 -0.134 0.271 1.00 0.00 O ATOM 0 H TYR A 16 -4.887 -2.724 2.343 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.005 -4.536 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.749 -4.135 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.062 -5.239 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.752 -3.568 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.711 -2.526 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.378 -1.773 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.331 -0.724 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.134 0.333 -0.560 1.00 0.00 H new ATOM 229 N THR A 17 -3.891 -5.275 2.717 1.00 0.00 N ATOM 230 CA THR A 17 -2.875 -6.310 2.856 1.00 0.00 C ATOM 231 C THR A 17 -2.037 -6.093 4.111 1.00 0.00 C ATOM 232 O THR A 17 -1.484 -5.014 4.320 1.00 0.00 O ATOM 233 CB THR A 17 -1.942 -6.349 1.631 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.277 -5.090 1.481 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.724 -6.669 0.366 1.00 0.00 C ATOM 0 H THR A 17 -3.520 -4.341 2.543 1.00 0.00 H new ATOM 0 HA THR A 17 -3.402 -7.261 2.934 1.00 0.00 H new ATOM 0 HB THR A 17 -1.202 -7.133 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.886 -4.446 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.044 -6.691 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.205 -7.641 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.484 -5.904 0.204 1.00 0.00 H new ATOM 243 N GLU A 18 -1.948 -7.126 4.944 1.00 0.00 N ATOM 244 CA GLU A 18 -1.177 -7.047 6.179 1.00 0.00 C ATOM 245 C GLU A 18 0.206 -7.665 5.997 1.00 0.00 C ATOM 246 O GLU A 18 0.332 -8.860 5.731 1.00 0.00 O ATOM 247 CB GLU A 18 -1.919 -7.753 7.315 1.00 0.00 C ATOM 248 CG GLU A 18 -1.635 -7.164 8.687 1.00 0.00 C ATOM 249 CD GLU A 18 -1.900 -8.147 9.810 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.795 -9.003 9.651 1.00 0.00 O ATOM 251 OE2 GLU A 18 -1.212 -8.060 10.849 1.00 0.00 O ATOM 0 H GLU A 18 -2.400 -8.027 4.786 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.054 -5.995 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.991 -7.704 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.643 -8.808 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.595 -6.840 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.252 -6.277 8.832 1.00 0.00 H new ATOM 258 N GLU A 19 1.239 -6.842 6.144 1.00 0.00 N ATOM 259 CA GLU A 19 2.613 -7.308 5.995 1.00 0.00 C ATOM 260 C GLU A 19 2.900 -8.469 6.942 1.00 0.00 C ATOM 261 O GLU A 19 2.514 -8.441 8.112 1.00 0.00 O ATOM 262 CB GLU A 19 3.595 -6.164 6.261 1.00 0.00 C ATOM 263 CG GLU A 19 5.046 -6.536 6.005 1.00 0.00 C ATOM 264 CD GLU A 19 5.999 -5.390 6.284 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.288 -5.137 7.473 1.00 0.00 O ATOM 266 OE2 GLU A 19 6.456 -4.748 5.316 1.00 0.00 O ATOM 0 H GLU A 19 1.151 -5.850 6.366 1.00 0.00 H new ATOM 0 HA GLU A 19 2.742 -7.657 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.330 -5.315 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.489 -5.839 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.315 -7.388 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.159 -6.853 4.968 1.00 0.00 H new ATOM 273 N LEU A 20 3.577 -9.490 6.429 1.00 0.00 N ATOM 274 CA LEU A 20 3.916 -10.662 7.228 1.00 0.00 C ATOM 275 C LEU A 20 5.377 -10.621 7.664 1.00 0.00 C ATOM 276 O LEU A 20 6.255 -10.228 6.896 1.00 0.00 O ATOM 277 CB LEU A 20 3.646 -11.941 6.433 1.00 0.00 C ATOM 278 CG LEU A 20 2.257 -12.060 5.805 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.144 -13.344 4.997 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.179 -12.006 6.878 1.00 0.00 C ATOM 0 H LEU A 20 3.902 -9.530 5.463 1.00 0.00 H new ATOM 0 HA LEU A 20 3.290 -10.656 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.389 -12.015 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.799 -12.795 7.093 1.00 0.00 H new ATOM 0 HG LEU A 20 2.112 -11.216 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.149 -13.411 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.891 -13.342 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.311 -14.201 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.197 -12.092 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.322 -12.829 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.245 -11.058 7.413 1.00 0.00 H new ATOM 292 N LYS A 21 5.631 -11.031 8.902 1.00 0.00 N ATOM 293 CA LYS A 21 6.986 -11.045 9.441 1.00 0.00 C ATOM 294 C LYS A 21 7.972 -11.603 8.421 1.00 0.00 C ATOM 295 O LYS A 21 9.117 -11.158 8.341 1.00 0.00 O ATOM 296 CB LYS A 21 7.038 -11.877 10.725 1.00 0.00 C ATOM 297 CG LYS A 21 6.494 -13.285 10.559 1.00 0.00 C ATOM 298 CD LYS A 21 5.874 -13.799 11.848 1.00 0.00 C ATOM 299 CE LYS A 21 4.898 -14.934 11.582 1.00 0.00 C ATOM 300 NZ LYS A 21 5.601 -16.207 11.261 1.00 0.00 N ATOM 0 H LYS A 21 4.916 -11.358 9.551 1.00 0.00 H new ATOM 0 HA LYS A 21 7.270 -10.018 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.070 -11.934 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.470 -11.366 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.747 -13.296 9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.298 -13.953 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.661 -14.144 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.357 -12.984 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.264 -15.080 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.242 -14.663 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.901 -16.956 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.187 -16.076 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.207 -16.480 12.061 1.00 0.00 H new ATOM 314 N VAL A 22 7.520 -12.580 7.640 1.00 0.00 N ATOM 315 CA VAL A 22 8.362 -13.198 6.623 1.00 0.00 C ATOM 316 C VAL A 22 7.519 -13.795 5.501 1.00 0.00 C ATOM 317 O VAL A 22 6.559 -14.522 5.752 1.00 0.00 O ATOM 318 CB VAL A 22 9.252 -14.301 7.225 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.401 -15.439 7.766 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.242 -14.810 6.188 1.00 0.00 C ATOM 0 H VAL A 22 6.575 -12.960 7.693 1.00 0.00 H new ATOM 0 HA VAL A 22 8.998 -12.411 6.217 1.00 0.00 H new ATOM 0 HB VAL A 22 9.816 -13.876 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.048 -16.209 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.736 -15.059 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.808 -15.866 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.863 -15.589 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.699 -15.219 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.874 -13.987 5.854 1.00 0.00 H new ATOM 330 N ALA A 23 7.887 -13.483 4.263 1.00 0.00 N ATOM 331 CA ALA A 23 7.166 -13.992 3.102 1.00 0.00 C ATOM 332 C ALA A 23 6.817 -15.466 3.275 1.00 0.00 C ATOM 333 O ALA A 23 7.672 -16.302 3.566 1.00 0.00 O ATOM 334 CB ALA A 23 7.990 -13.788 1.839 1.00 0.00 C ATOM 0 H ALA A 23 8.679 -12.881 4.038 1.00 0.00 H new ATOM 0 HA ALA A 23 6.234 -13.434 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.440 -14.172 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.184 -12.725 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.936 -14.321 1.932 1.00 0.00 H new ATOM 340 N PRO A 24 5.529 -15.795 3.092 1.00 0.00 N ATOM 341 CA PRO A 24 5.037 -17.169 3.224 1.00 0.00 C ATOM 342 C PRO A 24 5.529 -18.071 2.097 1.00 0.00 C ATOM 343 O PRO A 24 6.442 -17.711 1.356 1.00 0.00 O ATOM 344 CB PRO A 24 3.516 -17.010 3.156 1.00 0.00 C ATOM 345 CG PRO A 24 3.301 -15.749 2.392 1.00 0.00 C ATOM 346 CD PRO A 24 4.455 -14.850 2.743 1.00 0.00 C ATOM 0 HA PRO A 24 5.389 -17.641 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.051 -17.860 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.079 -16.948 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.269 -15.943 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.351 -15.287 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.737 -14.212 1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.212 -14.191 3.577 1.00 0.00 H new ATOM 354 N GLU A 25 4.916 -19.245 1.974 1.00 0.00 N ATOM 355 CA GLU A 25 5.294 -20.198 0.937 1.00 0.00 C ATOM 356 C GLU A 25 4.350 -20.103 -0.259 1.00 0.00 C ATOM 357 O GLU A 25 4.066 -21.101 -0.919 1.00 0.00 O ATOM 358 CB GLU A 25 5.285 -21.623 1.494 1.00 0.00 C ATOM 359 CG GLU A 25 6.578 -22.010 2.193 1.00 0.00 C ATOM 360 CD GLU A 25 7.770 -22.008 1.256 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.265 -20.910 0.927 1.00 0.00 O ATOM 362 OE2 GLU A 25 8.209 -23.106 0.852 1.00 0.00 O ATOM 0 H GLU A 25 4.157 -19.558 2.579 1.00 0.00 H new ATOM 0 HA GLU A 25 6.302 -19.952 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.457 -21.725 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.099 -22.322 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.764 -21.317 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.467 -23.002 2.632 1.00 0.00 H new ATOM 369 N GLU A 26 3.867 -18.894 -0.529 1.00 0.00 N ATOM 370 CA GLU A 26 2.954 -18.669 -1.644 1.00 0.00 C ATOM 371 C GLU A 26 3.715 -18.220 -2.888 1.00 0.00 C ATOM 372 O GLU A 26 4.897 -17.882 -2.818 1.00 0.00 O ATOM 373 CB GLU A 26 1.905 -17.620 -1.269 1.00 0.00 C ATOM 374 CG GLU A 26 0.539 -17.879 -1.883 1.00 0.00 C ATOM 375 CD GLU A 26 -0.350 -18.723 -0.991 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.578 -18.323 0.169 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.818 -19.785 -1.454 1.00 0.00 O ATOM 0 H GLU A 26 4.092 -18.057 0.008 1.00 0.00 H new ATOM 0 HA GLU A 26 2.453 -19.611 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.806 -17.589 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.256 -16.638 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.048 -16.927 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.665 -18.380 -2.843 1.00 0.00 H new ATOM 384 N ASP A 27 3.030 -18.221 -4.026 1.00 0.00 N ATOM 385 CA ASP A 27 3.640 -17.815 -5.287 1.00 0.00 C ATOM 386 C ASP A 27 2.852 -16.677 -5.930 1.00 0.00 C ATOM 387 O ASP A 27 1.654 -16.804 -6.185 1.00 0.00 O ATOM 388 CB ASP A 27 3.719 -19.003 -6.247 1.00 0.00 C ATOM 389 CG ASP A 27 4.024 -20.305 -5.532 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.217 -20.585 -5.291 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.069 -21.044 -5.213 1.00 0.00 O ATOM 0 H ASP A 27 2.051 -18.499 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 27 4.649 -17.461 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.774 -19.098 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.490 -18.813 -6.994 1.00 0.00 H new ATOM 396 N CYS A 28 3.533 -15.566 -6.188 1.00 0.00 N ATOM 397 CA CYS A 28 2.897 -14.405 -6.800 1.00 0.00 C ATOM 398 C CYS A 28 2.598 -14.662 -8.274 1.00 0.00 C ATOM 399 O CYS A 28 3.509 -14.870 -9.075 1.00 0.00 O ATOM 400 CB CYS A 28 3.794 -13.173 -6.657 1.00 0.00 C ATOM 401 SG CYS A 28 3.131 -11.675 -7.454 1.00 0.00 S ATOM 0 H CYS A 28 4.525 -15.445 -5.983 1.00 0.00 H new ATOM 0 HA CYS A 28 1.955 -14.223 -6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.948 -12.970 -5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.772 -13.397 -7.084 1.00 0.00 H new ATOM 0 HG CYS A 28 2.768 -10.823 -6.542 1.00 0.00 H new ATOM 406 N ILE A 29 1.316 -14.645 -8.623 1.00 0.00 N ATOM 407 CA ILE A 29 0.897 -14.874 -10.000 1.00 0.00 C ATOM 408 C ILE A 29 1.066 -13.615 -10.843 1.00 0.00 C ATOM 409 O ILE A 29 1.241 -13.689 -12.060 1.00 0.00 O ATOM 410 CB ILE A 29 -0.571 -15.334 -10.072 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.492 -14.267 -9.477 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.747 -16.659 -9.346 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.876 -14.254 -10.089 1.00 0.00 C ATOM 0 H ILE A 29 0.550 -14.475 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 29 1.536 -15.662 -10.398 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.841 -15.477 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.580 -14.432 -8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.034 -13.287 -9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.790 -16.971 -9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.115 -17.415 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.463 -16.541 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.474 -13.473 -9.619 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.799 -14.058 -11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.353 -15.221 -9.931 1.00 0.00 H new ATOM 425 N ILE A 30 1.014 -12.460 -10.189 1.00 0.00 N ATOM 426 CA ILE A 30 1.164 -11.184 -10.878 1.00 0.00 C ATOM 427 C ILE A 30 2.483 -11.123 -11.640 1.00 0.00 C ATOM 428 O ILE A 30 2.533 -10.667 -12.783 1.00 0.00 O ATOM 429 CB ILE A 30 1.097 -10.001 -9.894 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.253 -9.985 -9.173 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.328 -8.689 -10.627 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.272 -9.100 -7.946 1.00 0.00 C ATOM 0 H ILE A 30 0.869 -12.381 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 30 0.336 -11.107 -11.583 1.00 0.00 H new ATOM 0 HB ILE A 30 1.884 -10.122 -9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.022 -9.647 -9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.512 -11.003 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.278 -7.862 -9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.311 -8.704 -11.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.561 -8.559 -11.391 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.259 -9.137 -7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.474 -9.451 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.044 -8.074 -8.234 1.00 0.00 H new ATOM 444 N CYS A 31 3.552 -11.588 -11.001 1.00 0.00 N ATOM 445 CA CYS A 31 4.873 -11.588 -11.617 1.00 0.00 C ATOM 446 C CYS A 31 5.367 -13.014 -11.844 1.00 0.00 C ATOM 447 O CYS A 31 6.448 -13.227 -12.391 1.00 0.00 O ATOM 448 CB CYS A 31 5.868 -10.824 -10.741 1.00 0.00 C ATOM 449 SG CYS A 31 6.100 -11.540 -9.082 1.00 0.00 S ATOM 0 H CYS A 31 3.528 -11.970 -10.056 1.00 0.00 H new ATOM 0 HA CYS A 31 4.796 -11.091 -12.584 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.832 -10.791 -11.249 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.527 -9.794 -10.636 1.00 0.00 H new ATOM 0 HG CYS A 31 4.945 -11.881 -8.591 1.00 0.00 H new ATOM 454 N MET A 32 4.567 -13.986 -11.419 1.00 0.00 N ATOM 455 CA MET A 32 4.923 -15.392 -11.576 1.00 0.00 C ATOM 456 C MET A 32 6.296 -15.675 -10.977 1.00 0.00 C ATOM 457 O MET A 32 7.095 -16.411 -11.555 1.00 0.00 O ATOM 458 CB MET A 32 4.908 -15.780 -13.056 1.00 0.00 C ATOM 459 CG MET A 32 3.547 -15.621 -13.713 1.00 0.00 C ATOM 460 SD MET A 32 2.251 -16.539 -12.858 1.00 0.00 S ATOM 461 CE MET A 32 2.826 -18.221 -13.079 1.00 0.00 C ATOM 0 H MET A 32 3.668 -13.827 -10.963 1.00 0.00 H new ATOM 0 HA MET A 32 4.184 -15.991 -11.043 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.634 -15.168 -13.591 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.231 -16.816 -13.155 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.282 -14.564 -13.739 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.605 -15.960 -14.747 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.023 -18.915 -12.831 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.127 -18.369 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.678 -18.403 -12.424 1.00 0.00 H new ATOM 471 N GLU A 33 6.564 -15.086 -9.816 1.00 0.00 N ATOM 472 CA GLU A 33 7.842 -15.276 -9.140 1.00 0.00 C ATOM 473 C GLU A 33 7.633 -15.661 -7.679 1.00 0.00 C ATOM 474 O GLU A 33 6.614 -15.325 -7.075 1.00 0.00 O ATOM 475 CB GLU A 33 8.684 -14.001 -9.228 1.00 0.00 C ATOM 476 CG GLU A 33 9.158 -13.680 -10.635 1.00 0.00 C ATOM 477 CD GLU A 33 10.492 -12.959 -10.652 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.524 -13.616 -10.403 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.503 -11.737 -10.912 1.00 0.00 O ATOM 0 H GLU A 33 5.913 -14.473 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 33 8.371 -16.088 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.099 -13.162 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.551 -14.103 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.242 -14.605 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.410 -13.064 -11.134 1.00 0.00 H new ATOM 486 N LYS A 34 8.606 -16.368 -7.115 1.00 0.00 N ATOM 487 CA LYS A 34 8.532 -16.800 -5.724 1.00 0.00 C ATOM 488 C LYS A 34 8.675 -15.613 -4.777 1.00 0.00 C ATOM 489 O LYS A 34 9.647 -14.860 -4.851 1.00 0.00 O ATOM 490 CB LYS A 34 9.621 -17.834 -5.430 1.00 0.00 C ATOM 491 CG LYS A 34 9.257 -19.242 -5.868 1.00 0.00 C ATOM 492 CD LYS A 34 9.631 -19.489 -7.320 1.00 0.00 C ATOM 493 CE LYS A 34 11.040 -20.048 -7.445 1.00 0.00 C ATOM 494 NZ LYS A 34 11.496 -20.088 -8.862 1.00 0.00 N ATOM 0 H LYS A 34 9.456 -16.654 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 34 7.555 -17.255 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.541 -17.533 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.828 -17.837 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.767 -19.965 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.187 -19.400 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.921 -20.185 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.557 -18.556 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.727 -19.437 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.071 -21.053 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.460 -20.475 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.855 -20.692 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.491 -19.125 -9.256 1.00 0.00 H new ATOM 508 N LEU A 35 7.702 -15.451 -3.887 1.00 0.00 N ATOM 509 CA LEU A 35 7.720 -14.355 -2.924 1.00 0.00 C ATOM 510 C LEU A 35 9.110 -14.184 -2.321 1.00 0.00 C ATOM 511 O LEU A 35 9.550 -13.065 -2.058 1.00 0.00 O ATOM 512 CB LEU A 35 6.698 -14.608 -1.815 1.00 0.00 C ATOM 513 CG LEU A 35 5.267 -14.896 -2.273 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.434 -15.427 -1.117 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.633 -13.643 -2.859 1.00 0.00 C ATOM 0 H LEU A 35 6.891 -16.065 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 35 7.457 -13.437 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.043 -15.451 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.680 -13.737 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 35 5.301 -15.659 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.419 -15.626 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.878 -16.349 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.407 -14.686 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.615 -13.866 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.611 -12.858 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.217 -13.306 -3.715 1.00 0.00 H new ATOM 527 N ALA A 36 9.798 -15.300 -2.107 1.00 0.00 N ATOM 528 CA ALA A 36 11.141 -15.273 -1.539 1.00 0.00 C ATOM 529 C ALA A 36 12.033 -14.289 -2.287 1.00 0.00 C ATOM 530 O ALA A 36 12.827 -13.570 -1.680 1.00 0.00 O ATOM 531 CB ALA A 36 11.752 -16.666 -1.562 1.00 0.00 C ATOM 0 H ALA A 36 9.448 -16.235 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 36 11.065 -14.939 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.754 -16.631 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.132 -17.345 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.808 -17.022 -2.591 1.00 0.00 H new ATOM 537 N VAL A 37 11.899 -14.263 -3.609 1.00 0.00 N ATOM 538 CA VAL A 37 12.694 -13.367 -4.441 1.00 0.00 C ATOM 539 C VAL A 37 12.026 -12.002 -4.572 1.00 0.00 C ATOM 540 O VAL A 37 10.860 -11.834 -4.217 1.00 0.00 O ATOM 541 CB VAL A 37 12.915 -13.955 -5.847 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.650 -15.283 -5.761 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.587 -14.117 -6.571 1.00 0.00 C ATOM 0 H VAL A 37 11.247 -14.852 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 37 13.659 -13.251 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 37 13.532 -13.262 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.797 -15.683 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.619 -15.132 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.062 -15.987 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.762 -14.534 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.943 -14.789 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.103 -13.145 -6.666 1.00 0.00 H new ATOM 553 N ALA A 38 12.775 -11.030 -5.083 1.00 0.00 N ATOM 554 CA ALA A 38 12.255 -9.680 -5.263 1.00 0.00 C ATOM 555 C ALA A 38 11.057 -9.675 -6.207 1.00 0.00 C ATOM 556 O ALA A 38 10.750 -10.684 -6.842 1.00 0.00 O ATOM 557 CB ALA A 38 13.347 -8.760 -5.788 1.00 0.00 C ATOM 0 H ALA A 38 13.743 -11.152 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 38 11.921 -9.313 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.945 -7.755 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.172 -8.732 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.707 -9.133 -6.747 1.00 0.00 H new ATOM 563 N SER A 39 10.384 -8.532 -6.294 1.00 0.00 N ATOM 564 CA SER A 39 9.216 -8.397 -7.157 1.00 0.00 C ATOM 565 C SER A 39 9.636 -8.171 -8.607 1.00 0.00 C ATOM 566 O SER A 39 10.683 -7.585 -8.878 1.00 0.00 O ATOM 567 CB SER A 39 8.336 -7.238 -6.683 1.00 0.00 C ATOM 568 OG SER A 39 7.317 -6.953 -7.625 1.00 0.00 O ATOM 0 H SER A 39 10.627 -7.687 -5.778 1.00 0.00 H new ATOM 0 HA SER A 39 8.645 -9.324 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.887 -7.488 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.950 -6.351 -6.527 1.00 0.00 H new ATOM 0 HG SER A 39 6.823 -7.774 -7.831 1.00 0.00 H new ATOM 574 N GLY A 40 8.809 -8.642 -9.536 1.00 0.00 N ATOM 575 CA GLY A 40 9.110 -8.483 -10.946 1.00 0.00 C ATOM 576 C GLY A 40 8.978 -7.045 -11.409 1.00 0.00 C ATOM 577 O GLY A 40 9.760 -6.578 -12.237 1.00 0.00 O ATOM 0 H GLY A 40 7.936 -9.131 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.124 -8.832 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.439 -9.113 -11.531 1.00 0.00 H new ATOM 581 N TYR A 41 7.987 -6.342 -10.874 1.00 0.00 N ATOM 582 CA TYR A 41 7.753 -4.950 -11.239 1.00 0.00 C ATOM 583 C TYR A 41 8.814 -4.040 -10.628 1.00 0.00 C ATOM 584 O TYR A 41 8.963 -2.885 -11.028 1.00 0.00 O ATOM 585 CB TYR A 41 6.362 -4.507 -10.783 1.00 0.00 C ATOM 586 CG TYR A 41 5.239 -5.089 -11.611 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.807 -6.395 -11.413 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.609 -4.333 -12.592 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.782 -6.931 -12.168 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.582 -4.860 -13.352 1.00 0.00 C ATOM 591 CZ TYR A 41 3.173 -6.159 -13.136 1.00 0.00 C ATOM 592 OH TYR A 41 2.150 -6.689 -13.890 1.00 0.00 O ATOM 0 H TYR A 41 7.332 -6.713 -10.186 1.00 0.00 H new ATOM 0 HA TYR A 41 7.814 -4.872 -12.324 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.221 -4.796 -9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.305 -3.419 -10.823 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.281 -7.001 -10.655 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.928 -3.315 -12.764 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.459 -7.948 -12.002 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.103 -4.258 -14.110 1.00 0.00 H new ATOM 0 HH TYR A 41 1.829 -6.016 -14.526 1.00 0.00 H new ATOM 602 N SER A 42 9.550 -4.570 -9.657 1.00 0.00 N ATOM 603 CA SER A 42 10.596 -3.806 -8.987 1.00 0.00 C ATOM 604 C SER A 42 11.308 -2.882 -9.970 1.00 0.00 C ATOM 605 O SER A 42 11.692 -1.765 -9.621 1.00 0.00 O ATOM 606 CB SER A 42 11.608 -4.751 -8.334 1.00 0.00 C ATOM 607 OG SER A 42 12.403 -5.400 -9.311 1.00 0.00 O ATOM 0 H SER A 42 9.442 -5.525 -9.316 1.00 0.00 H new ATOM 0 HA SER A 42 10.128 -3.195 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.248 -4.189 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.082 -5.495 -7.736 1.00 0.00 H new ATOM 0 HG SER A 42 12.069 -6.310 -9.452 1.00 0.00 H new ATOM 613 N ASP A 43 11.479 -3.355 -11.199 1.00 0.00 N ATOM 614 CA ASP A 43 12.143 -2.571 -12.234 1.00 0.00 C ATOM 615 C ASP A 43 11.249 -1.430 -12.710 1.00 0.00 C ATOM 616 O ASP A 43 11.662 -0.271 -12.728 1.00 0.00 O ATOM 617 CB ASP A 43 12.522 -3.465 -13.416 1.00 0.00 C ATOM 618 CG ASP A 43 13.727 -4.336 -13.120 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.829 -3.780 -12.928 1.00 0.00 O ATOM 620 OD2 ASP A 43 13.568 -5.574 -13.079 1.00 0.00 O ATOM 0 H ASP A 43 11.167 -4.277 -11.503 1.00 0.00 H new ATOM 0 HA ASP A 43 13.050 -2.144 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.674 -4.099 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.732 -2.843 -14.286 1.00 0.00 H new ATOM 625 N MET A 44 10.022 -1.767 -13.095 1.00 0.00 N ATOM 626 CA MET A 44 9.070 -0.771 -13.570 1.00 0.00 C ATOM 627 C MET A 44 8.735 0.231 -12.469 1.00 0.00 C ATOM 628 O MET A 44 8.866 1.441 -12.655 1.00 0.00 O ATOM 629 CB MET A 44 7.791 -1.451 -14.063 1.00 0.00 C ATOM 630 CG MET A 44 6.773 -0.482 -14.643 1.00 0.00 C ATOM 631 SD MET A 44 5.174 -1.257 -14.949 1.00 0.00 S ATOM 632 CE MET A 44 4.246 -0.694 -13.524 1.00 0.00 C ATOM 0 H MET A 44 9.664 -2.722 -13.087 1.00 0.00 H new ATOM 0 HA MET A 44 9.530 -0.233 -14.399 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.051 -2.189 -14.821 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.334 -1.992 -13.234 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.642 0.355 -13.957 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.158 -0.072 -15.576 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.185 -0.892 -13.679 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.588 -1.224 -12.635 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.400 0.377 -13.390 1.00 0.00 H new ATOM 642 N THR A 45 8.303 -0.281 -11.321 1.00 0.00 N ATOM 643 CA THR A 45 7.948 0.568 -10.191 1.00 0.00 C ATOM 644 C THR A 45 9.191 1.028 -9.438 1.00 0.00 C ATOM 645 O THR A 45 10.153 0.274 -9.290 1.00 0.00 O ATOM 646 CB THR A 45 7.009 -0.163 -9.212 1.00 0.00 C ATOM 647 OG1 THR A 45 7.589 -1.411 -8.816 1.00 0.00 O ATOM 648 CG2 THR A 45 5.650 -0.409 -9.848 1.00 0.00 C ATOM 0 H THR A 45 8.191 -1.280 -11.149 1.00 0.00 H new ATOM 0 HA THR A 45 7.431 1.437 -10.598 1.00 0.00 H new ATOM 0 HB THR A 45 6.873 0.468 -8.334 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.889 -2.001 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.004 -0.926 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.198 0.545 -10.121 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.772 -1.022 -10.741 1.00 0.00 H new ATOM 656 N ASP A 46 9.163 2.268 -8.962 1.00 0.00 N ATOM 657 CA ASP A 46 10.288 2.828 -8.222 1.00 0.00 C ATOM 658 C ASP A 46 9.806 3.564 -6.975 1.00 0.00 C ATOM 659 O ASP A 46 10.313 4.634 -6.639 1.00 0.00 O ATOM 660 CB ASP A 46 11.090 3.778 -9.112 1.00 0.00 C ATOM 661 CG ASP A 46 12.373 4.245 -8.453 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.146 3.384 -7.983 1.00 0.00 O ATOM 663 OD2 ASP A 46 12.605 5.471 -8.408 1.00 0.00 O ATOM 0 H ASP A 46 8.374 2.904 -9.075 1.00 0.00 H new ATOM 0 HA ASP A 46 10.931 2.005 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.328 3.277 -10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.476 4.644 -9.360 1.00 0.00 H new ATOM 668 N SER A 47 8.823 2.983 -6.295 1.00 0.00 N ATOM 669 CA SER A 47 8.268 3.586 -5.088 1.00 0.00 C ATOM 670 C SER A 47 9.273 3.530 -3.942 1.00 0.00 C ATOM 671 O SER A 47 10.100 2.620 -3.869 1.00 0.00 O ATOM 672 CB SER A 47 6.976 2.874 -4.685 1.00 0.00 C ATOM 673 OG SER A 47 6.417 3.454 -3.519 1.00 0.00 O ATOM 0 H SER A 47 8.394 2.096 -6.559 1.00 0.00 H new ATOM 0 HA SER A 47 8.046 4.631 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.257 2.928 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.179 1.818 -4.508 1.00 0.00 H new ATOM 0 HG SER A 47 5.591 2.982 -3.283 1.00 0.00 H new ATOM 679 N LYS A 48 9.195 4.508 -3.047 1.00 0.00 N ATOM 680 CA LYS A 48 10.096 4.572 -1.901 1.00 0.00 C ATOM 681 C LYS A 48 9.463 3.922 -0.675 1.00 0.00 C ATOM 682 O LYS A 48 10.091 3.107 0.000 1.00 0.00 O ATOM 683 CB LYS A 48 10.457 6.026 -1.591 1.00 0.00 C ATOM 684 CG LYS A 48 11.474 6.618 -2.552 1.00 0.00 C ATOM 685 CD LYS A 48 10.798 7.267 -3.749 1.00 0.00 C ATOM 686 CE LYS A 48 11.705 8.292 -4.413 1.00 0.00 C ATOM 687 NZ LYS A 48 12.746 7.645 -5.258 1.00 0.00 N ATOM 0 H LYS A 48 8.517 5.268 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 48 11.004 4.024 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.550 6.630 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.851 6.086 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.081 7.358 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.150 5.835 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.523 6.500 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.874 7.750 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.105 8.964 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.185 8.902 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.344 8.376 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.334 7.023 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.288 7.083 -6.004 1.00 0.00 H new ATOM 701 N ALA A 49 8.216 4.286 -0.395 1.00 0.00 N ATOM 702 CA ALA A 49 7.498 3.736 0.748 1.00 0.00 C ATOM 703 C ALA A 49 7.432 2.214 0.673 1.00 0.00 C ATOM 704 O ALA A 49 7.787 1.520 1.627 1.00 0.00 O ATOM 705 CB ALA A 49 6.096 4.323 0.823 1.00 0.00 C ATOM 0 H ALA A 49 7.682 4.960 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 49 8.042 4.007 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.571 3.903 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.160 5.406 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.551 4.081 -0.089 1.00 0.00 H new ATOM 711 N LEU A 50 6.976 1.701 -0.464 1.00 0.00 N ATOM 712 CA LEU A 50 6.863 0.260 -0.662 1.00 0.00 C ATOM 713 C LEU A 50 8.188 -0.330 -1.135 1.00 0.00 C ATOM 714 O LEU A 50 9.124 0.400 -1.459 1.00 0.00 O ATOM 715 CB LEU A 50 5.763 -0.050 -1.679 1.00 0.00 C ATOM 716 CG LEU A 50 4.333 0.263 -1.236 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.408 0.349 -2.440 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.837 -0.789 -0.254 1.00 0.00 C ATOM 0 H LEU A 50 6.678 2.261 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 50 6.604 -0.194 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.971 0.510 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.820 -1.108 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 50 4.332 1.230 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.395 0.572 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.752 1.139 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.413 -0.603 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.818 -0.551 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.853 -1.769 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.484 -0.802 0.623 1.00 0.00 H new ATOM 730 N GLY A 51 8.259 -1.657 -1.173 1.00 0.00 N ATOM 731 CA GLY A 51 9.473 -2.323 -1.609 1.00 0.00 C ATOM 732 C GLY A 51 9.192 -3.624 -2.334 1.00 0.00 C ATOM 733 O GLY A 51 8.139 -4.239 -2.164 1.00 0.00 O ATOM 0 H GLY A 51 7.498 -2.283 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.033 -1.658 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.105 -2.522 -0.744 1.00 0.00 H new ATOM 737 N PRO A 52 10.150 -4.063 -3.164 1.00 0.00 N ATOM 738 CA PRO A 52 10.023 -5.304 -3.934 1.00 0.00 C ATOM 739 C PRO A 52 10.085 -6.544 -3.049 1.00 0.00 C ATOM 740 O PRO A 52 9.386 -7.527 -3.293 1.00 0.00 O ATOM 741 CB PRO A 52 11.226 -5.259 -4.879 1.00 0.00 C ATOM 742 CG PRO A 52 12.225 -4.403 -4.180 1.00 0.00 C ATOM 743 CD PRO A 52 11.431 -3.381 -3.414 1.00 0.00 C ATOM 0 HA PRO A 52 9.063 -5.370 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.621 -6.258 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.953 -4.839 -5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.847 -4.997 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.894 -3.922 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.926 -3.102 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.293 -2.465 -3.989 1.00 0.00 H new ATOM 751 N MET A 53 10.927 -6.491 -2.022 1.00 0.00 N ATOM 752 CA MET A 53 11.078 -7.610 -1.100 1.00 0.00 C ATOM 753 C MET A 53 9.878 -7.710 -0.164 1.00 0.00 C ATOM 754 O MET A 53 9.430 -8.806 0.172 1.00 0.00 O ATOM 755 CB MET A 53 12.365 -7.458 -0.286 1.00 0.00 C ATOM 756 CG MET A 53 13.607 -7.942 -1.016 1.00 0.00 C ATOM 757 SD MET A 53 13.959 -9.683 -0.707 1.00 0.00 S ATOM 758 CE MET A 53 14.739 -10.149 -2.251 1.00 0.00 C ATOM 0 H MET A 53 11.515 -5.685 -1.808 1.00 0.00 H new ATOM 0 HA MET A 53 11.135 -8.527 -1.687 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.495 -6.409 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.263 -8.012 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.478 -7.786 -2.087 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.463 -7.342 -0.707 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.125 -10.892 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.843 -9.269 -2.886 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.724 -10.569 -2.049 1.00 0.00 H new ATOM 768 N VAL A 54 9.363 -6.558 0.255 1.00 0.00 N ATOM 769 CA VAL A 54 8.215 -6.516 1.152 1.00 0.00 C ATOM 770 C VAL A 54 7.101 -7.436 0.663 1.00 0.00 C ATOM 771 O VAL A 54 6.775 -7.457 -0.523 1.00 0.00 O ATOM 772 CB VAL A 54 7.661 -5.085 1.289 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.469 -5.061 2.233 1.00 0.00 C ATOM 774 CG2 VAL A 54 8.750 -4.137 1.767 1.00 0.00 C ATOM 0 H VAL A 54 9.723 -5.642 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 54 8.563 -6.858 2.127 1.00 0.00 H new ATOM 0 HB VAL A 54 7.323 -4.749 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.092 -4.042 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.683 -5.708 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.777 -5.416 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.342 -3.130 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.120 -4.468 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.569 -4.132 1.048 1.00 0.00 H new ATOM 784 N VAL A 55 6.520 -8.195 1.587 1.00 0.00 N ATOM 785 CA VAL A 55 5.441 -9.116 1.251 1.00 0.00 C ATOM 786 C VAL A 55 4.386 -9.152 2.351 1.00 0.00 C ATOM 787 O VAL A 55 4.710 -9.112 3.537 1.00 0.00 O ATOM 788 CB VAL A 55 5.973 -10.543 1.018 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.847 -11.470 0.588 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.090 -10.533 -0.015 1.00 0.00 C ATOM 0 H VAL A 55 6.779 -8.190 2.574 1.00 0.00 H new ATOM 0 HA VAL A 55 4.988 -8.750 0.330 1.00 0.00 H new ATOM 0 HB VAL A 55 6.380 -10.917 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.242 -12.473 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.084 -11.500 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.406 -11.102 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.454 -11.549 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.710 -10.139 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.907 -9.904 0.339 1.00 0.00 H new ATOM 800 N GLY A 56 3.121 -9.229 1.948 1.00 0.00 N ATOM 801 CA GLY A 56 2.037 -9.269 2.912 1.00 0.00 C ATOM 802 C GLY A 56 0.866 -10.102 2.432 1.00 0.00 C ATOM 803 O GLY A 56 0.764 -10.418 1.247 1.00 0.00 O ATOM 0 H GLY A 56 2.828 -9.264 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.407 -9.676 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.698 -8.253 3.115 1.00 0.00 H new ATOM 807 N ARG A 57 -0.021 -10.461 3.355 1.00 0.00 N ATOM 808 CA ARG A 57 -1.190 -11.266 3.020 1.00 0.00 C ATOM 809 C ARG A 57 -2.474 -10.464 3.212 1.00 0.00 C ATOM 810 O ARG A 57 -2.628 -9.745 4.200 1.00 0.00 O ATOM 811 CB ARG A 57 -1.230 -12.529 3.882 1.00 0.00 C ATOM 812 CG ARG A 57 -0.566 -13.731 3.232 1.00 0.00 C ATOM 813 CD ARG A 57 -0.863 -15.012 3.996 1.00 0.00 C ATOM 814 NE ARG A 57 -0.251 -16.179 3.366 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.703 -17.419 3.520 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.765 -17.651 4.279 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.093 -18.429 2.914 1.00 0.00 N ATOM 0 H ARG A 57 0.048 -10.207 4.340 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.115 -11.553 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.740 -12.325 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.269 -12.774 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.915 -13.830 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.512 -13.573 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.496 -14.918 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.942 -15.156 4.056 1.00 0.00 H new ATOM 0 HE ARG A 57 0.568 -16.034 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.237 -16.877 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.110 -18.604 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.724 -18.254 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.441 -19.380 3.033 1.00 0.00 H new ATOM 831 N LEU A 58 -3.393 -10.594 2.262 1.00 0.00 N ATOM 832 CA LEU A 58 -4.665 -9.882 2.326 1.00 0.00 C ATOM 833 C LEU A 58 -5.424 -10.236 3.600 1.00 0.00 C ATOM 834 O LEU A 58 -4.991 -11.086 4.378 1.00 0.00 O ATOM 835 CB LEU A 58 -5.519 -10.212 1.100 1.00 0.00 C ATOM 836 CG LEU A 58 -5.037 -9.634 -0.230 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.537 -10.478 -1.392 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.494 -8.190 -0.381 1.00 0.00 C ATOM 0 H LEU A 58 -3.282 -11.185 1.438 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.455 -8.813 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.575 -11.296 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.533 -9.855 1.282 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.947 -9.652 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.184 -10.051 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.159 -11.496 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.627 -10.493 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.142 -7.795 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.583 -8.148 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.085 -7.592 0.433 1.00 0.00 H new ATOM 850 N THR A 59 -6.562 -9.580 3.807 1.00 0.00 N ATOM 851 CA THR A 59 -7.383 -9.826 4.986 1.00 0.00 C ATOM 852 C THR A 59 -8.699 -10.498 4.609 1.00 0.00 C ATOM 853 O THR A 59 -9.471 -10.905 5.477 1.00 0.00 O ATOM 854 CB THR A 59 -7.685 -8.520 5.743 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.408 -7.619 4.896 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.399 -7.858 6.215 1.00 0.00 C ATOM 0 H THR A 59 -6.936 -8.874 3.173 1.00 0.00 H new ATOM 0 HA THR A 59 -6.812 -10.490 5.636 1.00 0.00 H new ATOM 0 HB THR A 59 -8.291 -8.764 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.598 -6.791 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.638 -6.937 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.865 -8.535 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.771 -7.627 5.354 1.00 0.00 H new ATOM 864 N LYS A 60 -8.948 -10.612 3.309 1.00 0.00 N ATOM 865 CA LYS A 60 -10.170 -11.237 2.816 1.00 0.00 C ATOM 866 C LYS A 60 -9.938 -12.711 2.499 1.00 0.00 C ATOM 867 O LYS A 60 -10.384 -13.592 3.235 1.00 0.00 O ATOM 868 CB LYS A 60 -10.671 -10.509 1.567 1.00 0.00 C ATOM 869 CG LYS A 60 -11.692 -9.424 1.863 1.00 0.00 C ATOM 870 CD LYS A 60 -11.138 -8.384 2.823 1.00 0.00 C ATOM 871 CE LYS A 60 -11.972 -7.113 2.810 1.00 0.00 C ATOM 872 NZ LYS A 60 -13.038 -7.139 3.850 1.00 0.00 N ATOM 0 H LYS A 60 -8.320 -10.280 2.577 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.926 -11.166 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.820 -10.064 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.113 -11.236 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.990 -8.940 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.589 -9.873 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.115 -8.795 3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.109 -8.148 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.324 -6.252 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.426 -6.987 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.585 -6.255 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.671 -7.946 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.604 -7.234 4.790 1.00 0.00 H new ATOM 886 N CYS A 61 -9.237 -12.972 1.401 1.00 0.00 N ATOM 887 CA CYS A 61 -8.945 -14.339 0.988 1.00 0.00 C ATOM 888 C CYS A 61 -7.633 -14.824 1.598 1.00 0.00 C ATOM 889 O CYS A 61 -7.275 -15.995 1.477 1.00 0.00 O ATOM 890 CB CYS A 61 -8.874 -14.429 -0.538 1.00 0.00 C ATOM 891 SG CYS A 61 -7.664 -13.296 -1.294 1.00 0.00 S ATOM 0 H CYS A 61 -8.861 -12.255 0.781 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.751 -14.980 1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.623 -15.452 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.861 -14.217 -0.950 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.153 -12.813 -2.398 1.00 0.00 H new ATOM 896 N SER A 62 -6.921 -13.914 2.255 1.00 0.00 N ATOM 897 CA SER A 62 -5.647 -14.246 2.882 1.00 0.00 C ATOM 898 C SER A 62 -4.655 -14.773 1.849 1.00 0.00 C ATOM 899 O SER A 62 -3.994 -15.788 2.068 1.00 0.00 O ATOM 900 CB SER A 62 -5.853 -15.287 3.984 1.00 0.00 C ATOM 901 OG SER A 62 -6.390 -14.692 5.153 1.00 0.00 O ATOM 0 H SER A 62 -7.205 -12.941 2.367 1.00 0.00 H new ATOM 0 HA SER A 62 -5.239 -13.336 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.524 -16.069 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.902 -15.765 4.219 1.00 0.00 H new ATOM 0 HG SER A 62 -6.514 -15.378 5.842 1.00 0.00 H new ATOM 907 N HIS A 63 -4.556 -14.073 0.723 1.00 0.00 N ATOM 908 CA HIS A 63 -3.644 -14.469 -0.345 1.00 0.00 C ATOM 909 C HIS A 63 -2.407 -13.576 -0.361 1.00 0.00 C ATOM 910 O HIS A 63 -2.511 -12.357 -0.492 1.00 0.00 O ATOM 911 CB HIS A 63 -4.351 -14.404 -1.699 1.00 0.00 C ATOM 912 CG HIS A 63 -5.334 -15.513 -1.915 1.00 0.00 C ATOM 913 ND1 HIS A 63 -5.995 -15.711 -3.109 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.766 -16.488 -1.082 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.791 -16.759 -3.000 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.671 -17.249 -1.780 1.00 0.00 N ATOM 0 H HIS A 63 -5.095 -13.230 0.527 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.328 -15.495 -0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.869 -13.449 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.603 -14.433 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.456 -16.639 -0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.432 -17.149 -3.777 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.169 -18.061 -1.415 1.00 0.00 H new ATOM 924 N ALA A 64 -1.237 -14.192 -0.225 1.00 0.00 N ATOM 925 CA ALA A 64 0.020 -13.454 -0.225 1.00 0.00 C ATOM 926 C ALA A 64 0.293 -12.835 -1.591 1.00 0.00 C ATOM 927 O ALA A 64 0.089 -13.472 -2.625 1.00 0.00 O ATOM 928 CB ALA A 64 1.168 -14.366 0.183 1.00 0.00 C ATOM 0 H ALA A 64 -1.134 -15.201 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.062 -12.645 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.100 -13.801 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.985 -14.756 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.242 -15.195 -0.521 1.00 0.00 H new ATOM 934 N PHE A 65 0.754 -11.588 -1.589 1.00 0.00 N ATOM 935 CA PHE A 65 1.053 -10.882 -2.830 1.00 0.00 C ATOM 936 C PHE A 65 2.034 -9.739 -2.582 1.00 0.00 C ATOM 937 O PHE A 65 1.876 -8.964 -1.639 1.00 0.00 O ATOM 938 CB PHE A 65 -0.233 -10.338 -3.455 1.00 0.00 C ATOM 939 CG PHE A 65 -0.920 -11.319 -4.362 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.500 -11.484 -5.672 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.986 -12.077 -3.904 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.129 -12.386 -6.508 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.619 -12.981 -4.736 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.191 -13.135 -6.040 1.00 0.00 C ATOM 0 H PHE A 65 0.928 -11.046 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 65 1.513 -11.590 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.920 -10.048 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.000 -9.435 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.329 -10.900 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.326 -11.960 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.791 -12.505 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.448 -13.567 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.686 -13.839 -6.692 1.00 0.00 H new ATOM 954 N HIS A 66 3.048 -9.643 -3.435 1.00 0.00 N ATOM 955 CA HIS A 66 4.056 -8.595 -3.310 1.00 0.00 C ATOM 956 C HIS A 66 3.400 -7.225 -3.172 1.00 0.00 C ATOM 957 O HIS A 66 2.960 -6.633 -4.159 1.00 0.00 O ATOM 958 CB HIS A 66 4.989 -8.608 -4.522 1.00 0.00 C ATOM 959 CG HIS A 66 5.876 -9.813 -4.582 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.578 -10.930 -5.333 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.060 -10.071 -3.979 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.540 -11.824 -5.189 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.452 -11.327 -4.373 1.00 0.00 N ATOM 0 H HIS A 66 3.194 -10.277 -4.220 1.00 0.00 H new ATOM 0 HA HIS A 66 4.639 -8.791 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.390 -8.562 -5.432 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.609 -7.711 -4.503 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.745 -11.048 -5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.596 -9.412 -3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.575 -12.796 -5.659 1.00 0.00 H new ATOM 971 N LEU A 67 3.338 -6.725 -1.943 1.00 0.00 N ATOM 972 CA LEU A 67 2.735 -5.424 -1.676 1.00 0.00 C ATOM 973 C LEU A 67 3.027 -4.445 -2.809 1.00 0.00 C ATOM 974 O LEU A 67 2.207 -3.581 -3.124 1.00 0.00 O ATOM 975 CB LEU A 67 3.257 -4.860 -0.353 1.00 0.00 C ATOM 976 CG LEU A 67 3.014 -5.722 0.886 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.418 -4.972 2.146 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.555 -6.148 0.962 1.00 0.00 C ATOM 0 H LEU A 67 3.698 -7.201 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 67 1.656 -5.559 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.330 -4.693 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.796 -3.886 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 67 3.630 -6.618 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.238 -5.601 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.477 -4.718 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.829 -4.059 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.401 -6.761 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.920 -5.264 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.298 -6.725 0.074 1.00 0.00 H new ATOM 990 N LEU A 68 4.198 -4.588 -3.420 1.00 0.00 N ATOM 991 CA LEU A 68 4.597 -3.718 -4.520 1.00 0.00 C ATOM 992 C LEU A 68 3.816 -4.050 -5.788 1.00 0.00 C ATOM 993 O LEU A 68 3.241 -3.167 -6.425 1.00 0.00 O ATOM 994 CB LEU A 68 6.098 -3.852 -4.783 1.00 0.00 C ATOM 995 CG LEU A 68 6.684 -2.903 -5.829 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.909 -1.523 -5.232 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.984 -3.462 -6.388 1.00 0.00 C ATOM 0 H LEU A 68 4.887 -5.298 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 68 4.374 -2.689 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.627 -3.695 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.302 -4.876 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 68 5.970 -2.810 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.326 -0.862 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.959 -1.119 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.603 -1.598 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.387 -2.773 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.704 -3.585 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.794 -4.428 -6.855 1.00 0.00 H new ATOM 1009 N CYS A 69 3.798 -5.329 -6.148 1.00 0.00 N ATOM 1010 CA CYS A 69 3.086 -5.779 -7.338 1.00 0.00 C ATOM 1011 C CYS A 69 1.649 -5.266 -7.338 1.00 0.00 C ATOM 1012 O CYS A 69 1.131 -4.839 -8.371 1.00 0.00 O ATOM 1013 CB CYS A 69 3.094 -7.307 -7.415 1.00 0.00 C ATOM 1014 SG CYS A 69 4.690 -8.017 -7.933 1.00 0.00 S ATOM 0 H CYS A 69 4.269 -6.072 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 69 3.597 -5.375 -8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.829 -7.711 -6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.321 -7.629 -8.113 1.00 0.00 H new ATOM 0 HG CYS A 69 5.566 -7.066 -8.064 1.00 0.00 H new ATOM 1019 N LEU A 70 1.011 -5.311 -6.174 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.367 -4.851 -6.039 1.00 0.00 C ATOM 1021 C LEU A 70 -0.483 -3.369 -6.384 1.00 0.00 C ATOM 1022 O LEU A 70 -1.417 -2.951 -7.069 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.870 -5.096 -4.616 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.919 -6.556 -4.163 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.100 -6.641 -2.656 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.036 -7.300 -4.880 1.00 0.00 C ATOM 0 H LEU A 70 1.425 -5.661 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.983 -5.417 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.232 -4.544 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.872 -4.676 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 70 0.029 -7.029 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.133 -7.687 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.265 -6.145 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.032 -6.152 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.056 -8.337 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.992 -6.827 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.862 -7.269 -5.956 1.00 0.00 H new ATOM 1038 N LEU A 71 0.473 -2.580 -5.906 1.00 0.00 N ATOM 1039 CA LEU A 71 0.481 -1.145 -6.165 1.00 0.00 C ATOM 1040 C LEU A 71 0.651 -0.861 -7.654 1.00 0.00 C ATOM 1041 O LEU A 71 0.026 0.049 -8.198 1.00 0.00 O ATOM 1042 CB LEU A 71 1.603 -0.470 -5.374 1.00 0.00 C ATOM 1043 CG LEU A 71 1.830 1.014 -5.665 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.990 1.875 -4.735 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.305 1.364 -5.532 1.00 0.00 C ATOM 0 H LEU A 71 1.253 -2.910 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.478 -0.738 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.390 -0.583 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.532 -1.005 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 71 1.521 1.215 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.165 2.928 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.065 1.644 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.268 1.671 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.448 2.424 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.640 1.147 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.885 0.772 -6.240 1.00 0.00 H new ATOM 1057 N ALA A 72 1.499 -1.648 -8.308 1.00 0.00 N ATOM 1058 CA ALA A 72 1.748 -1.484 -9.735 1.00 0.00 C ATOM 1059 C ALA A 72 0.475 -1.708 -10.544 1.00 0.00 C ATOM 1060 O ALA A 72 0.172 -0.951 -11.465 1.00 0.00 O ATOM 1061 CB ALA A 72 2.842 -2.437 -10.193 1.00 0.00 C ATOM 0 H ALA A 72 2.025 -2.405 -7.872 1.00 0.00 H new ATOM 0 HA ALA A 72 2.079 -0.460 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.017 -2.304 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.761 -2.227 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.533 -3.465 -10.002 1.00 0.00 H new ATOM 1067 N MET A 73 -0.266 -2.754 -10.193 1.00 0.00 N ATOM 1068 CA MET A 73 -1.507 -3.078 -10.887 1.00 0.00 C ATOM 1069 C MET A 73 -2.578 -2.029 -10.604 1.00 0.00 C ATOM 1070 O MET A 73 -3.330 -1.638 -11.497 1.00 0.00 O ATOM 1071 CB MET A 73 -2.007 -4.460 -10.465 1.00 0.00 C ATOM 1072 CG MET A 73 -3.043 -5.047 -11.410 1.00 0.00 C ATOM 1073 SD MET A 73 -4.731 -4.612 -10.949 1.00 0.00 S ATOM 1074 CE MET A 73 -4.831 -5.334 -9.313 1.00 0.00 C ATOM 0 H MET A 73 -0.029 -3.391 -9.433 1.00 0.00 H new ATOM 0 HA MET A 73 -1.304 -3.085 -11.958 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.158 -5.141 -10.402 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.436 -4.392 -9.465 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.845 -4.696 -12.423 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.943 -6.132 -11.424 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.856 -5.649 -9.116 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.168 -6.197 -9.255 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.530 -4.595 -8.570 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.641 -1.576 -9.357 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.622 -0.574 -8.956 1.00 0.00 C ATOM 1086 C TYR A 74 -3.344 0.763 -9.636 1.00 0.00 C ATOM 1087 O TYR A 74 -4.256 1.412 -10.149 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.610 -0.398 -7.436 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.257 0.887 -6.971 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.619 2.109 -7.140 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.506 0.878 -6.363 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.207 3.286 -6.715 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.102 2.049 -5.936 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.448 3.250 -6.114 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.036 4.420 -5.691 1.00 0.00 O ATOM 0 H TYR A 74 -2.024 -1.887 -8.606 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.607 -0.922 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.125 -1.242 -6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.579 -0.424 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.648 2.140 -7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.020 -0.061 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.697 4.228 -6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.074 2.024 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.993 4.271 -5.545 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.078 1.167 -9.637 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.678 2.426 -10.254 1.00 0.00 C ATOM 1107 C CYS A 75 -1.813 2.356 -11.771 1.00 0.00 C ATOM 1108 O CYS A 75 -2.231 3.319 -12.412 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.237 2.769 -9.873 1.00 0.00 C ATOM 1110 SG CYS A 75 0.293 4.416 -10.398 1.00 0.00 S ATOM 0 H CYS A 75 -1.312 0.641 -9.217 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.340 3.209 -9.885 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.131 2.693 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.430 2.027 -10.312 1.00 0.00 H new ATOM 0 HG CYS A 75 1.524 4.614 -10.029 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.478 4.198 -5.186 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.504 3.942 -3.758 1.00 0.00 C ATOM 1187 C GLY A 81 -9.990 2.544 -3.428 1.00 0.00 C ATOM 1188 O GLY A 81 -10.796 2.359 -2.517 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.503 4.081 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.151 4.672 -3.273 1.00 0.00 H new ATOM 1192 N SER A 82 -9.499 1.558 -4.172 1.00 0.00 N ATOM 1193 CA SER A 82 -9.893 0.170 -3.958 1.00 0.00 C ATOM 1194 C SER A 82 -8.785 -0.783 -4.397 1.00 0.00 C ATOM 1195 O SER A 82 -7.743 -0.355 -4.894 1.00 0.00 O ATOM 1196 CB SER A 82 -11.181 -0.141 -4.722 1.00 0.00 C ATOM 1197 OG SER A 82 -10.992 0.001 -6.120 1.00 0.00 O ATOM 0 H SER A 82 -8.828 1.694 -4.928 1.00 0.00 H new ATOM 0 HA SER A 82 -10.069 0.029 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.505 -1.157 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.975 0.527 -4.389 1.00 0.00 H new ATOM 0 HG SER A 82 -11.829 -0.205 -6.586 1.00 0.00 H new ATOM 1203 N LEU A 83 -9.018 -2.077 -4.209 1.00 0.00 N ATOM 1204 CA LEU A 83 -8.041 -3.093 -4.585 1.00 0.00 C ATOM 1205 C LEU A 83 -8.711 -4.450 -4.772 1.00 0.00 C ATOM 1206 O LEU A 83 -9.491 -4.888 -3.927 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.946 -3.193 -3.522 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.629 -3.826 -3.973 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.857 -5.251 -4.451 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.984 -2.991 -5.070 1.00 0.00 C ATOM 0 H LEU A 83 -9.875 -2.448 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.592 -2.797 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.736 -2.190 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.334 -3.769 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.952 -3.855 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.908 -5.685 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.274 -5.845 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.552 -5.246 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.048 -3.456 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.658 -2.930 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.784 -1.988 -4.693 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.399 -5.111 -5.882 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.970 -6.420 -6.178 1.00 0.00 C ATOM 1224 C GLN A 84 -7.873 -7.464 -6.359 1.00 0.00 C ATOM 1225 O GLN A 84 -6.842 -7.196 -6.975 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.836 -6.349 -7.437 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.670 -7.597 -7.672 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.361 -7.592 -9.022 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.912 -6.931 -9.959 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.459 -8.331 -9.128 1.00 0.00 N ATOM 0 H GLN A 84 -7.754 -4.762 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.592 -6.716 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.499 -5.487 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.193 -6.184 -8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.030 -8.476 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.419 -7.682 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.795 -8.863 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.966 -8.367 -10.012 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.103 -8.655 -5.817 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.135 -9.741 -5.917 1.00 0.00 C ATOM 1241 C CYS A 85 -7.187 -10.391 -7.296 1.00 0.00 C ATOM 1242 O CYS A 85 -8.214 -10.920 -7.722 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.400 -10.790 -4.836 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.065 -12.014 -4.644 1.00 0.00 S ATOM 0 H CYS A 85 -8.952 -8.893 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.140 -9.321 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.554 -10.283 -3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.327 -11.313 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.243 -12.681 -3.542 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.054 -10.352 -8.012 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.944 -10.934 -9.354 1.00 0.00 C ATOM 1251 C PRO A 86 -5.993 -12.458 -9.331 1.00 0.00 C ATOM 1252 O PRO A 86 -5.776 -13.110 -10.351 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.576 -10.450 -9.839 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.796 -10.206 -8.593 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.791 -9.739 -7.567 1.00 0.00 C ATOM 0 HA PRO A 86 -6.771 -10.633 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.092 -11.197 -10.469 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.666 -9.541 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.293 -11.115 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.023 -9.455 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.517 -10.066 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.860 -8.652 -7.540 1.00 0.00 H new ATOM 1263 N SER A 87 -6.281 -13.018 -8.160 1.00 0.00 N ATOM 1264 CA SER A 87 -6.355 -14.466 -8.004 1.00 0.00 C ATOM 1265 C SER A 87 -7.803 -14.923 -7.856 1.00 0.00 C ATOM 1266 O SER A 87 -8.357 -15.568 -8.747 1.00 0.00 O ATOM 1267 CB SER A 87 -5.541 -14.912 -6.788 1.00 0.00 C ATOM 1268 OG SER A 87 -5.651 -16.310 -6.585 1.00 0.00 O ATOM 0 H SER A 87 -6.467 -12.491 -7.306 1.00 0.00 H new ATOM 0 HA SER A 87 -5.937 -14.925 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.494 -14.643 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.889 -14.384 -5.900 1.00 0.00 H new ATOM 0 HG SER A 87 -5.121 -16.570 -5.803 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.411 -14.583 -6.725 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.795 -14.958 -6.457 1.00 0.00 C ATOM 1276 C CYS A 88 -10.755 -13.878 -6.949 1.00 0.00 C ATOM 1277 O CYS A 88 -11.973 -14.058 -6.927 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.000 -15.195 -4.960 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.438 -13.821 -3.905 1.00 0.00 S ATOM 0 H CYS A 88 -7.967 -14.048 -5.978 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.007 -15.881 -6.996 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.059 -15.373 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.469 -16.102 -4.671 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.597 -14.269 -3.020 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.198 -12.756 -7.392 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.003 -11.647 -7.890 1.00 0.00 C ATOM 1286 C LYS A 89 -11.900 -11.088 -6.790 1.00 0.00 C ATOM 1287 O LYS A 89 -13.093 -10.868 -6.999 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.856 -12.103 -9.076 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.051 -12.379 -10.334 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.534 -11.094 -10.959 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.388 -11.365 -11.922 1.00 0.00 C ATOM 1292 NZ LYS A 89 -9.821 -12.192 -13.082 1.00 0.00 N ATOM 0 H LYS A 89 -9.192 -12.591 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.327 -10.858 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.399 -13.006 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.601 -11.338 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.211 -13.031 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.672 -12.911 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.345 -10.594 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.199 -10.416 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.984 -10.418 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.582 -11.875 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.029 -12.297 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.119 -13.130 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.618 -11.727 -13.562 1.00 0.00 H new ATOM 1306 N THR A 90 -11.317 -10.858 -5.618 1.00 0.00 N ATOM 1307 CA THR A 90 -12.063 -10.324 -4.485 1.00 0.00 C ATOM 1308 C THR A 90 -11.809 -8.831 -4.315 1.00 0.00 C ATOM 1309 O THR A 90 -10.671 -8.404 -4.112 1.00 0.00 O ATOM 1310 CB THR A 90 -11.694 -11.049 -3.177 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.030 -12.437 -3.275 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.418 -10.429 -1.992 1.00 0.00 C ATOM 0 H THR A 90 -10.330 -11.033 -5.428 1.00 0.00 H new ATOM 0 HA THR A 90 -13.120 -10.488 -4.696 1.00 0.00 H new ATOM 0 HB THR A 90 -10.620 -10.946 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.368 -12.895 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.142 -10.958 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.137 -9.380 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.495 -10.505 -2.143 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.874 -8.041 -4.397 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.765 -6.595 -4.250 1.00 0.00 C ATOM 1322 C ILE A 91 -12.767 -6.190 -2.779 1.00 0.00 C ATOM 1323 O ILE A 91 -13.446 -6.805 -1.957 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.914 -5.867 -4.972 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.145 -6.478 -6.356 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.611 -4.381 -5.088 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.563 -6.322 -6.857 1.00 0.00 C ATOM 0 H ILE A 91 -13.822 -8.378 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.818 -6.303 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.825 -5.987 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.464 -6.012 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.895 -7.538 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.433 -3.881 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.492 -3.955 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.691 -4.240 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.653 -6.778 -7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.249 -6.812 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.811 -5.263 -6.924 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.004 -5.152 -2.456 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.917 -4.665 -1.085 1.00 0.00 C ATOM 1341 C TYR A 92 -12.505 -3.262 -0.966 1.00 0.00 C ATOM 1342 O TYR A 92 -12.979 -2.863 0.096 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.462 -4.661 -0.614 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.841 -6.039 -0.555 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.796 -6.851 -1.681 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.301 -6.529 0.628 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.231 -8.111 -1.632 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.733 -7.787 0.686 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.700 -8.574 -0.446 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.136 -9.828 -0.391 1.00 0.00 O ATOM 0 H TYR A 92 -11.437 -4.632 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.496 -5.337 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.873 -4.035 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.410 -4.206 0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.210 -6.491 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.326 -5.916 1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.205 -8.730 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.317 -8.152 1.613 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.563 -10.408 -1.055 1.00 0.00 H new