USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 40 SER OG : rot -63:sc= 1.76 USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0.989 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 15 MET CE :methyl -166:sc= -0.337 (180deg=-1.32) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0121 (180deg=-0.174) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0.617 (180deg=0.612) USER MOD Single : A 21 HIS : no HD1:sc= 0.848 K(o=0.85,f=-2.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.211 USER MOD Single : A 23 SER OG : rot 1:sc= 0.138 USER MOD Single : A 25 ASN : amide:sc= -0.47 K(o=-0.47,f=-4) USER MOD Single : A 26 THR OG1 : rot -69:sc= 2.05 USER MOD Single : A 27 ASN : amide:sc= -0.322! X(o=-0.32!,f=-0.043) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 84:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.734 USER MOD Single : A 37 SER OG : rot 4:sc= 0.343 USER MOD Single : A 38 THR OG1 : rot -51:sc= 1.1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 46 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 47 MET CE :methyl -171:sc= 0 (180deg=-0.153) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0.844 (180deg=0.759) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.706 K(o=0.71,f=-3.9!) USER MOD Single : A 60 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= -0.0059 (180deg=-0.0905) USER MOD Single : A 68 TYR OH : rot 96:sc= 1.34 USER MOD Single : A 69 THR OG1 : rot -47:sc= 1.06 USER MOD Single : A 71 ASN : amide:sc= -0.751! C(o=-0.75!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 8.358 3.179 -6.160 1.00 0.00 N ATOM 134 CA SER A 8 8.800 2.456 -7.347 1.00 0.00 C ATOM 135 C SER A 8 7.591 1.796 -8.028 1.00 0.00 C ATOM 136 O SER A 8 6.464 1.883 -7.545 1.00 0.00 O ATOM 137 CB SER A 8 9.877 1.431 -6.966 1.00 0.00 C ATOM 138 OG SER A 8 10.387 0.798 -8.128 1.00 0.00 O ATOM 0 HA SER A 8 9.247 3.149 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.686 1.926 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.456 0.685 -6.292 1.00 0.00 H new ATOM 0 HG SER A 8 11.074 0.148 -7.872 1.00 0.00 H new ATOM 144 N ASP A 9 7.835 1.089 -9.133 1.00 0.00 N ATOM 145 CA ASP A 9 6.795 0.442 -9.927 1.00 0.00 C ATOM 146 C ASP A 9 5.996 -0.576 -9.108 1.00 0.00 C ATOM 147 O ASP A 9 4.789 -0.426 -8.933 1.00 0.00 O ATOM 148 CB ASP A 9 7.411 -0.206 -11.171 1.00 0.00 C ATOM 149 CG ASP A 9 6.352 -0.954 -11.979 1.00 0.00 C ATOM 150 OD1 ASP A 9 5.675 -0.282 -12.785 1.00 0.00 O ATOM 151 OD2 ASP A 9 6.238 -2.180 -11.764 1.00 0.00 O ATOM 0 H ASP A 9 8.775 0.949 -9.505 1.00 0.00 H new ATOM 0 HA ASP A 9 6.089 1.209 -10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.874 0.560 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.201 -0.896 -10.873 1.00 0.00 H new ATOM 156 N ALA A 10 6.673 -1.614 -8.605 1.00 0.00 N ATOM 157 CA ALA A 10 6.036 -2.678 -7.833 1.00 0.00 C ATOM 158 C ALA A 10 5.183 -2.093 -6.707 1.00 0.00 C ATOM 159 O ALA A 10 4.046 -2.506 -6.497 1.00 0.00 O ATOM 160 CB ALA A 10 7.102 -3.632 -7.288 1.00 0.00 C ATOM 0 H ALA A 10 7.679 -1.737 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 10 5.371 -3.243 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.622 -4.424 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.656 -4.071 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.788 -3.081 -6.645 1.00 0.00 H new ATOM 166 N GLU A 11 5.743 -1.117 -5.991 1.00 0.00 N ATOM 167 CA GLU A 11 5.046 -0.404 -4.936 1.00 0.00 C ATOM 168 C GLU A 11 3.788 0.261 -5.498 1.00 0.00 C ATOM 169 O GLU A 11 2.689 0.057 -4.984 1.00 0.00 O ATOM 170 CB GLU A 11 5.985 0.650 -4.345 1.00 0.00 C ATOM 171 CG GLU A 11 7.081 0.031 -3.473 1.00 0.00 C ATOM 172 CD GLU A 11 7.996 1.119 -2.922 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.677 1.753 -3.757 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.982 1.315 -1.688 1.00 0.00 O ATOM 0 H GLU A 11 6.702 -0.801 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 11 4.746 -1.102 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.445 1.217 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.406 1.356 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.630 -0.525 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.663 -0.681 -4.059 1.00 0.00 H new ATOM 181 N LEU A 12 3.951 1.064 -6.552 1.00 0.00 N ATOM 182 CA LEU A 12 2.854 1.788 -7.169 1.00 0.00 C ATOM 183 C LEU A 12 1.698 0.851 -7.501 1.00 0.00 C ATOM 184 O LEU A 12 0.548 1.224 -7.286 1.00 0.00 O ATOM 185 CB LEU A 12 3.335 2.553 -8.406 1.00 0.00 C ATOM 186 CG LEU A 12 2.242 3.419 -9.049 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.846 4.580 -8.127 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.765 3.955 -10.385 1.00 0.00 C ATOM 0 H LEU A 12 4.854 1.226 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 12 2.482 2.521 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.175 3.189 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.705 1.841 -9.144 1.00 0.00 H new ATOM 0 HG LEU A 12 1.352 2.812 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.071 5.177 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.468 4.184 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.718 5.205 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.999 4.573 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.659 4.555 -10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.010 3.120 -11.041 1.00 0.00 H new ATOM 200 N GLU A 13 1.977 -0.356 -8.005 1.00 0.00 N ATOM 201 CA GLU A 13 0.916 -1.312 -8.282 1.00 0.00 C ATOM 202 C GLU A 13 0.047 -1.531 -7.040 1.00 0.00 C ATOM 203 O GLU A 13 -1.177 -1.459 -7.131 1.00 0.00 O ATOM 204 CB GLU A 13 1.501 -2.644 -8.763 1.00 0.00 C ATOM 205 CG GLU A 13 2.276 -2.512 -10.081 1.00 0.00 C ATOM 206 CD GLU A 13 1.381 -2.064 -11.232 1.00 0.00 C ATOM 207 OE1 GLU A 13 0.628 -2.926 -11.733 1.00 0.00 O ATOM 208 OE2 GLU A 13 1.454 -0.865 -11.580 1.00 0.00 O ATOM 0 H GLU A 13 2.917 -0.685 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 13 0.289 -0.903 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.164 -3.043 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.694 -3.365 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.087 -1.795 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.733 -3.470 -10.330 1.00 0.00 H new ATOM 215 N VAL A 14 0.658 -1.780 -5.877 1.00 0.00 N ATOM 216 CA VAL A 14 -0.118 -2.025 -4.665 1.00 0.00 C ATOM 217 C VAL A 14 -0.912 -0.776 -4.296 1.00 0.00 C ATOM 218 O VAL A 14 -2.100 -0.872 -3.997 1.00 0.00 O ATOM 219 CB VAL A 14 0.720 -2.601 -3.501 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.932 -3.387 -4.008 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.177 -1.591 -2.440 1.00 0.00 C ATOM 0 H VAL A 14 1.670 -1.816 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.834 -2.819 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 14 0.018 -3.265 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.495 -3.775 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.594 -4.216 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.571 -2.730 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.756 -2.106 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.795 -0.825 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.305 -1.123 -1.983 1.00 0.00 H new ATOM 231 N MET A 15 -0.271 0.396 -4.342 1.00 0.00 N ATOM 232 CA MET A 15 -0.933 1.649 -4.029 1.00 0.00 C ATOM 233 C MET A 15 -2.174 1.829 -4.903 1.00 0.00 C ATOM 234 O MET A 15 -3.267 2.056 -4.392 1.00 0.00 O ATOM 235 CB MET A 15 0.056 2.787 -4.243 1.00 0.00 C ATOM 236 CG MET A 15 1.283 2.654 -3.341 1.00 0.00 C ATOM 237 SD MET A 15 1.043 2.989 -1.574 1.00 0.00 S ATOM 238 CE MET A 15 0.179 4.574 -1.617 1.00 0.00 C ATOM 0 H MET A 15 0.712 0.494 -4.596 1.00 0.00 H new ATOM 0 HA MET A 15 -1.262 1.647 -2.990 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.372 2.802 -5.286 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.438 3.739 -4.046 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.672 1.641 -3.444 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.053 3.330 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.187 5.020 -0.622 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.679 5.242 -2.318 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.851 4.418 -1.937 1.00 0.00 H new ATOM 248 N LYS A 16 -2.005 1.714 -6.222 1.00 0.00 N ATOM 249 CA LYS A 16 -3.086 1.825 -7.185 1.00 0.00 C ATOM 250 C LYS A 16 -4.158 0.778 -6.911 1.00 0.00 C ATOM 251 O LYS A 16 -5.334 1.127 -6.925 1.00 0.00 O ATOM 252 CB LYS A 16 -2.538 1.778 -8.613 1.00 0.00 C ATOM 253 CG LYS A 16 -1.767 3.067 -8.931 1.00 0.00 C ATOM 254 CD LYS A 16 -1.276 3.109 -10.386 1.00 0.00 C ATOM 255 CE LYS A 16 -2.407 3.225 -11.418 1.00 0.00 C ATOM 256 NZ LYS A 16 -3.239 4.423 -11.202 1.00 0.00 N ATOM 0 H LYS A 16 -1.096 1.538 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.573 2.794 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.882 0.916 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.358 1.653 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.409 3.928 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.913 3.152 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.598 3.954 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.700 2.207 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.980 3.258 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.035 2.335 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.866 4.562 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.812 4.297 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.626 5.256 -11.090 1.00 0.00 H new ATOM 270 N VAL A 17 -3.791 -0.480 -6.647 1.00 0.00 N ATOM 271 CA VAL A 17 -4.782 -1.497 -6.319 1.00 0.00 C ATOM 272 C VAL A 17 -5.603 -1.030 -5.110 1.00 0.00 C ATOM 273 O VAL A 17 -6.828 -0.951 -5.200 1.00 0.00 O ATOM 274 CB VAL A 17 -4.102 -2.864 -6.120 1.00 0.00 C ATOM 275 CG1 VAL A 17 -5.027 -3.875 -5.435 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.704 -3.443 -7.486 1.00 0.00 C ATOM 0 H VAL A 17 -2.826 -0.811 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.481 -1.633 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.230 -2.699 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.504 -4.824 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.319 -3.496 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.917 -4.025 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.223 -4.411 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.595 -3.567 -8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.012 -2.762 -7.982 1.00 0.00 H new ATOM 286 N ILE A 18 -4.939 -0.679 -4.002 1.00 0.00 N ATOM 287 CA ILE A 18 -5.613 -0.193 -2.800 1.00 0.00 C ATOM 288 C ILE A 18 -6.551 0.960 -3.172 1.00 0.00 C ATOM 289 O ILE A 18 -7.728 0.928 -2.826 1.00 0.00 O ATOM 290 CB ILE A 18 -4.596 0.236 -1.721 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.740 -0.950 -1.237 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.333 0.854 -0.520 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.426 -0.492 -0.602 1.00 0.00 C ATOM 0 H ILE A 18 -3.924 -0.725 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.203 -1.004 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.932 0.973 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.308 -1.534 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.525 -1.608 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.608 1.154 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.897 1.727 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.017 0.119 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.857 -1.362 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.844 0.069 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.639 0.144 0.257 1.00 0.00 H new ATOM 305 N TRP A 19 -6.036 1.957 -3.898 1.00 0.00 N ATOM 306 CA TRP A 19 -6.736 3.146 -4.327 1.00 0.00 C ATOM 307 C TRP A 19 -8.027 2.867 -5.114 1.00 0.00 C ATOM 308 O TRP A 19 -8.856 3.769 -5.216 1.00 0.00 O ATOM 309 CB TRP A 19 -5.718 4.015 -5.091 1.00 0.00 C ATOM 310 CG TRP A 19 -4.834 4.940 -4.290 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.198 5.603 -3.166 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.447 5.349 -4.544 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.137 6.339 -2.683 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.032 6.209 -3.490 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.501 5.126 -5.570 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.746 6.758 -3.424 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.212 5.688 -5.530 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.818 6.486 -4.440 1.00 0.00 C ATOM 0 H TRP A 19 -5.066 1.944 -4.213 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.110 3.685 -3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.073 3.348 -5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.269 4.620 -5.811 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.178 5.561 -2.714 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.168 6.907 -1.836 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.776 4.505 -6.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.469 7.389 -2.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.521 5.506 -6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.185 6.883 -4.386 1.00 0.00 H new ATOM 329 N LYS A 20 -8.233 1.666 -5.676 1.00 0.00 N ATOM 330 CA LYS A 20 -9.507 1.354 -6.328 1.00 0.00 C ATOM 331 C LYS A 20 -10.593 1.081 -5.282 1.00 0.00 C ATOM 332 O LYS A 20 -11.773 1.304 -5.545 1.00 0.00 O ATOM 333 CB LYS A 20 -9.380 0.155 -7.281 1.00 0.00 C ATOM 334 CG LYS A 20 -8.298 0.324 -8.354 1.00 0.00 C ATOM 335 CD LYS A 20 -8.527 1.533 -9.276 1.00 0.00 C ATOM 336 CE LYS A 20 -7.325 1.763 -10.199 1.00 0.00 C ATOM 337 NZ LYS A 20 -6.178 2.324 -9.460 1.00 0.00 N ATOM 0 H LYS A 20 -7.547 0.911 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.791 2.224 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.162 -0.739 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.340 -0.011 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.328 0.428 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.255 -0.581 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.423 1.372 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.702 2.425 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.035 0.820 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.607 2.441 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.365 2.420 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.433 3.258 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.926 1.689 -8.676 1.00 0.00 H new ATOM 351 N HIS A 21 -10.202 0.568 -4.113 1.00 0.00 N ATOM 352 CA HIS A 21 -11.101 0.268 -3.010 1.00 0.00 C ATOM 353 C HIS A 21 -11.146 1.475 -2.064 1.00 0.00 C ATOM 354 O HIS A 21 -10.342 2.396 -2.196 1.00 0.00 O ATOM 355 CB HIS A 21 -10.595 -0.994 -2.302 1.00 0.00 C ATOM 356 CG HIS A 21 -10.568 -2.222 -3.175 1.00 0.00 C ATOM 357 ND1 HIS A 21 -11.692 -3.035 -3.311 1.00 0.00 N ATOM 358 CD2 HIS A 21 -9.539 -2.767 -3.898 1.00 0.00 C ATOM 359 CE1 HIS A 21 -11.297 -4.038 -4.099 1.00 0.00 C ATOM 360 NE2 HIS A 21 -10.011 -3.934 -4.467 1.00 0.00 N ATOM 0 H HIS A 21 -9.228 0.347 -3.908 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.115 0.081 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.589 -0.807 -1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.228 -1.191 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.544 -2.360 -4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.943 -4.846 -4.407 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.487 -4.586 -5.050 1.00 0.00 H new ATOM 368 N SER A 22 -12.085 1.505 -1.110 1.00 0.00 N ATOM 369 CA SER A 22 -12.159 2.594 -0.143 1.00 0.00 C ATOM 370 C SER A 22 -10.933 2.472 0.760 1.00 0.00 C ATOM 371 O SER A 22 -10.132 3.394 0.903 1.00 0.00 O ATOM 372 CB SER A 22 -13.458 2.420 0.649 1.00 0.00 C ATOM 373 OG SER A 22 -13.648 1.040 0.929 1.00 0.00 O ATOM 0 H SER A 22 -12.800 0.787 -0.992 1.00 0.00 H new ATOM 0 HA SER A 22 -12.164 3.579 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.412 2.990 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.302 2.808 0.078 1.00 0.00 H new ATOM 0 HG SER A 22 -14.477 0.921 1.438 1.00 0.00 H new ATOM 379 N SER A 23 -10.822 1.335 1.440 1.00 0.00 N ATOM 380 CA SER A 23 -9.554 0.882 1.982 1.00 0.00 C ATOM 381 C SER A 23 -9.453 -0.590 1.566 1.00 0.00 C ATOM 382 O SER A 23 -10.213 -0.998 0.691 1.00 0.00 O ATOM 383 CB SER A 23 -9.587 1.156 3.486 1.00 0.00 C ATOM 384 OG SER A 23 -9.632 2.561 3.669 1.00 0.00 O ATOM 0 H SER A 23 -11.605 0.709 1.628 1.00 0.00 H new ATOM 0 HA SER A 23 -8.660 1.388 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.457 0.683 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.706 0.736 3.970 1.00 0.00 H new ATOM 0 HG SER A 23 -9.651 3.004 2.795 1.00 0.00 H new ATOM 390 N ILE A 24 -8.660 -1.436 2.226 1.00 0.00 N ATOM 391 CA ILE A 24 -8.677 -2.872 1.939 1.00 0.00 C ATOM 392 C ILE A 24 -8.264 -3.665 3.181 1.00 0.00 C ATOM 393 O ILE A 24 -7.395 -3.185 3.909 1.00 0.00 O ATOM 394 CB ILE A 24 -7.889 -3.162 0.652 1.00 0.00 C ATOM 395 CG1 ILE A 24 -8.039 -4.626 0.220 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.419 -2.774 0.800 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.690 -4.844 -1.256 1.00 0.00 C ATOM 0 H ILE A 24 -8.004 -1.156 2.955 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.687 -3.220 1.723 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.315 -2.543 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.394 -5.251 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.064 -4.950 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.890 -2.992 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.344 -1.709 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.972 -3.344 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.814 -5.897 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.352 -4.242 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.656 -4.548 -1.433 1.00 0.00 H new ATOM 409 N ASN A 25 -8.836 -4.852 3.434 1.00 0.00 N ATOM 410 CA ASN A 25 -8.451 -5.670 4.590 1.00 0.00 C ATOM 411 C ASN A 25 -7.228 -6.514 4.223 1.00 0.00 C ATOM 412 O ASN A 25 -7.041 -6.835 3.052 1.00 0.00 O ATOM 413 CB ASN A 25 -9.588 -6.570 5.105 1.00 0.00 C ATOM 414 CG ASN A 25 -10.888 -5.883 5.528 1.00 0.00 C ATOM 415 OD1 ASN A 25 -11.223 -5.866 6.706 1.00 0.00 O ATOM 416 ND2 ASN A 25 -11.658 -5.344 4.589 1.00 0.00 N ATOM 0 H ASN A 25 -9.566 -5.265 2.853 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.213 -4.988 5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.826 -7.293 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.212 -7.135 5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.544 -4.907 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.364 -5.367 3.613 1.00 0.00 H new ATOM 423 N THR A 26 -6.404 -6.909 5.198 1.00 0.00 N ATOM 424 CA THR A 26 -5.187 -7.677 4.951 1.00 0.00 C ATOM 425 C THR A 26 -5.404 -8.856 3.997 1.00 0.00 C ATOM 426 O THR A 26 -4.751 -8.951 2.960 1.00 0.00 O ATOM 427 CB THR A 26 -4.549 -8.144 6.275 1.00 0.00 C ATOM 428 OG1 THR A 26 -5.244 -7.630 7.393 1.00 0.00 O ATOM 429 CG2 THR A 26 -3.102 -7.661 6.356 1.00 0.00 C ATOM 0 H THR A 26 -6.566 -6.703 6.184 1.00 0.00 H new ATOM 0 HA THR A 26 -4.493 -7.002 4.450 1.00 0.00 H new ATOM 0 HB THR A 26 -4.595 -9.233 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.100 -6.662 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.659 -7.995 7.294 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.534 -8.071 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.079 -6.572 6.311 1.00 0.00 H new ATOM 437 N ASN A 27 -6.337 -9.750 4.331 1.00 0.00 N ATOM 438 CA ASN A 27 -6.617 -10.921 3.505 1.00 0.00 C ATOM 439 C ASN A 27 -6.938 -10.506 2.066 1.00 0.00 C ATOM 440 O ASN A 27 -6.522 -11.175 1.120 1.00 0.00 O ATOM 441 CB ASN A 27 -7.779 -11.721 4.113 1.00 0.00 C ATOM 442 CG ASN A 27 -7.873 -13.168 3.619 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.186 -14.057 4.401 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.615 -13.452 2.344 1.00 0.00 N ATOM 0 H ASN A 27 -6.912 -9.683 5.171 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.730 -11.554 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.673 -11.726 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.715 -11.210 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.678 -14.415 2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.355 -12.707 1.698 1.00 0.00 H new ATOM 451 N GLU A 28 -7.691 -9.415 1.908 1.00 0.00 N ATOM 452 CA GLU A 28 -8.085 -8.916 0.606 1.00 0.00 C ATOM 453 C GLU A 28 -6.846 -8.411 -0.130 1.00 0.00 C ATOM 454 O GLU A 28 -6.649 -8.759 -1.289 1.00 0.00 O ATOM 455 CB GLU A 28 -9.131 -7.807 0.770 1.00 0.00 C ATOM 456 CG GLU A 28 -10.431 -8.299 1.411 1.00 0.00 C ATOM 457 CD GLU A 28 -11.422 -7.152 1.591 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.962 -6.067 2.017 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.618 -7.378 1.313 1.00 0.00 O ATOM 0 H GLU A 28 -8.041 -8.857 2.687 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.536 -9.714 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.712 -7.007 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.354 -7.378 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.877 -9.075 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.215 -8.752 2.378 1.00 0.00 H new ATOM 466 N VAL A 29 -6.007 -7.609 0.535 1.00 0.00 N ATOM 467 CA VAL A 29 -4.815 -7.051 -0.089 1.00 0.00 C ATOM 468 C VAL A 29 -3.895 -8.172 -0.572 1.00 0.00 C ATOM 469 O VAL A 29 -3.490 -8.174 -1.734 1.00 0.00 O ATOM 470 CB VAL A 29 -4.128 -6.007 0.827 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.889 -6.493 1.590 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.670 -4.798 0.003 1.00 0.00 C ATOM 0 H VAL A 29 -6.137 -7.334 1.509 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.102 -6.491 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.899 -5.772 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.493 -5.679 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.163 -7.327 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.129 -6.818 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.189 -4.072 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.962 -5.124 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.533 -4.337 -0.477 1.00 0.00 H new ATOM 482 N ILE A 30 -3.586 -9.138 0.302 1.00 0.00 N ATOM 483 CA ILE A 30 -2.707 -10.236 -0.069 1.00 0.00 C ATOM 484 C ILE A 30 -3.289 -10.990 -1.264 1.00 0.00 C ATOM 485 O ILE A 30 -2.572 -11.200 -2.239 1.00 0.00 O ATOM 486 CB ILE A 30 -2.367 -11.132 1.140 1.00 0.00 C ATOM 487 CG1 ILE A 30 -1.684 -10.260 2.215 1.00 0.00 C ATOM 488 CG2 ILE A 30 -1.450 -12.286 0.699 1.00 0.00 C ATOM 489 CD1 ILE A 30 -0.889 -11.031 3.272 1.00 0.00 C ATOM 0 H ILE A 30 -3.932 -9.176 1.261 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.746 -9.835 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.274 -11.571 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.013 -9.559 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.448 -9.668 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.215 -12.913 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.956 -12.884 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.528 -11.880 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.449 -10.329 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.554 -11.712 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.097 -11.602 2.787 1.00 0.00 H new ATOM 501 N LYS A 31 -4.568 -11.379 -1.228 1.00 0.00 N ATOM 502 CA LYS A 31 -5.162 -12.082 -2.360 1.00 0.00 C ATOM 503 C LYS A 31 -5.110 -11.234 -3.637 1.00 0.00 C ATOM 504 O LYS A 31 -4.643 -11.710 -4.672 1.00 0.00 O ATOM 505 CB LYS A 31 -6.597 -12.511 -2.030 1.00 0.00 C ATOM 506 CG LYS A 31 -6.648 -13.661 -1.011 1.00 0.00 C ATOM 507 CD LYS A 31 -6.011 -14.979 -1.482 1.00 0.00 C ATOM 508 CE LYS A 31 -6.590 -15.483 -2.810 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.088 -16.829 -3.136 1.00 0.00 N ATOM 0 H LYS A 31 -5.198 -11.221 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.574 -12.980 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.147 -11.656 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.100 -12.819 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.147 -13.339 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.690 -13.851 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.936 -14.838 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.157 -15.741 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.678 -15.503 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.327 -14.791 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.497 -17.143 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.051 -16.803 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.361 -17.493 -2.383 1.00 0.00 H new ATOM 523 N GLU A 32 -5.581 -9.987 -3.567 1.00 0.00 N ATOM 524 CA GLU A 32 -5.622 -9.070 -4.698 1.00 0.00 C ATOM 525 C GLU A 32 -4.241 -8.966 -5.351 1.00 0.00 C ATOM 526 O GLU A 32 -4.104 -9.134 -6.567 1.00 0.00 O ATOM 527 CB GLU A 32 -6.151 -7.701 -4.239 1.00 0.00 C ATOM 528 CG GLU A 32 -6.698 -6.836 -5.368 1.00 0.00 C ATOM 529 CD GLU A 32 -8.129 -7.182 -5.782 1.00 0.00 C ATOM 530 OE1 GLU A 32 -8.338 -8.315 -6.266 1.00 0.00 O ATOM 531 OE2 GLU A 32 -8.991 -6.293 -5.604 1.00 0.00 O ATOM 0 H GLU A 32 -5.950 -9.583 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.306 -9.454 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.938 -7.856 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.347 -7.161 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.663 -5.791 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.046 -6.935 -6.236 1.00 0.00 H new ATOM 538 N LEU A 33 -3.207 -8.695 -4.547 1.00 0.00 N ATOM 539 CA LEU A 33 -1.867 -8.617 -5.099 1.00 0.00 C ATOM 540 C LEU A 33 -1.426 -9.981 -5.613 1.00 0.00 C ATOM 541 O LEU A 33 -0.918 -10.051 -6.723 1.00 0.00 O ATOM 542 CB LEU A 33 -0.847 -7.987 -4.142 1.00 0.00 C ATOM 543 CG LEU A 33 -0.806 -6.445 -4.182 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.711 -5.883 -5.609 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.998 -5.822 -3.454 1.00 0.00 C ATOM 0 H LEU A 33 -3.275 -8.532 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.907 -7.932 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.075 -8.306 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.144 -8.371 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 33 0.108 -6.167 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.686 -4.794 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.198 -6.250 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.578 -6.206 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.929 -4.735 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.924 -6.150 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.991 -6.136 -2.410 1.00 0.00 H new ATOM 557 N SER A 34 -1.652 -11.070 -4.875 1.00 0.00 N ATOM 558 CA SER A 34 -1.254 -12.392 -5.345 1.00 0.00 C ATOM 559 C SER A 34 -1.803 -12.679 -6.749 1.00 0.00 C ATOM 560 O SER A 34 -1.096 -13.231 -7.591 1.00 0.00 O ATOM 561 CB SER A 34 -1.685 -13.488 -4.365 1.00 0.00 C ATOM 562 OG SER A 34 -1.078 -13.298 -3.103 1.00 0.00 O ATOM 0 H SER A 34 -2.103 -11.061 -3.960 1.00 0.00 H new ATOM 0 HA SER A 34 -0.165 -12.397 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.770 -13.480 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.411 -14.466 -4.762 1.00 0.00 H new ATOM 0 HG SER A 34 -1.608 -12.663 -2.578 1.00 0.00 H new ATOM 568 N LYS A 35 -3.065 -12.313 -6.995 1.00 0.00 N ATOM 569 CA LYS A 35 -3.693 -12.497 -8.295 1.00 0.00 C ATOM 570 C LYS A 35 -3.046 -11.610 -9.366 1.00 0.00 C ATOM 571 O LYS A 35 -2.728 -12.089 -10.451 1.00 0.00 O ATOM 572 CB LYS A 35 -5.193 -12.184 -8.200 1.00 0.00 C ATOM 573 CG LYS A 35 -5.948 -13.246 -7.388 1.00 0.00 C ATOM 574 CD LYS A 35 -7.459 -12.972 -7.337 1.00 0.00 C ATOM 575 CE LYS A 35 -7.788 -11.665 -6.604 1.00 0.00 C ATOM 576 NZ LYS A 35 -9.240 -11.477 -6.445 1.00 0.00 N ATOM 0 H LYS A 35 -3.673 -11.883 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.551 -13.537 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.332 -11.207 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.616 -12.125 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.773 -14.228 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.551 -13.275 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.852 -12.926 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.960 -13.802 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.313 -11.669 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.371 -10.823 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.422 -10.583 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.691 -11.448 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.634 -12.267 -5.895 1.00 0.00 H new ATOM 590 N THR A 36 -2.879 -10.316 -9.082 1.00 0.00 N ATOM 591 CA THR A 36 -2.379 -9.363 -10.072 1.00 0.00 C ATOM 592 C THR A 36 -0.876 -9.516 -10.346 1.00 0.00 C ATOM 593 O THR A 36 -0.437 -9.431 -11.492 1.00 0.00 O ATOM 594 CB THR A 36 -2.777 -7.937 -9.668 1.00 0.00 C ATOM 595 OG1 THR A 36 -2.459 -7.692 -8.316 1.00 0.00 O ATOM 596 CG2 THR A 36 -4.284 -7.727 -9.844 1.00 0.00 C ATOM 0 H THR A 36 -3.084 -9.905 -8.171 1.00 0.00 H new ATOM 0 HA THR A 36 -2.853 -9.586 -11.028 1.00 0.00 H new ATOM 0 HB THR A 36 -2.224 -7.252 -10.311 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.142 -8.096 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.546 -6.710 -9.552 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.554 -7.886 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.826 -8.435 -9.217 1.00 0.00 H new ATOM 604 N SER A 37 -0.060 -9.668 -9.307 1.00 0.00 N ATOM 605 CA SER A 37 1.369 -9.927 -9.399 1.00 0.00 C ATOM 606 C SER A 37 1.747 -10.820 -8.217 1.00 0.00 C ATOM 607 O SER A 37 1.865 -10.345 -7.089 1.00 0.00 O ATOM 608 CB SER A 37 2.123 -8.596 -9.396 1.00 0.00 C ATOM 609 OG SER A 37 1.817 -7.884 -10.581 1.00 0.00 O ATOM 0 H SER A 37 -0.390 -9.612 -8.344 1.00 0.00 H new ATOM 0 HA SER A 37 1.636 -10.439 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.843 -8.008 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.197 -8.773 -9.331 1.00 0.00 H new ATOM 0 HG SER A 37 1.146 -8.379 -11.096 1.00 0.00 H new ATOM 615 N THR A 38 1.993 -12.102 -8.492 1.00 0.00 N ATOM 616 CA THR A 38 2.204 -13.146 -7.503 1.00 0.00 C ATOM 617 C THR A 38 3.523 -13.070 -6.724 1.00 0.00 C ATOM 618 O THR A 38 4.339 -13.988 -6.778 1.00 0.00 O ATOM 619 CB THR A 38 1.983 -14.496 -8.204 1.00 0.00 C ATOM 620 OG1 THR A 38 0.934 -14.344 -9.144 1.00 0.00 O ATOM 621 CG2 THR A 38 1.602 -15.606 -7.219 1.00 0.00 C ATOM 0 H THR A 38 2.052 -12.449 -9.449 1.00 0.00 H new ATOM 0 HA THR A 38 1.477 -13.005 -6.703 1.00 0.00 H new ATOM 0 HB THR A 38 2.917 -14.785 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.157 -13.940 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.456 -16.540 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.400 -15.732 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.678 -15.337 -6.707 1.00 0.00 H new ATOM 629 N TRP A 39 3.727 -11.987 -5.975 1.00 0.00 N ATOM 630 CA TRP A 39 4.833 -11.866 -5.044 1.00 0.00 C ATOM 631 C TRP A 39 4.461 -12.671 -3.791 1.00 0.00 C ATOM 632 O TRP A 39 3.278 -12.904 -3.537 1.00 0.00 O ATOM 633 CB TRP A 39 5.058 -10.388 -4.724 1.00 0.00 C ATOM 634 CG TRP A 39 5.357 -9.495 -5.891 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.400 -9.638 -6.738 1.00 0.00 C ATOM 636 CD2 TRP A 39 4.652 -8.295 -6.331 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.400 -8.614 -7.663 1.00 0.00 N ATOM 638 CE2 TRP A 39 5.349 -7.747 -7.448 1.00 0.00 C ATOM 639 CE3 TRP A 39 3.496 -7.609 -5.900 1.00 0.00 C ATOM 640 CZ2 TRP A 39 4.931 -6.574 -8.093 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.084 -6.416 -6.521 1.00 0.00 C ATOM 642 CH2 TRP A 39 3.796 -5.900 -7.618 1.00 0.00 C ATOM 0 H TRP A 39 3.121 -11.167 -6.002 1.00 0.00 H new ATOM 0 HA TRP A 39 5.762 -12.255 -5.460 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.169 -10.008 -4.221 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.883 -10.313 -4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.127 -10.436 -6.697 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.088 -8.512 -8.409 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.918 -8.007 -5.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.476 -6.194 -8.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.214 -5.893 -6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.470 -4.987 -8.094 1.00 0.00 H new ATOM 653 N SER A 40 5.441 -13.120 -3.001 1.00 0.00 N ATOM 654 CA SER A 40 5.124 -13.931 -1.828 1.00 0.00 C ATOM 655 C SER A 40 4.383 -13.096 -0.775 1.00 0.00 C ATOM 656 O SER A 40 4.611 -11.888 -0.705 1.00 0.00 O ATOM 657 CB SER A 40 6.402 -14.528 -1.225 1.00 0.00 C ATOM 658 OG SER A 40 7.130 -13.550 -0.506 1.00 0.00 O ATOM 0 H SER A 40 6.434 -12.941 -3.148 1.00 0.00 H new ATOM 0 HA SER A 40 4.473 -14.746 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.144 -15.354 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.025 -14.939 -2.019 1.00 0.00 H new ATOM 0 HG SER A 40 7.423 -12.844 -1.119 1.00 0.00 H new ATOM 664 N PRO A 41 3.542 -13.700 0.081 1.00 0.00 N ATOM 665 CA PRO A 41 2.906 -12.993 1.184 1.00 0.00 C ATOM 666 C PRO A 41 3.932 -12.227 2.029 1.00 0.00 C ATOM 667 O PRO A 41 3.637 -11.148 2.542 1.00 0.00 O ATOM 668 CB PRO A 41 2.189 -14.070 2.001 1.00 0.00 C ATOM 669 CG PRO A 41 1.837 -15.108 0.937 1.00 0.00 C ATOM 670 CD PRO A 41 3.052 -15.068 0.009 1.00 0.00 C ATOM 0 HA PRO A 41 2.208 -12.237 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.831 -14.486 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.301 -13.679 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.691 -16.098 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.918 -14.852 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.815 -15.777 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.777 -15.335 -1.011 1.00 0.00 H new ATOM 678 N LYS A 42 5.134 -12.791 2.201 1.00 0.00 N ATOM 679 CA LYS A 42 6.217 -12.130 2.912 1.00 0.00 C ATOM 680 C LYS A 42 6.572 -10.841 2.166 1.00 0.00 C ATOM 681 O LYS A 42 6.646 -9.776 2.776 1.00 0.00 O ATOM 682 CB LYS A 42 7.415 -13.081 3.039 1.00 0.00 C ATOM 683 CG LYS A 42 8.512 -12.490 3.937 1.00 0.00 C ATOM 684 CD LYS A 42 9.769 -13.370 3.980 1.00 0.00 C ATOM 685 CE LYS A 42 9.510 -14.736 4.629 1.00 0.00 C ATOM 686 NZ LYS A 42 10.761 -15.497 4.789 1.00 0.00 N ATOM 0 H LYS A 42 5.375 -13.717 1.849 1.00 0.00 H new ATOM 0 HA LYS A 42 5.913 -11.867 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.082 -14.034 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.825 -13.286 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.779 -11.497 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.123 -12.367 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.139 -13.518 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.552 -12.852 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.040 -14.596 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.811 -15.306 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.554 -16.416 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.196 -15.651 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.418 -14.963 5.393 1.00 0.00 H new ATOM 700 N THR A 43 6.784 -10.930 0.849 1.00 0.00 N ATOM 701 CA THR A 43 7.063 -9.768 0.019 1.00 0.00 C ATOM 702 C THR A 43 5.950 -8.729 0.191 1.00 0.00 C ATOM 703 O THR A 43 6.242 -7.566 0.459 1.00 0.00 O ATOM 704 CB THR A 43 7.225 -10.189 -1.450 1.00 0.00 C ATOM 705 OG1 THR A 43 8.125 -11.275 -1.552 1.00 0.00 O ATOM 706 CG2 THR A 43 7.744 -9.042 -2.322 1.00 0.00 C ATOM 0 H THR A 43 6.766 -11.811 0.335 1.00 0.00 H new ATOM 0 HA THR A 43 8.002 -9.312 0.335 1.00 0.00 H new ATOM 0 HB THR A 43 6.237 -10.479 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.219 -11.535 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.843 -9.384 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.042 -8.209 -2.283 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.716 -8.715 -1.953 1.00 0.00 H new ATOM 714 N ILE A 44 4.683 -9.142 0.065 1.00 0.00 N ATOM 715 CA ILE A 44 3.541 -8.244 0.221 1.00 0.00 C ATOM 716 C ILE A 44 3.626 -7.510 1.564 1.00 0.00 C ATOM 717 O ILE A 44 3.592 -6.280 1.609 1.00 0.00 O ATOM 718 CB ILE A 44 2.209 -9.005 0.058 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.056 -9.701 -1.305 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.025 -8.055 0.276 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.223 -8.761 -2.496 1.00 0.00 C ATOM 0 H ILE A 44 4.425 -10.106 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 44 3.572 -7.495 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 44 2.219 -9.789 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.792 -10.501 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.072 -10.167 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.091 -8.605 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.075 -7.636 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.066 -7.248 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.102 -9.322 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.470 -7.975 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.217 -8.314 -2.470 1.00 0.00 H new ATOM 733 N GLN A 45 3.754 -8.261 2.659 1.00 0.00 N ATOM 734 CA GLN A 45 3.873 -7.690 3.994 1.00 0.00 C ATOM 735 C GLN A 45 5.055 -6.718 4.075 1.00 0.00 C ATOM 736 O GLN A 45 4.919 -5.628 4.628 1.00 0.00 O ATOM 737 CB GLN A 45 3.977 -8.817 5.024 1.00 0.00 C ATOM 738 CG GLN A 45 2.610 -9.493 5.195 1.00 0.00 C ATOM 739 CD GLN A 45 2.733 -10.806 5.954 1.00 0.00 C ATOM 740 OE1 GLN A 45 2.366 -10.906 7.119 1.00 0.00 O ATOM 741 NE2 GLN A 45 3.252 -11.828 5.284 1.00 0.00 N ATOM 0 H GLN A 45 3.778 -9.281 2.641 1.00 0.00 H new ATOM 0 HA GLN A 45 2.980 -7.107 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.717 -9.549 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.318 -8.418 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.935 -8.824 5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.168 -9.677 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.546 -11.706 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.357 -12.735 5.738 1.00 0.00 H new ATOM 750 N THR A 46 6.206 -7.095 3.513 1.00 0.00 N ATOM 751 CA THR A 46 7.387 -6.240 3.501 1.00 0.00 C ATOM 752 C THR A 46 7.072 -4.921 2.787 1.00 0.00 C ATOM 753 O THR A 46 7.384 -3.848 3.303 1.00 0.00 O ATOM 754 CB THR A 46 8.576 -6.976 2.862 1.00 0.00 C ATOM 755 OG1 THR A 46 8.787 -8.212 3.515 1.00 0.00 O ATOM 756 CG2 THR A 46 9.869 -6.163 2.979 1.00 0.00 C ATOM 0 H THR A 46 6.342 -7.997 3.057 1.00 0.00 H new ATOM 0 HA THR A 46 7.671 -6.000 4.526 1.00 0.00 H new ATOM 0 HB THR A 46 8.333 -7.125 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.149 -8.874 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.688 -6.714 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.744 -5.206 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.096 -5.990 4.031 1.00 0.00 H new ATOM 764 N MET A 47 6.451 -4.991 1.605 1.00 0.00 N ATOM 765 CA MET A 47 6.072 -3.808 0.845 1.00 0.00 C ATOM 766 C MET A 47 5.146 -2.934 1.695 1.00 0.00 C ATOM 767 O MET A 47 5.423 -1.755 1.890 1.00 0.00 O ATOM 768 CB MET A 47 5.414 -4.207 -0.483 1.00 0.00 C ATOM 769 CG MET A 47 6.415 -4.860 -1.446 1.00 0.00 C ATOM 770 SD MET A 47 5.671 -5.649 -2.898 1.00 0.00 S ATOM 771 CE MET A 47 5.352 -4.193 -3.912 1.00 0.00 C ATOM 0 H MET A 47 6.200 -5.871 1.154 1.00 0.00 H new ATOM 0 HA MET A 47 6.963 -3.230 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.594 -4.898 -0.288 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.981 -3.324 -0.953 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.120 -4.101 -1.784 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.989 -5.607 -0.899 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.750 -4.476 -4.776 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.814 -3.450 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.298 -3.771 -4.251 1.00 0.00 H new ATOM 781 N LEU A 48 4.062 -3.511 2.220 1.00 0.00 N ATOM 782 CA LEU A 48 3.115 -2.794 3.070 1.00 0.00 C ATOM 783 C LEU A 48 3.848 -2.073 4.205 1.00 0.00 C ATOM 784 O LEU A 48 3.690 -0.866 4.384 1.00 0.00 O ATOM 785 CB LEU A 48 2.067 -3.777 3.608 1.00 0.00 C ATOM 786 CG LEU A 48 1.078 -4.188 2.503 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.496 -5.574 2.779 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.075 -3.185 2.405 1.00 0.00 C ATOM 0 H LEU A 48 3.818 -4.489 2.066 1.00 0.00 H new ATOM 0 HA LEU A 48 2.603 -2.032 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.564 -4.663 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.524 -3.319 4.435 1.00 0.00 H new ATOM 0 HG LEU A 48 1.631 -4.205 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.200 -5.841 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.302 -6.306 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.030 -5.564 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.762 -3.496 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.607 -3.148 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.321 -2.197 2.172 1.00 0.00 H new ATOM 800 N LEU A 49 4.667 -2.811 4.957 1.00 0.00 N ATOM 801 CA LEU A 49 5.464 -2.273 6.053 1.00 0.00 C ATOM 802 C LEU A 49 6.299 -1.082 5.567 1.00 0.00 C ATOM 803 O LEU A 49 6.249 -0.001 6.158 1.00 0.00 O ATOM 804 CB LEU A 49 6.310 -3.419 6.636 1.00 0.00 C ATOM 805 CG LEU A 49 7.181 -3.104 7.865 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.480 -2.370 7.513 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.400 -2.359 8.951 1.00 0.00 C ATOM 0 H LEU A 49 4.795 -3.813 4.817 1.00 0.00 H new ATOM 0 HA LEU A 49 4.831 -1.883 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.636 -4.234 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.964 -3.790 5.847 1.00 0.00 H new ATOM 0 HG LEU A 49 7.472 -4.073 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.048 -2.178 8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.074 -2.986 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.243 -1.424 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.056 -2.159 9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.027 -1.417 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.560 -2.971 9.279 1.00 0.00 H new ATOM 819 N ARG A 50 7.058 -1.272 4.483 1.00 0.00 N ATOM 820 CA ARG A 50 7.892 -0.226 3.906 1.00 0.00 C ATOM 821 C ARG A 50 7.063 1.016 3.586 1.00 0.00 C ATOM 822 O ARG A 50 7.416 2.116 4.001 1.00 0.00 O ATOM 823 CB ARG A 50 8.604 -0.742 2.646 1.00 0.00 C ATOM 824 CG ARG A 50 9.706 -1.756 2.979 1.00 0.00 C ATOM 825 CD ARG A 50 11.096 -1.107 2.986 1.00 0.00 C ATOM 826 NE ARG A 50 11.175 0.052 3.888 1.00 0.00 N ATOM 827 CZ ARG A 50 11.410 0.001 5.206 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.509 -1.175 5.834 1.00 0.00 N ATOM 829 NH2 ARG A 50 11.546 1.142 5.889 1.00 0.00 N ATOM 0 H ARG A 50 7.108 -2.160 3.984 1.00 0.00 H new ATOM 0 HA ARG A 50 8.648 0.053 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.874 -1.206 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.038 0.099 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.508 -2.201 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.687 -2.566 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.837 -1.848 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.351 -0.793 1.974 1.00 0.00 H new ATOM 0 HE ARG A 50 11.039 0.974 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.405 -2.044 5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.688 -1.204 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.471 2.037 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.725 1.117 6.893 1.00 0.00 H new ATOM 843 N LEU A 51 5.959 0.857 2.854 1.00 0.00 N ATOM 844 CA LEU A 51 5.088 1.930 2.469 1.00 0.00 C ATOM 845 C LEU A 51 4.567 2.666 3.705 1.00 0.00 C ATOM 846 O LEU A 51 4.580 3.896 3.735 1.00 0.00 O ATOM 847 CB LEU A 51 3.981 1.292 1.636 1.00 0.00 C ATOM 848 CG LEU A 51 4.468 0.727 0.293 1.00 0.00 C ATOM 849 CD1 LEU A 51 3.397 -0.185 -0.311 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.754 1.864 -0.683 1.00 0.00 C ATOM 0 H LEU A 51 5.652 -0.053 2.511 1.00 0.00 H new ATOM 0 HA LEU A 51 5.598 2.692 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.521 0.489 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.206 2.035 1.448 1.00 0.00 H new ATOM 0 HG LEU A 51 5.381 0.158 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.751 -0.581 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.194 -1.010 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.482 0.385 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.098 1.451 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.843 2.440 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.525 2.514 -0.269 1.00 0.00 H new ATOM 862 N ILE A 52 4.127 1.935 4.732 1.00 0.00 N ATOM 863 CA ILE A 52 3.674 2.549 5.975 1.00 0.00 C ATOM 864 C ILE A 52 4.805 3.406 6.551 1.00 0.00 C ATOM 865 O ILE A 52 4.587 4.578 6.853 1.00 0.00 O ATOM 866 CB ILE A 52 3.153 1.481 6.953 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.834 0.908 6.411 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.921 2.074 8.353 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.486 -0.444 7.031 1.00 0.00 C ATOM 0 H ILE A 52 4.076 0.916 4.724 1.00 0.00 H new ATOM 0 HA ILE A 52 2.828 3.210 5.785 1.00 0.00 H new ATOM 0 HB ILE A 52 3.901 0.693 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.027 1.613 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.906 0.800 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.553 1.296 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.859 2.471 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.186 2.876 8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.546 -0.804 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.278 -1.160 6.811 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.386 -0.334 8.111 1.00 0.00 H new ATOM 881 N LYS A 53 6.020 2.858 6.673 1.00 0.00 N ATOM 882 CA LYS A 53 7.155 3.635 7.167 1.00 0.00 C ATOM 883 C LYS A 53 7.411 4.864 6.284 1.00 0.00 C ATOM 884 O LYS A 53 7.727 5.936 6.795 1.00 0.00 O ATOM 885 CB LYS A 53 8.402 2.755 7.317 1.00 0.00 C ATOM 886 CG LYS A 53 8.232 1.790 8.498 1.00 0.00 C ATOM 887 CD LYS A 53 9.540 1.043 8.779 1.00 0.00 C ATOM 888 CE LYS A 53 9.404 0.205 10.055 1.00 0.00 C ATOM 889 NZ LYS A 53 10.632 -0.558 10.335 1.00 0.00 N ATOM 0 H LYS A 53 6.238 1.890 6.438 1.00 0.00 H new ATOM 0 HA LYS A 53 6.907 4.007 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.571 2.192 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.281 3.381 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.926 2.344 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.439 1.075 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.788 0.398 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.358 1.755 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.181 0.859 10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.564 -0.482 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.505 -1.113 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.831 -1.199 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.429 0.099 10.457 1.00 0.00 H new ATOM 903 N LYS A 54 7.241 4.735 4.965 1.00 0.00 N ATOM 904 CA LYS A 54 7.379 5.845 4.026 1.00 0.00 C ATOM 905 C LYS A 54 6.186 6.818 4.099 1.00 0.00 C ATOM 906 O LYS A 54 6.130 7.768 3.322 1.00 0.00 O ATOM 907 CB LYS A 54 7.585 5.301 2.603 1.00 0.00 C ATOM 908 CG LYS A 54 8.934 4.577 2.476 1.00 0.00 C ATOM 909 CD LYS A 54 9.050 3.768 1.177 1.00 0.00 C ATOM 910 CE LYS A 54 8.995 4.649 -0.076 1.00 0.00 C ATOM 911 NZ LYS A 54 9.328 3.870 -1.281 1.00 0.00 N ATOM 0 H LYS A 54 7.002 3.850 4.518 1.00 0.00 H new ATOM 0 HA LYS A 54 8.259 6.423 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.776 4.615 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.541 6.122 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.740 5.309 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.066 3.910 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.987 3.211 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.244 3.036 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.999 5.079 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.692 5.481 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.090 4.423 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.345 3.653 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.784 2.983 -1.282 1.00 0.00 H new ATOM 925 N GLY A 55 5.236 6.608 5.018 1.00 0.00 N ATOM 926 CA GLY A 55 4.082 7.471 5.213 1.00 0.00 C ATOM 927 C GLY A 55 3.060 7.355 4.086 1.00 0.00 C ATOM 928 O GLY A 55 2.230 8.247 3.926 1.00 0.00 O ATOM 0 H GLY A 55 5.256 5.813 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.603 7.221 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.416 8.506 5.289 1.00 0.00 H new ATOM 932 N ALA A 56 3.050 6.238 3.360 1.00 0.00 N ATOM 933 CA ALA A 56 2.165 6.012 2.226 1.00 0.00 C ATOM 934 C ALA A 56 0.733 5.643 2.639 1.00 0.00 C ATOM 935 O ALA A 56 -0.241 6.077 2.021 1.00 0.00 O ATOM 936 CB ALA A 56 2.752 4.846 1.424 1.00 0.00 C ATOM 0 H ALA A 56 3.671 5.451 3.550 1.00 0.00 H new ATOM 0 HA ALA A 56 2.101 6.937 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.118 4.642 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.754 5.106 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.802 3.959 2.055 1.00 0.00 H new ATOM 942 N LEU A 57 0.612 4.804 3.669 1.00 0.00 N ATOM 943 CA LEU A 57 -0.616 4.194 4.138 1.00 0.00 C ATOM 944 C LEU A 57 -0.587 4.135 5.669 1.00 0.00 C ATOM 945 O LEU A 57 0.476 4.313 6.269 1.00 0.00 O ATOM 946 CB LEU A 57 -0.678 2.749 3.619 1.00 0.00 C ATOM 947 CG LEU A 57 -0.424 2.493 2.119 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.372 0.979 1.912 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.499 3.058 1.185 1.00 0.00 C ATOM 0 H LEU A 57 1.419 4.521 4.225 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.471 4.772 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.048 2.163 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.664 2.352 3.860 1.00 0.00 H new ATOM 0 HG LEU A 57 0.506 3.002 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.193 0.762 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.435 0.557 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.320 0.537 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.238 2.831 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.462 2.607 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.562 4.138 1.315 1.00 0.00 H new ATOM 961 N ASN A 58 -1.739 3.877 6.290 1.00 0.00 N ATOM 962 CA ASN A 58 -1.905 3.685 7.720 1.00 0.00 C ATOM 963 C ASN A 58 -2.779 2.452 7.928 1.00 0.00 C ATOM 964 O ASN A 58 -3.838 2.343 7.307 1.00 0.00 O ATOM 965 CB ASN A 58 -2.576 4.910 8.335 1.00 0.00 C ATOM 966 CG ASN A 58 -2.862 4.669 9.813 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.999 4.440 10.206 1.00 0.00 O ATOM 968 ND2 ASN A 58 -1.824 4.680 10.645 1.00 0.00 N ATOM 0 H ASN A 58 -2.619 3.794 5.780 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.936 3.548 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.933 5.782 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.505 5.127 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.964 4.495 11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.888 4.874 10.290 1.00 0.00 H new ATOM 975 N HIS A 59 -2.339 1.519 8.773 1.00 0.00 N ATOM 976 CA HIS A 59 -3.039 0.277 9.049 1.00 0.00 C ATOM 977 C HIS A 59 -3.838 0.363 10.349 1.00 0.00 C ATOM 978 O HIS A 59 -3.279 0.599 11.418 1.00 0.00 O ATOM 979 CB HIS A 59 -2.050 -0.894 9.051 1.00 0.00 C ATOM 980 CG HIS A 59 -0.860 -0.791 9.972 1.00 0.00 C ATOM 981 ND1 HIS A 59 -0.324 0.435 10.375 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.051 -1.796 10.428 1.00 0.00 C ATOM 983 CE1 HIS A 59 0.742 0.115 11.113 1.00 0.00 C ATOM 984 NE2 HIS A 59 0.953 -1.210 11.170 1.00 0.00 N ATOM 0 H HIS A 59 -1.466 1.614 9.293 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.764 0.100 8.255 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.599 -1.799 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.680 -1.025 8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.176 -2.852 10.241 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.366 0.843 11.610 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.706 -1.688 11.664 1.00 0.00 H new ATOM 992 N HIS A 60 -5.152 0.144 10.255 1.00 0.00 N ATOM 993 CA HIS A 60 -6.077 0.136 11.381 1.00 0.00 C ATOM 994 C HIS A 60 -6.459 -1.317 11.677 1.00 0.00 C ATOM 995 O HIS A 60 -6.546 -2.131 10.762 1.00 0.00 O ATOM 996 CB HIS A 60 -7.287 1.010 11.081 1.00 0.00 C ATOM 997 CG HIS A 60 -8.424 0.803 12.046 1.00 0.00 C ATOM 998 ND1 HIS A 60 -8.209 0.665 13.419 1.00 0.00 N ATOM 999 CD2 HIS A 60 -9.748 0.589 11.780 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -9.402 0.325 13.917 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -10.350 0.244 12.970 1.00 0.00 N ATOM 0 H HIS A 60 -5.612 -0.038 9.363 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.608 0.559 12.270 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.985 2.057 11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.635 0.802 10.069 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.231 0.674 10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.583 0.136 14.965 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.326 -0.021 13.105 1.00 0.00 H new ATOM 1009 N LYS A 61 -6.657 -1.659 12.950 1.00 0.00 N ATOM 1010 CA LYS A 61 -6.954 -3.013 13.397 1.00 0.00 C ATOM 1011 C LYS A 61 -8.464 -3.272 13.356 1.00 0.00 C ATOM 1012 O LYS A 61 -9.181 -2.990 14.315 1.00 0.00 O ATOM 1013 CB LYS A 61 -6.355 -3.227 14.797 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.888 -2.776 14.922 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.966 -3.415 13.872 1.00 0.00 C ATOM 1016 CE LYS A 61 -2.517 -2.931 14.007 1.00 0.00 C ATOM 1017 NZ LYS A 61 -1.915 -3.324 15.293 1.00 0.00 N ATOM 0 H LYS A 61 -6.614 -0.984 13.714 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.497 -3.738 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.956 -2.683 15.526 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.423 -4.284 15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.839 -1.691 14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.522 -3.026 15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.997 -4.500 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.335 -3.179 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.922 -3.339 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.488 -1.846 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.897 -3.111 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.369 -2.795 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.054 -4.344 15.444 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.957 -3.829 12.248 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.367 -4.150 12.086 1.00 0.00 C ATOM 1033 C GLU A 62 -10.634 -5.546 12.656 1.00 0.00 C ATOM 1034 O GLU A 62 -10.838 -6.525 11.934 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.753 -3.980 10.605 1.00 0.00 C ATOM 1036 CG GLU A 62 -11.063 -2.501 10.328 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.397 -2.065 10.935 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -13.433 -2.464 10.362 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.361 -1.349 11.960 1.00 0.00 O ATOM 0 H GLU A 62 -8.384 -4.069 11.439 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.006 -3.468 12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.939 -4.319 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.621 -4.596 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.262 -1.882 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.083 -2.332 9.251 1.00 0.00 H new ATOM 1046 N GLY A 63 -10.698 -5.579 13.990 1.00 0.00 N ATOM 1047 CA GLY A 63 -11.018 -6.731 14.820 1.00 0.00 C ATOM 1048 C GLY A 63 -10.184 -7.982 14.538 1.00 0.00 C ATOM 1049 O GLY A 63 -9.280 -8.313 15.299 1.00 0.00 O ATOM 0 H GLY A 63 -10.515 -4.746 14.549 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.888 -6.454 15.866 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.071 -6.976 14.684 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.528 -8.699 13.467 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.906 -9.959 13.084 1.00 0.00 C ATOM 1055 C ARG A 64 -8.759 -9.760 12.094 1.00 0.00 C ATOM 1056 O ARG A 64 -7.856 -10.590 12.036 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.963 -10.896 12.488 1.00 0.00 C ATOM 1058 CG ARG A 64 -12.190 -11.111 13.388 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.820 -11.696 14.757 1.00 0.00 C ATOM 1060 NE ARG A 64 -13.020 -12.022 15.542 1.00 0.00 N ATOM 1061 CZ ARG A 64 -13.767 -13.127 15.399 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -13.468 -14.032 14.460 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -14.817 -13.319 16.203 1.00 0.00 N ATOM 0 H ARG A 64 -11.267 -8.408 12.827 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.481 -10.405 13.983 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.294 -10.491 11.531 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.502 -11.862 12.283 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.703 -10.160 13.530 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.890 -11.780 12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.218 -12.594 14.620 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.207 -10.982 15.306 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.308 -11.352 16.255 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.667 -13.884 13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.041 -14.870 14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.045 -12.628 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.391 -14.156 16.102 1.00 0.00 H new ATOM 1077 N VAL A 65 -8.807 -8.692 11.294 1.00 0.00 N ATOM 1078 CA VAL A 65 -7.801 -8.386 10.286 1.00 0.00 C ATOM 1079 C VAL A 65 -7.435 -6.913 10.424 1.00 0.00 C ATOM 1080 O VAL A 65 -8.071 -6.187 11.185 1.00 0.00 O ATOM 1081 CB VAL A 65 -8.347 -8.716 8.883 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -8.470 -10.232 8.688 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -9.713 -8.062 8.627 1.00 0.00 C ATOM 0 H VAL A 65 -9.561 -8.006 11.333 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.905 -8.990 10.428 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.632 -8.311 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.857 -10.440 7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.489 -10.694 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.151 -10.641 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.059 -8.322 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.432 -8.420 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.619 -6.979 8.709 1.00 0.00 H new ATOM 1093 N PHE A 66 -6.405 -6.457 9.712 1.00 0.00 N ATOM 1094 CA PHE A 66 -6.019 -5.056 9.725 1.00 0.00 C ATOM 1095 C PHE A 66 -6.257 -4.464 8.341 1.00 0.00 C ATOM 1096 O PHE A 66 -5.901 -5.066 7.328 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.614 -4.840 10.296 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.488 -5.720 9.785 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -3.384 -7.045 10.254 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.387 -5.130 9.137 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -2.202 -7.778 10.057 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -1.181 -5.840 9.005 1.00 0.00 C ATOM 1103 CZ PHE A 66 -1.093 -7.171 9.445 1.00 0.00 C ATOM 0 H PHE A 66 -5.823 -7.046 9.117 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.651 -4.502 10.419 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.336 -3.803 10.111 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.671 -4.967 11.377 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.218 -7.499 10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.469 -4.129 8.740 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.146 -8.808 10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.320 -5.361 8.564 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.176 -7.726 9.313 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.929 -3.316 8.307 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.323 -2.627 7.097 1.00 0.00 C ATOM 1115 C VAL A 67 -6.327 -1.517 6.803 1.00 0.00 C ATOM 1116 O VAL A 67 -5.988 -0.735 7.691 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.781 -2.156 7.239 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.165 -1.069 6.227 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.703 -3.365 7.021 1.00 0.00 C ATOM 0 H VAL A 67 -7.221 -2.829 9.154 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.299 -3.288 6.230 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.889 -1.727 8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.205 -0.781 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.523 -0.199 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.040 -1.454 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.743 -3.052 7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.538 -3.773 6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.483 -4.129 7.767 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.880 -1.440 5.548 1.00 0.00 N ATOM 1130 CA TYR A 68 -4.908 -0.457 5.108 1.00 0.00 C ATOM 1131 C TYR A 68 -5.667 0.701 4.484 1.00 0.00 C ATOM 1132 O TYR A 68 -6.395 0.513 3.507 1.00 0.00 O ATOM 1133 CB TYR A 68 -3.970 -1.088 4.075 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.133 -2.216 4.634 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.076 -1.926 5.514 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.408 -3.550 4.284 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.307 -2.969 6.059 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -2.592 -4.582 4.775 1.00 0.00 C ATOM 1139 CZ TYR A 68 -1.551 -4.293 5.673 1.00 0.00 C ATOM 1140 OH TYR A 68 -0.712 -5.278 6.097 1.00 0.00 O ATOM 0 H TYR A 68 -6.190 -2.068 4.807 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.309 -0.106 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.561 -1.464 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.309 -0.318 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.854 -0.901 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.244 -3.780 3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.529 -2.749 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.765 -5.601 4.461 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.081 -5.698 6.902 1.00 0.00 H new ATOM 1150 N THR A 69 -5.480 1.888 5.057 1.00 0.00 N ATOM 1151 CA THR A 69 -6.104 3.124 4.630 1.00 0.00 C ATOM 1152 C THR A 69 -5.021 3.990 3.972 1.00 0.00 C ATOM 1153 O THR A 69 -3.953 4.164 4.561 1.00 0.00 O ATOM 1154 CB THR A 69 -6.747 3.825 5.836 1.00 0.00 C ATOM 1155 OG1 THR A 69 -5.788 4.265 6.775 1.00 0.00 O ATOM 1156 CG2 THR A 69 -7.729 2.917 6.583 1.00 0.00 C ATOM 0 H THR A 69 -4.865 2.013 5.861 1.00 0.00 H new ATOM 0 HA THR A 69 -6.899 2.938 3.908 1.00 0.00 H new ATOM 0 HB THR A 69 -7.275 4.678 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.148 3.544 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.156 3.459 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.527 2.610 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.203 2.035 6.948 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.218 4.479 2.739 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.234 5.329 2.092 1.00 0.00 C ATOM 1166 C PRO A 70 -4.031 6.648 2.837 1.00 0.00 C ATOM 1167 O PRO A 70 -5.003 7.296 3.216 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.764 5.586 0.680 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.644 4.370 0.416 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.237 4.062 1.792 1.00 0.00 C ATOM 0 HA PRO A 70 -3.259 4.841 2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.332 6.515 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.955 5.664 -0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.420 4.587 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.066 3.531 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.169 4.604 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.463 3.001 1.896 1.00 0.00 H new ATOM 1178 N ASN A 71 -2.774 7.059 3.020 1.00 0.00 N ATOM 1179 CA ASN A 71 -2.453 8.345 3.636 1.00 0.00 C ATOM 1180 C ASN A 71 -2.526 9.420 2.562 1.00 0.00 C ATOM 1181 O ASN A 71 -2.964 10.542 2.800 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.023 8.328 4.191 1.00 0.00 C ATOM 1183 CG ASN A 71 -0.853 7.366 5.354 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -1.815 6.812 5.872 1.00 0.00 O ATOM 1185 ND2 ASN A 71 0.388 7.146 5.764 1.00 0.00 N ATOM 0 H ASN A 71 -1.957 6.513 2.747 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.156 8.540 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.332 8.053 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.752 9.333 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.564 6.499 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.167 7.624 5.311 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.043 9.047 1.378 1.00 0.00 N ATOM 1193 CA ILE A 72 -1.914 9.878 0.203 1.00 0.00 C ATOM 1194 C ILE A 72 -2.871 9.402 -0.899 1.00 0.00 C ATOM 1195 O ILE A 72 -3.368 8.275 -0.857 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.444 9.821 -0.242 1.00 0.00 C ATOM 1197 CG1 ILE A 72 0.064 8.377 -0.379 1.00 0.00 C ATOM 1198 CG2 ILE A 72 0.478 10.533 0.760 1.00 0.00 C ATOM 1199 CD1 ILE A 72 1.093 8.288 -1.501 1.00 0.00 C ATOM 0 H ILE A 72 -1.714 8.096 1.213 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.187 10.911 0.420 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.415 10.320 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.509 8.049 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.771 7.708 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.509 10.472 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.185 11.579 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.395 10.053 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.447 7.261 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.634 8.596 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.934 8.943 -1.276 1.00 0.00 H new