USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 69 THR OG1 : rot 180:sc= -0.656 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.644 K(o=-1.3,f=-2.6) USER MOD Single : A 9 SER OG : rot 55:sc= 1.1 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= 0.00963 (180deg=-0.365) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 152:sc= -0.55 USER MOD Single : A 59 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= -1.04 K(o=-1,f=-3.2!) USER MOD Single : A 68 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.6) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.985 -14.669 3.796 1.00 0.00 N ATOM 93 CA SER A 9 -11.833 -14.147 4.510 1.00 0.00 C ATOM 94 C SER A 9 -10.941 -13.351 3.554 1.00 0.00 C ATOM 95 O SER A 9 -10.106 -13.925 2.856 1.00 0.00 O ATOM 96 CB SER A 9 -11.034 -15.274 5.167 1.00 0.00 C ATOM 97 OG SER A 9 -10.337 -16.064 4.207 1.00 0.00 O ATOM 0 HA SER A 9 -12.191 -13.485 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.321 -14.849 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.709 -15.911 5.739 1.00 0.00 H new ATOM 0 HG SER A 9 -9.774 -15.484 3.652 1.00 0.00 H new ATOM 103 N LYS A 10 -11.148 -12.043 3.553 1.00 0.00 N ATOM 104 CA LYS A 10 -10.374 -11.163 2.695 1.00 0.00 C ATOM 105 C LYS A 10 -9.868 -9.974 3.514 1.00 0.00 C ATOM 106 O LYS A 10 -10.307 -9.761 4.643 1.00 0.00 O ATOM 107 CB LYS A 10 -11.189 -10.760 1.465 1.00 0.00 C ATOM 108 CG LYS A 10 -11.054 -11.802 0.352 1.00 0.00 C ATOM 109 CD LYS A 10 -11.791 -11.353 -0.912 1.00 0.00 C ATOM 110 CE LYS A 10 -11.346 -12.170 -2.126 1.00 0.00 C ATOM 111 NZ LYS A 10 -12.155 -11.817 -3.314 1.00 0.00 N ATOM 0 H LYS A 10 -11.841 -11.571 4.133 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.496 -11.682 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.238 -10.650 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.851 -9.789 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.000 -11.962 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.456 -12.757 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.866 -11.464 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.601 -10.295 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.291 -11.985 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.448 -13.234 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.840 -12.381 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.158 -12.016 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.037 -10.806 -3.526 1.00 0.00 H new ATOM 125 N VAL A 11 -8.951 -9.230 2.913 1.00 0.00 N ATOM 126 CA VAL A 11 -8.381 -8.067 3.572 1.00 0.00 C ATOM 127 C VAL A 11 -8.414 -6.875 2.614 1.00 0.00 C ATOM 128 O VAL A 11 -7.934 -6.968 1.485 1.00 0.00 O ATOM 129 CB VAL A 11 -6.973 -8.390 4.077 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.009 -9.495 5.134 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.049 -8.770 2.918 1.00 0.00 C ATOM 0 H VAL A 11 -8.589 -9.410 1.977 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.972 -7.796 4.447 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.571 -7.492 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.995 -9.705 5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.617 -9.171 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.440 -10.398 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.055 -8.995 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.447 -9.647 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.986 -7.939 2.215 1.00 0.00 H new ATOM 141 N SER A 12 -8.985 -5.782 3.099 1.00 0.00 N ATOM 142 CA SER A 12 -9.087 -4.573 2.300 1.00 0.00 C ATOM 143 C SER A 12 -7.986 -3.589 2.697 1.00 0.00 C ATOM 144 O SER A 12 -7.822 -3.277 3.876 1.00 0.00 O ATOM 145 CB SER A 12 -10.463 -3.923 2.459 1.00 0.00 C ATOM 146 OG SER A 12 -10.509 -3.037 3.574 1.00 0.00 O ATOM 0 H SER A 12 -9.382 -5.709 4.036 1.00 0.00 H new ATOM 0 HA SER A 12 -8.962 -4.844 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.712 -3.375 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.219 -4.699 2.581 1.00 0.00 H new ATOM 0 HG SER A 12 -11.403 -2.641 3.641 1.00 0.00 H new ATOM 152 N PHE A 13 -7.258 -3.127 1.691 1.00 0.00 N ATOM 153 CA PHE A 13 -6.176 -2.184 1.921 1.00 0.00 C ATOM 154 C PHE A 13 -6.585 -0.769 1.506 1.00 0.00 C ATOM 155 O PHE A 13 -6.737 -0.486 0.319 1.00 0.00 O ATOM 156 CB PHE A 13 -4.998 -2.636 1.055 1.00 0.00 C ATOM 157 CG PHE A 13 -4.769 -4.149 1.056 1.00 0.00 C ATOM 158 CD1 PHE A 13 -3.958 -4.713 1.991 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.376 -4.929 0.122 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.746 -6.117 1.991 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.164 -6.333 0.123 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.353 -6.898 1.057 1.00 0.00 C ATOM 0 H PHE A 13 -7.396 -3.388 0.715 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.919 -2.163 2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.166 -2.305 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.092 -2.142 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.476 -4.094 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.019 -4.481 -0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.102 -6.565 2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.647 -6.952 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.191 -7.966 1.057 1.00 0.00 H new ATOM 172 N LYS A 14 -6.751 0.081 2.509 1.00 0.00 N ATOM 173 CA LYS A 14 -7.139 1.460 2.263 1.00 0.00 C ATOM 174 C LYS A 14 -5.884 2.326 2.148 1.00 0.00 C ATOM 175 O LYS A 14 -5.341 2.776 3.156 1.00 0.00 O ATOM 176 CB LYS A 14 -8.121 1.939 3.335 1.00 0.00 C ATOM 177 CG LYS A 14 -8.778 3.258 2.926 1.00 0.00 C ATOM 178 CD LYS A 14 -10.058 3.505 3.727 1.00 0.00 C ATOM 179 CE LYS A 14 -11.237 2.736 3.127 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.031 2.087 4.195 1.00 0.00 N ATOM 0 H LYS A 14 -6.624 -0.158 3.492 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.671 1.543 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.888 1.181 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.597 2.068 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.081 4.080 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.009 3.238 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.908 3.199 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.283 4.571 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.870 3.416 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.870 1.983 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.827 1.570 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.428 1.423 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.397 2.812 4.845 1.00 0.00 H new ATOM 194 N ILE A 15 -5.458 2.533 0.911 1.00 0.00 N ATOM 195 CA ILE A 15 -4.276 3.338 0.651 1.00 0.00 C ATOM 196 C ILE A 15 -4.698 4.671 0.030 1.00 0.00 C ATOM 197 O ILE A 15 -5.403 4.696 -0.977 1.00 0.00 O ATOM 198 CB ILE A 15 -3.272 2.555 -0.198 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.051 1.152 0.369 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.959 3.328 -0.345 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.131 0.095 -0.735 1.00 0.00 C ATOM 0 H ILE A 15 -5.910 2.157 0.077 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.760 3.569 1.583 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.689 2.435 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.077 1.102 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.800 0.943 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.263 2.750 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.153 4.286 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.525 3.499 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.970 -0.893 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.115 0.131 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.365 0.293 -1.485 1.00 0.00 H new ATOM 213 N THR A 16 -4.250 5.748 0.659 1.00 0.00 N ATOM 214 CA THR A 16 -4.572 7.082 0.181 1.00 0.00 C ATOM 215 C THR A 16 -3.322 7.765 -0.377 1.00 0.00 C ATOM 216 O THR A 16 -2.406 8.101 0.372 1.00 0.00 O ATOM 217 CB THR A 16 -5.222 7.852 1.333 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.539 7.313 1.411 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.443 9.328 0.998 1.00 0.00 C ATOM 0 H THR A 16 -3.667 5.724 1.495 1.00 0.00 H new ATOM 0 HA THR A 16 -5.281 7.046 -0.646 1.00 0.00 H new ATOM 0 HB THR A 16 -4.597 7.771 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.031 7.755 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.906 9.829 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.485 9.799 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.096 9.410 0.129 1.00 0.00 H new ATOM 227 N LEU A 17 -3.324 7.950 -1.689 1.00 0.00 N ATOM 228 CA LEU A 17 -2.202 8.587 -2.357 1.00 0.00 C ATOM 229 C LEU A 17 -1.981 9.978 -1.759 1.00 0.00 C ATOM 230 O LEU A 17 -2.939 10.677 -1.434 1.00 0.00 O ATOM 231 CB LEU A 17 -2.415 8.596 -3.872 1.00 0.00 C ATOM 232 CG LEU A 17 -1.408 9.411 -4.686 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.080 8.664 -4.822 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.989 9.799 -6.047 1.00 0.00 C ATOM 0 H LEU A 17 -4.085 7.670 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.287 8.019 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.392 7.566 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.414 8.981 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.203 10.336 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.618 9.265 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.338 8.481 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.248 7.712 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.253 10.378 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.241 8.897 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.887 10.399 -5.901 1.00 0.00 H new ATOM 246 N THR A 18 -0.712 10.338 -1.632 1.00 0.00 N ATOM 247 CA THR A 18 -0.353 11.632 -1.079 1.00 0.00 C ATOM 248 C THR A 18 0.403 12.464 -2.116 1.00 0.00 C ATOM 249 O THR A 18 1.562 12.820 -1.907 1.00 0.00 O ATOM 250 CB THR A 18 0.443 11.393 0.206 1.00 0.00 C ATOM 251 OG1 THR A 18 1.718 10.953 -0.253 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.091 10.210 1.014 1.00 0.00 C ATOM 0 H THR A 18 0.080 9.755 -1.903 1.00 0.00 H new ATOM 0 HA THR A 18 -1.240 12.213 -0.826 1.00 0.00 H new ATOM 0 HB THR A 18 0.418 12.293 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.161 11.681 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.509 10.084 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.128 10.398 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.035 9.303 0.412 1.00 0.00 H new ATOM 260 N SER A 19 -0.284 12.751 -3.213 1.00 0.00 N ATOM 261 CA SER A 19 0.308 13.534 -4.283 1.00 0.00 C ATOM 262 C SER A 19 -0.650 14.649 -4.708 1.00 0.00 C ATOM 263 O SER A 19 -0.238 15.795 -4.879 1.00 0.00 O ATOM 264 CB SER A 19 0.660 12.651 -5.482 1.00 0.00 C ATOM 265 OG SER A 19 0.452 13.325 -6.721 1.00 0.00 O ATOM 0 H SER A 19 -1.245 12.455 -3.383 1.00 0.00 H new ATOM 0 HA SER A 19 1.231 13.979 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.702 12.339 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.054 11.745 -5.456 1.00 0.00 H new ATOM 0 HG SER A 19 0.689 12.729 -7.462 1.00 0.00 H new ATOM 271 N ASP A 20 -1.911 14.273 -4.866 1.00 0.00 N ATOM 272 CA ASP A 20 -2.931 15.226 -5.267 1.00 0.00 C ATOM 273 C ASP A 20 -3.725 15.666 -4.036 1.00 0.00 C ATOM 274 O ASP A 20 -3.623 15.051 -2.975 1.00 0.00 O ATOM 275 CB ASP A 20 -3.910 14.600 -6.262 1.00 0.00 C ATOM 276 CG ASP A 20 -3.858 15.183 -7.675 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.800 15.757 -8.014 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.877 15.043 -8.385 1.00 0.00 O ATOM 0 H ASP A 20 -2.249 13.321 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.433 16.074 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.711 13.530 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.922 14.716 -5.874 1.00 0.00 H new ATOM 283 N PRO A 21 -4.519 16.754 -4.222 1.00 0.00 N ATOM 284 CA PRO A 21 -5.331 17.283 -3.138 1.00 0.00 C ATOM 285 C PRO A 21 -6.550 16.394 -2.882 1.00 0.00 C ATOM 286 O PRO A 21 -6.835 16.041 -1.739 1.00 0.00 O ATOM 287 CB PRO A 21 -5.703 18.690 -3.576 1.00 0.00 C ATOM 288 CG PRO A 21 -5.480 18.731 -5.079 1.00 0.00 C ATOM 289 CD PRO A 21 -4.665 17.507 -5.464 1.00 0.00 C ATOM 0 HA PRO A 21 -4.800 17.304 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.741 18.915 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.087 19.433 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.434 18.735 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.955 19.643 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.173 16.917 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.695 17.790 -5.872 1.00 0.00 H new ATOM 297 N ARG A 22 -7.235 16.059 -3.965 1.00 0.00 N ATOM 298 CA ARG A 22 -8.417 15.218 -3.872 1.00 0.00 C ATOM 299 C ARG A 22 -8.118 13.972 -3.036 1.00 0.00 C ATOM 300 O ARG A 22 -9.027 13.366 -2.472 1.00 0.00 O ATOM 301 CB ARG A 22 -8.899 14.790 -5.259 1.00 0.00 C ATOM 302 CG ARG A 22 -7.891 13.848 -5.923 1.00 0.00 C ATOM 303 CD ARG A 22 -8.061 13.847 -7.443 1.00 0.00 C ATOM 304 NE ARG A 22 -8.916 12.712 -7.856 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.256 12.748 -7.872 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.901 13.861 -7.497 1.00 0.00 N ATOM 307 NH2 ARG A 22 -10.950 11.670 -8.261 1.00 0.00 N ATOM 0 H ARG A 22 -6.995 16.354 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.202 15.802 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.866 14.293 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.046 15.670 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.877 14.156 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.024 12.837 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.508 14.787 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.087 13.774 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.457 11.849 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.372 14.681 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.921 13.888 -7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.459 10.822 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.970 11.697 -8.273 1.00 0.00 H new ATOM 321 N LEU A 23 -6.840 13.628 -2.983 1.00 0.00 N ATOM 322 CA LEU A 23 -6.409 12.465 -2.225 1.00 0.00 C ATOM 323 C LEU A 23 -7.281 11.265 -2.601 1.00 0.00 C ATOM 324 O LEU A 23 -8.205 10.912 -1.870 1.00 0.00 O ATOM 325 CB LEU A 23 -6.402 12.774 -0.727 1.00 0.00 C ATOM 326 CG LEU A 23 -5.027 12.819 -0.057 1.00 0.00 C ATOM 327 CD1 LEU A 23 -4.400 14.209 -0.184 1.00 0.00 C ATOM 328 CD2 LEU A 23 -5.111 12.359 1.399 1.00 0.00 C ATOM 0 H LEU A 23 -6.089 14.134 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.381 12.205 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.891 13.736 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.007 12.023 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.371 12.121 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.424 14.213 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.283 14.461 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.046 14.945 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.120 12.401 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.789 13.012 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.484 11.336 1.436 1.00 0.00 H new ATOM 340 N PRO A 24 -6.947 10.656 -3.770 1.00 0.00 N ATOM 341 CA PRO A 24 -7.689 9.504 -4.252 1.00 0.00 C ATOM 342 C PRO A 24 -7.329 8.248 -3.456 1.00 0.00 C ATOM 343 O PRO A 24 -6.206 7.754 -3.542 1.00 0.00 O ATOM 344 CB PRO A 24 -7.333 9.394 -5.726 1.00 0.00 C ATOM 345 CG PRO A 24 -6.055 10.198 -5.906 1.00 0.00 C ATOM 346 CD PRO A 24 -5.859 11.047 -4.661 1.00 0.00 C ATOM 0 HA PRO A 24 -8.766 9.614 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.184 8.354 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.134 9.788 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.204 9.534 -6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.123 10.830 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.887 10.861 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.903 12.110 -4.896 1.00 0.00 H new ATOM 354 N TYR A 25 -8.304 7.767 -2.698 1.00 0.00 N ATOM 355 CA TYR A 25 -8.104 6.578 -1.887 1.00 0.00 C ATOM 356 C TYR A 25 -8.373 5.309 -2.698 1.00 0.00 C ATOM 357 O TYR A 25 -9.207 5.311 -3.602 1.00 0.00 O ATOM 358 CB TYR A 25 -9.123 6.668 -0.749 1.00 0.00 C ATOM 359 CG TYR A 25 -10.558 6.343 -1.172 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.368 7.336 -1.683 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.041 5.057 -1.041 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.718 7.030 -2.081 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.391 4.751 -1.438 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.163 5.753 -1.939 1.00 0.00 C ATOM 365 OH TYR A 25 -14.437 5.464 -2.314 1.00 0.00 O ATOM 0 H TYR A 25 -9.234 8.179 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.077 6.528 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.826 5.984 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.097 7.674 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.990 8.343 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.407 4.280 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.362 7.798 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.782 3.749 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.617 4.513 -2.157 1.00 0.00 H new ATOM 375 N LYS A 26 -7.652 4.255 -2.345 1.00 0.00 N ATOM 376 CA LYS A 26 -7.803 2.982 -3.029 1.00 0.00 C ATOM 377 C LYS A 26 -8.122 1.892 -2.004 1.00 0.00 C ATOM 378 O LYS A 26 -7.590 1.903 -0.894 1.00 0.00 O ATOM 379 CB LYS A 26 -6.568 2.682 -3.881 1.00 0.00 C ATOM 380 CG LYS A 26 -6.968 2.261 -5.296 1.00 0.00 C ATOM 381 CD LYS A 26 -7.020 0.737 -5.420 1.00 0.00 C ATOM 382 CE LYS A 26 -7.347 0.314 -6.854 1.00 0.00 C ATOM 383 NZ LYS A 26 -8.782 -0.028 -6.979 1.00 0.00 N ATOM 0 H LYS A 26 -6.962 4.257 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.641 3.021 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.930 3.565 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.983 1.890 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.942 2.683 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.254 2.664 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.062 0.311 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.772 0.339 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.098 1.121 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.737 -0.544 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.879 -1.035 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.264 0.161 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.212 0.550 -7.729 1.00 0.00 H new ATOM 397 N VAL A 27 -8.989 0.977 -2.411 1.00 0.00 N ATOM 398 CA VAL A 27 -9.385 -0.118 -1.542 1.00 0.00 C ATOM 399 C VAL A 27 -9.477 -1.406 -2.361 1.00 0.00 C ATOM 400 O VAL A 27 -10.470 -1.640 -3.049 1.00 0.00 O ATOM 401 CB VAL A 27 -10.692 0.229 -0.825 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.561 1.150 -1.685 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.456 -1.037 -0.433 1.00 0.00 C ATOM 0 H VAL A 27 -9.429 0.971 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.637 -0.279 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.440 0.764 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.484 1.381 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.020 2.073 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.800 0.652 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.380 -0.762 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.691 -1.612 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.841 -1.641 0.235 1.00 0.00 H new ATOM 413 N LEU A 28 -8.428 -2.210 -2.261 1.00 0.00 N ATOM 414 CA LEU A 28 -8.378 -3.469 -2.985 1.00 0.00 C ATOM 415 C LEU A 28 -8.790 -4.607 -2.049 1.00 0.00 C ATOM 416 O LEU A 28 -8.508 -4.564 -0.852 1.00 0.00 O ATOM 417 CB LEU A 28 -7.001 -3.666 -3.623 1.00 0.00 C ATOM 418 CG LEU A 28 -6.870 -4.850 -4.582 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.633 -4.590 -5.883 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.400 -5.188 -4.838 1.00 0.00 C ATOM 0 H LEU A 28 -7.606 -2.014 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.089 -3.462 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.739 -2.756 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.267 -3.786 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.324 -5.722 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.523 -5.448 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.689 -4.436 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.231 -3.701 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.335 -6.033 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.900 -4.325 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.917 -5.447 -3.896 1.00 0.00 H new ATOM 432 N SER A 29 -9.452 -5.597 -2.629 1.00 0.00 N ATOM 433 CA SER A 29 -9.906 -6.744 -1.862 1.00 0.00 C ATOM 434 C SER A 29 -9.193 -8.010 -2.342 1.00 0.00 C ATOM 435 O SER A 29 -9.408 -8.459 -3.467 1.00 0.00 O ATOM 436 CB SER A 29 -11.422 -6.915 -1.972 1.00 0.00 C ATOM 437 OG SER A 29 -11.933 -7.801 -0.979 1.00 0.00 O ATOM 0 H SER A 29 -9.685 -5.628 -3.622 1.00 0.00 H new ATOM 0 HA SER A 29 -9.662 -6.572 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.905 -5.943 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.673 -7.296 -2.962 1.00 0.00 H new ATOM 0 HG SER A 29 -12.904 -7.882 -1.082 1.00 0.00 H new ATOM 443 N VAL A 30 -8.360 -8.550 -1.465 1.00 0.00 N ATOM 444 CA VAL A 30 -7.614 -9.756 -1.785 1.00 0.00 C ATOM 445 C VAL A 30 -7.658 -10.710 -0.591 1.00 0.00 C ATOM 446 O VAL A 30 -7.938 -10.293 0.532 1.00 0.00 O ATOM 447 CB VAL A 30 -6.189 -9.393 -2.209 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.172 -8.094 -3.017 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.264 -9.296 -0.994 1.00 0.00 C ATOM 0 H VAL A 30 -8.185 -8.175 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.068 -10.273 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.816 -10.191 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.148 -7.859 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.783 -8.214 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.573 -7.283 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.258 -9.037 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.634 -8.527 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.241 -10.255 -0.477 1.00 0.00 H new ATOM 459 N PRO A 31 -7.369 -12.007 -0.880 1.00 0.00 N ATOM 460 CA PRO A 31 -7.373 -13.024 0.158 1.00 0.00 C ATOM 461 C PRO A 31 -6.131 -12.909 1.043 1.00 0.00 C ATOM 462 O PRO A 31 -5.012 -12.814 0.540 1.00 0.00 O ATOM 463 CB PRO A 31 -7.451 -14.347 -0.588 1.00 0.00 C ATOM 464 CG PRO A 31 -7.020 -14.047 -2.014 1.00 0.00 C ATOM 465 CD PRO A 31 -7.033 -12.538 -2.198 1.00 0.00 C ATOM 0 HA PRO A 31 -8.212 -12.920 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.799 -15.092 -0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.463 -14.751 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.023 -14.446 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.695 -14.524 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.064 -12.172 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.767 -12.236 -2.945 1.00 0.00 H new ATOM 473 N GLU A 32 -6.368 -12.922 2.346 1.00 0.00 N ATOM 474 CA GLU A 32 -5.283 -12.820 3.306 1.00 0.00 C ATOM 475 C GLU A 32 -4.085 -13.653 2.844 1.00 0.00 C ATOM 476 O GLU A 32 -2.939 -13.226 2.977 1.00 0.00 O ATOM 477 CB GLU A 32 -5.742 -13.248 4.701 1.00 0.00 C ATOM 478 CG GLU A 32 -6.586 -14.523 4.633 1.00 0.00 C ATOM 479 CD GLU A 32 -6.808 -15.108 6.030 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.798 -15.255 6.751 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.983 -15.395 6.344 1.00 0.00 O ATOM 0 H GLU A 32 -7.297 -13.002 2.760 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.974 -11.776 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.874 -13.416 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.323 -12.447 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.548 -14.303 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.089 -15.259 4.001 1.00 0.00 H new ATOM 488 N SER A 33 -4.392 -14.826 2.309 1.00 0.00 N ATOM 489 CA SER A 33 -3.355 -15.722 1.826 1.00 0.00 C ATOM 490 C SER A 33 -2.457 -14.992 0.826 1.00 0.00 C ATOM 491 O SER A 33 -1.232 -15.079 0.908 1.00 0.00 O ATOM 492 CB SER A 33 -3.963 -16.970 1.181 1.00 0.00 C ATOM 493 OG SER A 33 -4.873 -16.641 0.135 1.00 0.00 O ATOM 0 H SER A 33 -5.344 -15.176 2.199 1.00 0.00 H new ATOM 0 HA SER A 33 -2.754 -16.041 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.165 -17.598 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.481 -17.555 1.941 1.00 0.00 H new ATOM 0 HG SER A 33 -5.238 -17.464 -0.252 1.00 0.00 H new ATOM 499 N THR A 34 -3.099 -14.288 -0.094 1.00 0.00 N ATOM 500 CA THR A 34 -2.373 -13.544 -1.109 1.00 0.00 C ATOM 501 C THR A 34 -1.360 -12.601 -0.456 1.00 0.00 C ATOM 502 O THR A 34 -1.615 -12.057 0.617 1.00 0.00 O ATOM 503 CB THR A 34 -3.396 -12.822 -1.988 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.981 -13.862 -2.766 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.737 -11.908 -3.023 1.00 0.00 C ATOM 0 H THR A 34 -4.115 -14.217 -0.158 1.00 0.00 H new ATOM 0 HA THR A 34 -1.788 -14.209 -1.745 1.00 0.00 H new ATOM 0 HB THR A 34 -4.065 -12.235 -1.359 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.538 -13.470 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.507 -11.420 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.140 -11.152 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.094 -12.500 -3.674 1.00 0.00 H new ATOM 513 N PRO A 35 -0.202 -12.433 -1.148 1.00 0.00 N ATOM 514 CA PRO A 35 0.851 -11.566 -0.647 1.00 0.00 C ATOM 515 C PRO A 35 0.484 -10.093 -0.836 1.00 0.00 C ATOM 516 O PRO A 35 -0.363 -9.761 -1.664 1.00 0.00 O ATOM 517 CB PRO A 35 2.096 -11.971 -1.419 1.00 0.00 C ATOM 518 CG PRO A 35 1.600 -12.722 -2.644 1.00 0.00 C ATOM 519 CD PRO A 35 0.136 -13.062 -2.422 1.00 0.00 C ATOM 0 HA PRO A 35 1.011 -11.676 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.679 -11.096 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.745 -12.601 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.718 -12.112 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.184 -13.630 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.487 -12.678 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.019 -14.140 -2.385 1.00 0.00 H new ATOM 527 N PHE A 36 1.139 -9.247 -0.054 1.00 0.00 N ATOM 528 CA PHE A 36 0.892 -7.817 -0.124 1.00 0.00 C ATOM 529 C PHE A 36 1.731 -7.170 -1.228 1.00 0.00 C ATOM 530 O PHE A 36 1.529 -6.004 -1.563 1.00 0.00 O ATOM 531 CB PHE A 36 1.302 -7.225 1.225 1.00 0.00 C ATOM 532 CG PHE A 36 0.514 -5.976 1.623 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.755 -4.792 0.998 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.429 -6.049 2.600 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.023 -3.632 1.367 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.161 -4.889 2.969 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.919 -3.705 2.344 1.00 0.00 C ATOM 0 H PHE A 36 1.841 -9.525 0.632 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.159 -7.631 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.174 -7.984 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.363 -6.978 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.503 -4.734 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.621 -6.989 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.215 -2.692 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.909 -4.947 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.476 -2.823 2.624 1.00 0.00 H new ATOM 547 N THR A 37 2.654 -7.955 -1.763 1.00 0.00 N ATOM 548 CA THR A 37 3.525 -7.473 -2.822 1.00 0.00 C ATOM 549 C THR A 37 2.712 -7.166 -4.081 1.00 0.00 C ATOM 550 O THR A 37 3.043 -6.247 -4.829 1.00 0.00 O ATOM 551 CB THR A 37 4.621 -8.517 -3.045 1.00 0.00 C ATOM 552 OG1 THR A 37 5.673 -7.787 -3.669 1.00 0.00 O ATOM 553 CG2 THR A 37 4.226 -9.567 -4.086 1.00 0.00 C ATOM 0 H THR A 37 2.818 -8.922 -1.483 1.00 0.00 H new ATOM 0 HA THR A 37 4.004 -6.534 -2.545 1.00 0.00 H new ATOM 0 HB THR A 37 4.850 -9.011 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.426 -8.388 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.038 -10.284 -4.206 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.328 -10.089 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.030 -9.078 -5.040 1.00 0.00 H new ATOM 561 N ALA A 38 1.665 -7.953 -4.278 1.00 0.00 N ATOM 562 CA ALA A 38 0.802 -7.777 -5.434 1.00 0.00 C ATOM 563 C ALA A 38 -0.039 -6.513 -5.249 1.00 0.00 C ATOM 564 O ALA A 38 0.106 -5.551 -6.001 1.00 0.00 O ATOM 565 CB ALA A 38 -0.058 -9.028 -5.624 1.00 0.00 C ATOM 0 H ALA A 38 1.394 -8.715 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 38 1.394 -7.649 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.705 -8.896 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.587 -9.893 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.669 -9.188 -4.736 1.00 0.00 H new ATOM 571 N VAL A 39 -0.902 -6.556 -4.244 1.00 0.00 N ATOM 572 CA VAL A 39 -1.767 -5.426 -3.951 1.00 0.00 C ATOM 573 C VAL A 39 -1.024 -4.126 -4.265 1.00 0.00 C ATOM 574 O VAL A 39 -1.572 -3.234 -4.911 1.00 0.00 O ATOM 575 CB VAL A 39 -2.254 -5.502 -2.502 1.00 0.00 C ATOM 576 CG1 VAL A 39 -1.102 -5.839 -1.554 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.944 -4.201 -2.087 1.00 0.00 C ATOM 0 H VAL A 39 -1.020 -7.356 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.656 -5.452 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.988 -6.306 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.475 -5.887 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.674 -6.803 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.335 -5.068 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.281 -4.281 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.242 -3.372 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.802 -4.021 -2.735 1.00 0.00 H new ATOM 587 N LEU A 40 0.212 -4.059 -3.792 1.00 0.00 N ATOM 588 CA LEU A 40 1.036 -2.883 -4.014 1.00 0.00 C ATOM 589 C LEU A 40 1.037 -2.541 -5.506 1.00 0.00 C ATOM 590 O LEU A 40 0.485 -1.520 -5.913 1.00 0.00 O ATOM 591 CB LEU A 40 2.434 -3.090 -3.429 1.00 0.00 C ATOM 592 CG LEU A 40 3.329 -1.850 -3.377 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.356 -1.961 -2.248 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.993 -1.596 -4.732 1.00 0.00 C ATOM 0 H LEU A 40 0.663 -4.800 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 40 0.621 -2.022 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.329 -3.480 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.942 -3.856 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 40 2.702 -0.986 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.979 -1.067 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.838 -2.058 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.983 -2.837 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.623 -0.709 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.604 -2.457 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.225 -1.441 -5.490 1.00 0.00 H new ATOM 606 N LYS A 41 1.665 -3.415 -6.280 1.00 0.00 N ATOM 607 CA LYS A 41 1.746 -3.218 -7.717 1.00 0.00 C ATOM 608 C LYS A 41 0.358 -2.872 -8.259 1.00 0.00 C ATOM 609 O LYS A 41 0.178 -1.840 -8.903 1.00 0.00 O ATOM 610 CB LYS A 41 2.383 -4.436 -8.389 1.00 0.00 C ATOM 611 CG LYS A 41 3.908 -4.394 -8.269 1.00 0.00 C ATOM 612 CD LYS A 41 4.537 -5.670 -8.832 1.00 0.00 C ATOM 613 CE LYS A 41 5.878 -5.368 -9.506 1.00 0.00 C ATOM 614 NZ LYS A 41 5.680 -5.069 -10.942 1.00 0.00 N ATOM 0 H LYS A 41 2.122 -4.261 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 41 2.398 -2.376 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.004 -5.349 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.098 -4.466 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.295 -3.527 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.191 -4.275 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.684 -6.392 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.859 -6.127 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.356 -4.521 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.548 -6.221 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.599 -4.866 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.244 -5.889 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.058 -4.242 -11.042 1.00 0.00 H new ATOM 628 N PHE A 42 -0.589 -3.756 -7.979 1.00 0.00 N ATOM 629 CA PHE A 42 -1.956 -3.557 -8.430 1.00 0.00 C ATOM 630 C PHE A 42 -2.384 -2.099 -8.256 1.00 0.00 C ATOM 631 O PHE A 42 -2.705 -1.422 -9.232 1.00 0.00 O ATOM 632 CB PHE A 42 -2.848 -4.445 -7.561 1.00 0.00 C ATOM 633 CG PHE A 42 -4.195 -4.789 -8.199 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.052 -3.795 -8.556 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.536 -6.089 -8.410 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.302 -4.114 -9.148 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.786 -6.408 -9.003 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.643 -5.414 -9.359 1.00 0.00 C ATOM 0 H PHE A 42 -0.436 -4.612 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.039 -3.808 -9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.316 -5.370 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.026 -3.943 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.781 -2.763 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.856 -6.878 -8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.983 -3.325 -9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.056 -7.440 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.594 -5.657 -9.809 1.00 0.00 H new ATOM 648 N ALA A 43 -2.375 -1.657 -7.007 1.00 0.00 N ATOM 649 CA ALA A 43 -2.758 -0.292 -6.693 1.00 0.00 C ATOM 650 C ALA A 43 -2.092 0.662 -7.686 1.00 0.00 C ATOM 651 O ALA A 43 -2.773 1.396 -8.400 1.00 0.00 O ATOM 652 CB ALA A 43 -2.385 0.023 -5.242 1.00 0.00 C ATOM 0 H ALA A 43 -2.108 -2.221 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.837 -0.165 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.673 1.048 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.907 -0.663 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.309 -0.091 -5.110 1.00 0.00 H new ATOM 658 N ALA A 44 -0.767 0.621 -7.700 1.00 0.00 N ATOM 659 CA ALA A 44 -0.001 1.472 -8.594 1.00 0.00 C ATOM 660 C ALA A 44 -0.701 1.537 -9.953 1.00 0.00 C ATOM 661 O ALA A 44 -1.182 2.595 -10.358 1.00 0.00 O ATOM 662 CB ALA A 44 1.431 0.944 -8.700 1.00 0.00 C ATOM 0 H ALA A 44 -0.205 0.011 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 44 0.055 2.488 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.006 1.583 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.893 0.946 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.416 -0.073 -9.092 1.00 0.00 H new ATOM 668 N GLU A 45 -0.736 0.393 -10.621 1.00 0.00 N ATOM 669 CA GLU A 45 -1.368 0.307 -11.926 1.00 0.00 C ATOM 670 C GLU A 45 -2.686 1.085 -11.929 1.00 0.00 C ATOM 671 O GLU A 45 -2.924 1.906 -12.813 1.00 0.00 O ATOM 672 CB GLU A 45 -1.591 -1.151 -12.332 1.00 0.00 C ATOM 673 CG GLU A 45 -1.033 -1.423 -13.730 1.00 0.00 C ATOM 674 CD GLU A 45 -2.076 -2.110 -14.613 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.999 -1.396 -15.062 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.927 -3.334 -14.819 1.00 0.00 O ATOM 0 H GLU A 45 -0.337 -0.482 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.701 0.757 -12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.110 -1.811 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.657 -1.379 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.723 -0.485 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.145 -2.050 -13.655 1.00 0.00 H new ATOM 683 N GLU A 46 -3.508 0.798 -10.930 1.00 0.00 N ATOM 684 CA GLU A 46 -4.795 1.460 -10.807 1.00 0.00 C ATOM 685 C GLU A 46 -4.612 2.979 -10.794 1.00 0.00 C ATOM 686 O GLU A 46 -5.297 3.697 -11.521 1.00 0.00 O ATOM 687 CB GLU A 46 -5.538 0.987 -9.556 1.00 0.00 C ATOM 688 CG GLU A 46 -6.547 -0.111 -9.899 1.00 0.00 C ATOM 689 CD GLU A 46 -7.949 0.473 -10.088 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.194 1.557 -9.517 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.743 -0.179 -10.799 1.00 0.00 O ATOM 0 H GLU A 46 -3.307 0.116 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.402 1.194 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.823 0.612 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.054 1.829 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.237 -0.624 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.564 -0.856 -9.104 1.00 0.00 H new ATOM 698 N PHE A 47 -3.684 3.424 -9.960 1.00 0.00 N ATOM 699 CA PHE A 47 -3.402 4.845 -9.842 1.00 0.00 C ATOM 700 C PHE A 47 -2.722 5.375 -11.106 1.00 0.00 C ATOM 701 O PHE A 47 -2.499 6.577 -11.238 1.00 0.00 O ATOM 702 CB PHE A 47 -2.451 5.015 -8.656 1.00 0.00 C ATOM 703 CG PHE A 47 -3.156 5.111 -7.302 1.00 0.00 C ATOM 704 CD1 PHE A 47 -3.621 6.311 -6.861 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.318 3.997 -6.539 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.275 6.400 -5.604 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.973 4.086 -5.282 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.437 5.286 -4.841 1.00 0.00 C ATOM 0 H PHE A 47 -3.117 2.826 -9.359 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.330 5.399 -9.702 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.759 4.173 -8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.854 5.914 -8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.493 7.196 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.948 3.044 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.644 7.353 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.103 3.201 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.934 5.354 -3.885 1.00 0.00 H new ATOM 718 N LYS A 48 -2.411 4.451 -12.004 1.00 0.00 N ATOM 719 CA LYS A 48 -1.761 4.810 -13.253 1.00 0.00 C ATOM 720 C LYS A 48 -0.351 5.328 -12.959 1.00 0.00 C ATOM 721 O LYS A 48 -0.022 6.466 -13.292 1.00 0.00 O ATOM 722 CB LYS A 48 -2.625 5.795 -14.043 1.00 0.00 C ATOM 723 CG LYS A 48 -3.796 5.077 -14.718 1.00 0.00 C ATOM 724 CD LYS A 48 -3.452 4.706 -16.162 1.00 0.00 C ATOM 725 CE LYS A 48 -3.861 3.265 -16.470 1.00 0.00 C ATOM 726 NZ LYS A 48 -5.105 3.239 -17.273 1.00 0.00 N ATOM 0 H LYS A 48 -2.597 3.455 -11.891 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.653 3.933 -13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.004 6.569 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.017 6.295 -14.797 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.047 4.177 -14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.678 5.718 -14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.959 5.386 -16.847 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.381 4.827 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.061 2.762 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.010 2.716 -15.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.368 2.253 -17.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.871 3.701 -16.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.951 3.745 -18.169 1.00 0.00 H new ATOM 740 N VAL A 49 0.443 4.468 -12.338 1.00 0.00 N ATOM 741 CA VAL A 49 1.809 4.824 -11.995 1.00 0.00 C ATOM 742 C VAL A 49 2.737 3.656 -12.334 1.00 0.00 C ATOM 743 O VAL A 49 2.293 2.512 -12.422 1.00 0.00 O ATOM 744 CB VAL A 49 1.888 5.244 -10.526 1.00 0.00 C ATOM 745 CG1 VAL A 49 1.034 6.486 -10.264 1.00 0.00 C ATOM 746 CG2 VAL A 49 1.479 4.092 -9.605 1.00 0.00 C ATOM 0 H VAL A 49 0.166 3.525 -12.064 1.00 0.00 H new ATOM 0 HA VAL A 49 2.138 5.681 -12.582 1.00 0.00 H new ATOM 0 HB VAL A 49 2.925 5.499 -10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.108 6.763 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.391 7.310 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.006 6.271 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.544 4.416 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.455 3.793 -9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.147 3.245 -9.763 1.00 0.00 H new ATOM 756 N PRO A 50 4.041 3.992 -12.520 1.00 0.00 N ATOM 757 CA PRO A 50 5.035 2.984 -12.847 1.00 0.00 C ATOM 758 C PRO A 50 5.391 2.146 -11.618 1.00 0.00 C ATOM 759 O PRO A 50 5.380 2.648 -10.495 1.00 0.00 O ATOM 760 CB PRO A 50 6.219 3.763 -13.398 1.00 0.00 C ATOM 761 CG PRO A 50 6.029 5.196 -12.929 1.00 0.00 C ATOM 762 CD PRO A 50 4.603 5.337 -12.424 1.00 0.00 C ATOM 0 HA PRO A 50 4.675 2.261 -13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.160 3.354 -13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.250 3.709 -14.486 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.739 5.436 -12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.215 5.893 -13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.581 5.703 -11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.037 6.047 -13.028 1.00 0.00 H new ATOM 770 N ALA A 51 5.698 0.882 -11.872 1.00 0.00 N ATOM 771 CA ALA A 51 6.056 -0.031 -10.800 1.00 0.00 C ATOM 772 C ALA A 51 7.534 0.156 -10.449 1.00 0.00 C ATOM 773 O ALA A 51 8.305 -0.802 -10.461 1.00 0.00 O ATOM 774 CB ALA A 51 5.735 -1.466 -11.222 1.00 0.00 C ATOM 0 H ALA A 51 5.706 0.469 -12.805 1.00 0.00 H new ATOM 0 HA ALA A 51 5.474 0.183 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.004 -2.151 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.669 -1.554 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.303 -1.718 -12.117 1.00 0.00 H new ATOM 780 N ALA A 52 7.884 1.397 -10.144 1.00 0.00 N ATOM 781 CA ALA A 52 9.255 1.722 -9.790 1.00 0.00 C ATOM 782 C ALA A 52 9.259 2.889 -8.801 1.00 0.00 C ATOM 783 O ALA A 52 9.933 2.835 -7.773 1.00 0.00 O ATOM 784 CB ALA A 52 10.051 2.031 -11.060 1.00 0.00 C ATOM 0 H ALA A 52 7.242 2.189 -10.135 1.00 0.00 H new ATOM 0 HA ALA A 52 9.736 0.875 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.080 2.275 -10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.042 1.160 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.599 2.878 -11.576 1.00 0.00 H new ATOM 790 N THR A 53 8.499 3.918 -9.146 1.00 0.00 N ATOM 791 CA THR A 53 8.407 5.097 -8.301 1.00 0.00 C ATOM 792 C THR A 53 7.215 4.979 -7.350 1.00 0.00 C ATOM 793 O THR A 53 6.475 5.942 -7.152 1.00 0.00 O ATOM 794 CB THR A 53 8.339 6.326 -9.210 1.00 0.00 C ATOM 795 OG1 THR A 53 7.253 6.048 -10.090 1.00 0.00 O ATOM 796 CG2 THR A 53 9.551 6.436 -10.137 1.00 0.00 C ATOM 0 H THR A 53 7.941 3.960 -9.999 1.00 0.00 H new ATOM 0 HA THR A 53 9.285 5.195 -7.662 1.00 0.00 H new ATOM 0 HB THR A 53 8.266 7.226 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.034 6.853 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.453 7.325 -10.760 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.460 6.510 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.605 5.552 -10.772 1.00 0.00 H new ATOM 804 N SER A 54 7.065 3.789 -6.785 1.00 0.00 N ATOM 805 CA SER A 54 5.975 3.533 -5.859 1.00 0.00 C ATOM 806 C SER A 54 6.488 2.741 -4.654 1.00 0.00 C ATOM 807 O SER A 54 7.349 1.874 -4.798 1.00 0.00 O ATOM 808 CB SER A 54 4.836 2.777 -6.545 1.00 0.00 C ATOM 809 OG SER A 54 4.994 1.364 -6.443 1.00 0.00 O ATOM 0 H SER A 54 7.680 2.992 -6.951 1.00 0.00 H new ATOM 0 HA SER A 54 5.584 4.491 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.886 3.069 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.793 3.062 -7.596 1.00 0.00 H new ATOM 0 HG SER A 54 4.246 0.918 -6.892 1.00 0.00 H new ATOM 815 N ALA A 55 5.937 3.066 -3.494 1.00 0.00 N ATOM 816 CA ALA A 55 6.328 2.396 -2.266 1.00 0.00 C ATOM 817 C ALA A 55 5.271 2.655 -1.190 1.00 0.00 C ATOM 818 O ALA A 55 5.021 3.803 -0.824 1.00 0.00 O ATOM 819 CB ALA A 55 7.719 2.874 -1.844 1.00 0.00 C ATOM 0 H ALA A 55 5.223 3.785 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 55 6.386 1.318 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.012 2.371 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.438 2.641 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.699 3.951 -1.679 1.00 0.00 H new ATOM 825 N ILE A 56 4.678 1.570 -0.714 1.00 0.00 N ATOM 826 CA ILE A 56 3.654 1.665 0.312 1.00 0.00 C ATOM 827 C ILE A 56 4.312 1.592 1.691 1.00 0.00 C ATOM 828 O ILE A 56 4.948 0.594 2.027 1.00 0.00 O ATOM 829 CB ILE A 56 2.572 0.607 0.089 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.841 0.840 -1.234 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.607 0.551 1.276 1.00 0.00 C ATOM 832 CD1 ILE A 56 0.830 -0.276 -1.506 1.00 0.00 C ATOM 0 H ILE A 56 4.887 0.620 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 56 3.143 2.626 0.253 1.00 0.00 H new ATOM 0 HB ILE A 56 3.056 -0.367 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.328 1.801 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.563 0.888 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.848 -0.209 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.159 0.301 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.126 1.521 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.324 -0.086 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.349 -1.233 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.095 -0.305 -0.701 1.00 0.00 H new ATOM 844 N ILE A 57 4.137 2.662 2.453 1.00 0.00 N ATOM 845 CA ILE A 57 4.705 2.731 3.788 1.00 0.00 C ATOM 846 C ILE A 57 3.580 2.912 4.809 1.00 0.00 C ATOM 847 O ILE A 57 2.674 3.719 4.602 1.00 0.00 O ATOM 848 CB ILE A 57 5.779 3.819 3.857 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.193 5.190 3.514 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.974 3.467 2.969 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.118 6.314 3.984 1.00 0.00 C ATOM 0 H ILE A 57 3.610 3.488 2.171 1.00 0.00 H new ATOM 0 HA ILE A 57 5.212 1.798 4.035 1.00 0.00 H new ATOM 0 HB ILE A 57 6.145 3.873 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.041 5.266 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.215 5.299 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.722 4.257 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.409 2.525 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.643 3.369 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.678 7.278 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.249 6.250 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.087 6.216 3.495 1.00 0.00 H new ATOM 863 N THR A 58 3.674 2.149 5.887 1.00 0.00 N ATOM 864 CA THR A 58 2.675 2.215 6.940 1.00 0.00 C ATOM 865 C THR A 58 3.033 3.309 7.948 1.00 0.00 C ATOM 866 O THR A 58 4.127 3.870 7.898 1.00 0.00 O ATOM 867 CB THR A 58 2.557 0.825 7.569 1.00 0.00 C ATOM 868 OG1 THR A 58 1.845 1.052 8.782 1.00 0.00 O ATOM 869 CG2 THR A 58 3.909 0.274 8.027 1.00 0.00 C ATOM 0 H THR A 58 4.427 1.481 6.055 1.00 0.00 H new ATOM 0 HA THR A 58 1.699 2.491 6.541 1.00 0.00 H new ATOM 0 HB THR A 58 2.109 0.138 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.345 0.245 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.769 -0.714 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.580 0.200 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.342 0.943 8.770 1.00 0.00 H new ATOM 877 N ASN A 59 2.091 3.580 8.839 1.00 0.00 N ATOM 878 CA ASN A 59 2.294 4.597 9.857 1.00 0.00 C ATOM 879 C ASN A 59 3.480 4.201 10.739 1.00 0.00 C ATOM 880 O ASN A 59 3.303 3.548 11.766 1.00 0.00 O ATOM 881 CB ASN A 59 1.062 4.732 10.754 1.00 0.00 C ATOM 882 CG ASN A 59 -0.178 5.088 9.932 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.098 5.625 8.840 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.327 4.759 10.517 1.00 0.00 N ATOM 0 H ASN A 59 1.185 3.113 8.877 1.00 0.00 H new ATOM 0 HA ASN A 59 2.479 5.546 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.892 3.797 11.288 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.238 5.501 11.506 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.212 4.955 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.323 4.311 11.433 1.00 0.00 H new ATOM 891 N ASP A 60 4.662 4.612 10.305 1.00 0.00 N ATOM 892 CA ASP A 60 5.877 4.308 11.042 1.00 0.00 C ATOM 893 C ASP A 60 7.090 4.571 10.148 1.00 0.00 C ATOM 894 O ASP A 60 8.161 4.926 10.637 1.00 0.00 O ATOM 895 CB ASP A 60 5.911 2.839 11.466 1.00 0.00 C ATOM 896 CG ASP A 60 6.002 2.603 12.975 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.388 3.403 13.713 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.685 1.628 13.357 1.00 0.00 O ATOM 0 H ASP A 60 4.805 5.153 9.452 1.00 0.00 H new ATOM 0 HA ASP A 60 5.900 4.940 11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.014 2.347 11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.763 2.358 10.986 1.00 0.00 H new ATOM 903 N GLY A 61 6.881 4.385 8.852 1.00 0.00 N ATOM 904 CA GLY A 61 7.945 4.597 7.885 1.00 0.00 C ATOM 905 C GLY A 61 8.602 3.272 7.493 1.00 0.00 C ATOM 906 O GLY A 61 9.825 3.148 7.526 1.00 0.00 O ATOM 0 H GLY A 61 5.991 4.090 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.542 5.084 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.694 5.268 8.305 1.00 0.00 H new ATOM 910 N ILE A 62 7.760 2.316 7.131 1.00 0.00 N ATOM 911 CA ILE A 62 8.243 1.004 6.733 1.00 0.00 C ATOM 912 C ILE A 62 7.632 0.629 5.382 1.00 0.00 C ATOM 913 O ILE A 62 6.415 0.500 5.261 1.00 0.00 O ATOM 914 CB ILE A 62 7.976 -0.022 7.836 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.629 0.403 9.152 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.419 -1.421 7.401 1.00 0.00 C ATOM 917 CD1 ILE A 62 8.122 -0.449 10.317 1.00 0.00 C ATOM 0 H ILE A 62 6.746 2.423 7.105 1.00 0.00 H new ATOM 0 HA ILE A 62 9.325 1.020 6.600 1.00 0.00 H new ATOM 0 HB ILE A 62 6.901 -0.064 8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.712 0.308 9.072 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.415 1.454 9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.218 -2.132 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.868 -1.716 6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.487 -1.413 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.602 -0.126 11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.042 -0.333 10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.360 -1.497 10.132 1.00 0.00 H new ATOM 929 N GLY A 63 8.505 0.464 4.399 1.00 0.00 N ATOM 930 CA GLY A 63 8.067 0.106 3.061 1.00 0.00 C ATOM 931 C GLY A 63 7.294 -1.215 3.072 1.00 0.00 C ATOM 932 O GLY A 63 6.629 -1.557 2.096 1.00 0.00 O ATOM 0 H GLY A 63 9.514 0.572 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.436 0.898 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.931 0.020 2.402 1.00 0.00 H new ATOM 936 N ILE A 64 7.409 -1.921 4.187 1.00 0.00 N ATOM 937 CA ILE A 64 6.730 -3.197 4.338 1.00 0.00 C ATOM 938 C ILE A 64 7.480 -4.267 3.543 1.00 0.00 C ATOM 939 O ILE A 64 7.968 -4.002 2.445 1.00 0.00 O ATOM 940 CB ILE A 64 5.254 -3.067 3.954 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.645 -1.791 4.539 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.470 -4.316 4.361 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.155 -1.692 4.205 1.00 0.00 C ATOM 0 H ILE A 64 7.962 -1.634 4.994 1.00 0.00 H new ATOM 0 HA ILE A 64 6.738 -3.511 5.382 1.00 0.00 H new ATOM 0 HB ILE A 64 5.189 -2.986 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.780 -1.782 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.168 -0.920 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.424 -4.198 4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.887 -5.188 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.539 -4.454 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.746 -0.776 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.025 -1.677 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.631 -2.552 4.622 1.00 0.00 H new ATOM 955 N ASN A 65 7.550 -5.453 4.128 1.00 0.00 N ATOM 956 CA ASN A 65 8.233 -6.565 3.488 1.00 0.00 C ATOM 957 C ASN A 65 7.235 -7.698 3.241 1.00 0.00 C ATOM 958 O ASN A 65 6.647 -8.228 4.183 1.00 0.00 O ATOM 959 CB ASN A 65 9.355 -7.107 4.376 1.00 0.00 C ATOM 960 CG ASN A 65 10.319 -7.979 3.570 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.035 -9.117 3.233 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.473 -7.384 3.282 1.00 0.00 N ATOM 0 H ASN A 65 7.145 -5.669 5.039 1.00 0.00 H new ATOM 0 HA ASN A 65 8.657 -6.205 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.900 -6.277 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.928 -7.689 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.185 -7.883 2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.646 -6.429 3.595 1.00 0.00 H new ATOM 969 N PRO A 66 7.070 -8.044 1.937 1.00 0.00 N ATOM 970 CA PRO A 66 6.153 -9.105 1.554 1.00 0.00 C ATOM 971 C PRO A 66 6.738 -10.480 1.882 1.00 0.00 C ATOM 972 O PRO A 66 6.791 -11.357 1.021 1.00 0.00 O ATOM 973 CB PRO A 66 5.913 -8.900 0.067 1.00 0.00 C ATOM 974 CG PRO A 66 7.057 -8.027 -0.423 1.00 0.00 C ATOM 975 CD PRO A 66 7.750 -7.438 0.795 1.00 0.00 C ATOM 0 HA PRO A 66 5.213 -9.068 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.895 -9.853 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.951 -8.419 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.759 -8.615 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.682 -7.234 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.814 -7.673 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.663 -6.352 0.813 1.00 0.00 H new ATOM 983 N ALA A 67 7.164 -10.625 3.128 1.00 0.00 N ATOM 984 CA ALA A 67 7.743 -11.879 3.580 1.00 0.00 C ATOM 985 C ALA A 67 6.621 -12.841 3.975 1.00 0.00 C ATOM 986 O ALA A 67 6.803 -14.057 3.948 1.00 0.00 O ATOM 987 CB ALA A 67 8.712 -11.607 4.733 1.00 0.00 C ATOM 0 H ALA A 67 7.120 -9.895 3.839 1.00 0.00 H new ATOM 0 HA ALA A 67 8.313 -12.350 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.147 -12.547 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.506 -10.942 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.175 -11.137 5.557 1.00 0.00 H new ATOM 993 N GLN A 68 5.486 -12.260 4.333 1.00 0.00 N ATOM 994 CA GLN A 68 4.334 -13.051 4.733 1.00 0.00 C ATOM 995 C GLN A 68 3.139 -12.744 3.828 1.00 0.00 C ATOM 996 O GLN A 68 3.267 -12.003 2.855 1.00 0.00 O ATOM 997 CB GLN A 68 3.986 -12.807 6.203 1.00 0.00 C ATOM 998 CG GLN A 68 3.966 -11.311 6.521 1.00 0.00 C ATOM 999 CD GLN A 68 5.216 -10.900 7.302 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.719 -11.625 8.145 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.688 -9.700 6.976 1.00 0.00 N ATOM 0 H GLN A 68 5.339 -11.251 4.355 1.00 0.00 H new ATOM 0 HA GLN A 68 4.586 -14.106 4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.012 -13.243 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.714 -13.308 6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.907 -10.739 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.075 -11.071 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.219 -9.144 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.519 -9.335 7.441 1.00 0.00 H new ATOM 1010 N THR A 69 2.005 -13.330 4.181 1.00 0.00 N ATOM 1011 CA THR A 69 0.788 -13.129 3.413 1.00 0.00 C ATOM 1012 C THR A 69 0.225 -11.728 3.663 1.00 0.00 C ATOM 1013 O THR A 69 0.424 -11.157 4.734 1.00 0.00 O ATOM 1014 CB THR A 69 -0.190 -14.249 3.773 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.581 -13.952 5.111 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.496 -15.613 3.881 1.00 0.00 C ATOM 0 H THR A 69 1.903 -13.944 4.989 1.00 0.00 H new ATOM 0 HA THR A 69 0.984 -13.181 2.342 1.00 0.00 H new ATOM 0 HB THR A 69 -0.979 -14.297 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.217 -14.629 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.242 -16.372 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.958 -15.865 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.262 -15.575 4.655 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.467 -11.215 2.656 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.059 -9.892 2.753 1.00 0.00 C ATOM 1026 C ALA A 70 -1.790 -9.762 4.091 1.00 0.00 C ATOM 1027 O ALA A 70 -1.550 -8.819 4.844 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.986 -9.659 1.558 1.00 0.00 C ATOM 0 H ALA A 70 -0.631 -11.692 1.769 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.287 -9.123 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.430 -8.666 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.414 -9.734 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.775 -10.411 1.558 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.666 -10.722 4.347 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.432 -10.727 5.581 1.00 0.00 C ATOM 1036 C GLY A 71 -2.508 -10.690 6.800 1.00 0.00 C ATOM 1037 O GLY A 71 -2.925 -10.292 7.887 1.00 0.00 O ATOM 0 H GLY A 71 -2.862 -11.502 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.101 -9.867 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.058 -11.619 5.621 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.272 -11.110 6.578 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.286 -11.130 7.645 1.00 0.00 C ATOM 1043 C ASN A 72 0.541 -9.844 7.594 1.00 0.00 C ATOM 1044 O ASN A 72 1.208 -9.492 8.566 1.00 0.00 O ATOM 1045 CB ASN A 72 0.671 -12.314 7.489 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.007 -13.625 7.892 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.218 -13.717 8.008 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.839 -14.630 8.100 1.00 0.00 N ATOM 0 H ASN A 72 -0.930 -11.439 5.675 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.817 -11.218 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.009 -12.379 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.556 -12.154 8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.485 -15.546 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.842 -14.484 7.985 1.00 0.00 H new ATOM 1055 N VAL A 73 0.470 -9.178 6.451 1.00 0.00 N ATOM 1056 CA VAL A 73 1.204 -7.938 6.261 1.00 0.00 C ATOM 1057 C VAL A 73 0.312 -6.758 6.650 1.00 0.00 C ATOM 1058 O VAL A 73 0.745 -5.858 7.369 1.00 0.00 O ATOM 1059 CB VAL A 73 1.718 -7.850 4.822 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.371 -6.492 4.556 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.687 -8.994 4.516 1.00 0.00 C ATOM 0 H VAL A 73 -0.084 -9.473 5.647 1.00 0.00 H new ATOM 0 HA VAL A 73 2.081 -7.910 6.908 1.00 0.00 H new ATOM 0 HB VAL A 73 0.863 -7.947 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.728 -6.455 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.640 -5.699 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.211 -6.353 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.038 -8.909 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.538 -8.941 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.177 -9.948 4.647 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.918 -6.799 6.159 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.875 -5.744 6.446 1.00 0.00 C ATOM 1073 C PHE A 74 -2.302 -5.777 7.915 1.00 0.00 C ATOM 1074 O PHE A 74 -2.948 -4.849 8.398 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.099 -5.998 5.565 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.258 -6.683 6.293 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.059 -7.873 6.920 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.487 -6.101 6.312 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.135 -8.508 7.596 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.563 -6.736 6.987 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.364 -7.926 7.615 1.00 0.00 C ATOM 0 H PHE A 74 -1.274 -7.547 5.564 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.427 -4.771 6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.448 -5.047 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.802 -6.614 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.083 -8.335 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.645 -5.156 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.977 -9.453 8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.539 -6.274 7.002 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.182 -8.409 8.129 1.00 0.00 H new ATOM 1091 N LEU A 75 -1.924 -6.856 8.584 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.260 -7.022 9.988 1.00 0.00 C ATOM 1093 C LEU A 75 -1.128 -6.459 10.849 1.00 0.00 C ATOM 1094 O LEU A 75 -1.373 -5.692 11.779 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.593 -8.485 10.290 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.245 -8.758 11.647 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.761 -8.901 11.507 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.613 -9.977 12.323 1.00 0.00 C ATOM 0 H LEU A 75 -1.388 -7.624 8.180 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.159 -6.457 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.258 -8.854 9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.673 -9.067 10.227 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.061 -7.900 12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.200 -9.095 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.177 -7.980 11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.988 -9.730 10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.094 -10.149 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.745 -10.854 11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.549 -9.797 12.476 1.00 0.00 H new ATOM 1110 N LYS A 76 0.088 -6.860 10.508 1.00 0.00 N ATOM 1111 CA LYS A 76 1.259 -6.405 11.239 1.00 0.00 C ATOM 1112 C LYS A 76 1.527 -4.938 10.899 1.00 0.00 C ATOM 1113 O LYS A 76 2.070 -4.197 11.718 1.00 0.00 O ATOM 1114 CB LYS A 76 2.450 -7.326 10.970 1.00 0.00 C ATOM 1115 CG LYS A 76 3.015 -7.096 9.567 1.00 0.00 C ATOM 1116 CD LYS A 76 4.532 -7.300 9.546 1.00 0.00 C ATOM 1117 CE LYS A 76 4.908 -8.670 10.115 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.356 -8.726 10.414 1.00 0.00 N ATOM 0 H LYS A 76 0.288 -7.495 9.735 1.00 0.00 H new ATOM 0 HA LYS A 76 1.082 -6.457 12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.227 -7.147 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.141 -8.366 11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.543 -7.782 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.776 -6.085 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.900 -7.213 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.016 -6.515 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.335 -8.863 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.647 -9.451 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.595 -9.662 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.897 -8.562 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.595 -7.993 11.112 1.00 0.00 H new ATOM 1132 N HIS A 77 1.135 -4.561 9.691 1.00 0.00 N ATOM 1133 CA HIS A 77 1.327 -3.196 9.234 1.00 0.00 C ATOM 1134 C HIS A 77 0.020 -2.415 9.387 1.00 0.00 C ATOM 1135 O HIS A 77 0.007 -1.325 9.957 1.00 0.00 O ATOM 1136 CB HIS A 77 1.866 -3.173 7.802 1.00 0.00 C ATOM 1137 CG HIS A 77 3.242 -3.777 7.655 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.405 -3.055 7.859 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.629 -5.043 7.323 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.438 -3.858 7.656 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.955 -5.090 7.323 1.00 0.00 N ATOM 0 H HIS A 77 0.685 -5.178 9.015 1.00 0.00 H new ATOM 0 HA HIS A 77 2.079 -2.705 9.852 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.173 -3.711 7.155 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.894 -2.141 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.968 -5.867 7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.480 -3.586 7.739 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.520 -5.912 7.109 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.048 -3.003 8.867 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.357 -2.376 8.939 1.00 0.00 C ATOM 1151 C GLY A 78 -2.992 -2.272 7.551 1.00 0.00 C ATOM 1152 O GLY A 78 -2.351 -2.577 6.547 1.00 0.00 O ATOM 0 H GLY A 78 -1.033 -3.907 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.005 -2.954 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.264 -1.382 9.376 1.00 0.00 H new ATOM 1156 N SER A 79 -4.245 -1.841 7.540 1.00 0.00 N ATOM 1157 CA SER A 79 -4.974 -1.694 6.292 1.00 0.00 C ATOM 1158 C SER A 79 -4.741 -0.298 5.711 1.00 0.00 C ATOM 1159 O SER A 79 -4.628 -0.138 4.497 1.00 0.00 O ATOM 1160 CB SER A 79 -6.470 -1.941 6.495 1.00 0.00 C ATOM 1161 OG SER A 79 -7.077 -0.921 7.285 1.00 0.00 O ATOM 0 H SER A 79 -4.774 -1.589 8.375 1.00 0.00 H new ATOM 0 HA SER A 79 -4.602 -2.440 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.964 -1.991 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.616 -2.908 6.977 1.00 0.00 H new ATOM 0 HG SER A 79 -8.032 -1.114 7.390 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.675 0.677 6.606 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.457 2.054 6.197 1.00 0.00 C ATOM 1169 C GLU A 80 -2.960 2.335 6.053 1.00 0.00 C ATOM 1170 O GLU A 80 -2.205 2.204 7.015 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.104 3.028 7.185 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.631 2.944 7.117 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.275 4.221 7.661 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.101 4.472 8.873 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.926 4.916 6.853 1.00 0.00 O ATOM 0 H GLU A 80 -4.769 0.541 7.612 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.930 2.203 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.768 2.802 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.782 4.045 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.944 2.785 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.977 2.085 7.691 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.576 2.714 4.843 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.183 3.014 4.560 1.00 0.00 C ATOM 1184 C LEU A 81 -1.107 4.109 3.494 1.00 0.00 C ATOM 1185 O LEU A 81 -2.116 4.453 2.880 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.426 1.738 4.185 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.999 0.431 4.737 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.557 -0.763 3.888 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.634 0.252 6.212 1.00 0.00 C ATOM 0 H LEU A 81 -3.205 2.820 4.047 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.689 3.401 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.392 1.666 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.603 1.835 4.531 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.086 0.483 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.978 -1.679 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.909 -0.632 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.531 -0.829 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.053 -0.685 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.451 0.230 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.039 1.083 6.790 1.00 0.00 H new ATOM 1201 N ARG A 82 0.098 4.626 3.307 1.00 0.00 N ATOM 1202 CA ARG A 82 0.318 5.675 2.326 1.00 0.00 C ATOM 1203 C ARG A 82 1.346 5.223 1.287 1.00 0.00 C ATOM 1204 O ARG A 82 2.388 4.672 1.638 1.00 0.00 O ATOM 1205 CB ARG A 82 0.811 6.960 2.995 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.224 7.495 3.986 1.00 0.00 C ATOM 1207 CD ARG A 82 0.355 7.565 5.400 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.740 7.624 6.394 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.443 8.730 6.673 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.170 9.876 6.035 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.420 8.689 7.590 1.00 0.00 N ATOM 0 H ARG A 82 0.932 4.338 3.818 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.635 5.876 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.750 6.767 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.016 7.714 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.552 8.487 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.104 6.852 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.982 6.693 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.993 8.443 5.497 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.974 6.769 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.427 9.907 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.705 10.718 6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.628 7.816 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.955 9.531 7.803 1.00 0.00 H new ATOM 1225 N ILE A 83 1.016 5.473 0.028 1.00 0.00 N ATOM 1226 CA ILE A 83 1.897 5.098 -1.065 1.00 0.00 C ATOM 1227 C ILE A 83 2.760 6.300 -1.454 1.00 0.00 C ATOM 1228 O ILE A 83 2.247 7.302 -1.951 1.00 0.00 O ATOM 1229 CB ILE A 83 1.091 4.517 -2.229 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.931 3.529 -3.039 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.512 5.631 -3.104 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.040 2.601 -3.867 1.00 0.00 C ATOM 0 H ILE A 83 0.151 5.931 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 83 2.576 4.305 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 83 0.249 3.960 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.606 4.075 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.552 2.938 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.056 5.192 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.145 6.261 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.324 6.235 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.663 1.909 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.384 2.039 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.438 3.194 -4.556 1.00 0.00 H new ATOM 1244 N ILE A 84 4.055 6.161 -1.213 1.00 0.00 N ATOM 1245 CA ILE A 84 4.994 7.224 -1.532 1.00 0.00 C ATOM 1246 C ILE A 84 5.834 6.809 -2.742 1.00 0.00 C ATOM 1247 O ILE A 84 5.986 5.621 -3.019 1.00 0.00 O ATOM 1248 CB ILE A 84 5.826 7.591 -0.302 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.805 6.470 0.053 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.925 7.960 0.878 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.203 6.770 -0.492 1.00 0.00 C ATOM 0 H ILE A 84 4.477 5.329 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 84 4.461 8.133 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 84 6.420 8.473 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.851 6.351 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.446 5.526 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.541 8.217 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.304 8.814 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.287 7.112 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.879 5.958 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.158 6.864 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.569 7.702 -0.062 1.00 0.00 H new ATOM 1263 N PRO A 85 6.373 7.840 -3.447 1.00 0.00 N ATOM 1264 CA PRO A 85 7.195 7.595 -4.620 1.00 0.00 C ATOM 1265 C PRO A 85 8.585 7.095 -4.222 1.00 0.00 C ATOM 1266 O PRO A 85 9.372 7.839 -3.639 1.00 0.00 O ATOM 1267 CB PRO A 85 7.230 8.922 -5.360 1.00 0.00 C ATOM 1268 CG PRO A 85 6.819 9.976 -4.345 1.00 0.00 C ATOM 1269 CD PRO A 85 6.215 9.260 -3.148 1.00 0.00 C ATOM 0 HA PRO A 85 6.792 6.809 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.227 9.125 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.549 8.913 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.681 10.569 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.097 10.665 -4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.728 9.530 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.165 9.523 -3.018 1.00 0.00 H new ATOM 1277 N ARG A 86 8.844 5.838 -4.552 1.00 0.00 N ATOM 1278 CA ARG A 86 10.125 5.231 -4.235 1.00 0.00 C ATOM 1279 C ARG A 86 11.210 5.757 -5.178 1.00 0.00 C ATOM 1280 O ARG A 86 10.918 6.155 -6.305 1.00 0.00 O ATOM 1281 CB ARG A 86 10.055 3.707 -4.350 1.00 0.00 C ATOM 1282 CG ARG A 86 11.181 3.045 -3.552 1.00 0.00 C ATOM 1283 CD ARG A 86 10.911 3.130 -2.049 1.00 0.00 C ATOM 1284 NE ARG A 86 12.138 3.552 -1.337 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.161 3.979 -0.068 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.024 4.044 0.638 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.322 4.341 0.496 1.00 0.00 N ATOM 0 H ARG A 86 8.189 5.224 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 86 10.372 5.496 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.090 3.355 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.126 3.414 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.277 2.001 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.129 3.531 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.106 3.839 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.579 2.161 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 86 13.022 3.515 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.141 3.768 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.042 4.369 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.187 4.291 -0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.340 4.666 1.463 1.00 0.00 H new