USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 27 GLN : amide:sc= 0.21 K(o=-2.4,f=-4.3) USER MOD Set 1.2: A 110 CYS SG : rot 174:sc= -2.62! USER MOD Set 2.1: A 103 CYS SG : rot 19:sc= 0.0826 USER MOD Set 2.2: A 104 GLN : amide:sc= -0.503 K(o=-0.42,f=-2.3) USER MOD Set 3.1: A 87 THR OG1 : rot -155:sc= 0.791 USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= 1.02 F(o=-0.54,f=1.8) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -48:sc= 0.97 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.3) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.65 K(o=-1.6,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -87:sc= 0.317 USER MOD Single : A 46 ASN : amide:sc= -10.2! C(o=-10!,f=-17!) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -0.494 (180deg=-1.52!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -7.43! (180deg=-12.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 59 THR OG1 : rot -49:sc= 0.71 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.21 (180deg=-1.13) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 45:sc= 0.0762 USER MOD Single : A 74 ASN : amide:sc= 0.00893 X(o=0.0089,f=-0.46) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.698 X(o=-0.7,f=-1) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0367 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.484 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 1.168 2.338 -15.929 1.00 0.00 N ATOM 172 CA LYS A 13 1.964 2.692 -14.776 1.00 0.00 C ATOM 173 C LYS A 13 1.213 2.578 -13.453 1.00 0.00 C ATOM 174 O LYS A 13 1.253 3.460 -12.609 1.00 0.00 O ATOM 175 CB LYS A 13 2.432 4.112 -14.976 1.00 0.00 C ATOM 176 CG LYS A 13 3.525 4.275 -15.962 1.00 0.00 C ATOM 177 CD LYS A 13 4.537 3.196 -15.982 1.00 0.00 C ATOM 178 CE LYS A 13 5.801 3.522 -16.759 1.00 0.00 C ATOM 179 NZ LYS A 13 5.616 3.332 -18.194 1.00 0.00 N ATOM 0 HA LYS A 13 2.793 1.988 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.583 4.718 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.766 4.508 -14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.084 4.353 -16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.031 5.219 -15.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.811 2.955 -14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.085 2.301 -16.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.093 4.554 -16.563 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.616 2.888 -16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.499 3.564 -18.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.362 2.341 -18.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.855 3.955 -18.531 1.00 0.00 H new ATOM 193 N TRP A 14 0.597 1.401 -13.306 1.00 0.00 N ATOM 194 CA TRP A 14 -0.138 1.100 -12.077 1.00 0.00 C ATOM 195 C TRP A 14 0.146 -0.361 -11.732 1.00 0.00 C ATOM 196 O TRP A 14 0.551 -0.652 -10.620 1.00 0.00 O ATOM 197 CB TRP A 14 -1.639 1.465 -12.109 1.00 0.00 C ATOM 198 CG TRP A 14 -2.602 0.492 -12.779 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.314 0.768 -13.939 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.088 -0.791 -12.319 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.187 -0.240 -14.205 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.087 -1.226 -13.223 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.762 -1.569 -11.242 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.726 -2.429 -12.994 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.398 -2.784 -11.035 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.375 -3.215 -11.910 1.00 0.00 C ATOM 0 H TRP A 14 0.592 0.658 -14.005 1.00 0.00 H new ATOM 0 HA TRP A 14 0.219 1.748 -11.277 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.970 1.605 -11.080 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.737 2.428 -12.609 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.192 1.655 -14.543 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.821 -0.271 -15.004 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.004 -1.235 -10.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.505 -2.759 -13.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.128 -3.395 -10.186 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.865 -4.164 -11.749 1.00 0.00 H new ATOM 217 N PHE A 15 -0.022 -1.254 -12.733 1.00 0.00 N ATOM 218 CA PHE A 15 0.284 -2.661 -12.489 1.00 0.00 C ATOM 219 C PHE A 15 1.792 -2.857 -12.765 1.00 0.00 C ATOM 220 O PHE A 15 2.185 -3.266 -13.850 1.00 0.00 O ATOM 221 CB PHE A 15 -0.582 -3.565 -13.397 1.00 0.00 C ATOM 222 CG PHE A 15 -0.332 -5.043 -13.183 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.361 -5.594 -11.898 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.050 -5.878 -14.271 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.093 -6.952 -11.716 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.215 -7.231 -14.083 1.00 0.00 C ATOM 227 CZ PHE A 15 0.195 -7.767 -12.805 1.00 0.00 C ATOM 0 H PHE A 15 -0.353 -1.031 -13.672 1.00 0.00 H new ATOM 0 HA PHE A 15 0.056 -2.939 -11.460 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.635 -3.351 -13.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.384 -3.317 -14.440 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.590 -4.970 -11.047 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.038 -5.466 -15.269 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.110 -7.373 -10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.436 -7.862 -14.931 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.403 -8.816 -12.655 1.00 0.00 H new ATOM 237 N PHE A 16 2.607 -2.575 -11.718 1.00 0.00 N ATOM 238 CA PHE A 16 4.067 -2.697 -11.859 1.00 0.00 C ATOM 239 C PHE A 16 4.479 -4.072 -11.308 1.00 0.00 C ATOM 240 O PHE A 16 3.769 -4.696 -10.534 1.00 0.00 O ATOM 241 CB PHE A 16 4.818 -1.519 -11.142 1.00 0.00 C ATOM 242 CG PHE A 16 5.681 -0.716 -12.098 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.138 -0.180 -13.272 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.041 -0.516 -11.840 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.936 0.521 -14.175 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.836 0.177 -12.755 1.00 0.00 C ATOM 247 CZ PHE A 16 7.285 0.698 -13.917 1.00 0.00 C ATOM 0 H PHE A 16 2.286 -2.272 -10.799 1.00 0.00 H new ATOM 0 HA PHE A 16 4.350 -2.626 -12.909 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.088 -0.859 -10.673 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.442 -1.922 -10.344 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.087 -0.311 -13.481 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.478 -0.899 -10.930 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.502 0.926 -15.077 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.889 0.309 -12.557 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.905 1.239 -14.617 1.00 0.00 H new ATOM 257 N ARG A 17 5.695 -4.484 -11.713 1.00 0.00 N ATOM 258 CA ARG A 17 6.193 -5.803 -11.304 1.00 0.00 C ATOM 259 C ARG A 17 6.736 -5.748 -9.861 1.00 0.00 C ATOM 260 O ARG A 17 6.260 -4.972 -9.046 1.00 0.00 O ATOM 261 CB ARG A 17 7.283 -6.222 -12.326 1.00 0.00 C ATOM 262 CG ARG A 17 6.697 -6.978 -13.521 1.00 0.00 C ATOM 263 CD ARG A 17 7.779 -7.587 -14.422 1.00 0.00 C ATOM 264 NE ARG A 17 8.696 -6.558 -14.909 1.00 0.00 N ATOM 265 CZ ARG A 17 8.416 -5.783 -15.975 1.00 0.00 C ATOM 266 NH1 ARG A 17 7.279 -5.927 -16.642 1.00 0.00 N ATOM 267 NH2 ARG A 17 9.287 -4.865 -16.367 1.00 0.00 N ATOM 0 H ARG A 17 6.328 -3.943 -12.302 1.00 0.00 H new ATOM 0 HA ARG A 17 5.394 -6.545 -11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.806 -5.334 -12.681 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.023 -6.850 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.042 -7.771 -13.159 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.080 -6.299 -14.109 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.336 -8.342 -13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.311 -8.092 -15.267 1.00 0.00 H new ATOM 0 HE ARG A 17 9.582 -6.421 -14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.602 -6.632 -16.350 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.081 -5.333 -17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.166 -4.747 -15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.079 -4.276 -17.173 1.00 0.00 H new ATOM 281 N THR A 18 7.697 -6.639 -9.565 1.00 0.00 N ATOM 282 CA THR A 18 8.321 -6.682 -8.263 1.00 0.00 C ATOM 283 C THR A 18 9.571 -5.798 -8.298 1.00 0.00 C ATOM 284 O THR A 18 10.713 -6.239 -8.277 1.00 0.00 O ATOM 285 CB THR A 18 8.758 -8.114 -7.818 1.00 0.00 C ATOM 286 OG1 THR A 18 9.922 -8.208 -6.939 1.00 0.00 O ATOM 287 CG2 THR A 18 8.730 -9.167 -8.965 1.00 0.00 C ATOM 0 H THR A 18 8.049 -7.335 -10.223 1.00 0.00 H new ATOM 0 HA THR A 18 7.577 -6.335 -7.546 1.00 0.00 H new ATOM 0 HB THR A 18 7.953 -8.399 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.647 -7.654 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.046 -10.136 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.717 -9.247 -9.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.407 -8.856 -9.761 1.00 0.00 H new ATOM 295 N ILE A 19 9.259 -4.499 -8.431 1.00 0.00 N ATOM 296 CA ILE A 19 10.327 -3.525 -8.393 1.00 0.00 C ATOM 297 C ILE A 19 10.786 -3.420 -6.936 1.00 0.00 C ATOM 298 O ILE A 19 10.064 -3.775 -6.011 1.00 0.00 O ATOM 299 CB ILE A 19 9.824 -2.180 -8.919 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.944 -1.341 -9.529 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.990 -1.405 -7.902 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.447 0.053 -9.945 1.00 0.00 C ATOM 0 H ILE A 19 8.319 -4.125 -8.559 1.00 0.00 H new ATOM 0 HA ILE A 19 11.163 -3.824 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 19 9.137 -2.417 -9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.756 -1.238 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.353 -1.856 -10.398 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.666 -0.461 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.117 -1.994 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.591 -1.205 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.273 0.620 -10.375 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.653 -0.050 -10.685 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.062 0.578 -9.071 1.00 0.00 H new ATOM 314 N SER A 20 12.017 -2.911 -6.779 1.00 0.00 N ATOM 315 CA SER A 20 12.513 -2.730 -5.417 1.00 0.00 C ATOM 316 C SER A 20 11.604 -1.703 -4.712 1.00 0.00 C ATOM 317 O SER A 20 10.986 -0.845 -5.326 1.00 0.00 O ATOM 318 CB SER A 20 13.967 -2.238 -5.492 1.00 0.00 C ATOM 319 OG SER A 20 14.555 -2.359 -4.119 1.00 0.00 O ATOM 0 H SER A 20 12.650 -2.634 -7.529 1.00 0.00 H new ATOM 0 HA SER A 20 12.495 -3.661 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.536 -2.832 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.005 -1.204 -5.835 1.00 0.00 H new ATOM 0 HG SER A 20 15.486 -2.053 -4.134 1.00 0.00 H new ATOM 325 N ARG A 21 11.647 -1.791 -3.384 1.00 0.00 N ATOM 326 CA ARG A 21 10.829 -0.908 -2.558 1.00 0.00 C ATOM 327 C ARG A 21 11.189 0.555 -2.845 1.00 0.00 C ATOM 328 O ARG A 21 10.368 1.365 -3.256 1.00 0.00 O ATOM 329 CB ARG A 21 11.025 -1.276 -1.082 1.00 0.00 C ATOM 330 CG ARG A 21 9.880 -0.791 -0.178 1.00 0.00 C ATOM 331 CD ARG A 21 9.488 -1.851 0.860 1.00 0.00 C ATOM 332 NE ARG A 21 9.093 -1.230 2.121 1.00 0.00 N ATOM 333 CZ ARG A 21 8.483 -1.940 3.095 1.00 0.00 C ATOM 334 NH1 ARG A 21 8.184 -3.222 2.921 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.185 -1.357 4.247 1.00 0.00 N ATOM 0 H ARG A 21 12.227 -2.451 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 21 9.773 -1.033 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.115 -2.359 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.963 -0.848 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.182 0.124 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.013 -0.543 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.666 -2.455 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.327 -2.526 1.030 1.00 0.00 H new ATOM 0 HE ARG A 21 9.282 -0.239 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.415 -3.685 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.723 -3.744 3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.416 -0.375 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.724 -1.890 4.984 1.00 0.00 H new ATOM 349 N LYS A 22 12.499 0.802 -2.642 1.00 0.00 N ATOM 350 CA LYS A 22 13.063 2.121 -2.902 1.00 0.00 C ATOM 351 C LYS A 22 12.906 2.566 -4.353 1.00 0.00 C ATOM 352 O LYS A 22 12.981 3.752 -4.651 1.00 0.00 O ATOM 353 CB LYS A 22 14.524 2.231 -2.457 1.00 0.00 C ATOM 354 CG LYS A 22 15.408 1.152 -3.030 1.00 0.00 C ATOM 355 CD LYS A 22 15.732 1.257 -4.503 1.00 0.00 C ATOM 356 CE LYS A 22 17.171 0.863 -4.861 1.00 0.00 C ATOM 357 NZ LYS A 22 17.301 0.336 -6.216 1.00 0.00 N ATOM 0 H LYS A 22 13.169 0.111 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 22 12.475 2.806 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.914 3.205 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.569 2.187 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.345 1.148 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.929 0.189 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.044 0.622 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.556 2.282 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.817 1.734 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.524 0.115 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.253 0.543 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.151 -0.693 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.592 0.782 -6.832 1.00 0.00 H new ATOM 371 N ASP A 23 12.653 1.567 -5.237 1.00 0.00 N ATOM 372 CA ASP A 23 12.529 1.867 -6.640 1.00 0.00 C ATOM 373 C ASP A 23 11.162 2.478 -6.953 1.00 0.00 C ATOM 374 O ASP A 23 11.033 3.591 -7.423 1.00 0.00 O ATOM 375 CB ASP A 23 12.781 0.662 -7.579 1.00 0.00 C ATOM 376 CG ASP A 23 14.280 0.374 -7.805 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.091 1.291 -7.691 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.624 -0.767 -8.104 1.00 0.00 O ATOM 0 H ASP A 23 12.538 0.584 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 23 13.321 2.588 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.306 -0.224 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.305 0.853 -8.541 1.00 0.00 H new ATOM 383 N ALA A 24 10.148 1.667 -6.669 1.00 0.00 N ATOM 384 CA ALA A 24 8.762 2.086 -6.881 1.00 0.00 C ATOM 385 C ALA A 24 8.488 3.472 -6.240 1.00 0.00 C ATOM 386 O ALA A 24 7.852 4.339 -6.824 1.00 0.00 O ATOM 387 CB ALA A 24 7.853 0.997 -6.302 1.00 0.00 C ATOM 0 H ALA A 24 10.255 0.724 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 24 8.560 2.204 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.810 1.280 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.046 0.053 -6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.056 0.882 -5.237 1.00 0.00 H new ATOM 393 N GLU A 25 9.029 3.627 -5.020 1.00 0.00 N ATOM 394 CA GLU A 25 8.877 4.863 -4.270 1.00 0.00 C ATOM 395 C GLU A 25 9.575 6.028 -5.005 1.00 0.00 C ATOM 396 O GLU A 25 9.078 7.139 -4.979 1.00 0.00 O ATOM 397 CB GLU A 25 9.484 4.687 -2.883 1.00 0.00 C ATOM 398 CG GLU A 25 8.669 3.741 -1.992 1.00 0.00 C ATOM 399 CD GLU A 25 9.448 3.406 -0.706 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.354 2.577 -0.751 1.00 0.00 O ATOM 401 OE2 GLU A 25 9.141 3.983 0.335 1.00 0.00 O ATOM 0 H GLU A 25 9.572 2.908 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 25 7.816 5.098 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.499 4.301 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.559 5.660 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.716 4.204 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.443 2.824 -2.536 1.00 0.00 H new ATOM 408 N ARG A 26 10.696 5.723 -5.709 1.00 0.00 N ATOM 409 CA ARG A 26 11.473 6.761 -6.391 1.00 0.00 C ATOM 410 C ARG A 26 10.642 7.416 -7.522 1.00 0.00 C ATOM 411 O ARG A 26 10.839 8.567 -7.892 1.00 0.00 O ATOM 412 CB ARG A 26 12.758 6.184 -7.023 1.00 0.00 C ATOM 413 CG ARG A 26 12.675 5.574 -8.445 1.00 0.00 C ATOM 414 CD ARG A 26 13.592 4.371 -8.674 1.00 0.00 C ATOM 415 NE ARG A 26 14.381 4.531 -9.888 1.00 0.00 N ATOM 416 CZ ARG A 26 13.879 4.231 -11.100 1.00 0.00 C ATOM 417 NH1 ARG A 26 12.634 3.790 -11.225 1.00 0.00 N ATOM 418 NH2 ARG A 26 14.633 4.381 -12.177 1.00 0.00 N ATOM 0 H ARG A 26 11.068 4.779 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 26 11.736 7.501 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.502 6.981 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.139 5.413 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.646 5.272 -8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.922 6.347 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.257 4.250 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.993 3.463 -8.744 1.00 0.00 H new ATOM 0 HE ARG A 26 15.337 4.879 -9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.048 3.676 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.263 3.565 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.590 4.723 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.257 4.155 -13.098 1.00 0.00 H new ATOM 432 N GLN A 27 9.692 6.588 -8.014 1.00 0.00 N ATOM 433 CA GLN A 27 8.857 7.050 -9.115 1.00 0.00 C ATOM 434 C GLN A 27 7.806 8.056 -8.650 1.00 0.00 C ATOM 435 O GLN A 27 7.719 9.171 -9.155 1.00 0.00 O ATOM 436 CB GLN A 27 8.153 5.879 -9.814 1.00 0.00 C ATOM 437 CG GLN A 27 9.147 4.860 -10.381 1.00 0.00 C ATOM 438 CD GLN A 27 8.484 3.968 -11.449 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.321 4.116 -11.805 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.316 3.043 -11.947 1.00 0.00 N ATOM 0 H GLN A 27 9.499 5.644 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 27 9.527 7.542 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.490 5.382 -9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.529 6.262 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.998 5.383 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.534 4.238 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.273 2.979 -11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.992 2.403 -12.672 1.00 0.00 H new ATOM 449 N LEU A 28 6.987 7.569 -7.696 1.00 0.00 N ATOM 450 CA LEU A 28 5.930 8.396 -7.157 1.00 0.00 C ATOM 451 C LEU A 28 6.498 9.660 -6.480 1.00 0.00 C ATOM 452 O LEU A 28 5.945 10.736 -6.618 1.00 0.00 O ATOM 453 CB LEU A 28 5.051 7.583 -6.202 1.00 0.00 C ATOM 454 CG LEU A 28 4.647 6.251 -6.821 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.255 5.298 -5.725 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.482 6.400 -7.793 1.00 0.00 C ATOM 0 H LEU A 28 7.047 6.630 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 28 5.302 8.734 -7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.589 7.406 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.158 8.155 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 28 5.501 5.870 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.964 4.342 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.100 5.149 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.416 5.712 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.229 5.425 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.618 6.805 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.765 7.077 -8.599 1.00 0.00 H new ATOM 468 N LEU A 29 7.638 9.478 -5.752 1.00 0.00 N ATOM 469 CA LEU A 29 8.242 10.602 -5.025 1.00 0.00 C ATOM 470 C LEU A 29 8.850 11.658 -5.950 1.00 0.00 C ATOM 471 O LEU A 29 9.265 12.713 -5.486 1.00 0.00 O ATOM 472 CB LEU A 29 9.368 10.060 -4.123 1.00 0.00 C ATOM 473 CG LEU A 29 8.837 9.450 -2.821 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.802 8.402 -2.269 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.598 10.549 -1.771 1.00 0.00 C ATOM 0 H LEU A 29 8.133 8.590 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 29 7.445 11.077 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.935 9.306 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.060 10.868 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 29 7.890 8.959 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.399 7.987 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.930 7.604 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.767 8.867 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.221 10.099 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.536 11.065 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.868 11.263 -2.151 1.00 0.00 H new ATOM 487 N ALA A 30 8.867 11.354 -7.259 1.00 0.00 N ATOM 488 CA ALA A 30 9.359 12.334 -8.212 1.00 0.00 C ATOM 489 C ALA A 30 8.385 13.533 -8.231 1.00 0.00 C ATOM 490 O ALA A 30 7.180 13.357 -8.086 1.00 0.00 O ATOM 491 CB ALA A 30 9.523 11.728 -9.606 1.00 0.00 C ATOM 0 H ALA A 30 8.556 10.469 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 30 10.348 12.672 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.893 12.490 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.234 10.903 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.560 11.359 -9.958 1.00 0.00 H new ATOM 497 N PRO A 31 8.946 14.761 -8.411 1.00 0.00 N ATOM 498 CA PRO A 31 8.124 15.965 -8.463 1.00 0.00 C ATOM 499 C PRO A 31 7.200 16.052 -9.694 1.00 0.00 C ATOM 500 O PRO A 31 6.408 16.976 -9.827 1.00 0.00 O ATOM 501 CB PRO A 31 9.143 17.116 -8.553 1.00 0.00 C ATOM 502 CG PRO A 31 10.522 16.492 -8.741 1.00 0.00 C ATOM 503 CD PRO A 31 10.372 15.009 -8.495 1.00 0.00 C ATOM 0 HA PRO A 31 7.463 15.988 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.904 17.776 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.117 17.723 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.897 16.680 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.240 16.928 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.822 14.432 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.875 14.713 -7.574 1.00 0.00 H new ATOM 511 N MET A 32 7.338 15.040 -10.572 1.00 0.00 N ATOM 512 CA MET A 32 6.510 14.947 -11.750 1.00 0.00 C ATOM 513 C MET A 32 5.065 14.485 -11.475 1.00 0.00 C ATOM 514 O MET A 32 4.166 14.803 -12.245 1.00 0.00 O ATOM 515 CB MET A 32 7.205 13.989 -12.715 1.00 0.00 C ATOM 516 CG MET A 32 8.195 14.693 -13.637 1.00 0.00 C ATOM 517 SD MET A 32 8.648 13.659 -15.041 1.00 0.00 S ATOM 518 CE MET A 32 10.120 12.903 -14.344 1.00 0.00 C ATOM 0 H MET A 32 8.018 14.286 -10.472 1.00 0.00 H new ATOM 0 HA MET A 32 6.404 15.947 -12.171 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.729 13.223 -12.144 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.453 13.479 -13.318 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.758 15.625 -13.997 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.091 14.957 -13.075 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.556 12.217 -15.071 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.845 13.678 -14.097 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.854 12.354 -13.441 1.00 0.00 H new ATOM 528 N ASN A 33 4.894 13.790 -10.330 1.00 0.00 N ATOM 529 CA ASN A 33 3.584 13.231 -9.964 1.00 0.00 C ATOM 530 C ASN A 33 3.339 13.188 -8.441 1.00 0.00 C ATOM 531 O ASN A 33 4.129 12.673 -7.661 1.00 0.00 O ATOM 532 CB ASN A 33 3.396 11.817 -10.525 1.00 0.00 C ATOM 533 CG ASN A 33 3.179 11.865 -12.038 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.028 11.453 -12.812 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.009 12.415 -12.402 1.00 0.00 N ATOM 0 H ASN A 33 5.637 13.607 -9.655 1.00 0.00 H new ATOM 0 HA ASN A 33 2.857 13.911 -10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.272 11.209 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.542 11.339 -10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.777 12.513 -13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.352 12.735 -11.690 1.00 0.00 H new ATOM 542 N LYS A 34 2.213 13.848 -8.092 1.00 0.00 N ATOM 543 CA LYS A 34 1.737 13.943 -6.710 1.00 0.00 C ATOM 544 C LYS A 34 0.662 12.863 -6.438 1.00 0.00 C ATOM 545 O LYS A 34 0.299 12.086 -7.315 1.00 0.00 O ATOM 546 CB LYS A 34 1.283 15.384 -6.384 1.00 0.00 C ATOM 547 CG LYS A 34 0.230 15.953 -7.336 1.00 0.00 C ATOM 548 CD LYS A 34 -1.184 15.600 -6.877 1.00 0.00 C ATOM 549 CE LYS A 34 -2.065 15.205 -8.050 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.670 16.296 -8.798 1.00 0.00 N ATOM 0 H LYS A 34 1.615 14.327 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 34 2.556 13.733 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.885 15.404 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.156 16.037 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.336 17.036 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.396 15.563 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.141 14.780 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.624 16.453 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.469 14.607 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.862 14.562 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.247 15.908 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.273 16.859 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.923 16.902 -9.193 1.00 0.00 H new ATOM 564 N ALA A 35 0.152 12.905 -5.177 1.00 0.00 N ATOM 565 CA ALA A 35 -0.875 12.017 -4.626 1.00 0.00 C ATOM 566 C ALA A 35 -1.870 11.546 -5.707 1.00 0.00 C ATOM 567 O ALA A 35 -2.524 12.357 -6.350 1.00 0.00 O ATOM 568 CB ALA A 35 -1.637 12.724 -3.485 1.00 0.00 C ATOM 0 H ALA A 35 0.469 13.595 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.367 11.136 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.397 12.053 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.938 12.994 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.115 13.625 -3.870 1.00 0.00 H new ATOM 574 N GLY A 36 -1.951 10.206 -5.849 1.00 0.00 N ATOM 575 CA GLY A 36 -2.819 9.576 -6.833 1.00 0.00 C ATOM 576 C GLY A 36 -2.066 8.654 -7.800 1.00 0.00 C ATOM 577 O GLY A 36 -2.599 7.651 -8.247 1.00 0.00 O ATOM 0 H GLY A 36 -1.416 9.546 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.586 9.000 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.332 10.350 -7.404 1.00 0.00 H new ATOM 581 N SER A 37 -0.801 9.025 -8.088 1.00 0.00 N ATOM 582 CA SER A 37 0.083 8.144 -8.842 1.00 0.00 C ATOM 583 C SER A 37 0.320 6.952 -7.888 1.00 0.00 C ATOM 584 O SER A 37 0.671 7.115 -6.715 1.00 0.00 O ATOM 585 CB SER A 37 1.425 8.909 -9.034 1.00 0.00 C ATOM 586 OG SER A 37 1.919 9.536 -7.789 1.00 0.00 O ATOM 0 H SER A 37 -0.384 9.914 -7.811 1.00 0.00 H new ATOM 0 HA SER A 37 -0.309 7.834 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.180 8.218 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.292 9.679 -9.794 1.00 0.00 H new ATOM 0 HG SER A 37 1.520 10.426 -7.690 1.00 0.00 H new ATOM 592 N PHE A 38 0.127 5.751 -8.488 1.00 0.00 N ATOM 593 CA PHE A 38 0.267 4.525 -7.701 1.00 0.00 C ATOM 594 C PHE A 38 1.107 3.484 -8.513 1.00 0.00 C ATOM 595 O PHE A 38 1.456 3.687 -9.670 1.00 0.00 O ATOM 596 CB PHE A 38 -1.131 3.866 -7.489 1.00 0.00 C ATOM 597 CG PHE A 38 -2.055 4.247 -6.358 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.305 5.553 -5.986 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.770 3.245 -5.700 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.282 5.867 -5.046 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.720 3.543 -4.723 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.988 4.863 -4.404 1.00 0.00 C ATOM 0 H PHE A 38 -0.115 5.617 -9.470 1.00 0.00 H new ATOM 0 HA PHE A 38 0.736 4.783 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.690 4.022 -8.412 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.957 2.794 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.729 6.349 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.583 2.212 -5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.491 6.901 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.245 2.746 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.737 5.107 -3.665 1.00 0.00 H new ATOM 612 N LEU A 39 1.381 2.364 -7.785 1.00 0.00 N ATOM 613 CA LEU A 39 2.136 1.218 -8.294 1.00 0.00 C ATOM 614 C LEU A 39 1.701 0.015 -7.488 1.00 0.00 C ATOM 615 O LEU A 39 1.556 0.168 -6.282 1.00 0.00 O ATOM 616 CB LEU A 39 3.661 1.279 -8.169 1.00 0.00 C ATOM 617 CG LEU A 39 4.291 2.654 -8.231 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.511 2.695 -7.324 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.692 3.062 -9.670 1.00 0.00 C ATOM 0 H LEU A 39 1.073 2.246 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 39 1.922 1.188 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.944 0.817 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.093 0.670 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 39 3.543 3.371 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.965 3.685 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.210 2.480 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.235 1.949 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.139 4.056 -9.655 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.414 2.346 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.807 3.071 -10.306 1.00 0.00 H new ATOM 631 N ILE A 40 1.488 -1.155 -8.128 1.00 0.00 N ATOM 632 CA ILE A 40 1.089 -2.279 -7.284 1.00 0.00 C ATOM 633 C ILE A 40 2.265 -3.270 -7.456 1.00 0.00 C ATOM 634 O ILE A 40 2.331 -3.981 -8.448 1.00 0.00 O ATOM 635 CB ILE A 40 -0.359 -2.726 -7.701 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.216 -3.304 -6.558 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.369 -3.849 -8.701 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.667 -2.780 -6.615 1.00 0.00 C ATOM 0 H ILE A 40 1.576 -1.332 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 40 0.964 -2.105 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.761 -1.788 -8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.219 -4.392 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.770 -3.040 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.399 -4.109 -8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.151 -3.535 -9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.134 -4.718 -8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.241 -3.209 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.665 -1.693 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.120 -3.067 -7.564 1.00 0.00 H new ATOM 650 N ARG A 41 3.189 -3.310 -6.473 1.00 0.00 N ATOM 651 CA ARG A 41 4.318 -4.199 -6.711 1.00 0.00 C ATOM 652 C ARG A 41 3.968 -5.563 -6.111 1.00 0.00 C ATOM 653 O ARG A 41 3.189 -5.668 -5.176 1.00 0.00 O ATOM 654 CB ARG A 41 5.552 -3.555 -6.028 1.00 0.00 C ATOM 655 CG ARG A 41 5.749 -3.893 -4.534 1.00 0.00 C ATOM 656 CD ARG A 41 6.769 -5.031 -4.326 1.00 0.00 C ATOM 657 NE ARG A 41 6.252 -6.036 -3.400 1.00 0.00 N ATOM 658 CZ ARG A 41 6.235 -5.874 -2.062 1.00 0.00 C ATOM 659 NH1 ARG A 41 6.675 -4.756 -1.511 1.00 0.00 N ATOM 660 NH2 ARG A 41 5.774 -6.845 -1.289 1.00 0.00 N ATOM 0 H ARG A 41 3.178 -2.790 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 41 4.539 -4.342 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.446 -3.863 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.475 -2.472 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.086 -3.003 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.792 -4.181 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.998 -5.498 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.702 -4.621 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 41 5.885 -6.906 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.033 -4.004 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.657 -4.646 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.434 -7.711 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.759 -6.727 -0.276 1.00 0.00 H new ATOM 674 N GLU A 42 4.584 -6.593 -6.717 1.00 0.00 N ATOM 675 CA GLU A 42 4.308 -7.958 -6.273 1.00 0.00 C ATOM 676 C GLU A 42 5.340 -8.412 -5.282 1.00 0.00 C ATOM 677 O GLU A 42 6.507 -8.121 -5.489 1.00 0.00 O ATOM 678 CB GLU A 42 4.296 -8.910 -7.475 1.00 0.00 C ATOM 679 CG GLU A 42 5.659 -9.391 -7.982 1.00 0.00 C ATOM 680 CD GLU A 42 5.485 -10.390 -9.142 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.557 -10.227 -9.931 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.281 -11.321 -9.241 1.00 0.00 O ATOM 0 H GLU A 42 5.250 -6.508 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 42 3.330 -7.970 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.703 -9.785 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.782 -8.413 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.251 -8.538 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.210 -9.863 -7.168 1.00 0.00 H new ATOM 689 N SER A 43 4.927 -9.135 -4.210 1.00 0.00 N ATOM 690 CA SER A 43 6.010 -9.582 -3.312 1.00 0.00 C ATOM 691 C SER A 43 6.659 -10.797 -4.020 1.00 0.00 C ATOM 692 O SER A 43 5.987 -11.752 -4.383 1.00 0.00 O ATOM 693 CB SER A 43 5.479 -9.873 -1.850 1.00 0.00 C ATOM 694 OG SER A 43 6.362 -9.840 -0.651 1.00 0.00 O ATOM 0 H SER A 43 3.971 -9.395 -3.967 1.00 0.00 H new ATOM 0 HA SER A 43 6.763 -8.811 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.675 -9.160 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.026 -10.864 -1.875 1.00 0.00 H new ATOM 0 HG SER A 43 5.835 -10.046 0.149 1.00 0.00 H new ATOM 700 N GLU A 44 7.978 -10.701 -4.242 1.00 0.00 N ATOM 701 CA GLU A 44 8.696 -11.778 -4.926 1.00 0.00 C ATOM 702 C GLU A 44 8.927 -13.041 -4.053 1.00 0.00 C ATOM 703 O GLU A 44 9.898 -13.765 -4.232 1.00 0.00 O ATOM 704 CB GLU A 44 10.014 -11.223 -5.443 1.00 0.00 C ATOM 705 CG GLU A 44 10.858 -10.501 -4.365 1.00 0.00 C ATOM 706 CD GLU A 44 12.255 -11.117 -4.190 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.395 -12.035 -3.384 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.188 -10.672 -4.858 1.00 0.00 O ATOM 0 H GLU A 44 8.555 -9.907 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 44 8.069 -12.121 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.601 -12.040 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.809 -10.527 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.961 -9.450 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.329 -10.536 -3.413 1.00 0.00 H new ATOM 715 N SER A 45 8.006 -13.249 -3.090 1.00 0.00 N ATOM 716 CA SER A 45 8.079 -14.388 -2.197 1.00 0.00 C ATOM 717 C SER A 45 6.673 -14.895 -1.797 1.00 0.00 C ATOM 718 O SER A 45 6.547 -15.809 -0.992 1.00 0.00 O ATOM 719 CB SER A 45 8.832 -13.930 -0.933 1.00 0.00 C ATOM 720 OG SER A 45 8.080 -13.138 0.072 1.00 0.00 O ATOM 0 H SER A 45 7.209 -12.635 -2.923 1.00 0.00 H new ATOM 0 HA SER A 45 8.590 -15.209 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.222 -14.818 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.691 -13.339 -1.251 1.00 0.00 H new ATOM 0 HG SER A 45 8.671 -12.914 0.821 1.00 0.00 H new ATOM 726 N ASN A 46 5.625 -14.259 -2.373 1.00 0.00 N ATOM 727 CA ASN A 46 4.255 -14.624 -2.041 1.00 0.00 C ATOM 728 C ASN A 46 3.653 -15.580 -3.056 1.00 0.00 C ATOM 729 O ASN A 46 4.198 -15.838 -4.119 1.00 0.00 O ATOM 730 CB ASN A 46 3.384 -13.349 -2.060 1.00 0.00 C ATOM 731 CG ASN A 46 3.473 -12.485 -3.347 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.471 -11.276 -3.261 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.566 -13.102 -4.530 1.00 0.00 N ATOM 0 H ASN A 46 5.713 -13.506 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 46 4.276 -15.105 -1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.344 -13.641 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.664 -12.728 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.637 -12.554 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.566 -14.121 -4.575 1.00 0.00 H new ATOM 740 N LYS A 47 2.429 -15.994 -2.684 1.00 0.00 N ATOM 741 CA LYS A 47 1.598 -16.826 -3.532 1.00 0.00 C ATOM 742 C LYS A 47 1.136 -16.058 -4.749 1.00 0.00 C ATOM 743 O LYS A 47 1.427 -16.334 -5.906 1.00 0.00 O ATOM 744 CB LYS A 47 0.545 -17.688 -2.824 1.00 0.00 C ATOM 745 CG LYS A 47 -0.034 -16.999 -1.626 1.00 0.00 C ATOM 746 CD LYS A 47 0.786 -17.313 -0.383 1.00 0.00 C ATOM 747 CE LYS A 47 0.754 -16.145 0.582 1.00 0.00 C ATOM 748 NZ LYS A 47 1.950 -15.304 0.513 1.00 0.00 N ATOM 0 H LYS A 47 2.002 -15.756 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 47 2.241 -17.624 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.255 -17.931 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.996 -18.631 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.054 -15.922 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.066 -17.318 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.393 -18.205 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.816 -17.531 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.124 -15.534 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.643 -16.525 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.189 -14.961 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.744 -15.860 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.768 -14.493 -0.112 1.00 0.00 H new ATOM 762 N GLY A 48 0.334 -15.100 -4.326 1.00 0.00 N ATOM 763 CA GLY A 48 -0.282 -14.152 -5.210 1.00 0.00 C ATOM 764 C GLY A 48 -0.544 -12.857 -4.458 1.00 0.00 C ATOM 765 O GLY A 48 -1.598 -12.249 -4.591 1.00 0.00 O ATOM 0 H GLY A 48 0.094 -14.964 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.365 -13.963 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.217 -14.555 -5.599 1.00 0.00 H new ATOM 769 N ALA A 49 0.501 -12.462 -3.683 1.00 0.00 N ATOM 770 CA ALA A 49 0.324 -11.212 -2.905 1.00 0.00 C ATOM 771 C ALA A 49 0.938 -10.007 -3.649 1.00 0.00 C ATOM 772 O ALA A 49 1.737 -10.137 -4.567 1.00 0.00 O ATOM 773 CB ALA A 49 0.917 -11.302 -1.479 1.00 0.00 C ATOM 0 H ALA A 49 1.396 -12.941 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.752 -11.068 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.757 -10.358 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.426 -12.106 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.986 -11.505 -1.542 1.00 0.00 H new ATOM 779 N PHE A 50 0.459 -8.826 -3.220 1.00 0.00 N ATOM 780 CA PHE A 50 0.902 -7.564 -3.807 1.00 0.00 C ATOM 781 C PHE A 50 0.937 -6.473 -2.704 1.00 0.00 C ATOM 782 O PHE A 50 0.555 -6.699 -1.562 1.00 0.00 O ATOM 783 CB PHE A 50 -0.025 -7.192 -4.998 1.00 0.00 C ATOM 784 CG PHE A 50 0.117 -8.078 -6.211 1.00 0.00 C ATOM 785 CD1 PHE A 50 1.020 -7.769 -7.225 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.700 -9.200 -6.356 1.00 0.00 C ATOM 787 CE1 PHE A 50 1.075 -8.547 -8.378 1.00 0.00 C ATOM 788 CE2 PHE A 50 -0.635 -9.982 -7.504 1.00 0.00 C ATOM 789 CZ PHE A 50 0.248 -9.652 -8.519 1.00 0.00 C ATOM 0 H PHE A 50 -0.230 -8.726 -2.474 1.00 0.00 H new ATOM 0 HA PHE A 50 1.912 -7.654 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.060 -7.227 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.180 -6.162 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.681 -6.922 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.390 -9.464 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.765 -8.289 -9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.273 -10.847 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.292 -10.252 -9.416 1.00 0.00 H new ATOM 799 N SER A 51 1.359 -5.266 -3.151 1.00 0.00 N ATOM 800 CA SER A 51 1.453 -4.085 -2.289 1.00 0.00 C ATOM 801 C SER A 51 1.139 -2.859 -3.147 1.00 0.00 C ATOM 802 O SER A 51 1.266 -2.932 -4.353 1.00 0.00 O ATOM 803 CB SER A 51 2.849 -3.954 -1.602 1.00 0.00 C ATOM 804 OG SER A 51 3.123 -4.665 -0.319 1.00 0.00 O ATOM 0 H SER A 51 1.640 -5.094 -4.116 1.00 0.00 H new ATOM 0 HA SER A 51 0.735 -4.177 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.596 -4.287 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.025 -2.893 -1.428 1.00 0.00 H new ATOM 0 HG SER A 51 4.040 -4.477 -0.030 1.00 0.00 H new ATOM 810 N LEU A 52 0.835 -1.726 -2.471 1.00 0.00 N ATOM 811 CA LEU A 52 0.448 -0.507 -3.201 1.00 0.00 C ATOM 812 C LEU A 52 1.114 0.749 -2.611 1.00 0.00 C ATOM 813 O LEU A 52 1.046 1.022 -1.420 1.00 0.00 O ATOM 814 CB LEU A 52 -1.093 -0.393 -3.074 1.00 0.00 C ATOM 815 CG LEU A 52 -1.838 0.420 -4.145 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.383 0.097 -5.565 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.373 0.259 -4.018 1.00 0.00 C ATOM 0 H LEU A 52 0.850 -1.635 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 52 0.771 -0.574 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.505 -1.402 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.318 0.046 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.581 1.462 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.946 0.703 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.320 0.315 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.557 -0.959 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.866 0.848 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.640 -0.791 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.695 0.607 -3.037 1.00 0.00 H new ATOM 829 N SER A 53 1.799 1.444 -3.548 1.00 0.00 N ATOM 830 CA SER A 53 2.540 2.661 -3.285 1.00 0.00 C ATOM 831 C SER A 53 1.731 3.863 -3.772 1.00 0.00 C ATOM 832 O SER A 53 1.252 3.867 -4.892 1.00 0.00 O ATOM 833 CB SER A 53 3.890 2.574 -4.050 1.00 0.00 C ATOM 834 OG SER A 53 4.740 1.393 -3.750 1.00 0.00 O ATOM 0 H SER A 53 1.842 1.153 -4.525 1.00 0.00 H new ATOM 0 HA SER A 53 2.725 2.779 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.679 2.581 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.465 3.474 -3.833 1.00 0.00 H new ATOM 0 HG SER A 53 5.561 1.436 -4.284 1.00 0.00 H new ATOM 840 N VAL A 54 1.614 4.883 -2.898 1.00 0.00 N ATOM 841 CA VAL A 54 0.863 6.075 -3.308 1.00 0.00 C ATOM 842 C VAL A 54 1.602 7.275 -2.744 1.00 0.00 C ATOM 843 O VAL A 54 2.150 7.182 -1.659 1.00 0.00 O ATOM 844 CB VAL A 54 -0.575 6.091 -2.759 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.383 7.290 -3.299 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.224 4.731 -2.981 1.00 0.00 C ATOM 0 H VAL A 54 2.007 4.906 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 54 0.793 6.087 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.555 6.251 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.392 7.264 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.895 8.219 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.433 7.235 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.242 4.746 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.247 4.509 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.648 3.964 -2.463 1.00 0.00 H new ATOM 856 N LYS A 55 1.560 8.417 -3.444 1.00 0.00 N ATOM 857 CA LYS A 55 2.265 9.520 -2.803 1.00 0.00 C ATOM 858 C LYS A 55 1.381 10.156 -1.715 1.00 0.00 C ATOM 859 O LYS A 55 0.403 10.845 -1.993 1.00 0.00 O ATOM 860 CB LYS A 55 2.533 10.533 -3.906 1.00 0.00 C ATOM 861 CG LYS A 55 3.137 11.893 -3.581 1.00 0.00 C ATOM 862 CD LYS A 55 4.625 11.909 -3.861 1.00 0.00 C ATOM 863 CE LYS A 55 5.319 10.892 -2.975 1.00 0.00 C ATOM 864 NZ LYS A 55 5.486 9.599 -3.615 1.00 0.00 N ATOM 0 H LYS A 55 1.106 8.590 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 55 3.185 9.184 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.193 10.053 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.585 10.715 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.644 12.664 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.958 12.133 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.811 11.679 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.030 12.904 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.297 11.277 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.744 10.765 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.979 8.873 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.102 9.637 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.497 9.359 -3.654 1.00 0.00 H new ATOM 878 N ASP A 56 1.868 10.022 -0.460 1.00 0.00 N ATOM 879 CA ASP A 56 1.058 10.678 0.557 1.00 0.00 C ATOM 880 C ASP A 56 1.758 12.003 0.806 1.00 0.00 C ATOM 881 O ASP A 56 2.968 12.120 0.894 1.00 0.00 O ATOM 882 CB ASP A 56 1.042 9.801 1.820 1.00 0.00 C ATOM 883 CG ASP A 56 0.695 10.566 3.124 1.00 0.00 C ATOM 884 OD1 ASP A 56 1.539 11.300 3.639 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.420 10.425 3.615 1.00 0.00 O ATOM 0 H ASP A 56 2.710 9.529 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 56 0.020 10.831 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.319 8.997 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.020 9.334 1.936 1.00 0.00 H new ATOM 890 N ILE A 57 0.871 13.013 0.851 1.00 0.00 N ATOM 891 CA ILE A 57 1.357 14.373 1.005 1.00 0.00 C ATOM 892 C ILE A 57 1.085 14.826 2.414 1.00 0.00 C ATOM 893 O ILE A 57 -0.040 14.847 2.897 1.00 0.00 O ATOM 894 CB ILE A 57 0.676 15.329 0.015 1.00 0.00 C ATOM 895 CG1 ILE A 57 0.673 14.786 -1.415 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.249 16.749 0.098 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.930 15.109 -2.161 1.00 0.00 C ATOM 0 H ILE A 57 -0.142 12.911 0.785 1.00 0.00 H new ATOM 0 HA ILE A 57 2.427 14.387 0.798 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.369 15.395 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.540 13.705 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.180 15.199 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.737 17.390 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.103 17.142 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.314 16.725 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.871 14.699 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.053 16.191 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.784 14.673 -1.642 1.00 0.00 H new ATOM 909 N THR A 58 2.224 15.134 3.041 1.00 0.00 N ATOM 910 CA THR A 58 2.193 15.604 4.402 1.00 0.00 C ATOM 911 C THR A 58 3.040 16.893 4.554 1.00 0.00 C ATOM 912 O THR A 58 3.836 17.230 3.688 1.00 0.00 O ATOM 913 CB THR A 58 2.859 14.536 5.330 1.00 0.00 C ATOM 914 OG1 THR A 58 3.033 14.928 6.717 1.00 0.00 O ATOM 915 CG2 THR A 58 4.179 13.948 4.725 1.00 0.00 C ATOM 0 H THR A 58 3.154 15.064 2.627 1.00 0.00 H new ATOM 0 HA THR A 58 1.152 15.790 4.667 1.00 0.00 H new ATOM 0 HB THR A 58 2.118 13.738 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.454 14.195 7.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.598 13.212 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.960 13.470 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.899 14.752 4.572 1.00 0.00 H new ATOM 923 N THR A 59 2.788 17.601 5.694 1.00 0.00 N ATOM 924 CA THR A 59 3.492 18.819 6.157 1.00 0.00 C ATOM 925 C THR A 59 4.967 18.517 6.545 1.00 0.00 C ATOM 926 O THR A 59 5.617 19.347 7.164 1.00 0.00 O ATOM 927 CB THR A 59 2.693 19.722 7.144 1.00 0.00 C ATOM 928 OG1 THR A 59 3.427 21.006 7.125 1.00 0.00 O ATOM 929 CG2 THR A 59 2.453 18.939 8.487 1.00 0.00 C ATOM 0 H THR A 59 2.052 17.318 6.341 1.00 0.00 H new ATOM 0 HA THR A 59 3.552 19.481 5.293 1.00 0.00 H new ATOM 0 HB THR A 59 1.662 19.974 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.385 20.837 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.894 19.568 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.885 18.031 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.413 18.675 8.930 1.00 0.00 H new ATOM 937 N GLN A 60 5.460 17.293 6.222 1.00 0.00 N ATOM 938 CA GLN A 60 6.834 16.928 6.592 1.00 0.00 C ATOM 939 C GLN A 60 7.789 17.135 5.391 1.00 0.00 C ATOM 940 O GLN A 60 8.688 17.971 5.436 1.00 0.00 O ATOM 941 CB GLN A 60 6.877 15.489 7.085 1.00 0.00 C ATOM 942 CG GLN A 60 6.369 15.293 8.528 1.00 0.00 C ATOM 943 CD GLN A 60 6.029 13.818 8.772 1.00 0.00 C ATOM 944 OE1 GLN A 60 6.561 12.930 8.119 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.125 13.606 9.739 1.00 0.00 N ATOM 0 H GLN A 60 4.940 16.571 5.723 1.00 0.00 H new ATOM 0 HA GLN A 60 7.168 17.577 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.279 14.871 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.903 15.127 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.129 15.621 9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.487 15.910 8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.722 14.396 10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.840 12.655 9.971 1.00 0.00 H new ATOM 954 N GLY A 61 7.589 16.291 4.365 1.00 0.00 N ATOM 955 CA GLY A 61 8.449 16.391 3.194 1.00 0.00 C ATOM 956 C GLY A 61 8.107 15.373 2.112 1.00 0.00 C ATOM 957 O GLY A 61 9.003 14.874 1.446 1.00 0.00 O ATOM 0 H GLY A 61 6.872 15.567 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.370 17.395 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.486 16.253 3.499 1.00 0.00 H new ATOM 961 N GLU A 62 6.782 15.100 1.973 1.00 0.00 N ATOM 962 CA GLU A 62 6.272 14.164 0.986 1.00 0.00 C ATOM 963 C GLU A 62 6.773 12.729 1.239 1.00 0.00 C ATOM 964 O GLU A 62 7.957 12.470 1.405 1.00 0.00 O ATOM 965 CB GLU A 62 6.673 14.664 -0.405 1.00 0.00 C ATOM 966 CG GLU A 62 5.652 14.255 -1.456 1.00 0.00 C ATOM 967 CD GLU A 62 5.843 15.080 -2.741 1.00 0.00 C ATOM 968 OE1 GLU A 62 6.982 15.239 -3.180 1.00 0.00 O ATOM 969 OE2 GLU A 62 4.848 15.545 -3.291 1.00 0.00 O ATOM 0 H GLU A 62 6.057 15.530 2.548 1.00 0.00 H new ATOM 0 HA GLU A 62 5.186 14.118 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.767 15.750 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.651 14.263 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.756 13.193 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.644 14.402 -1.069 1.00 0.00 H new ATOM 976 N VAL A 63 5.797 11.804 1.263 1.00 0.00 N ATOM 977 CA VAL A 63 6.120 10.402 1.492 1.00 0.00 C ATOM 978 C VAL A 63 5.298 9.545 0.538 1.00 0.00 C ATOM 979 O VAL A 63 4.383 10.042 -0.080 1.00 0.00 O ATOM 980 CB VAL A 63 5.770 10.061 2.952 1.00 0.00 C ATOM 981 CG1 VAL A 63 4.251 10.202 3.262 1.00 0.00 C ATOM 982 CG2 VAL A 63 6.286 8.661 3.324 1.00 0.00 C ATOM 0 H VAL A 63 4.806 12.003 1.129 1.00 0.00 H new ATOM 0 HA VAL A 63 7.179 10.211 1.316 1.00 0.00 H new ATOM 0 HB VAL A 63 6.278 10.797 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.068 9.948 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.936 11.229 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.684 9.528 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.027 8.441 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.828 7.919 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.369 8.629 3.206 1.00 0.00 H new ATOM 992 N VAL A 64 5.615 8.237 0.472 1.00 0.00 N ATOM 993 CA VAL A 64 4.807 7.321 -0.339 1.00 0.00 C ATOM 994 C VAL A 64 3.840 6.706 0.677 1.00 0.00 C ATOM 995 O VAL A 64 3.613 7.280 1.735 1.00 0.00 O ATOM 996 CB VAL A 64 5.662 6.279 -1.128 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.913 5.427 -2.164 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.685 6.993 -1.953 1.00 0.00 C ATOM 0 H VAL A 64 6.402 7.806 0.957 1.00 0.00 H new ATOM 0 HA VAL A 64 4.277 7.825 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 64 6.046 5.633 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.611 4.742 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.129 4.856 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.466 6.078 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.281 6.265 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.185 7.659 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.335 7.576 -1.301 1.00 0.00 H new ATOM 1008 N LYS A 65 3.236 5.586 0.264 1.00 0.00 N ATOM 1009 CA LYS A 65 2.344 4.793 1.102 1.00 0.00 C ATOM 1010 C LYS A 65 2.576 3.325 0.849 1.00 0.00 C ATOM 1011 O LYS A 65 3.102 2.962 -0.184 1.00 0.00 O ATOM 1012 CB LYS A 65 0.889 5.157 0.831 1.00 0.00 C ATOM 1013 CG LYS A 65 0.505 6.339 1.703 1.00 0.00 C ATOM 1014 CD LYS A 65 0.601 5.977 3.192 1.00 0.00 C ATOM 1015 CE LYS A 65 1.559 6.838 4.018 1.00 0.00 C ATOM 1016 NZ LYS A 65 2.766 6.118 4.420 1.00 0.00 N ATOM 0 H LYS A 65 3.358 5.204 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 65 2.559 5.010 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.753 5.406 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.242 4.306 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.160 7.183 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.511 6.655 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.394 6.049 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.912 4.936 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.842 7.717 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.042 7.196 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.129 6.518 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.540 5.113 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.489 6.210 3.678 1.00 0.00 H new ATOM 1030 N HIS A 66 2.106 2.496 1.800 1.00 0.00 N ATOM 1031 CA HIS A 66 2.246 1.065 1.603 1.00 0.00 C ATOM 1032 C HIS A 66 1.011 0.328 2.160 1.00 0.00 C ATOM 1033 O HIS A 66 0.898 0.125 3.362 1.00 0.00 O ATOM 1034 CB HIS A 66 3.494 0.570 2.356 1.00 0.00 C ATOM 1035 CG HIS A 66 4.731 0.792 1.527 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.703 1.670 1.846 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.088 0.139 0.336 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.627 1.552 0.877 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.283 0.637 -0.046 1.00 0.00 N ATOM 0 H HIS A 66 1.650 2.784 2.666 1.00 0.00 H new ATOM 0 HA HIS A 66 2.340 0.863 0.536 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.586 1.097 3.306 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.390 -0.490 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.515 -0.619 -0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.541 2.126 0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.819 0.371 -0.872 1.00 0.00 H new ATOM 1047 N TYR A 67 0.150 -0.138 1.231 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.049 -0.902 1.615 1.00 0.00 C ATOM 1049 C TYR A 67 -0.680 -2.379 1.339 1.00 0.00 C ATOM 1050 O TYR A 67 0.495 -2.690 1.180 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.290 -0.441 0.819 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.765 0.911 1.276 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.536 1.002 2.429 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.426 2.076 0.594 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.942 2.226 2.941 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.819 3.321 1.099 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.578 3.413 2.274 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.978 4.687 2.675 1.00 0.00 O ATOM 0 H TYR A 67 0.262 -0.000 0.227 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.322 -0.752 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.049 -0.404 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.092 -1.169 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.827 0.096 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.860 2.019 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.533 2.269 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.534 4.222 0.577 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.604 5.355 2.063 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.695 -3.268 1.282 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.418 -4.668 1.094 1.00 0.00 C ATOM 1070 C LYS A 68 -2.620 -5.451 0.586 1.00 0.00 C ATOM 1071 O LYS A 68 -3.535 -5.827 1.300 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.933 -5.284 2.400 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.842 -5.030 3.590 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.657 -3.628 4.154 1.00 0.00 C ATOM 1075 CE LYS A 68 -1.801 -3.581 5.672 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.852 -2.224 6.207 1.00 0.00 N ATOM 0 H LYS A 68 -2.683 -3.029 1.363 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.643 -4.731 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.827 -6.360 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.059 -4.892 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.881 -5.167 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.636 -5.765 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.671 -3.256 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.390 -2.959 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.708 -4.112 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.964 -4.111 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.950 -2.262 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.976 -1.721 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.666 -1.721 5.800 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.462 -5.762 -0.712 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.415 -6.576 -1.467 1.00 0.00 C ATOM 1092 C ILE A 69 -3.039 -8.060 -1.389 1.00 0.00 C ATOM 1093 O ILE A 69 -1.978 -8.491 -1.815 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.597 -6.098 -2.917 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.358 -5.480 -3.561 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.867 -5.337 -3.171 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.335 -3.962 -3.507 1.00 0.00 C ATOM 0 H ILE A 69 -1.663 -5.451 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.390 -6.450 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.728 -7.031 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.469 -5.866 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.303 -5.799 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.910 -5.040 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.723 -5.970 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.891 -4.448 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.426 -3.595 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.205 -3.566 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.358 -3.635 -2.468 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.999 -8.786 -0.792 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.850 -10.221 -0.633 1.00 0.00 C ATOM 1111 C ARG A 70 -4.595 -10.885 -1.783 1.00 0.00 C ATOM 1112 O ARG A 70 -5.210 -10.214 -2.599 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.415 -10.698 0.715 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.499 -10.260 1.866 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.018 -8.954 2.453 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.682 -8.827 3.872 1.00 0.00 N ATOM 1117 CZ ARG A 70 -4.107 -7.777 4.613 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.814 -6.794 4.067 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.816 -7.726 5.906 1.00 0.00 N ATOM 0 H ARG A 70 -4.868 -8.401 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.793 -10.488 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.415 -10.289 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.512 -11.784 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.469 -11.031 2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.479 -10.130 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.595 -8.114 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.100 -8.904 2.329 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.113 -9.549 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.045 -6.823 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.126 -6.011 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.275 -8.475 6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.134 -6.937 6.469 1.00 0.00 H new ATOM 1133 N SER A 71 -4.594 -12.229 -1.728 1.00 0.00 N ATOM 1134 CA SER A 71 -5.248 -13.001 -2.771 1.00 0.00 C ATOM 1135 C SER A 71 -6.122 -14.073 -2.143 1.00 0.00 C ATOM 1136 O SER A 71 -5.645 -15.014 -1.521 1.00 0.00 O ATOM 1137 CB SER A 71 -4.181 -13.748 -3.611 1.00 0.00 C ATOM 1138 OG SER A 71 -3.091 -14.440 -2.870 1.00 0.00 O ATOM 0 H SER A 71 -4.157 -12.781 -0.989 1.00 0.00 H new ATOM 0 HA SER A 71 -5.835 -12.317 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.693 -14.488 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.723 -13.030 -4.291 1.00 0.00 H new ATOM 0 HG SER A 71 -3.472 -14.937 -2.116 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.437 -13.829 -2.316 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.479 -14.707 -1.812 1.00 0.00 C ATOM 1146 C LEU A 72 -8.941 -15.645 -2.905 1.00 0.00 C ATOM 1147 O LEU A 72 -9.298 -15.231 -4.003 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.669 -13.903 -1.276 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.232 -12.626 -0.574 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -8.009 -12.877 0.332 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -9.036 -11.499 -1.602 1.00 0.00 C ATOM 0 H LEU A 72 -7.793 -13.012 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.062 -15.288 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.336 -13.652 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.239 -14.520 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.020 -12.291 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.720 -11.946 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.263 -13.620 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.178 -13.243 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.723 -10.589 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.271 -11.792 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.975 -11.316 -2.125 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.947 -16.923 -2.492 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.366 -17.984 -3.403 1.00 0.00 C ATOM 1165 C ASP A 73 -10.852 -17.863 -3.816 1.00 0.00 C ATOM 1166 O ASP A 73 -11.234 -18.251 -4.912 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.112 -19.359 -2.756 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.936 -19.572 -1.470 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.479 -19.166 -0.403 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.027 -20.137 -1.556 1.00 0.00 O ATOM 0 H ASP A 73 -8.674 -17.234 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.772 -17.882 -4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.355 -20.144 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.052 -19.457 -2.524 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.656 -17.339 -2.858 1.00 0.00 N ATOM 1176 CA ASN A 74 -13.094 -17.182 -3.080 1.00 0.00 C ATOM 1177 C ASN A 74 -13.514 -15.772 -3.535 1.00 0.00 C ATOM 1178 O ASN A 74 -14.697 -15.502 -3.707 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.862 -17.596 -1.819 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.608 -16.613 -0.668 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.577 -16.634 -0.011 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.610 -15.739 -0.485 1.00 0.00 N ATOM 0 H ASN A 74 -11.330 -17.026 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.350 -17.841 -3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.929 -17.637 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.559 -18.599 -1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.541 -15.029 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.441 -15.785 -1.075 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.506 -14.897 -3.696 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.785 -13.522 -4.088 1.00 0.00 C ATOM 1191 C GLY A 75 -11.926 -13.062 -5.244 1.00 0.00 C ATOM 1192 O GLY A 75 -12.313 -13.073 -6.400 1.00 0.00 O ATOM 0 H GLY A 75 -11.519 -15.117 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.836 -13.432 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.622 -12.864 -3.234 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.753 -12.630 -4.805 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.697 -12.120 -5.651 1.00 0.00 C ATOM 1198 C GLY A 76 -8.594 -11.368 -4.906 1.00 0.00 C ATOM 1199 O GLY A 76 -7.555 -11.930 -4.600 1.00 0.00 O ATOM 0 H GLY A 76 -10.507 -12.627 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.249 -12.953 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.134 -11.454 -6.395 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.890 -10.078 -4.601 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.930 -9.209 -3.944 1.00 0.00 C ATOM 1205 C TYR A 77 -8.691 -8.299 -2.996 1.00 0.00 C ATOM 1206 O TYR A 77 -9.804 -7.872 -3.272 1.00 0.00 O ATOM 1207 CB TYR A 77 -7.165 -8.379 -5.004 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.344 -9.234 -5.929 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.892 -9.783 -7.082 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -5.012 -9.461 -5.645 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -6.138 -10.561 -7.947 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -4.242 -10.266 -6.480 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.800 -10.841 -7.631 1.00 0.00 C ATOM 1214 OH TYR A 77 -4.036 -11.670 -8.449 1.00 0.00 O ATOM 0 H TYR A 77 -9.786 -9.636 -4.806 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.201 -9.795 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.878 -7.799 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.512 -7.666 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.931 -9.599 -7.310 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.565 -9.012 -4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.576 -10.948 -8.855 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.205 -10.449 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.132 -11.752 -8.079 1.00 0.00 H new ATOM 1224 N TYR A 78 -8.019 -8.051 -1.847 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.660 -7.148 -0.856 1.00 0.00 C ATOM 1226 C TYR A 78 -7.600 -6.441 0.010 1.00 0.00 C ATOM 1227 O TYR A 78 -6.500 -6.927 0.208 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.719 -7.869 0.037 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.243 -8.379 1.391 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.136 -7.506 2.475 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.914 -9.721 1.599 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.692 -7.917 3.719 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.501 -10.163 2.867 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.382 -9.264 3.937 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.935 -9.718 5.177 1.00 0.00 O ATOM 0 H TYR A 78 -7.106 -8.427 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.203 -6.397 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.547 -7.180 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -10.117 -8.715 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.410 -6.471 2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.978 -10.422 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.585 -7.200 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.272 -11.207 3.020 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.773 -10.683 5.133 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.016 -5.215 0.430 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.113 -4.408 1.314 1.00 0.00 C ATOM 1247 C ILE A 79 -7.814 -4.075 2.630 1.00 0.00 C ATOM 1248 O ILE A 79 -7.311 -4.336 3.717 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.415 -3.194 0.638 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.349 -2.531 -0.316 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.057 -3.365 0.036 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.727 -1.304 -1.059 1.00 0.00 C ATOM 0 H ILE A 79 -8.908 -4.781 0.194 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.261 -5.049 1.541 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.180 -2.560 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.679 -3.262 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.236 -2.204 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.726 -2.418 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.355 -3.682 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.099 -4.120 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.466 -0.875 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.423 -0.553 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.857 -1.628 -1.631 1.00 0.00 H new ATOM 1264 N SER A 80 -9.032 -3.553 2.438 1.00 0.00 N ATOM 1265 CA SER A 80 -9.899 -3.182 3.534 1.00 0.00 C ATOM 1266 C SER A 80 -10.960 -4.248 3.326 1.00 0.00 C ATOM 1267 O SER A 80 -11.574 -4.313 2.272 1.00 0.00 O ATOM 1268 CB SER A 80 -10.556 -1.783 3.360 1.00 0.00 C ATOM 1269 OG SER A 80 -9.729 -0.634 3.832 1.00 0.00 O ATOM 0 H SER A 80 -9.432 -3.381 1.516 1.00 0.00 H new ATOM 0 HA SER A 80 -9.398 -3.125 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.787 -1.636 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.504 -1.774 3.898 1.00 0.00 H new ATOM 0 HG SER A 80 -10.217 0.203 3.683 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.137 -5.109 4.367 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.060 -6.224 4.248 1.00 0.00 C ATOM 1277 C PRO A 81 -13.536 -5.834 4.056 1.00 0.00 C ATOM 1278 O PRO A 81 -14.361 -6.668 3.710 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.926 -6.896 5.633 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.827 -6.214 6.438 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.382 -5.056 5.604 1.00 0.00 C ATOM 0 HA PRO A 81 -11.817 -6.826 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.873 -6.834 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.696 -7.955 5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.199 -5.880 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.001 -6.898 6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.560 -4.115 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.312 -5.113 5.405 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.779 -4.509 4.132 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.129 -4.008 3.885 1.00 0.00 C ATOM 1291 C ARG A 82 -15.392 -3.914 2.350 1.00 0.00 C ATOM 1292 O ARG A 82 -16.493 -3.598 1.923 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.342 -2.672 4.626 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.547 -1.504 4.021 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.442 -0.602 3.174 1.00 0.00 C ATOM 1296 NE ARG A 82 -16.057 0.437 3.991 1.00 0.00 N ATOM 1297 CZ ARG A 82 -17.089 1.173 3.531 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -17.601 0.956 2.325 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -17.599 2.131 4.290 1.00 0.00 N ATOM 0 H ARG A 82 -13.082 -3.798 4.354 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.866 -4.705 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.403 -2.424 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.055 -2.795 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.091 -0.920 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.735 -1.894 3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.854 -0.144 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.217 -1.199 2.694 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.699 0.611 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.214 0.223 1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.382 1.522 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.211 2.308 5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.380 2.691 3.948 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.308 -4.194 1.571 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.234 -4.153 0.115 1.00 0.00 C ATOM 1315 C ILE A 83 -13.167 -5.122 -0.515 1.00 0.00 C ATOM 1316 O ILE A 83 -11.938 -5.048 -0.308 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.082 -2.744 -0.383 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.948 -2.050 0.325 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.370 -1.932 -0.227 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.927 -0.628 -0.231 1.00 0.00 C ATOM 0 H ILE A 83 -13.418 -4.469 1.987 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.191 -4.539 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.858 -2.807 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.103 -2.047 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.001 -2.557 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.210 -0.921 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.170 -2.406 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.648 -1.890 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.123 -0.064 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.762 -0.661 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.881 -0.142 -0.024 1.00 0.00 H new ATOM 1332 N THR A 84 -13.797 -6.041 -1.289 1.00 0.00 N ATOM 1333 CA THR A 84 -13.106 -7.084 -2.050 1.00 0.00 C ATOM 1334 C THR A 84 -13.368 -6.882 -3.566 1.00 0.00 C ATOM 1335 O THR A 84 -14.362 -6.292 -3.973 1.00 0.00 O ATOM 1336 CB THR A 84 -13.579 -8.493 -1.607 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.919 -8.294 -0.175 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.396 -9.464 -1.882 1.00 0.00 C ATOM 0 H THR A 84 -14.811 -6.069 -1.396 1.00 0.00 H new ATOM 0 HA THR A 84 -12.036 -7.009 -1.856 1.00 0.00 H new ATOM 0 HB THR A 84 -14.438 -8.922 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.236 -9.139 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.678 -10.474 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.154 -9.451 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.525 -9.148 -1.308 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.435 -7.456 -4.357 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.523 -7.419 -5.825 1.00 0.00 C ATOM 1348 C PHE A 85 -12.053 -8.796 -6.356 1.00 0.00 C ATOM 1349 O PHE A 85 -11.495 -9.578 -5.599 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.723 -6.219 -6.346 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.280 -4.920 -5.794 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.365 -4.282 -6.405 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.727 -4.340 -4.647 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.884 -3.097 -5.877 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.247 -3.158 -4.126 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.332 -2.536 -4.730 1.00 0.00 C ATOM 0 H PHE A 85 -11.616 -7.948 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.540 -7.268 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.676 -6.322 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.755 -6.200 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.806 -4.710 -7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.888 -4.814 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.719 -2.614 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.802 -2.721 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.742 -1.628 -4.314 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.282 -9.081 -7.671 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.825 -10.352 -8.239 1.00 0.00 C ATOM 1368 C PRO A 86 -10.383 -10.233 -8.777 1.00 0.00 C ATOM 1369 O PRO A 86 -9.569 -11.121 -8.558 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.736 -10.558 -9.488 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.593 -9.291 -9.653 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.286 -8.384 -8.470 1.00 0.00 C ATOM 0 HA PRO A 86 -11.862 -11.147 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.132 -10.730 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.370 -11.435 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.362 -8.790 -10.593 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.653 -9.544 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.912 -7.417 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.185 -8.191 -7.884 1.00 0.00 H new ATOM 1380 N THR A 87 -10.074 -9.065 -9.384 1.00 0.00 N ATOM 1381 CA THR A 87 -8.717 -8.830 -9.891 1.00 0.00 C ATOM 1382 C THR A 87 -8.307 -7.486 -9.332 1.00 0.00 C ATOM 1383 O THR A 87 -9.110 -6.740 -8.782 1.00 0.00 O ATOM 1384 CB THR A 87 -8.577 -8.732 -11.436 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.278 -8.328 -11.974 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.796 -8.034 -12.067 1.00 0.00 C ATOM 0 H THR A 87 -10.728 -8.296 -9.529 1.00 0.00 H new ATOM 0 HA THR A 87 -8.109 -9.684 -9.590 1.00 0.00 H new ATOM 0 HB THR A 87 -8.587 -9.769 -11.773 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.401 -7.925 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.666 -7.982 -13.148 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.699 -8.600 -11.837 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.887 -7.026 -11.663 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.006 -7.207 -9.544 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.546 -5.937 -9.036 1.00 0.00 C ATOM 1396 C LEU A 88 -7.063 -4.825 -9.930 1.00 0.00 C ATOM 1397 O LEU A 88 -7.204 -3.718 -9.462 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.020 -5.751 -9.129 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.174 -6.380 -8.040 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.774 -5.821 -8.129 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.722 -6.001 -6.683 1.00 0.00 C ATOM 0 H LEU A 88 -6.322 -7.794 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.888 -5.910 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.689 -6.153 -10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.811 -4.681 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.181 -7.463 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.154 -6.266 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.351 -6.053 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.805 -4.740 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.110 -6.456 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.703 -4.917 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.748 -6.357 -6.593 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.348 -5.104 -11.212 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.805 -3.952 -11.990 1.00 0.00 C ATOM 1415 C GLN A 89 -9.174 -3.429 -11.523 1.00 0.00 C ATOM 1416 O GLN A 89 -9.416 -2.235 -11.544 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.663 -4.204 -13.481 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.816 -4.988 -14.060 1.00 0.00 C ATOM 1419 CD GLN A 89 -8.376 -6.108 -14.984 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -7.643 -7.010 -14.326 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -8.677 -6.150 -16.169 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.282 -6.005 -11.685 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.141 -3.111 -11.789 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.584 -3.248 -13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.735 -4.744 -13.666 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.406 -5.409 -13.246 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.469 -4.309 -14.609 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.244 -5.407 -16.578 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.361 -6.928 -16.748 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.037 -4.375 -11.089 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.354 -3.973 -10.601 1.00 0.00 C ATOM 1432 C ALA A 90 -11.229 -3.317 -9.213 1.00 0.00 C ATOM 1433 O ALA A 90 -12.117 -2.603 -8.762 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.252 -5.230 -10.462 1.00 0.00 C ATOM 0 H ALA A 90 -9.848 -5.377 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.788 -3.264 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.236 -4.936 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.354 -5.713 -11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.798 -5.926 -9.757 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.092 -3.603 -8.566 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.766 -3.019 -7.280 1.00 0.00 C ATOM 1442 C LEU A 91 -9.322 -1.565 -7.450 1.00 0.00 C ATOM 1443 O LEU A 91 -9.870 -0.658 -6.849 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.751 -3.947 -6.593 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.784 -3.267 -5.618 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.323 -4.222 -4.534 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.541 -2.721 -6.362 1.00 0.00 C ATOM 0 H LEU A 91 -9.383 -4.243 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.632 -2.952 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.299 -4.719 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.167 -4.451 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.328 -2.442 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.639 -3.705 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.186 -4.577 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.812 -5.070 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.870 -2.243 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.021 -3.543 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.855 -1.992 -7.109 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.390 -1.403 -8.411 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.736 -0.141 -8.704 1.00 0.00 C ATOM 1461 C VAL A 92 -8.719 0.856 -9.386 1.00 0.00 C ATOM 1462 O VAL A 92 -8.617 2.056 -9.177 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.481 -0.499 -9.557 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.655 0.689 -9.918 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.415 -1.336 -8.855 1.00 0.00 C ATOM 0 H VAL A 92 -8.075 -2.168 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.418 0.386 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.965 -1.016 -10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.798 0.370 -10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.257 1.388 -10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.305 1.179 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.590 -1.524 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.045 -0.797 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.848 -2.285 -8.539 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.647 0.284 -10.192 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.675 0.984 -10.949 1.00 0.00 C ATOM 1477 C GLN A 93 -11.579 1.731 -9.934 1.00 0.00 C ATOM 1478 O GLN A 93 -11.905 2.906 -10.039 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.533 0.126 -11.892 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.753 -0.537 -11.268 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.452 -1.450 -12.269 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.365 -1.292 -13.480 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.156 -2.412 -11.668 1.00 0.00 N ATOM 0 H GLN A 93 -9.688 -0.726 -10.328 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.149 1.657 -11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.868 0.754 -12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.900 -0.652 -12.319 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.450 -1.114 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.448 0.227 -10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.174 -2.471 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.676 -3.088 -12.227 1.00 0.00 H new ATOM 1492 N HIS A 94 -11.881 0.952 -8.843 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.783 1.473 -7.826 1.00 0.00 C ATOM 1494 C HIS A 94 -12.064 2.611 -7.092 1.00 0.00 C ATOM 1495 O HIS A 94 -12.642 3.660 -6.833 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.132 0.337 -6.851 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.283 0.738 -5.955 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.149 1.491 -4.841 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.644 0.420 -6.109 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.388 1.625 -4.333 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.312 0.988 -5.078 1.00 0.00 N ATOM 0 H HIS A 94 -11.521 0.013 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.704 1.852 -8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.395 -0.561 -7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.261 0.091 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.077 -0.169 -6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.615 2.178 -3.434 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.315 0.943 -4.900 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.747 2.374 -6.881 1.00 0.00 N ATOM 1510 CA TYR A 95 -9.924 3.391 -6.242 1.00 0.00 C ATOM 1511 C TYR A 95 -9.663 4.573 -7.215 1.00 0.00 C ATOM 1512 O TYR A 95 -9.221 5.631 -6.772 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.617 2.805 -5.680 1.00 0.00 C ATOM 1514 CG TYR A 95 -8.918 2.003 -4.457 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.436 2.615 -3.328 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.720 0.643 -4.454 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -9.808 1.876 -2.227 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.060 -0.134 -3.379 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.600 0.506 -2.229 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.958 -0.066 -1.032 1.00 0.00 O ATOM 0 H TYR A 95 -10.259 1.516 -7.138 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.477 3.780 -5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.135 2.178 -6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.920 3.607 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -9.550 3.689 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.284 0.174 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.257 2.359 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.922 -1.205 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.799 -1.032 -1.071 1.00 0.00 H new ATOM 1530 N SER A 96 -9.960 4.349 -8.535 1.00 0.00 N ATOM 1531 CA SER A 96 -9.763 5.460 -9.483 1.00 0.00 C ATOM 1532 C SER A 96 -10.936 6.438 -9.443 1.00 0.00 C ATOM 1533 O SER A 96 -10.931 7.455 -10.138 1.00 0.00 O ATOM 1534 CB SER A 96 -9.744 5.028 -10.991 1.00 0.00 C ATOM 1535 OG SER A 96 -8.484 4.492 -11.521 1.00 0.00 O ATOM 0 H SER A 96 -10.309 3.476 -8.930 1.00 0.00 H new ATOM 0 HA SER A 96 -8.807 5.878 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.519 4.275 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.023 5.893 -11.593 1.00 0.00 H new ATOM 0 HG SER A 96 -8.600 4.259 -12.466 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.951 6.098 -8.613 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.097 6.998 -8.591 1.00 0.00 C ATOM 1543 C LYS A 97 -13.148 7.845 -7.310 1.00 0.00 C ATOM 1544 O LYS A 97 -13.466 9.024 -7.334 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.368 6.131 -8.667 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.420 5.343 -9.970 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.935 6.092 -11.206 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.690 7.400 -11.450 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.871 7.207 -12.276 1.00 0.00 N ATOM 0 H LYS A 97 -11.994 5.280 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.018 7.686 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.393 5.443 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.250 6.766 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.819 4.441 -9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.448 5.022 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.872 6.308 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.043 5.449 -12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.984 7.831 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.025 8.117 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.350 8.119 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.589 6.820 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.519 6.543 -11.806 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.795 7.165 -6.225 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.775 7.758 -4.925 1.00 0.00 C ATOM 1565 C LYS A 98 -11.796 6.971 -4.055 1.00 0.00 C ATOM 1566 O LYS A 98 -11.533 5.803 -4.273 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.210 7.738 -4.381 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.290 8.524 -3.174 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.167 7.967 -1.842 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.435 8.859 -0.824 1.00 0.00 C ATOM 1571 NZ LYS A 98 -14.006 10.191 -0.681 1.00 0.00 N ATOM 0 H LYS A 98 -12.516 6.184 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.436 8.794 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.897 8.134 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.517 6.712 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.520 9.291 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.253 9.034 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.166 7.753 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.641 7.015 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.444 8.365 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.391 8.953 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.459 10.730 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.974 10.683 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.994 10.113 -0.364 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.276 7.697 -3.043 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.346 7.152 -2.075 1.00 0.00 C ATOM 1587 C GLY A 99 -10.975 5.929 -1.416 1.00 0.00 C ATOM 1588 O GLY A 99 -10.582 4.817 -1.712 1.00 0.00 O ATOM 0 H GLY A 99 -11.501 8.680 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.411 6.877 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.103 7.902 -1.322 1.00 0.00 H new ATOM 1592 N ASP A 100 -11.845 6.186 -0.419 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.523 5.069 0.253 1.00 0.00 C ATOM 1594 C ASP A 100 -11.523 4.233 1.070 1.00 0.00 C ATOM 1595 O ASP A 100 -11.174 3.103 0.763 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.333 4.314 -0.772 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.358 3.307 -0.108 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -14.105 2.646 0.921 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -15.480 3.337 -0.585 1.00 0.00 O ATOM 0 H ASP A 100 -12.085 7.116 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.233 5.420 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.877 5.023 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.660 3.763 -1.429 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.054 4.925 2.114 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.080 4.311 2.995 1.00 0.00 C ATOM 1606 C GLY A 101 -8.685 4.824 2.679 1.00 0.00 C ATOM 1607 O GLY A 101 -7.880 5.019 3.583 1.00 0.00 O ATOM 0 H GLY A 101 -11.327 5.877 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.329 4.531 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.110 3.227 2.883 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.438 5.031 1.356 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.096 5.496 1.027 1.00 0.00 C ATOM 1613 C LEU A 102 -7.009 7.022 0.962 1.00 0.00 C ATOM 1614 O LEU A 102 -5.924 7.554 0.789 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.615 4.948 -0.331 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.100 3.531 -0.674 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.563 3.120 -2.040 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.707 2.478 0.381 1.00 0.00 C ATOM 0 H LEU A 102 -9.088 4.896 0.582 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.461 5.124 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.945 5.628 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.525 4.954 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.189 3.567 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.909 2.115 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.922 3.817 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.473 3.134 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.081 1.501 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.621 2.440 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.141 2.748 1.344 1.00 0.00 H new ATOM 1630 N CYS A 103 -8.174 7.688 1.191 1.00 0.00 N ATOM 1631 CA CYS A 103 -8.336 9.146 1.175 1.00 0.00 C ATOM 1632 C CYS A 103 -7.662 9.854 -0.033 1.00 0.00 C ATOM 1633 O CYS A 103 -7.576 11.073 -0.060 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.905 9.754 2.526 1.00 0.00 C ATOM 1635 SG CYS A 103 -6.384 9.066 3.229 1.00 0.00 S ATOM 0 H CYS A 103 -9.045 7.199 1.397 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.401 9.332 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.774 10.828 2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.714 9.615 3.244 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.703 8.473 2.294 1.00 0.00 H new ATOM 1641 N GLN A 104 -7.205 9.058 -1.025 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.525 9.622 -2.170 1.00 0.00 C ATOM 1643 C GLN A 104 -6.701 8.678 -3.340 1.00 0.00 C ATOM 1644 O GLN A 104 -5.964 7.721 -3.538 1.00 0.00 O ATOM 1645 CB GLN A 104 -5.024 9.802 -1.851 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.682 11.069 -1.038 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.620 10.820 0.477 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.217 9.764 0.943 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.013 11.869 1.212 1.00 0.00 N ATOM 0 H GLN A 104 -7.301 8.043 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.944 10.598 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.677 8.929 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.468 9.828 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.722 11.460 -1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.428 11.836 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.338 12.720 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.987 11.817 2.230 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.700 9.061 -4.134 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.002 8.311 -5.327 1.00 0.00 C ATOM 1660 C LYS A 105 -6.847 8.482 -6.330 1.00 0.00 C ATOM 1661 O LYS A 105 -5.968 9.323 -6.177 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.304 8.813 -5.864 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.194 10.059 -6.726 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.467 10.844 -6.553 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.542 11.481 -5.164 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.365 12.686 -5.144 1.00 0.00 N ATOM 0 H LYS A 105 -8.297 9.871 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.100 7.244 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.770 8.021 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.970 9.024 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.332 10.656 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.049 9.790 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.524 11.621 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.325 10.188 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.947 10.757 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.535 11.727 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.383 13.078 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.966 13.390 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.334 12.450 -5.440 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.934 7.659 -7.369 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.916 7.658 -8.412 1.00 0.00 C ATOM 1682 C LEU A 106 -6.158 8.815 -9.389 1.00 0.00 C ATOM 1683 O LEU A 106 -7.245 8.973 -9.932 1.00 0.00 O ATOM 1684 CB LEU A 106 -5.963 6.344 -9.217 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.073 5.096 -8.322 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.553 3.780 -8.934 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.262 5.260 -7.055 1.00 0.00 C ATOM 0 H LEU A 106 -7.691 6.990 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.946 7.764 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.813 6.372 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.065 6.267 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.149 5.022 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.680 2.970 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.114 3.553 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.496 3.885 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.359 4.364 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.214 5.413 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.629 6.122 -6.497 1.00 0.00 H new ATOM 1699 N THR A 107 -5.083 9.599 -9.568 1.00 0.00 N ATOM 1700 CA THR A 107 -5.155 10.746 -10.468 1.00 0.00 C ATOM 1701 C THR A 107 -4.350 10.456 -11.743 1.00 0.00 C ATOM 1702 O THR A 107 -4.913 10.344 -12.823 1.00 0.00 O ATOM 1703 CB THR A 107 -4.621 12.004 -9.790 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.264 11.769 -9.251 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.453 12.252 -8.501 1.00 0.00 C ATOM 0 H THR A 107 -4.181 9.461 -9.113 1.00 0.00 H new ATOM 0 HA THR A 107 -6.200 10.916 -10.729 1.00 0.00 H new ATOM 0 HB THR A 107 -4.652 12.810 -10.523 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.001 12.526 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.088 13.148 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.502 12.386 -8.765 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.353 11.396 -7.833 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.019 10.337 -11.559 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.120 10.054 -12.671 1.00 0.00 C ATOM 1715 C LEU A 108 -1.063 9.059 -12.218 1.00 0.00 C ATOM 1716 O LEU A 108 -0.221 9.444 -11.429 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.428 11.298 -13.204 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.368 12.206 -14.010 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.447 13.639 -13.467 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -1.936 12.198 -15.474 1.00 0.00 C ATOM 0 H LEU A 108 -2.557 10.433 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.727 9.646 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.013 11.863 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.590 11.000 -13.834 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.376 11.803 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.128 14.225 -14.084 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.813 13.619 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.456 14.092 -13.490 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.599 12.841 -16.053 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.913 12.566 -15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.987 11.181 -15.863 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.103 7.794 -12.724 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.136 6.737 -12.380 1.00 0.00 C ATOM 1734 C PRO A 109 1.272 7.090 -12.902 1.00 0.00 C ATOM 1735 O PRO A 109 1.747 6.623 -13.924 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.645 5.472 -13.074 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.939 5.851 -13.773 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.146 7.362 -13.613 1.00 0.00 C ATOM 0 HA PRO A 109 -0.056 6.611 -11.300 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.088 5.101 -13.790 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.815 4.675 -12.350 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.893 5.583 -14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.778 5.305 -13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.080 7.872 -14.574 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.131 7.583 -13.201 1.00 0.00 H new ATOM 1746 N CYS A 110 1.929 7.888 -12.065 1.00 0.00 N ATOM 1747 CA CYS A 110 3.275 8.401 -12.345 1.00 0.00 C ATOM 1748 C CYS A 110 3.404 8.882 -13.822 1.00 0.00 C ATOM 1749 O CYS A 110 2.436 9.331 -14.424 1.00 0.00 O ATOM 1750 CB CYS A 110 4.318 7.342 -11.957 1.00 0.00 C ATOM 1751 SG CYS A 110 4.605 6.060 -13.200 1.00 0.00 S ATOM 0 H CYS A 110 1.547 8.200 -11.172 1.00 0.00 H new ATOM 0 HA CYS A 110 3.463 9.285 -11.735 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.263 7.844 -11.749 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.001 6.864 -11.030 1.00 0.00 H new ATOM 0 HG CYS A 110 5.588 5.299 -12.820 1.00 0.00 H new