USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 58 LYS NZ :NH3+ -106:sc= 0.766 (180deg=-0.915) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= -0.0625 F(o=-0.26,f=0.7) USER MOD Single : A 16 THR OG1 : rot 43:sc= 0.569 USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= 0.159 (180deg=0) USER MOD Single : A 30 MET CE :methyl -164:sc= -0.0155 (180deg=-0.625) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 23:sc= 0.0921 USER MOD Single : A 37 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.9!) USER MOD Single : A 43 SER OG : rot -105:sc= 0.86 USER MOD Single : A 44 MET CE :methyl -170:sc= 0 (180deg=-0.0729) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 46 ASN : amide:sc= 0.843 K(o=0.84,f=-0.15) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -130:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.000929 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -179:sc= -1.74 USER MOD Single : A 86 SER OG : rot 47:sc= 0.00859 USER MOD Single : A 88 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-1.5) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0.821 (180deg=0.245) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.0193 (180deg=-0.197) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 174:sc= -0.673 (180deg=-0.832) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.196 -1.371 -5.292 1.00 0.00 N ATOM 191 CA THR A 16 -11.002 -0.348 -4.639 1.00 0.00 C ATOM 192 C THR A 16 -11.830 -0.941 -3.504 1.00 0.00 C ATOM 193 O THR A 16 -12.835 -1.611 -3.742 1.00 0.00 O ATOM 194 CB THR A 16 -11.945 0.347 -5.639 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.733 -0.629 -6.329 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.155 1.172 -6.644 1.00 0.00 C ATOM 0 HA THR A 16 -10.309 0.389 -4.232 1.00 0.00 H new ATOM 0 HB THR A 16 -12.602 1.015 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.044 -1.307 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.842 1.653 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.579 1.933 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.477 0.521 -7.196 1.00 0.00 H new ATOM 204 N ILE A 17 -11.402 -0.690 -2.272 1.00 0.00 N ATOM 205 CA ILE A 17 -12.106 -1.198 -1.101 1.00 0.00 C ATOM 206 C ILE A 17 -12.216 -0.129 -0.019 1.00 0.00 C ATOM 207 O ILE A 17 -11.206 0.378 0.471 1.00 0.00 O ATOM 208 CB ILE A 17 -11.402 -2.436 -0.515 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.387 -3.573 -1.538 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.092 -2.879 0.767 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.432 -4.692 -1.184 1.00 0.00 C ATOM 0 H ILE A 17 -10.571 -0.138 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.106 -1.481 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.371 -2.172 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.394 -3.981 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.116 -3.170 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.584 -3.755 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.056 -2.071 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.131 -3.129 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.474 -5.463 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.418 -4.298 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.715 -5.122 -0.223 1.00 0.00 H new ATOM 223 N ILE A 18 -13.447 0.207 0.350 1.00 0.00 N ATOM 224 CA ILE A 18 -13.689 1.213 1.377 1.00 0.00 C ATOM 225 C ILE A 18 -13.800 0.575 2.757 1.00 0.00 C ATOM 226 O ILE A 18 -14.505 -0.419 2.938 1.00 0.00 O ATOM 227 CB ILE A 18 -14.972 2.014 1.089 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.845 2.762 -0.240 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.256 2.986 2.225 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.690 3.737 -0.277 1.00 0.00 C ATOM 0 H ILE A 18 -14.293 -0.203 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.836 1.891 1.361 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.808 1.318 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.724 2.037 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.772 3.302 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.166 3.545 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.385 2.432 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.421 3.679 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.661 4.230 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.819 4.484 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.755 3.200 -0.115 1.00 0.00 H new ATOM 242 N LEU A 19 -13.102 1.152 3.728 1.00 0.00 N ATOM 243 CA LEU A 19 -13.123 0.641 5.094 1.00 0.00 C ATOM 244 C LEU A 19 -14.114 1.422 5.952 1.00 0.00 C ATOM 245 O LEU A 19 -14.170 2.651 5.916 1.00 0.00 O ATOM 246 CB LEU A 19 -11.725 0.718 5.711 1.00 0.00 C ATOM 247 CG LEU A 19 -11.419 -0.301 6.808 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.396 -1.710 6.236 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.094 0.024 7.483 1.00 0.00 C ATOM 0 H LEU A 19 -12.514 1.975 3.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.441 -0.401 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.991 0.596 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.586 1.718 6.122 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.209 -0.248 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.177 -2.422 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.368 -1.941 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.627 -1.778 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.892 -0.712 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.293 -0.001 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.146 1.018 7.928 1.00 0.00 H new ATOM 261 N PRO A 20 -14.913 0.693 6.746 1.00 0.00 N ATOM 262 CA PRO A 20 -15.914 1.297 7.630 1.00 0.00 C ATOM 263 C PRO A 20 -15.279 2.049 8.795 1.00 0.00 C ATOM 264 O PRO A 20 -14.056 2.141 8.893 1.00 0.00 O ATOM 265 CB PRO A 20 -16.709 0.092 8.141 1.00 0.00 C ATOM 266 CG PRO A 20 -15.764 -1.055 8.040 1.00 0.00 C ATOM 267 CD PRO A 20 -14.901 -0.776 6.840 1.00 0.00 C ATOM 0 HA PRO A 20 -16.523 2.038 7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.040 0.243 9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.602 -0.077 7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.160 -1.144 8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.303 -1.995 7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.890 -1.162 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.303 -1.240 5.939 1.00 0.00 H new ATOM 275 N GLU A 21 -16.119 2.584 9.676 1.00 0.00 N ATOM 276 CA GLU A 21 -15.639 3.329 10.834 1.00 0.00 C ATOM 277 C GLU A 21 -15.490 2.413 12.046 1.00 0.00 C ATOM 278 O GLU A 21 -15.384 2.879 13.180 1.00 0.00 O ATOM 279 CB GLU A 21 -16.595 4.477 11.163 1.00 0.00 C ATOM 280 CG GLU A 21 -18.007 4.019 11.488 1.00 0.00 C ATOM 281 CD GLU A 21 -18.902 5.158 11.935 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.201 6.039 11.102 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.303 5.170 13.118 1.00 0.00 O ATOM 0 H GLU A 21 -17.135 2.515 9.610 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.660 3.741 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.199 5.036 12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.630 5.163 10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.442 3.544 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.968 3.263 12.272 1.00 0.00 H new ATOM 290 N ASP A 22 -15.485 1.108 11.797 1.00 0.00 N ATOM 291 CA ASP A 22 -15.349 0.126 12.866 1.00 0.00 C ATOM 292 C ASP A 22 -13.929 -0.429 12.917 1.00 0.00 C ATOM 293 O ASP A 22 -13.551 -1.109 13.872 1.00 0.00 O ATOM 294 CB ASP A 22 -16.349 -1.014 12.671 1.00 0.00 C ATOM 295 CG ASP A 22 -17.689 -0.726 13.317 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.739 -0.632 14.561 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.689 -0.595 12.580 1.00 0.00 O ATOM 0 H ASP A 22 -15.574 0.706 10.864 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.559 0.625 13.812 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.493 -1.188 11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.936 -1.931 13.091 1.00 0.00 H new ATOM 302 N ILE A 23 -13.147 -0.136 11.883 1.00 0.00 N ATOM 303 CA ILE A 23 -11.769 -0.606 11.810 1.00 0.00 C ATOM 304 C ILE A 23 -10.795 0.473 12.269 1.00 0.00 C ATOM 305 O ILE A 23 -11.042 1.664 12.084 1.00 0.00 O ATOM 306 CB ILE A 23 -11.398 -1.043 10.380 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.638 -1.548 9.640 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.322 -2.118 10.417 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.485 -2.497 10.457 1.00 0.00 C ATOM 0 H ILE A 23 -13.444 0.425 11.084 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.694 -1.466 12.475 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.004 -0.180 9.843 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.247 -0.694 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.325 -2.050 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.071 -2.416 9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.433 -1.726 10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.691 -2.983 10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.346 -2.814 9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.892 -3.369 10.732 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.828 -1.993 11.360 1.00 0.00 H new ATOM 321 N GLU A 24 -9.687 0.047 12.867 1.00 0.00 N ATOM 322 CA GLU A 24 -8.675 0.978 13.352 1.00 0.00 C ATOM 323 C GLU A 24 -7.477 1.019 12.408 1.00 0.00 C ATOM 324 O GLU A 24 -6.708 0.061 12.320 1.00 0.00 O ATOM 325 CB GLU A 24 -8.217 0.583 14.757 1.00 0.00 C ATOM 326 CG GLU A 24 -6.929 1.262 15.191 1.00 0.00 C ATOM 327 CD GLU A 24 -6.418 0.747 16.523 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.596 -0.457 16.802 1.00 0.00 O ATOM 329 OE2 GLU A 24 -5.840 1.549 17.286 1.00 0.00 O ATOM 0 H GLU A 24 -9.467 -0.936 13.027 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.121 1.972 13.389 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.005 0.828 15.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.079 -0.498 14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.166 1.106 14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.095 2.337 15.261 1.00 0.00 H new ATOM 336 N LEU A 25 -7.325 2.134 11.702 1.00 0.00 N ATOM 337 CA LEU A 25 -6.221 2.301 10.763 1.00 0.00 C ATOM 338 C LEU A 25 -4.954 2.747 11.486 1.00 0.00 C ATOM 339 O LEU A 25 -4.893 3.849 12.032 1.00 0.00 O ATOM 340 CB LEU A 25 -6.592 3.321 9.685 1.00 0.00 C ATOM 341 CG LEU A 25 -7.579 2.842 8.620 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.862 3.950 7.617 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.043 1.605 7.914 1.00 0.00 C ATOM 0 H LEU A 25 -7.952 2.936 11.762 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.029 1.337 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.014 4.199 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.677 3.642 9.186 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.515 2.578 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.566 3.591 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.290 4.809 8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.933 4.246 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.758 1.278 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.093 1.842 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.893 0.807 8.641 1.00 0.00 H new ATOM 355 N LYS A 26 -3.943 1.885 11.484 1.00 0.00 N ATOM 356 CA LYS A 26 -2.675 2.190 12.137 1.00 0.00 C ATOM 357 C LYS A 26 -1.660 2.722 11.130 1.00 0.00 C ATOM 358 O LYS A 26 -1.596 2.279 9.983 1.00 0.00 O ATOM 359 CB LYS A 26 -2.120 0.943 12.827 1.00 0.00 C ATOM 360 CG LYS A 26 -2.949 0.485 14.014 1.00 0.00 C ATOM 361 CD LYS A 26 -2.863 -1.020 14.207 1.00 0.00 C ATOM 362 CE LYS A 26 -3.942 -1.746 13.418 1.00 0.00 C ATOM 363 NZ LYS A 26 -5.189 -1.918 14.214 1.00 0.00 N ATOM 0 H LYS A 26 -3.977 0.969 11.037 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.856 2.961 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.061 0.132 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.103 1.146 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.603 0.989 14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.989 0.775 13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.881 -1.373 13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.963 -1.258 15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.165 -1.187 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.571 -2.723 13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.448 -2.925 14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.032 -1.576 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.959 -1.374 13.775 1.00 0.00 H new ATOM 377 N PRO A 27 -0.845 3.693 11.567 1.00 0.00 N ATOM 378 CA PRO A 27 0.184 4.304 10.721 1.00 0.00 C ATOM 379 C PRO A 27 1.330 3.345 10.417 1.00 0.00 C ATOM 380 O PRO A 27 2.130 3.020 11.295 1.00 0.00 O ATOM 381 CB PRO A 27 0.682 5.483 11.561 1.00 0.00 C ATOM 382 CG PRO A 27 0.395 5.091 12.970 1.00 0.00 C ATOM 383 CD PRO A 27 -0.864 4.270 12.922 1.00 0.00 C ATOM 0 HA PRO A 27 -0.210 4.594 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.747 5.657 11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.167 6.405 11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.220 4.516 13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.264 5.970 13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.868 3.495 13.689 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.750 4.884 13.085 1.00 0.00 H new ATOM 391 N LEU A 28 1.404 2.896 9.169 1.00 0.00 N ATOM 392 CA LEU A 28 2.453 1.973 8.748 1.00 0.00 C ATOM 393 C LEU A 28 3.706 2.731 8.324 1.00 0.00 C ATOM 394 O LEU A 28 4.826 2.272 8.543 1.00 0.00 O ATOM 395 CB LEU A 28 1.958 1.097 7.596 1.00 0.00 C ATOM 396 CG LEU A 28 3.024 0.619 6.610 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.570 -0.650 5.907 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.340 1.709 5.596 1.00 0.00 C ATOM 0 H LEU A 28 0.750 3.156 8.431 1.00 0.00 H new ATOM 0 HA LEU A 28 2.705 1.337 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.464 0.222 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.202 1.654 7.042 1.00 0.00 H new ATOM 0 HG LEU A 28 3.933 0.395 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.342 -0.975 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.395 -1.432 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.647 -0.453 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.101 1.351 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.436 1.965 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.710 2.593 6.115 1.00 0.00 H new ATOM 410 N GLY A 29 3.509 3.897 7.716 1.00 0.00 N ATOM 411 CA GLY A 29 4.633 4.702 7.272 1.00 0.00 C ATOM 412 C GLY A 29 4.209 5.837 6.362 1.00 0.00 C ATOM 413 O GLY A 29 3.022 6.142 6.250 1.00 0.00 O ATOM 0 H GLY A 29 2.592 4.299 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.149 5.110 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.346 4.067 6.747 1.00 0.00 H new ATOM 417 N MET A 30 5.182 6.466 5.711 1.00 0.00 N ATOM 418 CA MET A 30 4.903 7.575 4.806 1.00 0.00 C ATOM 419 C MET A 30 5.693 7.431 3.509 1.00 0.00 C ATOM 420 O MET A 30 6.866 7.058 3.523 1.00 0.00 O ATOM 421 CB MET A 30 5.242 8.907 5.477 1.00 0.00 C ATOM 422 CG MET A 30 5.322 10.074 4.507 1.00 0.00 C ATOM 423 SD MET A 30 6.980 10.308 3.838 1.00 0.00 S ATOM 424 CE MET A 30 7.697 11.382 5.079 1.00 0.00 C ATOM 0 H MET A 30 6.170 6.227 5.793 1.00 0.00 H new ATOM 0 HA MET A 30 3.840 7.557 4.567 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.488 9.125 6.234 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.196 8.811 5.996 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.623 9.908 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.007 10.986 5.015 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.601 11.843 4.682 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.980 12.159 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.946 10.798 5.965 1.00 0.00 H new ATOM 434 N VAL A 31 5.042 7.728 2.388 1.00 0.00 N ATOM 435 CA VAL A 31 5.685 7.633 1.083 1.00 0.00 C ATOM 436 C VAL A 31 7.047 8.317 1.089 1.00 0.00 C ATOM 437 O VAL A 31 7.137 9.544 1.130 1.00 0.00 O ATOM 438 CB VAL A 31 4.812 8.261 -0.019 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.515 8.185 -1.366 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.454 7.577 -0.078 1.00 0.00 C ATOM 0 H VAL A 31 4.070 8.036 2.358 1.00 0.00 H new ATOM 0 HA VAL A 31 5.817 6.572 0.872 1.00 0.00 H new ATOM 0 HB VAL A 31 4.654 9.312 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.883 8.634 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.461 8.725 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.706 7.142 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.850 8.034 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.589 6.517 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.948 7.689 0.881 1.00 0.00 H new ATOM 450 N SER A 32 8.106 7.515 1.048 1.00 0.00 N ATOM 451 CA SER A 32 9.465 8.043 1.053 1.00 0.00 C ATOM 452 C SER A 32 9.980 8.229 -0.372 1.00 0.00 C ATOM 453 O SER A 32 10.653 9.213 -0.676 1.00 0.00 O ATOM 454 CB SER A 32 10.396 7.106 1.825 1.00 0.00 C ATOM 455 OG SER A 32 11.455 7.827 2.432 1.00 0.00 O ATOM 0 H SER A 32 8.049 6.497 1.011 1.00 0.00 H new ATOM 0 HA SER A 32 9.449 9.015 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.830 6.573 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.804 6.355 1.149 1.00 0.00 H new ATOM 0 HG SER A 32 12.035 7.207 2.921 1.00 0.00 H new ATOM 461 N SER A 33 9.659 7.275 -1.240 1.00 0.00 N ATOM 462 CA SER A 33 10.092 7.330 -2.631 1.00 0.00 C ATOM 463 C SER A 33 9.038 6.723 -3.552 1.00 0.00 C ATOM 464 O SER A 33 8.053 6.145 -3.091 1.00 0.00 O ATOM 465 CB SER A 33 11.421 6.593 -2.804 1.00 0.00 C ATOM 466 OG SER A 33 12.515 7.429 -2.469 1.00 0.00 O ATOM 0 H SER A 33 9.101 6.455 -1.004 1.00 0.00 H new ATOM 0 HA SER A 33 10.228 8.377 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.432 5.704 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.521 6.254 -3.835 1.00 0.00 H new ATOM 0 HG SER A 33 12.211 8.141 -1.868 1.00 0.00 H new ATOM 472 N ILE A 34 9.251 6.860 -4.856 1.00 0.00 N ATOM 473 CA ILE A 34 8.321 6.325 -5.843 1.00 0.00 C ATOM 474 C ILE A 34 9.063 5.613 -6.969 1.00 0.00 C ATOM 475 O ILE A 34 9.979 6.172 -7.573 1.00 0.00 O ATOM 476 CB ILE A 34 7.440 7.435 -6.446 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.355 7.852 -5.451 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.817 6.966 -7.752 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.798 8.935 -4.493 1.00 0.00 C ATOM 0 H ILE A 34 10.060 7.337 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 34 7.685 5.610 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 34 8.066 8.302 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.482 8.201 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.042 6.978 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.197 7.761 -8.166 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.605 6.714 -8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.201 6.086 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.979 9.180 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.652 8.582 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.083 9.824 -5.056 1.00 0.00 H new ATOM 491 N ILE A 35 8.661 4.377 -7.246 1.00 0.00 N ATOM 492 CA ILE A 35 9.286 3.590 -8.301 1.00 0.00 C ATOM 493 C ILE A 35 8.639 3.871 -9.653 1.00 0.00 C ATOM 494 O ILE A 35 7.495 4.319 -9.723 1.00 0.00 O ATOM 495 CB ILE A 35 9.196 2.081 -8.006 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.984 1.740 -6.739 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.713 1.278 -9.190 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.697 0.354 -6.204 1.00 0.00 C ATOM 0 H ILE A 35 7.906 3.900 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 35 10.335 3.884 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 35 8.151 1.819 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.050 1.826 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.751 2.474 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.643 0.214 -8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.114 1.504 -10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.753 1.541 -9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.290 0.181 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.638 0.270 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.957 -0.388 -6.959 1.00 0.00 H new ATOM 510 N GLU A 36 9.379 3.603 -10.725 1.00 0.00 N ATOM 511 CA GLU A 36 8.876 3.826 -12.075 1.00 0.00 C ATOM 512 C GLU A 36 7.372 3.574 -12.144 1.00 0.00 C ATOM 513 O GLU A 36 6.624 4.378 -12.699 1.00 0.00 O ATOM 514 CB GLU A 36 9.603 2.919 -13.070 1.00 0.00 C ATOM 515 CG GLU A 36 11.108 3.125 -13.095 1.00 0.00 C ATOM 516 CD GLU A 36 11.754 2.555 -14.342 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.803 3.271 -15.364 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.211 1.394 -14.297 1.00 0.00 O ATOM 0 H GLU A 36 10.328 3.231 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 36 9.065 4.867 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.391 1.879 -12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.204 3.096 -14.069 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.326 4.191 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.550 2.657 -12.215 1.00 0.00 H new ATOM 525 N GLN A 37 6.940 2.452 -11.578 1.00 0.00 N ATOM 526 CA GLN A 37 5.526 2.094 -11.576 1.00 0.00 C ATOM 527 C GLN A 37 5.024 1.867 -10.155 1.00 0.00 C ATOM 528 O GLN A 37 3.869 2.158 -9.839 1.00 0.00 O ATOM 529 CB GLN A 37 5.296 0.837 -12.418 1.00 0.00 C ATOM 530 CG GLN A 37 6.487 -0.108 -12.438 1.00 0.00 C ATOM 531 CD GLN A 37 7.449 0.189 -13.571 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.152 0.987 -14.460 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.611 -0.453 -13.544 1.00 0.00 N ATOM 0 H GLN A 37 7.548 1.776 -11.115 1.00 0.00 H new ATOM 0 HA GLN A 37 4.967 2.922 -12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.427 0.305 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.060 1.133 -13.440 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.017 -0.038 -11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.130 -1.134 -12.529 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.815 -1.106 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.299 -0.293 -14.280 1.00 0.00 H new ATOM 542 N LEU A 38 5.896 1.344 -9.300 1.00 0.00 N ATOM 543 CA LEU A 38 5.541 1.078 -7.911 1.00 0.00 C ATOM 544 C LEU A 38 5.867 2.276 -7.026 1.00 0.00 C ATOM 545 O LEU A 38 6.471 3.249 -7.478 1.00 0.00 O ATOM 546 CB LEU A 38 6.281 -0.161 -7.403 1.00 0.00 C ATOM 547 CG LEU A 38 6.114 -1.432 -8.238 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.759 -1.442 -8.930 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.237 -1.550 -9.259 1.00 0.00 C ATOM 0 H LEU A 38 6.855 1.096 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 38 4.467 0.897 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.344 0.074 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.944 -0.370 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 38 6.164 -2.292 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.658 -2.353 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.968 -1.405 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.679 -0.575 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.103 -2.460 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.218 -0.685 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.196 -1.589 -8.742 1.00 0.00 H new ATOM 561 N VAL A 39 5.465 2.198 -5.761 1.00 0.00 N ATOM 562 CA VAL A 39 5.717 3.275 -4.811 1.00 0.00 C ATOM 563 C VAL A 39 6.450 2.760 -3.578 1.00 0.00 C ATOM 564 O VAL A 39 6.236 1.627 -3.145 1.00 0.00 O ATOM 565 CB VAL A 39 4.405 3.952 -4.369 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.696 5.145 -3.471 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.590 4.375 -5.582 1.00 0.00 C ATOM 0 H VAL A 39 4.964 1.400 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 39 6.342 4.008 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 39 3.819 3.232 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.758 5.610 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.237 4.811 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.302 5.870 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.667 4.851 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.168 5.079 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.351 3.498 -6.183 1.00 0.00 H new ATOM 577 N ILE A 40 7.314 3.599 -3.016 1.00 0.00 N ATOM 578 CA ILE A 40 8.078 3.228 -1.831 1.00 0.00 C ATOM 579 C ILE A 40 7.553 3.946 -0.593 1.00 0.00 C ATOM 580 O ILE A 40 7.409 5.169 -0.586 1.00 0.00 O ATOM 581 CB ILE A 40 9.574 3.550 -2.003 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.126 2.862 -3.253 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.353 3.122 -0.768 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.161 1.354 -3.147 1.00 0.00 C ATOM 0 H ILE A 40 7.502 4.540 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 40 7.959 2.152 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 40 9.687 4.627 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.517 3.144 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.135 3.228 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.409 3.356 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.973 3.654 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.236 2.049 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.563 0.934 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.794 1.063 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.151 0.977 -2.987 1.00 0.00 H new ATOM 596 N ILE A 41 7.271 3.178 0.454 1.00 0.00 N ATOM 597 CA ILE A 41 6.765 3.741 1.700 1.00 0.00 C ATOM 598 C ILE A 41 7.724 3.469 2.855 1.00 0.00 C ATOM 599 O ILE A 41 8.129 2.330 3.082 1.00 0.00 O ATOM 600 CB ILE A 41 5.379 3.171 2.054 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.394 3.422 0.910 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.866 3.788 3.346 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.300 2.381 0.815 1.00 0.00 C ATOM 0 H ILE A 41 7.384 2.164 0.464 1.00 0.00 H new ATOM 0 HA ILE A 41 6.678 4.817 1.548 1.00 0.00 H new ATOM 0 HB ILE A 41 5.472 2.095 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.940 4.404 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.942 3.448 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.885 3.375 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.559 3.564 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.785 4.868 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.639 2.623 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.745 1.399 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.727 2.370 1.742 1.00 0.00 H new ATOM 615 N GLU A 42 8.080 4.524 3.582 1.00 0.00 N ATOM 616 CA GLU A 42 8.990 4.399 4.714 1.00 0.00 C ATOM 617 C GLU A 42 8.217 4.175 6.011 1.00 0.00 C ATOM 618 O GLU A 42 7.312 4.940 6.346 1.00 0.00 O ATOM 619 CB GLU A 42 9.862 5.649 4.836 1.00 0.00 C ATOM 620 CG GLU A 42 10.357 5.910 6.249 1.00 0.00 C ATOM 621 CD GLU A 42 11.271 7.117 6.333 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.795 8.241 6.071 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.463 6.938 6.662 1.00 0.00 O ATOM 0 H GLU A 42 7.752 5.474 3.407 1.00 0.00 H new ATOM 0 HA GLU A 42 9.630 3.534 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.721 5.549 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.293 6.513 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.502 6.060 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.889 5.030 6.612 1.00 0.00 H new ATOM 630 N SER A 43 8.580 3.122 6.735 1.00 0.00 N ATOM 631 CA SER A 43 7.919 2.794 7.993 1.00 0.00 C ATOM 632 C SER A 43 8.453 3.660 9.129 1.00 0.00 C ATOM 633 O SER A 43 9.566 4.181 9.057 1.00 0.00 O ATOM 634 CB SER A 43 8.117 1.315 8.327 1.00 0.00 C ATOM 635 OG SER A 43 9.412 1.079 8.852 1.00 0.00 O ATOM 0 H SER A 43 9.328 2.481 6.472 1.00 0.00 H new ATOM 0 HA SER A 43 6.854 2.993 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.365 0.999 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.970 0.714 7.430 1.00 0.00 H new ATOM 0 HG SER A 43 9.968 0.649 8.169 1.00 0.00 H new ATOM 641 N MET A 44 7.652 3.809 10.179 1.00 0.00 N ATOM 642 CA MET A 44 8.044 4.611 11.332 1.00 0.00 C ATOM 643 C MET A 44 8.462 3.719 12.497 1.00 0.00 C ATOM 644 O MET A 44 9.642 3.637 12.838 1.00 0.00 O ATOM 645 CB MET A 44 6.894 5.525 11.760 1.00 0.00 C ATOM 646 CG MET A 44 5.986 5.936 10.613 1.00 0.00 C ATOM 647 SD MET A 44 5.244 7.560 10.863 1.00 0.00 S ATOM 648 CE MET A 44 5.163 8.159 9.177 1.00 0.00 C ATOM 0 H MET A 44 6.728 3.385 10.255 1.00 0.00 H new ATOM 0 HA MET A 44 8.897 5.225 11.043 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.300 5.016 12.519 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.306 6.420 12.225 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.558 5.941 9.685 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.196 5.194 10.496 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.894 9.215 9.179 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.134 8.033 8.699 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.411 7.594 8.626 1.00 0.00 H new ATOM 658 N THR A 45 7.486 3.053 13.107 1.00 0.00 N ATOM 659 CA THR A 45 7.752 2.170 14.235 1.00 0.00 C ATOM 660 C THR A 45 6.484 1.448 14.678 1.00 0.00 C ATOM 661 O THR A 45 5.398 1.706 14.161 1.00 0.00 O ATOM 662 CB THR A 45 8.333 2.945 15.431 1.00 0.00 C ATOM 663 OG1 THR A 45 8.657 2.039 16.492 1.00 0.00 O ATOM 664 CG2 THR A 45 7.345 3.988 15.932 1.00 0.00 C ATOM 0 H THR A 45 6.504 3.109 12.838 1.00 0.00 H new ATOM 0 HA THR A 45 8.485 1.437 13.897 1.00 0.00 H new ATOM 0 HB THR A 45 9.238 3.454 15.100 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.028 2.540 17.248 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.778 4.523 16.777 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.123 4.694 15.131 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.425 3.496 16.247 1.00 0.00 H new ATOM 672 N ASN A 46 6.630 0.543 15.640 1.00 0.00 N ATOM 673 CA ASN A 46 5.496 -0.216 16.154 1.00 0.00 C ATOM 674 C ASN A 46 4.724 -0.878 15.017 1.00 0.00 C ATOM 675 O ASN A 46 3.511 -1.074 15.106 1.00 0.00 O ATOM 676 CB ASN A 46 4.565 0.697 16.954 1.00 0.00 C ATOM 677 CG ASN A 46 3.839 -0.044 18.061 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.173 0.095 19.238 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.841 -0.835 17.687 1.00 0.00 N ATOM 0 H ASN A 46 7.522 0.317 16.079 1.00 0.00 H new ATOM 0 HA ASN A 46 5.881 -0.996 16.811 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.144 1.513 17.386 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.834 1.146 16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.315 -1.359 18.387 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.600 -0.919 16.700 1.00 0.00 H new ATOM 686 N LEU A 47 5.435 -1.222 13.948 1.00 0.00 N ATOM 687 CA LEU A 47 4.818 -1.863 12.792 1.00 0.00 C ATOM 688 C LEU A 47 4.576 -3.345 13.057 1.00 0.00 C ATOM 689 O LEU A 47 5.487 -4.096 13.406 1.00 0.00 O ATOM 690 CB LEU A 47 5.703 -1.691 11.556 1.00 0.00 C ATOM 691 CG LEU A 47 5.441 -0.443 10.712 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.297 0.717 11.195 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.709 -0.729 9.241 1.00 0.00 C ATOM 0 H LEU A 47 6.439 -1.068 13.858 1.00 0.00 H new ATOM 0 HA LEU A 47 3.856 -1.383 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.744 -1.675 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.579 -2.568 10.920 1.00 0.00 H new ATOM 0 HG LEU A 47 4.393 -0.165 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.097 1.596 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.058 0.937 12.235 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.351 0.450 11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.518 0.170 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.748 -1.031 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.053 -1.530 8.901 1.00 0.00 H new ATOM 705 N PRO A 48 3.318 -3.780 12.885 1.00 0.00 N ATOM 706 CA PRO A 48 2.928 -5.177 13.097 1.00 0.00 C ATOM 707 C PRO A 48 3.498 -6.106 12.031 1.00 0.00 C ATOM 708 O PRO A 48 3.878 -5.680 10.941 1.00 0.00 O ATOM 709 CB PRO A 48 1.400 -5.135 13.008 1.00 0.00 C ATOM 710 CG PRO A 48 1.102 -3.942 12.166 1.00 0.00 C ATOM 711 CD PRO A 48 2.181 -2.941 12.470 1.00 0.00 C ATOM 0 HA PRO A 48 3.304 -5.566 14.043 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.004 -6.046 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.948 -5.045 13.996 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.098 -4.202 11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.117 -3.537 12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.426 -2.336 11.597 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.880 -2.253 13.260 1.00 0.00 H new ATOM 719 N PRO A 49 3.561 -7.407 12.352 1.00 0.00 N ATOM 720 CA PRO A 49 4.083 -8.424 11.434 1.00 0.00 C ATOM 721 C PRO A 49 3.159 -8.661 10.245 1.00 0.00 C ATOM 722 O PRO A 49 2.393 -9.624 10.223 1.00 0.00 O ATOM 723 CB PRO A 49 4.164 -9.680 12.306 1.00 0.00 C ATOM 724 CG PRO A 49 3.148 -9.466 13.374 1.00 0.00 C ATOM 725 CD PRO A 49 3.125 -7.986 13.634 1.00 0.00 C ATOM 0 HA PRO A 49 5.037 -8.128 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.947 -10.578 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.161 -9.805 12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.168 -9.822 13.057 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.410 -10.017 14.277 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.129 -7.642 13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.796 -7.711 14.448 1.00 0.00 H new ATOM 733 N VAL A 50 3.236 -7.776 9.256 1.00 0.00 N ATOM 734 CA VAL A 50 2.408 -7.890 8.061 1.00 0.00 C ATOM 735 C VAL A 50 3.228 -8.364 6.867 1.00 0.00 C ATOM 736 O VAL A 50 4.378 -7.964 6.693 1.00 0.00 O ATOM 737 CB VAL A 50 1.740 -6.547 7.711 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.459 -6.363 8.510 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.702 -5.394 7.958 1.00 0.00 C ATOM 0 H VAL A 50 3.864 -6.972 9.259 1.00 0.00 H new ATOM 0 HA VAL A 50 1.634 -8.626 8.281 1.00 0.00 H new ATOM 0 HB VAL A 50 1.481 -6.555 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.001 -5.409 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.233 -7.173 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.690 -6.376 9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.214 -4.453 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.993 -5.382 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.589 -5.521 7.337 1.00 0.00 H new ATOM 749 N ASN A 51 2.628 -9.219 6.045 1.00 0.00 N ATOM 750 CA ASN A 51 3.303 -9.748 4.866 1.00 0.00 C ATOM 751 C ASN A 51 2.879 -8.990 3.611 1.00 0.00 C ATOM 752 O ASN A 51 1.912 -8.231 3.630 1.00 0.00 O ATOM 753 CB ASN A 51 2.997 -11.238 4.703 1.00 0.00 C ATOM 754 CG ASN A 51 3.259 -12.025 5.973 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.338 -12.568 6.581 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.522 -12.088 6.379 1.00 0.00 N ATOM 0 H ASN A 51 1.675 -9.560 6.174 1.00 0.00 H new ATOM 0 HA ASN A 51 4.376 -9.617 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.954 -11.362 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.605 -11.645 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.760 -12.602 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.254 -11.622 5.843 1.00 0.00 H new ATOM 763 N GLU A 52 3.611 -9.204 2.522 1.00 0.00 N ATOM 764 CA GLU A 52 3.311 -8.541 1.258 1.00 0.00 C ATOM 765 C GLU A 52 1.837 -8.700 0.897 1.00 0.00 C ATOM 766 O GLU A 52 1.183 -7.745 0.482 1.00 0.00 O ATOM 767 CB GLU A 52 4.186 -9.108 0.139 1.00 0.00 C ATOM 768 CG GLU A 52 4.586 -10.559 0.354 1.00 0.00 C ATOM 769 CD GLU A 52 4.811 -11.301 -0.949 1.00 0.00 C ATOM 770 OE1 GLU A 52 3.812 -11.687 -1.592 1.00 0.00 O ATOM 771 OE2 GLU A 52 5.985 -11.496 -1.326 1.00 0.00 O ATOM 0 H GLU A 52 4.415 -9.831 2.490 1.00 0.00 H new ATOM 0 HA GLU A 52 3.526 -7.479 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.651 -9.024 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.087 -8.501 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.497 -10.596 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.809 -11.065 0.927 1.00 0.00 H new ATOM 778 N GLU A 53 1.322 -9.915 1.058 1.00 0.00 N ATOM 779 CA GLU A 53 -0.074 -10.200 0.748 1.00 0.00 C ATOM 780 C GLU A 53 -0.998 -9.189 1.421 1.00 0.00 C ATOM 781 O GLU A 53 -2.148 -9.017 1.017 1.00 0.00 O ATOM 782 CB GLU A 53 -0.440 -11.618 1.193 1.00 0.00 C ATOM 783 CG GLU A 53 -1.927 -11.918 1.108 1.00 0.00 C ATOM 784 CD GLU A 53 -2.212 -13.382 0.833 1.00 0.00 C ATOM 785 OE1 GLU A 53 -1.271 -14.106 0.445 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.374 -13.803 1.006 1.00 0.00 O ATOM 0 H GLU A 53 1.850 -10.717 1.401 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.203 -10.122 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.102 -12.335 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.106 -11.765 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.406 -11.628 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.372 -11.311 0.320 1.00 0.00 H new ATOM 793 N THR A 54 -0.487 -8.524 2.452 1.00 0.00 N ATOM 794 CA THR A 54 -1.265 -7.532 3.183 1.00 0.00 C ATOM 795 C THR A 54 -1.598 -6.335 2.300 1.00 0.00 C ATOM 796 O THR A 54 -0.763 -5.872 1.523 1.00 0.00 O ATOM 797 CB THR A 54 -0.514 -7.039 4.434 1.00 0.00 C ATOM 798 OG1 THR A 54 -0.327 -8.122 5.352 1.00 0.00 O ATOM 799 CG2 THR A 54 -1.278 -5.915 5.117 1.00 0.00 C ATOM 0 H THR A 54 0.463 -8.655 2.800 1.00 0.00 H new ATOM 0 HA THR A 54 -2.189 -8.021 3.492 1.00 0.00 H new ATOM 0 HB THR A 54 0.458 -6.658 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.620 -7.847 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.728 -5.584 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.393 -5.080 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.262 -6.274 5.418 1.00 0.00 H new ATOM 807 N VAL A 55 -2.824 -5.836 2.425 1.00 0.00 N ATOM 808 CA VAL A 55 -3.268 -4.691 1.639 1.00 0.00 C ATOM 809 C VAL A 55 -3.025 -3.385 2.387 1.00 0.00 C ATOM 810 O VAL A 55 -3.226 -3.305 3.599 1.00 0.00 O ATOM 811 CB VAL A 55 -4.763 -4.797 1.286 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.166 -3.689 0.326 1.00 0.00 C ATOM 813 CG2 VAL A 55 -5.075 -6.164 0.696 1.00 0.00 C ATOM 0 H VAL A 55 -3.528 -6.207 3.064 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.685 -4.694 0.718 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.343 -4.680 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.226 -3.781 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.981 -2.720 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.581 -3.770 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.136 -6.222 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.486 -6.313 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.827 -6.939 1.422 1.00 0.00 H new ATOM 823 N ILE A 56 -2.592 -2.363 1.656 1.00 0.00 N ATOM 824 CA ILE A 56 -2.323 -1.059 2.250 1.00 0.00 C ATOM 825 C ILE A 56 -3.452 -0.078 1.956 1.00 0.00 C ATOM 826 O ILE A 56 -3.757 0.205 0.797 1.00 0.00 O ATOM 827 CB ILE A 56 -0.997 -0.468 1.734 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.145 -1.465 1.942 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.695 0.846 2.437 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.115 -2.147 3.292 1.00 0.00 C ATOM 0 H ILE A 56 -2.420 -2.413 0.652 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.249 -1.212 3.327 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.093 -0.272 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.101 -2.223 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.096 -0.944 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.245 1.252 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.499 1.556 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.613 0.674 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.953 -2.839 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.190 -1.398 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.820 -2.696 3.401 1.00 0.00 H new ATOM 842 N PHE A 57 -4.069 0.440 3.013 1.00 0.00 N ATOM 843 CA PHE A 57 -5.165 1.391 2.868 1.00 0.00 C ATOM 844 C PHE A 57 -4.648 2.826 2.912 1.00 0.00 C ATOM 845 O PHE A 57 -3.640 3.116 3.555 1.00 0.00 O ATOM 846 CB PHE A 57 -6.203 1.177 3.972 1.00 0.00 C ATOM 847 CG PHE A 57 -7.007 -0.080 3.803 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.379 -1.312 3.701 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.390 -0.031 3.746 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.117 -2.470 3.544 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.134 -1.186 3.590 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.496 -2.407 3.490 1.00 0.00 C ATOM 0 H PHE A 57 -3.829 0.217 3.979 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.635 1.222 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.695 1.147 4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.880 2.031 3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.301 -1.367 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.894 0.921 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.616 -3.423 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.212 -1.134 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.074 -3.311 3.370 1.00 0.00 H new ATOM 862 N LYS A 58 -5.347 3.721 2.222 1.00 0.00 N ATOM 863 CA LYS A 58 -4.962 5.127 2.181 1.00 0.00 C ATOM 864 C LYS A 58 -5.564 5.891 3.356 1.00 0.00 C ATOM 865 O LYS A 58 -6.361 5.346 4.120 1.00 0.00 O ATOM 866 CB LYS A 58 -5.412 5.762 0.863 1.00 0.00 C ATOM 867 CG LYS A 58 -4.429 5.556 -0.277 1.00 0.00 C ATOM 868 CD LYS A 58 -5.137 5.503 -1.621 1.00 0.00 C ATOM 869 CE LYS A 58 -6.105 6.665 -1.787 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.825 6.605 -3.089 1.00 0.00 N ATOM 0 H LYS A 58 -6.184 3.497 1.683 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.876 5.182 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.378 5.344 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.560 6.831 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.700 6.366 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.876 4.630 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.399 5.525 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.678 4.561 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.828 6.655 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.559 7.606 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.443 7.329 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.697 5.664 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.838 6.780 -2.934 1.00 0.00 H new ATOM 884 N SER A 59 -5.178 7.155 3.494 1.00 0.00 N ATOM 885 CA SER A 59 -5.678 7.993 4.578 1.00 0.00 C ATOM 886 C SER A 59 -7.195 8.131 4.502 1.00 0.00 C ATOM 887 O SER A 59 -7.873 8.228 5.525 1.00 0.00 O ATOM 888 CB SER A 59 -5.024 9.375 4.526 1.00 0.00 C ATOM 889 OG SER A 59 -5.780 10.266 3.723 1.00 0.00 O ATOM 0 H SER A 59 -4.521 7.622 2.869 1.00 0.00 H new ATOM 0 HA SER A 59 -5.422 7.514 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.934 9.777 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.014 9.288 4.126 1.00 0.00 H new ATOM 0 HG SER A 59 -5.343 11.143 3.707 1.00 0.00 H new ATOM 895 N ASP A 60 -7.722 8.140 3.283 1.00 0.00 N ATOM 896 CA ASP A 60 -9.159 8.266 3.071 1.00 0.00 C ATOM 897 C ASP A 60 -9.837 6.900 3.120 1.00 0.00 C ATOM 898 O ASP A 60 -10.873 6.688 2.490 1.00 0.00 O ATOM 899 CB ASP A 60 -9.441 8.942 1.728 1.00 0.00 C ATOM 900 CG ASP A 60 -8.464 8.517 0.650 1.00 0.00 C ATOM 901 OD1 ASP A 60 -7.882 7.419 0.776 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.281 9.282 -0.320 1.00 0.00 O ATOM 0 H ASP A 60 -7.175 8.061 2.426 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.567 8.883 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.456 8.702 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.393 10.024 1.852 1.00 0.00 H new ATOM 907 N ARG A 61 -9.244 5.977 3.870 1.00 0.00 N ATOM 908 CA ARG A 61 -9.789 4.631 3.999 1.00 0.00 C ATOM 909 C ARG A 61 -10.017 4.003 2.627 1.00 0.00 C ATOM 910 O ARG A 61 -11.011 3.311 2.408 1.00 0.00 O ATOM 911 CB ARG A 61 -11.104 4.663 4.781 1.00 0.00 C ATOM 912 CG ARG A 61 -11.053 5.542 6.020 1.00 0.00 C ATOM 913 CD ARG A 61 -12.137 5.161 7.017 1.00 0.00 C ATOM 914 NE ARG A 61 -13.428 5.752 6.674 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.787 6.984 7.017 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.956 7.752 7.708 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.979 7.450 6.668 1.00 0.00 N ATOM 0 H ARG A 61 -8.386 6.137 4.398 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.065 4.024 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.899 5.019 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.366 3.647 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.075 5.451 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.173 6.586 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.233 4.076 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.843 5.487 8.015 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.090 5.188 6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.038 7.397 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.234 8.698 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.621 6.862 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.254 8.396 6.932 1.00 0.00 H new ATOM 931 N GLN A 62 -9.089 4.250 1.708 1.00 0.00 N ATOM 932 CA GLN A 62 -9.190 3.710 0.357 1.00 0.00 C ATOM 933 C GLN A 62 -8.007 2.799 0.046 1.00 0.00 C ATOM 934 O GLN A 62 -6.854 3.228 0.086 1.00 0.00 O ATOM 935 CB GLN A 62 -9.258 4.845 -0.666 1.00 0.00 C ATOM 936 CG GLN A 62 -10.661 5.387 -0.881 1.00 0.00 C ATOM 937 CD GLN A 62 -10.664 6.775 -1.491 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.085 6.901 -2.679 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.181 7.724 -0.901 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.260 4.820 1.874 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.105 3.121 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.610 5.658 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.865 4.489 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.213 4.708 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.187 5.413 0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.615 7.582 0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.175 8.652 -1.324 1.00 0.00 H new ATOM 948 N ALA A 63 -8.301 1.541 -0.264 1.00 0.00 N ATOM 949 CA ALA A 63 -7.261 0.570 -0.584 1.00 0.00 C ATOM 950 C ALA A 63 -6.408 1.045 -1.756 1.00 0.00 C ATOM 951 O ALA A 63 -6.843 1.011 -2.906 1.00 0.00 O ATOM 952 CB ALA A 63 -7.881 -0.784 -0.895 1.00 0.00 C ATOM 0 H ALA A 63 -9.250 1.170 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.612 0.469 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.093 -1.499 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.441 -1.135 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.553 -0.689 -1.748 1.00 0.00 H new ATOM 958 N ALA A 64 -5.192 1.489 -1.455 1.00 0.00 N ATOM 959 CA ALA A 64 -4.278 1.970 -2.483 1.00 0.00 C ATOM 960 C ALA A 64 -3.693 0.810 -3.283 1.00 0.00 C ATOM 961 O ALA A 64 -3.470 0.924 -4.487 1.00 0.00 O ATOM 962 CB ALA A 64 -3.165 2.796 -1.856 1.00 0.00 C ATOM 0 H ALA A 64 -4.817 1.525 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.842 2.603 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.490 3.149 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.596 3.651 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.611 2.181 -1.147 1.00 0.00 H new ATOM 968 N GLY A 65 -3.445 -0.306 -2.604 1.00 0.00 N ATOM 969 CA GLY A 65 -2.887 -1.469 -3.267 1.00 0.00 C ATOM 970 C GLY A 65 -2.158 -2.390 -2.308 1.00 0.00 C ATOM 971 O GLY A 65 -1.824 -1.996 -1.190 1.00 0.00 O ATOM 0 H GLY A 65 -3.621 -0.425 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.687 -2.022 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.199 -1.143 -4.047 1.00 0.00 H new ATOM 975 N LYS A 66 -1.912 -3.621 -2.744 1.00 0.00 N ATOM 976 CA LYS A 66 -1.219 -4.601 -1.917 1.00 0.00 C ATOM 977 C LYS A 66 0.293 -4.444 -2.038 1.00 0.00 C ATOM 978 O LYS A 66 0.804 -4.068 -3.093 1.00 0.00 O ATOM 979 CB LYS A 66 -1.629 -6.020 -2.320 1.00 0.00 C ATOM 980 CG LYS A 66 -2.881 -6.514 -1.615 1.00 0.00 C ATOM 981 CD LYS A 66 -3.136 -7.985 -1.898 1.00 0.00 C ATOM 982 CE LYS A 66 -4.535 -8.401 -1.470 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.926 -9.715 -2.053 1.00 0.00 N ATOM 0 H LYS A 66 -2.183 -3.963 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.502 -4.428 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.793 -6.050 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.807 -6.702 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.779 -6.362 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.739 -5.926 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.007 -8.179 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.398 -8.591 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.580 -8.458 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.251 -7.639 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.885 -9.963 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.908 -9.653 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.258 -10.447 -1.738 1.00 0.00 H new ATOM 997 N ILE A 67 1.003 -4.736 -0.953 1.00 0.00 N ATOM 998 CA ILE A 67 2.456 -4.629 -0.940 1.00 0.00 C ATOM 999 C ILE A 67 3.075 -5.407 -2.096 1.00 0.00 C ATOM 1000 O ILE A 67 2.797 -6.593 -2.280 1.00 0.00 O ATOM 1001 CB ILE A 67 3.047 -5.144 0.385 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.025 -4.039 1.443 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.465 -5.652 0.171 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.939 -4.560 2.860 1.00 0.00 C ATOM 0 H ILE A 67 0.595 -5.048 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 67 2.695 -3.571 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 67 2.435 -5.973 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.925 -3.432 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.175 -3.383 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.869 -6.013 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.454 -6.467 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.089 -4.841 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.928 -3.721 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.025 -5.142 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.802 -5.193 3.068 1.00 0.00 H new ATOM 1016 N PHE A 68 3.917 -4.733 -2.873 1.00 0.00 N ATOM 1017 CA PHE A 68 4.576 -5.362 -4.012 1.00 0.00 C ATOM 1018 C PHE A 68 5.900 -5.993 -3.592 1.00 0.00 C ATOM 1019 O PHE A 68 6.301 -7.030 -4.122 1.00 0.00 O ATOM 1020 CB PHE A 68 4.817 -4.334 -5.120 1.00 0.00 C ATOM 1021 CG PHE A 68 5.683 -4.847 -6.235 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.221 -5.835 -7.090 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.958 -4.341 -6.429 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.016 -6.309 -8.116 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.757 -4.810 -7.454 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.285 -5.795 -8.299 1.00 0.00 C ATOM 0 H PHE A 68 4.159 -3.752 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 68 3.922 -6.148 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.857 -4.022 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.282 -3.448 -4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.229 -6.239 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.332 -3.571 -5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.645 -7.081 -8.774 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.749 -4.407 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.907 -6.163 -9.102 1.00 0.00 H new ATOM 1036 N GLU A 69 6.575 -5.360 -2.638 1.00 0.00 N ATOM 1037 CA GLU A 69 7.855 -5.860 -2.148 1.00 0.00 C ATOM 1038 C GLU A 69 8.303 -5.087 -0.911 1.00 0.00 C ATOM 1039 O GLU A 69 7.963 -3.916 -0.741 1.00 0.00 O ATOM 1040 CB GLU A 69 8.920 -5.756 -3.242 1.00 0.00 C ATOM 1041 CG GLU A 69 10.334 -5.997 -2.740 1.00 0.00 C ATOM 1042 CD GLU A 69 11.235 -6.600 -3.800 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.087 -6.232 -4.984 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.087 -7.440 -3.445 1.00 0.00 O ATOM 0 H GLU A 69 6.258 -4.501 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 69 7.727 -6.907 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.694 -6.478 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.868 -4.766 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.761 -5.053 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.301 -6.661 -1.876 1.00 0.00 H new ATOM 1051 N ILE A 70 9.068 -5.751 -0.051 1.00 0.00 N ATOM 1052 CA ILE A 70 9.563 -5.127 1.170 1.00 0.00 C ATOM 1053 C ILE A 70 11.081 -5.234 1.265 1.00 0.00 C ATOM 1054 O ILE A 70 11.659 -6.285 0.988 1.00 0.00 O ATOM 1055 CB ILE A 70 8.936 -5.766 2.423 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.410 -5.671 2.361 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.463 -5.093 3.681 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.707 -6.596 3.330 1.00 0.00 C ATOM 0 H ILE A 70 9.358 -6.721 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 70 9.277 -4.076 1.126 1.00 0.00 H new ATOM 0 HB ILE A 70 9.215 -6.819 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.109 -4.644 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.081 -5.901 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.010 -5.556 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.546 -5.207 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.211 -4.033 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.628 -6.475 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.978 -7.628 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.007 -6.352 4.349 1.00 0.00 H new ATOM 1070 N PHE A 71 11.722 -4.138 1.659 1.00 0.00 N ATOM 1071 CA PHE A 71 13.174 -4.108 1.792 1.00 0.00 C ATOM 1072 C PHE A 71 13.596 -3.195 2.939 1.00 0.00 C ATOM 1073 O PHE A 71 12.770 -2.506 3.535 1.00 0.00 O ATOM 1074 CB PHE A 71 13.817 -3.636 0.486 1.00 0.00 C ATOM 1075 CG PHE A 71 13.341 -2.283 0.039 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.809 -1.132 0.652 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.426 -2.162 -0.994 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.374 0.114 0.243 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.988 -0.919 -1.408 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.462 0.221 -0.788 1.00 0.00 C ATOM 0 H PHE A 71 11.259 -3.259 1.892 1.00 0.00 H new ATOM 0 HA PHE A 71 13.515 -5.120 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.899 -3.608 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.606 -4.364 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.522 -1.210 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.051 -3.050 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.747 1.003 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.276 -0.838 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.120 1.194 -1.109 1.00 0.00 H new ATOM 1090 N GLY A 72 14.891 -3.197 3.243 1.00 0.00 N ATOM 1091 CA GLY A 72 15.401 -2.366 4.318 1.00 0.00 C ATOM 1092 C GLY A 72 15.735 -3.167 5.561 1.00 0.00 C ATOM 1093 O GLY A 72 15.853 -4.392 5.523 1.00 0.00 O ATOM 0 H GLY A 72 15.595 -3.759 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.294 -1.842 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.661 -1.605 4.567 1.00 0.00 H new ATOM 1097 N PRO A 73 15.896 -2.468 6.695 1.00 0.00 N ATOM 1098 CA PRO A 73 16.223 -3.102 7.976 1.00 0.00 C ATOM 1099 C PRO A 73 15.062 -3.921 8.530 1.00 0.00 C ATOM 1100 O PRO A 73 14.121 -4.251 7.807 1.00 0.00 O ATOM 1101 CB PRO A 73 16.524 -1.914 8.892 1.00 0.00 C ATOM 1102 CG PRO A 73 15.768 -0.776 8.299 1.00 0.00 C ATOM 1103 CD PRO A 73 15.771 -1.006 6.813 1.00 0.00 C ATOM 0 HA PRO A 73 17.049 -3.807 7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.203 -2.112 9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.593 -1.703 8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.750 -0.740 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.237 0.176 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.855 -0.642 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.601 -0.491 6.328 1.00 0.00 H new ATOM 1111 N VAL A 74 15.134 -4.246 9.817 1.00 0.00 N ATOM 1112 CA VAL A 74 14.088 -5.025 10.468 1.00 0.00 C ATOM 1113 C VAL A 74 13.283 -4.164 11.435 1.00 0.00 C ATOM 1114 O VAL A 74 12.290 -4.616 12.005 1.00 0.00 O ATOM 1115 CB VAL A 74 14.676 -6.225 11.234 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.543 -5.747 12.389 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.564 -7.135 11.732 1.00 0.00 C ATOM 0 H VAL A 74 15.906 -3.982 10.429 1.00 0.00 H new ATOM 0 HA VAL A 74 13.431 -5.393 9.680 1.00 0.00 H new ATOM 0 HB VAL A 74 15.304 -6.798 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.950 -6.608 12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.361 -5.139 12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.940 -5.151 13.074 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.997 -7.978 12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.908 -6.576 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.989 -7.504 10.883 1.00 0.00 H new ATOM 1127 N ALA A 75 13.717 -2.921 11.614 1.00 0.00 N ATOM 1128 CA ALA A 75 13.035 -1.995 12.510 1.00 0.00 C ATOM 1129 C ALA A 75 12.452 -0.815 11.740 1.00 0.00 C ATOM 1130 O ALA A 75 11.420 -0.262 12.121 1.00 0.00 O ATOM 1131 CB ALA A 75 13.990 -1.504 13.588 1.00 0.00 C ATOM 0 H ALA A 75 14.538 -2.532 11.150 1.00 0.00 H new ATOM 0 HA ALA A 75 12.211 -2.528 12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.467 -0.813 14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.355 -2.354 14.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.833 -0.993 13.122 1.00 0.00 H new ATOM 1137 N HIS A 76 13.120 -0.434 10.656 1.00 0.00 N ATOM 1138 CA HIS A 76 12.667 0.682 9.832 1.00 0.00 C ATOM 1139 C HIS A 76 12.626 0.287 8.359 1.00 0.00 C ATOM 1140 O HIS A 76 13.102 1.010 7.484 1.00 0.00 O ATOM 1141 CB HIS A 76 13.585 1.889 10.023 1.00 0.00 C ATOM 1142 CG HIS A 76 13.553 2.453 11.410 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.927 3.640 11.726 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.072 1.984 12.569 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.064 3.878 13.018 1.00 0.00 C ATOM 1146 NE2 HIS A 76 13.755 2.888 13.553 1.00 0.00 N ATOM 0 H HIS A 76 13.976 -0.881 10.328 1.00 0.00 H new ATOM 0 HA HIS A 76 11.658 0.949 10.147 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.608 1.599 9.781 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.299 2.668 9.316 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.631 1.069 12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.677 4.736 13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.012 2.808 14.537 1.00 0.00 H new ATOM 1154 N PRO A 77 12.043 -0.888 8.076 1.00 0.00 N ATOM 1155 CA PRO A 77 11.926 -1.405 6.710 1.00 0.00 C ATOM 1156 C PRO A 77 10.939 -0.602 5.869 1.00 0.00 C ATOM 1157 O PRO A 77 10.005 0.001 6.397 1.00 0.00 O ATOM 1158 CB PRO A 77 11.415 -2.833 6.913 1.00 0.00 C ATOM 1159 CG PRO A 77 10.711 -2.800 8.226 1.00 0.00 C ATOM 1160 CD PRO A 77 11.453 -1.801 9.069 1.00 0.00 C ATOM 0 HA PRO A 77 12.872 -1.348 6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.741 -3.130 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.236 -3.550 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.668 -2.508 8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.713 -3.784 8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.785 -1.275 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.219 -2.280 9.679 1.00 0.00 H new ATOM 1168 N PHE A 78 11.153 -0.598 4.557 1.00 0.00 N ATOM 1169 CA PHE A 78 10.282 0.132 3.643 1.00 0.00 C ATOM 1170 C PHE A 78 9.423 -0.829 2.826 1.00 0.00 C ATOM 1171 O PHE A 78 9.911 -1.843 2.326 1.00 0.00 O ATOM 1172 CB PHE A 78 11.113 1.012 2.707 1.00 0.00 C ATOM 1173 CG PHE A 78 12.288 1.661 3.381 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.399 0.913 3.736 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.281 3.018 3.659 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.483 1.507 4.356 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.362 3.618 4.278 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.463 2.861 4.628 1.00 0.00 C ATOM 0 H PHE A 78 11.922 -1.092 4.103 1.00 0.00 H new ATOM 0 HA PHE A 78 9.623 0.765 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.471 0.406 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.472 1.787 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.419 -0.146 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.422 3.614 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.344 0.913 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.346 4.677 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.307 3.327 5.114 1.00 0.00 H new ATOM 1188 N TYR A 79 8.142 -0.503 2.696 1.00 0.00 N ATOM 1189 CA TYR A 79 7.213 -1.338 1.943 1.00 0.00 C ATOM 1190 C TYR A 79 6.920 -0.730 0.576 1.00 0.00 C ATOM 1191 O TYR A 79 6.824 0.489 0.433 1.00 0.00 O ATOM 1192 CB TYR A 79 5.910 -1.520 2.724 1.00 0.00 C ATOM 1193 CG TYR A 79 6.112 -2.059 4.122 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.654 -1.263 5.123 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.759 -3.364 4.442 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.841 -1.751 6.402 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.940 -3.860 5.718 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.482 -3.050 6.695 1.00 0.00 C ATOM 1199 OH TYR A 79 6.665 -3.540 7.967 1.00 0.00 O ATOM 0 H TYR A 79 7.723 0.334 3.102 1.00 0.00 H new ATOM 0 HA TYR A 79 7.678 -2.312 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.395 -0.561 2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.258 -2.198 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.934 -0.245 4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.336 -4.001 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.266 -1.119 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.659 -4.877 5.950 1.00 0.00 H new ATOM 0 HH TYR A 79 6.360 -4.470 8.006 1.00 0.00 H new ATOM 1209 N VAL A 80 6.777 -1.589 -0.429 1.00 0.00 N ATOM 1210 CA VAL A 80 6.492 -1.138 -1.786 1.00 0.00 C ATOM 1211 C VAL A 80 5.041 -1.412 -2.163 1.00 0.00 C ATOM 1212 O VAL A 80 4.422 -2.348 -1.655 1.00 0.00 O ATOM 1213 CB VAL A 80 7.415 -1.824 -2.810 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.294 -1.154 -4.171 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.857 -1.804 -2.324 1.00 0.00 C ATOM 0 H VAL A 80 6.854 -2.601 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 80 6.673 -0.063 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 80 7.104 -2.864 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.953 -1.652 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.264 -1.224 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.578 -0.105 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.496 -2.293 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.182 -0.772 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.928 -2.333 -1.373 1.00 0.00 H new ATOM 1225 N LEU A 81 4.502 -0.590 -3.057 1.00 0.00 N ATOM 1226 CA LEU A 81 3.122 -0.744 -3.504 1.00 0.00 C ATOM 1227 C LEU A 81 3.067 -1.130 -4.978 1.00 0.00 C ATOM 1228 O LEU A 81 3.766 -0.550 -5.809 1.00 0.00 O ATOM 1229 CB LEU A 81 2.344 0.553 -3.275 1.00 0.00 C ATOM 1230 CG LEU A 81 1.720 0.726 -1.890 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.720 1.871 -1.894 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.053 -0.566 -1.440 1.00 0.00 C ATOM 0 H LEU A 81 5.000 0.190 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 81 2.664 -1.543 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.015 1.393 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.550 0.613 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 81 2.514 0.967 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.286 1.979 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.227 2.795 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.071 1.661 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.614 -0.424 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.271 -0.838 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.796 -1.363 -1.396 1.00 0.00 H new ATOM 1244 N ARG A 82 2.229 -2.112 -5.297 1.00 0.00 N ATOM 1245 CA ARG A 82 2.082 -2.575 -6.671 1.00 0.00 C ATOM 1246 C ARG A 82 1.109 -1.688 -7.442 1.00 0.00 C ATOM 1247 O ARG A 82 0.043 -1.332 -6.938 1.00 0.00 O ATOM 1248 CB ARG A 82 1.595 -4.025 -6.694 1.00 0.00 C ATOM 1249 CG ARG A 82 2.081 -4.811 -7.901 1.00 0.00 C ATOM 1250 CD ARG A 82 1.566 -6.242 -7.877 1.00 0.00 C ATOM 1251 NE ARG A 82 1.859 -6.908 -6.611 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.553 -8.176 -6.360 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.948 -8.911 -7.283 1.00 0.00 N ATOM 1254 NH2 ARG A 82 1.852 -8.711 -5.183 1.00 0.00 N ATOM 0 H ARG A 82 1.642 -2.602 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 82 3.058 -2.519 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.929 -4.526 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.505 -4.034 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.749 -4.319 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.171 -4.815 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.489 -6.243 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.017 -6.803 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 82 2.324 -6.370 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.716 -8.503 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.714 -9.884 -7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.317 -8.148 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.617 -9.685 -4.991 1.00 0.00 H new ATOM 1268 N PHE A 83 1.482 -1.333 -8.667 1.00 0.00 N ATOM 1269 CA PHE A 83 0.643 -0.487 -9.508 1.00 0.00 C ATOM 1270 C PHE A 83 0.963 -0.699 -10.984 1.00 0.00 C ATOM 1271 O PHE A 83 2.116 -0.598 -11.401 1.00 0.00 O ATOM 1272 CB PHE A 83 0.837 0.986 -9.138 1.00 0.00 C ATOM 1273 CG PHE A 83 0.109 1.391 -7.889 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.274 1.484 -7.876 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.807 1.679 -6.727 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.947 1.856 -6.727 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.139 2.052 -5.576 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.239 2.142 -5.576 1.00 0.00 C ATOM 0 H PHE A 83 2.360 -1.618 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.397 -0.764 -9.337 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.901 1.183 -9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.496 1.608 -9.966 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.832 1.263 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.885 1.611 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.025 1.923 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.695 2.273 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.762 2.435 -4.678 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.067 -0.993 -11.771 1.00 0.00 N ATOM 1289 CA ASN A 84 0.103 -1.220 -13.201 1.00 0.00 C ATOM 1290 C ASN A 84 1.031 -0.175 -13.811 1.00 0.00 C ATOM 1291 O ASN A 84 2.074 -0.508 -14.374 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.253 -1.190 -13.908 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.951 -2.537 -13.878 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.692 -3.401 -14.716 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.841 -2.720 -12.910 1.00 0.00 N ATOM 0 H ASN A 84 -1.029 -1.080 -11.442 1.00 0.00 H new ATOM 0 HA ASN A 84 0.554 -2.203 -13.337 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.890 -0.443 -13.434 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.113 -0.879 -14.943 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.342 -3.605 -12.839 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.023 -1.975 -12.237 1.00 0.00 H new ATOM 1302 N SER A 85 0.644 1.092 -13.696 1.00 0.00 N ATOM 1303 CA SER A 85 1.439 2.187 -14.239 1.00 0.00 C ATOM 1304 C SER A 85 1.304 3.437 -13.375 1.00 0.00 C ATOM 1305 O SER A 85 0.400 3.537 -12.545 1.00 0.00 O ATOM 1306 CB SER A 85 1.008 2.496 -15.674 1.00 0.00 C ATOM 1307 OG SER A 85 -0.405 2.516 -15.789 1.00 0.00 O ATOM 0 H SER A 85 -0.215 1.385 -13.231 1.00 0.00 H new ATOM 0 HA SER A 85 2.484 1.878 -14.240 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.415 3.460 -15.980 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.421 1.747 -16.350 1.00 0.00 H new ATOM 0 HG SER A 85 -0.655 2.701 -16.718 1.00 0.00 H new ATOM 1313 N SER A 86 2.209 4.389 -13.576 1.00 0.00 N ATOM 1314 CA SER A 86 2.195 5.632 -12.814 1.00 0.00 C ATOM 1315 C SER A 86 0.770 6.152 -12.651 1.00 0.00 C ATOM 1316 O SER A 86 0.321 6.427 -11.538 1.00 0.00 O ATOM 1317 CB SER A 86 3.060 6.688 -13.503 1.00 0.00 C ATOM 1318 OG SER A 86 4.409 6.601 -13.076 1.00 0.00 O ATOM 0 H SER A 86 2.962 4.323 -14.261 1.00 0.00 H new ATOM 0 HA SER A 86 2.605 5.428 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.008 6.556 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.669 7.682 -13.284 1.00 0.00 H new ATOM 0 HG SER A 86 4.702 5.666 -13.107 1.00 0.00 H new ATOM 1324 N ASP A 87 0.064 6.285 -13.769 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.310 6.772 -13.752 1.00 0.00 C ATOM 1326 C ASP A 87 -2.079 6.188 -12.570 1.00 0.00 C ATOM 1327 O ASP A 87 -2.715 6.918 -11.809 1.00 0.00 O ATOM 1328 CB ASP A 87 -2.016 6.416 -15.061 1.00 0.00 C ATOM 1329 CG ASP A 87 -1.476 5.143 -15.683 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -0.271 5.107 -16.010 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -2.258 4.183 -15.841 1.00 0.00 O ATOM 0 H ASP A 87 0.421 6.062 -14.698 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.284 7.856 -13.646 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.084 6.301 -14.875 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.902 7.239 -15.767 1.00 0.00 H new ATOM 1336 N HIS A 88 -2.017 4.869 -12.424 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.707 4.187 -11.336 1.00 0.00 C ATOM 1338 C HIS A 88 -2.524 4.938 -10.021 1.00 0.00 C ATOM 1339 O HIS A 88 -3.480 5.137 -9.270 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.191 2.754 -11.194 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.214 1.799 -10.661 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.153 0.437 -10.871 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.327 2.015 -9.922 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.186 -0.142 -10.285 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.914 0.793 -9.702 1.00 0.00 N ATOM 0 H HIS A 88 -1.496 4.251 -13.046 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.770 4.160 -11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.849 2.402 -12.167 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.325 2.752 -10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.687 2.971 -9.571 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.399 -1.201 -10.283 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.772 0.634 -9.174 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.292 5.353 -9.748 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.984 6.082 -8.524 1.00 0.00 C ATOM 1355 C ILE A 89 -1.546 7.499 -8.573 1.00 0.00 C ATOM 1356 O ILE A 89 -2.245 7.932 -7.657 1.00 0.00 O ATOM 1357 CB ILE A 89 0.534 6.153 -8.277 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.098 4.753 -8.026 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.837 7.070 -7.102 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.429 3.998 -9.295 1.00 0.00 C ATOM 0 H ILE A 89 -0.490 5.197 -10.359 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.452 5.535 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 89 1.013 6.563 -9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.998 4.837 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.375 4.177 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.914 7.110 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.465 8.072 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.349 6.686 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.824 3.014 -9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.527 3.883 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.175 4.552 -9.864 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.238 8.215 -9.650 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.714 9.583 -9.818 1.00 0.00 C ATOM 1374 C GLU A 90 -3.193 9.693 -9.458 1.00 0.00 C ATOM 1375 O GLU A 90 -3.625 10.676 -8.856 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.492 10.051 -11.258 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.034 10.312 -11.595 1.00 0.00 C ATOM 1378 CD GLU A 90 0.135 11.332 -12.705 1.00 0.00 C ATOM 1379 OE1 GLU A 90 0.086 10.933 -13.888 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.315 12.527 -12.391 1.00 0.00 O ATOM 0 H GLU A 90 -0.662 7.871 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.145 10.223 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.885 9.297 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.064 10.963 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.484 10.663 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.440 9.376 -11.891 1.00 0.00 H new ATOM 1387 N SER A 91 -3.964 8.677 -9.832 1.00 0.00 N ATOM 1388 CA SER A 91 -5.395 8.660 -9.553 1.00 0.00 C ATOM 1389 C SER A 91 -5.656 8.495 -8.059 1.00 0.00 C ATOM 1390 O SER A 91 -6.461 9.218 -7.473 1.00 0.00 O ATOM 1391 CB SER A 91 -6.074 7.530 -10.330 1.00 0.00 C ATOM 1392 OG SER A 91 -7.438 7.827 -10.574 1.00 0.00 O ATOM 0 H SER A 91 -3.622 7.855 -10.329 1.00 0.00 H new ATOM 0 HA SER A 91 -5.814 9.614 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.557 7.374 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.996 6.600 -9.767 1.00 0.00 H new ATOM 0 HG SER A 91 -7.849 7.091 -11.073 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.968 7.536 -7.448 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.122 7.274 -6.022 1.00 0.00 C ATOM 1400 C LYS A 92 -4.788 8.515 -5.201 1.00 0.00 C ATOM 1401 O LYS A 92 -5.404 8.773 -4.168 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.222 6.111 -5.596 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.522 4.812 -6.325 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.777 4.147 -5.785 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.767 2.648 -6.041 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.058 2.012 -5.660 1.00 0.00 N ATOM 0 H LYS A 92 -4.298 6.927 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.163 7.007 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.182 6.384 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.333 5.950 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.644 5.011 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.676 4.132 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.857 4.334 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.656 4.591 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.567 2.461 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.955 2.189 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.254 1.214 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.999 1.666 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.825 2.711 -5.734 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.808 9.283 -5.669 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.411 10.489 -4.966 1.00 0.00 C ATOM 1422 C GLY A 93 -2.200 10.272 -4.080 1.00 0.00 C ATOM 1423 O GLY A 93 -1.804 11.164 -3.330 1.00 0.00 O ATOM 0 H GLY A 93 -3.282 9.091 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.191 11.273 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.244 10.842 -4.358 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.612 9.083 -4.166 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.440 8.752 -3.365 1.00 0.00 C ATOM 1429 C ILE A 94 0.800 9.475 -3.880 1.00 0.00 C ATOM 1430 O ILE A 94 1.037 9.541 -5.087 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.172 7.236 -3.360 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.447 6.472 -2.994 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.950 6.899 -2.389 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.488 5.065 -3.549 1.00 0.00 C ATOM 0 H ILE A 94 -1.928 8.334 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.651 9.079 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 94 0.137 6.934 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.536 6.429 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.311 7.025 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.127 5.824 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.860 7.419 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.668 7.213 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.419 4.583 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.431 5.101 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.644 4.496 -3.160 1.00 0.00 H new ATOM 1446 N LYS A 95 1.590 10.014 -2.958 1.00 0.00 N ATOM 1447 CA LYS A 95 2.809 10.729 -3.318 1.00 0.00 C ATOM 1448 C LYS A 95 3.694 10.944 -2.094 1.00 0.00 C ATOM 1449 O LYS A 95 3.326 10.577 -0.978 1.00 0.00 O ATOM 1450 CB LYS A 95 2.464 12.077 -3.955 1.00 0.00 C ATOM 1451 CG LYS A 95 1.298 12.785 -3.287 1.00 0.00 C ATOM 1452 CD LYS A 95 1.735 13.510 -2.024 1.00 0.00 C ATOM 1453 CE LYS A 95 0.710 14.549 -1.595 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.695 15.723 -2.511 1.00 0.00 N ATOM 0 H LYS A 95 1.408 9.969 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 95 3.357 10.123 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.341 12.723 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.229 11.922 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.857 13.499 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.523 12.059 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.881 12.788 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.696 13.995 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.280 14.094 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.932 14.882 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.213 16.519 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.672 15.996 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.190 15.475 -3.385 1.00 0.00 H new ATOM 1468 N ILE A 96 4.860 11.542 -2.312 1.00 0.00 N ATOM 1469 CA ILE A 96 5.796 11.808 -1.226 1.00 0.00 C ATOM 1470 C ILE A 96 5.111 12.542 -0.078 1.00 0.00 C ATOM 1471 O ILE A 96 4.251 13.395 -0.296 1.00 0.00 O ATOM 1472 CB ILE A 96 6.997 12.642 -1.709 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.696 11.940 -2.875 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.972 12.880 -0.566 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.401 10.663 -2.477 1.00 0.00 C ATOM 0 H ILE A 96 5.179 11.851 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 96 6.154 10.841 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 96 6.633 13.609 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.960 11.714 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.421 12.623 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.815 13.471 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.467 13.417 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.333 11.923 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.874 10.220 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.161 10.885 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.677 9.962 -2.062 1.00 0.00 H new ATOM 1487 N LYS A 97 5.500 12.206 1.147 1.00 0.00 N ATOM 1488 CA LYS A 97 4.927 12.834 2.332 1.00 0.00 C ATOM 1489 C LYS A 97 3.458 12.456 2.492 1.00 0.00 C ATOM 1490 O LYS A 97 2.624 13.297 2.824 1.00 0.00 O ATOM 1491 CB LYS A 97 5.066 14.356 2.245 1.00 0.00 C ATOM 1492 CG LYS A 97 6.485 14.822 1.971 1.00 0.00 C ATOM 1493 CD LYS A 97 7.342 14.768 3.225 1.00 0.00 C ATOM 1494 CE LYS A 97 8.822 14.881 2.894 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.620 15.330 4.068 1.00 0.00 N ATOM 0 H LYS A 97 6.210 11.502 1.346 1.00 0.00 H new ATOM 0 HA LYS A 97 5.474 12.474 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.412 14.728 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.721 14.798 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.931 14.197 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.466 15.841 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.056 15.577 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.157 13.833 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.192 13.915 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.958 15.584 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.623 15.395 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.284 16.263 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.511 14.646 4.844 1.00 0.00 H new ATOM 1509 N GLU A 98 3.150 11.184 2.254 1.00 0.00 N ATOM 1510 CA GLU A 98 1.781 10.696 2.373 1.00 0.00 C ATOM 1511 C GLU A 98 1.716 9.478 3.291 1.00 0.00 C ATOM 1512 O GLU A 98 2.115 8.377 2.911 1.00 0.00 O ATOM 1513 CB GLU A 98 1.221 10.340 0.994 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.297 10.328 0.938 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.903 11.681 1.258 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.235 12.705 1.006 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.046 11.715 1.759 1.00 0.00 O ATOM 0 H GLU A 98 3.829 10.475 1.978 1.00 0.00 H new ATOM 0 HA GLU A 98 1.175 11.491 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.597 11.055 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.595 9.359 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.618 10.016 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.677 9.588 1.642 1.00 0.00 H new ATOM 1524 N THR A 99 1.210 9.684 4.503 1.00 0.00 N ATOM 1525 CA THR A 99 1.093 8.606 5.476 1.00 0.00 C ATOM 1526 C THR A 99 -0.011 7.630 5.085 1.00 0.00 C ATOM 1527 O THR A 99 -1.105 8.039 4.698 1.00 0.00 O ATOM 1528 CB THR A 99 0.805 9.151 6.887 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.775 10.145 7.236 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.828 8.030 7.916 1.00 0.00 C ATOM 0 H THR A 99 0.875 10.589 4.834 1.00 0.00 H new ATOM 0 HA THR A 99 2.050 8.084 5.485 1.00 0.00 H new ATOM 0 HB THR A 99 -0.189 9.599 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.584 10.488 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.622 8.440 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.069 7.290 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.810 7.557 7.917 1.00 0.00 H new ATOM 1538 N MET A 100 0.283 6.338 5.191 1.00 0.00 N ATOM 1539 CA MET A 100 -0.687 5.304 4.850 1.00 0.00 C ATOM 1540 C MET A 100 -1.053 4.475 6.078 1.00 0.00 C ATOM 1541 O MET A 100 -0.444 4.618 7.139 1.00 0.00 O ATOM 1542 CB MET A 100 -0.130 4.394 3.754 1.00 0.00 C ATOM 1543 CG MET A 100 0.456 5.152 2.574 1.00 0.00 C ATOM 1544 SD MET A 100 0.322 4.239 1.026 1.00 0.00 S ATOM 1545 CE MET A 100 -1.184 4.936 0.351 1.00 0.00 C ATOM 0 H MET A 100 1.184 5.983 5.510 1.00 0.00 H new ATOM 0 HA MET A 100 -1.589 5.794 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.641 3.753 4.182 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.926 3.741 3.396 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.055 6.109 2.472 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.505 5.371 2.773 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.344 4.550 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.028 4.661 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.097 6.022 0.313 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.050 3.611 5.927 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.498 2.762 7.025 1.00 0.00 C ATOM 1557 C TYR A 101 -2.949 1.398 6.510 1.00 0.00 C ATOM 1558 O TYR A 101 -3.117 1.201 5.306 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.641 3.436 7.785 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.319 4.841 8.242 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.143 5.868 7.323 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.190 5.141 9.593 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -2.847 7.153 7.736 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.897 6.423 10.014 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.726 7.426 9.083 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.432 8.704 9.499 1.00 0.00 O ATOM 0 H TYR A 101 -2.563 3.480 5.055 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.657 2.614 7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.524 3.464 7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.895 2.830 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.239 5.658 6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.321 4.358 10.326 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.711 7.939 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.802 6.639 11.068 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.383 8.726 10.478 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.143 0.460 7.431 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.574 -0.886 7.072 1.00 0.00 C ATOM 1578 C PHE A 102 -4.705 -1.355 7.982 1.00 0.00 C ATOM 1579 O PHE A 102 -5.032 -0.701 8.972 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.398 -1.861 7.157 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.623 -1.755 8.439 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.250 -1.942 9.660 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.268 -1.468 8.423 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.539 -1.845 10.842 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.448 -1.370 9.601 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.188 -1.559 10.812 1.00 0.00 C ATOM 0 H PHE A 102 -3.009 0.607 8.431 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.943 -0.861 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.772 -2.879 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.725 -1.680 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.306 -2.166 9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.235 -1.319 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.039 -1.993 11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.504 -1.146 9.574 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.370 -1.483 11.734 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.300 -2.493 7.638 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.393 -3.051 8.423 1.00 0.00 C ATOM 1598 C ALA A 103 -6.032 -4.431 8.963 1.00 0.00 C ATOM 1599 O ALA A 103 -6.701 -4.953 9.857 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.661 -3.126 7.585 1.00 0.00 C ATOM 0 H ALA A 103 -5.043 -3.046 6.820 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.571 -2.391 9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.469 -3.545 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.937 -2.125 7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.486 -3.762 6.717 1.00 0.00 H new