USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 111 ASN : amide:sc= -0.142 K(o=-0.2,f=-0.74) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 165:sc= -0.0551 (180deg=-0.415) USER MOD Set 2.1: A 85 HIS : no HD1:sc= 0 X(o=-1.9,f=-2.1) USER MOD Set 2.2: A 87 THR OG1 : rot -103:sc= -0.0652 USER MOD Set 2.3: A 109 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-4.7) USER MOD Set 3.1: A 34 TYR OH : rot 150:sc= 0.356 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -146:sc= 0.378 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.53! C(o=-3.5!,f=-2.4!) USER MOD Single : A 12 LYS NZ :NH3+ 133:sc= -0.0501 (180deg=-0.556) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 22 THR OG1 : rot 58:sc= 0.0638 USER MOD Single : A 25 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0488 (180deg=-0.32) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 35 MET CE :methyl 145:sc= -2.69 (180deg=-4.2) USER MOD Single : A 37 THR OG1 : rot 120:sc= 0.131 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 55:sc= -2.3! USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.091 (180deg=-0.413) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0647 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0326 (180deg=-0.214) USER MOD Single : A 86 HIS : no HE2:sc= -8.14! C(o=-8.1!,f=-14!) USER MOD Single : A 92 TYR OH : rot 33:sc= 0.094 USER MOD Single : A 93 THR OG1 : rot 42:sc= -2.8! USER MOD Single : A 103 ASN : amide:sc= -9.75! C(o=-9.7!,f=-4.9!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.162 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.120 -8.199 12.701 1.00 0.00 N ATOM 180 CA ASN A 10 0.073 -7.222 11.644 1.00 0.00 C ATOM 181 C ASN A 10 1.481 -6.643 11.653 1.00 0.00 C ATOM 182 O ASN A 10 1.909 -6.014 10.685 1.00 0.00 O ATOM 183 CB ASN A 10 -0.941 -6.098 11.793 1.00 0.00 C ATOM 184 CG ASN A 10 -1.313 -5.811 13.235 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.144 -6.500 13.825 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.707 -4.772 13.804 1.00 0.00 N ATOM 0 HA ASN A 10 -0.070 -7.733 10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.537 -5.192 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.843 -6.356 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.926 -4.519 14.768 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.024 -4.228 13.277 1.00 0.00 H new ATOM 193 N ASP A 11 2.194 -6.857 12.744 1.00 0.00 N ATOM 194 CA ASP A 11 3.540 -6.344 12.884 1.00 0.00 C ATOM 195 C ASP A 11 4.573 -7.314 12.320 1.00 0.00 C ATOM 196 O ASP A 11 4.939 -8.299 12.962 1.00 0.00 O ATOM 197 CB ASP A 11 3.825 -6.051 14.352 1.00 0.00 C ATOM 198 CG ASP A 11 3.504 -7.225 15.254 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.322 -7.382 15.626 1.00 0.00 O ATOM 200 OD2 ASP A 11 4.434 -7.987 15.592 1.00 0.00 O ATOM 0 H ASP A 11 1.859 -7.386 13.549 1.00 0.00 H new ATOM 0 HA ASP A 11 3.616 -5.421 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.876 -5.785 14.468 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.241 -5.186 14.666 1.00 0.00 H new ATOM 205 N LYS A 12 5.029 -7.020 11.110 1.00 0.00 N ATOM 206 CA LYS A 12 6.036 -7.840 10.439 1.00 0.00 C ATOM 207 C LYS A 12 7.350 -7.079 10.376 1.00 0.00 C ATOM 208 O LYS A 12 7.869 -6.783 9.301 1.00 0.00 O ATOM 209 CB LYS A 12 5.573 -8.219 9.032 1.00 0.00 C ATOM 210 CG LYS A 12 5.015 -9.628 8.944 1.00 0.00 C ATOM 211 CD LYS A 12 5.937 -10.548 8.158 1.00 0.00 C ATOM 212 CE LYS A 12 7.274 -10.736 8.858 1.00 0.00 C ATOM 213 NZ LYS A 12 7.115 -11.330 10.214 1.00 0.00 N ATOM 0 H LYS A 12 4.717 -6.215 10.568 1.00 0.00 H new ATOM 0 HA LYS A 12 6.180 -8.759 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.810 -7.512 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.412 -8.124 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.872 -10.027 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.034 -9.602 8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.457 -11.517 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.102 -10.134 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.913 -11.380 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.778 -9.773 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.796 -12.107 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.290 -10.601 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.148 -11.697 10.321 1.00 0.00 H new ATOM 227 N TRP A 13 7.879 -6.771 11.548 1.00 0.00 N ATOM 228 CA TRP A 13 9.106 -6.011 11.669 1.00 0.00 C ATOM 229 C TRP A 13 10.328 -6.883 11.419 1.00 0.00 C ATOM 230 O TRP A 13 10.642 -7.779 12.203 1.00 0.00 O ATOM 231 CB TRP A 13 9.142 -5.359 13.055 1.00 0.00 C ATOM 232 CG TRP A 13 7.836 -4.694 13.426 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.732 -4.557 12.628 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.493 -4.082 14.679 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.735 -3.901 13.300 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.172 -3.599 14.560 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.168 -3.894 15.888 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.516 -2.945 15.598 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.516 -3.243 16.921 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.202 -2.776 16.770 1.00 0.00 C ATOM 0 H TRP A 13 7.468 -7.042 12.441 1.00 0.00 H new ATOM 0 HA TRP A 13 9.130 -5.232 10.907 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.383 -6.116 13.801 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.942 -4.619 13.082 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.658 -4.916 11.612 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.815 -3.674 12.922 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.180 -4.250 16.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.504 -2.585 15.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.028 -3.092 17.860 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.722 -2.273 17.596 1.00 0.00 H new ATOM 251 N VAL A 14 11.018 -6.601 10.312 1.00 0.00 N ATOM 252 CA VAL A 14 12.202 -7.368 9.923 1.00 0.00 C ATOM 253 C VAL A 14 13.183 -6.504 9.144 1.00 0.00 C ATOM 254 O VAL A 14 13.068 -5.282 9.131 1.00 0.00 O ATOM 255 CB VAL A 14 11.820 -8.589 9.057 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.942 -9.556 9.837 1.00 0.00 C ATOM 257 CG2 VAL A 14 11.125 -8.140 7.780 1.00 0.00 C ATOM 0 H VAL A 14 10.777 -5.847 9.669 1.00 0.00 H new ATOM 0 HA VAL A 14 12.672 -7.712 10.844 1.00 0.00 H new ATOM 0 HB VAL A 14 12.736 -9.113 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.687 -10.407 9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.480 -9.907 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.029 -9.048 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.863 -9.013 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.220 -7.589 8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.794 -7.496 7.209 1.00 0.00 H new ATOM 267 N ASP A 15 14.153 -7.153 8.507 1.00 0.00 N ATOM 268 CA ASP A 15 15.160 -6.455 7.716 1.00 0.00 C ATOM 269 C ASP A 15 14.762 -6.442 6.243 1.00 0.00 C ATOM 270 O ASP A 15 13.621 -6.760 5.904 1.00 0.00 O ATOM 271 CB ASP A 15 16.516 -7.136 7.885 1.00 0.00 C ATOM 272 CG ASP A 15 17.662 -6.147 7.955 1.00 0.00 C ATOM 273 OD1 ASP A 15 18.205 -5.790 6.888 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.020 -5.732 9.077 1.00 0.00 O ATOM 0 H ASP A 15 14.263 -8.167 8.524 1.00 0.00 H new ATOM 0 HA ASP A 15 15.231 -5.425 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.505 -7.738 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.681 -7.819 7.052 1.00 0.00 H new ATOM 279 N THR A 16 15.706 -6.086 5.369 1.00 0.00 N ATOM 280 CA THR A 16 15.431 -6.034 3.933 1.00 0.00 C ATOM 281 C THR A 16 16.641 -5.551 3.134 1.00 0.00 C ATOM 282 O THR A 16 17.727 -5.353 3.680 1.00 0.00 O ATOM 283 CB THR A 16 14.239 -5.103 3.625 1.00 0.00 C ATOM 284 OG1 THR A 16 13.675 -5.430 2.349 1.00 0.00 O ATOM 285 CG2 THR A 16 14.665 -3.643 3.631 1.00 0.00 C ATOM 0 H THR A 16 16.659 -5.832 5.628 1.00 0.00 H new ATOM 0 HA THR A 16 15.191 -7.054 3.634 1.00 0.00 H new ATOM 0 HB THR A 16 13.491 -5.249 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.919 -4.835 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.804 -3.012 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.063 -3.384 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.433 -3.485 2.874 1.00 0.00 H new ATOM 293 N HIS A 17 16.431 -5.369 1.832 1.00 0.00 N ATOM 294 CA HIS A 17 17.475 -4.895 0.929 1.00 0.00 C ATOM 295 C HIS A 17 17.055 -3.566 0.307 1.00 0.00 C ATOM 296 O HIS A 17 16.171 -2.891 0.827 1.00 0.00 O ATOM 297 CB HIS A 17 17.737 -5.931 -0.165 1.00 0.00 C ATOM 298 CG HIS A 17 18.416 -7.169 0.332 1.00 0.00 C ATOM 299 ND1 HIS A 17 19.768 -7.395 0.190 1.00 0.00 N ATOM 300 CD2 HIS A 17 17.920 -8.255 0.974 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.075 -8.566 0.720 1.00 0.00 C ATOM 302 NE2 HIS A 17 18.972 -9.106 1.203 1.00 0.00 N ATOM 0 H HIS A 17 15.536 -5.545 1.376 1.00 0.00 H new ATOM 0 HA HIS A 17 18.395 -4.747 1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.789 -6.207 -0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.351 -5.478 -0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.890 -8.420 1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.061 -9.006 0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.911 -10.010 1.671 1.00 0.00 H new ATOM 311 N VAL A 18 17.682 -3.190 -0.804 1.00 0.00 N ATOM 312 CA VAL A 18 17.343 -1.937 -1.471 1.00 0.00 C ATOM 313 C VAL A 18 16.342 -2.162 -2.599 1.00 0.00 C ATOM 314 O VAL A 18 16.597 -2.924 -3.532 1.00 0.00 O ATOM 315 CB VAL A 18 18.587 -1.230 -2.039 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.205 0.117 -2.640 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.644 -1.058 -0.959 1.00 0.00 C ATOM 0 H VAL A 18 18.420 -3.729 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 18 16.895 -1.298 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 18 19.007 -1.851 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.096 0.604 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.485 -0.034 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.761 0.746 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.516 -0.556 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.238 -0.458 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.937 -2.036 -0.578 1.00 0.00 H new ATOM 327 N GLY A 19 15.202 -1.488 -2.499 1.00 0.00 N ATOM 328 CA GLY A 19 14.165 -1.608 -3.506 1.00 0.00 C ATOM 329 C GLY A 19 13.575 -2.998 -3.586 1.00 0.00 C ATOM 330 O GLY A 19 12.940 -3.344 -4.582 1.00 0.00 O ATOM 0 H GLY A 19 14.977 -0.855 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.370 -0.894 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.578 -1.338 -4.478 1.00 0.00 H new ATOM 334 N LYS A 20 13.794 -3.806 -2.553 1.00 0.00 N ATOM 335 CA LYS A 20 13.249 -5.154 -2.528 1.00 0.00 C ATOM 336 C LYS A 20 11.733 -5.099 -2.658 1.00 0.00 C ATOM 337 O LYS A 20 11.017 -4.985 -1.663 1.00 0.00 O ATOM 338 CB LYS A 20 13.645 -5.873 -1.238 1.00 0.00 C ATOM 339 CG LYS A 20 14.004 -7.330 -1.444 1.00 0.00 C ATOM 340 CD LYS A 20 15.194 -7.453 -2.364 1.00 0.00 C ATOM 341 CE LYS A 20 15.227 -8.798 -3.069 1.00 0.00 C ATOM 342 NZ LYS A 20 16.430 -8.943 -3.935 1.00 0.00 N ATOM 0 H LYS A 20 14.340 -3.551 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 20 13.660 -5.713 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.495 -5.358 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.821 -5.807 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.229 -7.795 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.153 -7.865 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.164 -6.655 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.112 -7.321 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.215 -9.597 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.328 -8.912 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.414 -9.874 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.429 -8.196 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.288 -8.860 -3.354 1.00 0.00 H new ATOM 356 N THR A 21 11.256 -5.171 -3.894 1.00 0.00 N ATOM 357 CA THR A 21 9.827 -5.103 -4.168 1.00 0.00 C ATOM 358 C THR A 21 9.063 -6.183 -3.415 1.00 0.00 C ATOM 359 O THR A 21 9.053 -7.348 -3.816 1.00 0.00 O ATOM 360 CB THR A 21 9.531 -5.232 -5.672 1.00 0.00 C ATOM 361 OG1 THR A 21 10.432 -4.409 -6.423 1.00 0.00 O ATOM 362 CG2 THR A 21 8.098 -4.821 -5.971 1.00 0.00 C ATOM 0 H THR A 21 11.839 -5.277 -4.724 1.00 0.00 H new ATOM 0 HA THR A 21 9.493 -4.124 -3.824 1.00 0.00 H new ATOM 0 HB THR A 21 9.667 -6.274 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.237 -4.499 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.907 -4.919 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.412 -5.464 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.946 -3.785 -5.669 1.00 0.00 H new ATOM 370 N THR A 22 8.427 -5.786 -2.321 1.00 0.00 N ATOM 371 CA THR A 22 7.651 -6.710 -1.508 1.00 0.00 C ATOM 372 C THR A 22 6.165 -6.569 -1.805 1.00 0.00 C ATOM 373 O THR A 22 5.502 -5.654 -1.313 1.00 0.00 O ATOM 374 CB THR A 22 7.908 -6.487 -0.002 1.00 0.00 C ATOM 375 OG1 THR A 22 9.258 -6.841 0.319 1.00 0.00 O ATOM 376 CG2 THR A 22 6.950 -7.304 0.855 1.00 0.00 C ATOM 0 H THR A 22 8.434 -4.826 -1.976 1.00 0.00 H new ATOM 0 HA THR A 22 7.971 -7.720 -1.764 1.00 0.00 H new ATOM 0 HB THR A 22 7.741 -5.432 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.874 -6.312 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.160 -7.122 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.924 -7.011 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.080 -8.364 0.637 1.00 0.00 H new ATOM 384 N GLU A 23 5.662 -7.476 -2.635 1.00 0.00 N ATOM 385 CA GLU A 23 4.266 -7.488 -3.017 1.00 0.00 C ATOM 386 C GLU A 23 3.412 -8.097 -1.919 1.00 0.00 C ATOM 387 O GLU A 23 3.779 -9.112 -1.326 1.00 0.00 O ATOM 388 CB GLU A 23 4.101 -8.284 -4.304 1.00 0.00 C ATOM 389 CG GLU A 23 2.707 -8.197 -4.887 1.00 0.00 C ATOM 390 CD GLU A 23 2.617 -8.794 -6.278 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.688 -10.035 -6.396 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.476 -8.020 -7.248 1.00 0.00 O ATOM 0 H GLU A 23 6.215 -8.221 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 23 3.937 -6.461 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.819 -7.923 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.342 -9.329 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.009 -8.714 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.397 -7.153 -4.923 1.00 0.00 H new ATOM 399 N ILE A 24 2.273 -7.475 -1.650 1.00 0.00 N ATOM 400 CA ILE A 24 1.380 -7.961 -0.614 1.00 0.00 C ATOM 401 C ILE A 24 -0.082 -7.887 -1.028 1.00 0.00 C ATOM 402 O ILE A 24 -0.687 -6.814 -1.023 1.00 0.00 O ATOM 403 CB ILE A 24 1.554 -7.159 0.681 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.031 -7.105 1.076 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.715 -7.768 1.796 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.296 -6.332 2.349 1.00 0.00 C ATOM 0 H ILE A 24 1.949 -6.637 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 24 1.648 -9.005 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 24 1.208 -6.139 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.402 -8.123 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.598 -6.653 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.848 -7.189 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.336 -7.756 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.032 -8.796 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.365 -6.339 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.957 -5.303 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.758 -6.796 3.175 1.00 0.00 H new ATOM 418 N HIS A 25 -0.638 -9.032 -1.399 1.00 0.00 N ATOM 419 CA HIS A 25 -2.039 -9.114 -1.771 1.00 0.00 C ATOM 420 C HIS A 25 -2.872 -9.255 -0.506 1.00 0.00 C ATOM 421 O HIS A 25 -2.802 -10.272 0.185 1.00 0.00 O ATOM 422 CB HIS A 25 -2.287 -10.303 -2.694 1.00 0.00 C ATOM 423 CG HIS A 25 -1.239 -10.477 -3.749 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.480 -11.621 -3.874 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.830 -9.646 -4.737 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.350 -11.487 -4.892 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.157 -10.298 -5.433 1.00 0.00 N ATOM 0 H HIS A 25 -0.136 -9.919 -1.450 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.322 -8.208 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.340 -11.212 -2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.257 -10.181 -3.175 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.549 -12.443 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.210 -8.655 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.065 -12.224 -5.226 1.00 0.00 H new ATOM 436 N LEU A 26 -3.656 -8.235 -0.210 1.00 0.00 N ATOM 437 CA LEU A 26 -4.476 -8.231 0.993 1.00 0.00 C ATOM 438 C LEU A 26 -5.947 -8.394 0.654 1.00 0.00 C ATOM 439 O LEU A 26 -6.384 -8.047 -0.439 1.00 0.00 O ATOM 440 CB LEU A 26 -4.271 -6.926 1.762 1.00 0.00 C ATOM 441 CG LEU A 26 -2.826 -6.622 2.166 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.695 -5.175 2.619 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.364 -7.566 3.267 1.00 0.00 C ATOM 0 H LEU A 26 -3.744 -7.397 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.168 -9.074 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.641 -6.102 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.884 -6.955 2.663 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.188 -6.774 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.662 -4.975 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.983 -4.511 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.347 -5.001 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.335 -7.332 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.005 -7.448 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.421 -8.595 2.912 1.00 0.00 H new ATOM 455 N LYS A 27 -6.705 -8.921 1.601 1.00 0.00 N ATOM 456 CA LYS A 27 -8.131 -9.116 1.406 1.00 0.00 C ATOM 457 C LYS A 27 -8.912 -8.163 2.296 1.00 0.00 C ATOM 458 O LYS A 27 -8.412 -7.710 3.325 1.00 0.00 O ATOM 459 CB LYS A 27 -8.523 -10.561 1.705 1.00 0.00 C ATOM 460 CG LYS A 27 -7.488 -11.575 1.243 1.00 0.00 C ATOM 461 CD LYS A 27 -7.975 -13.001 1.441 1.00 0.00 C ATOM 462 CE LYS A 27 -6.946 -14.013 0.966 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.622 -13.841 -0.478 1.00 0.00 N ATOM 0 H LYS A 27 -6.357 -9.221 2.512 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.371 -8.905 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.677 -10.673 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.475 -10.779 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.261 -11.410 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.560 -11.427 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.192 -13.169 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.908 -13.147 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.036 -13.910 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.324 -15.021 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.110 -14.679 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.502 -13.727 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.028 -12.997 -0.602 1.00 0.00 H new ATOM 477 N GLY A 28 -10.137 -7.863 1.897 1.00 0.00 N ATOM 478 CA GLY A 28 -10.959 -6.950 2.666 1.00 0.00 C ATOM 479 C GLY A 28 -12.288 -6.666 2.000 1.00 0.00 C ATOM 480 O GLY A 28 -13.231 -6.212 2.650 1.00 0.00 O ATOM 0 H GLY A 28 -10.578 -8.234 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.135 -7.371 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.420 -6.013 2.809 1.00 0.00 H new ATOM 484 N ASN A 29 -12.360 -6.931 0.699 1.00 0.00 N ATOM 485 CA ASN A 29 -13.581 -6.703 -0.070 1.00 0.00 C ATOM 486 C ASN A 29 -13.948 -5.219 -0.069 1.00 0.00 C ATOM 487 O ASN A 29 -14.650 -4.750 0.825 1.00 0.00 O ATOM 488 CB ASN A 29 -14.736 -7.531 0.500 1.00 0.00 C ATOM 489 CG ASN A 29 -15.983 -7.454 -0.358 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.902 -7.310 -1.579 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.145 -7.547 0.277 1.00 0.00 N ATOM 0 H ASN A 29 -11.584 -7.305 0.153 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.400 -7.016 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.424 -8.571 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.968 -7.181 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.018 -7.500 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.165 -7.666 1.290 1.00 0.00 H new ATOM 547 N TYR A 34 -14.210 -0.190 4.771 1.00 0.00 N ATOM 548 CA TYR A 34 -12.819 0.115 5.093 1.00 0.00 C ATOM 549 C TYR A 34 -11.900 -0.149 3.904 1.00 0.00 C ATOM 550 O TYR A 34 -12.249 -0.885 2.980 1.00 0.00 O ATOM 551 CB TYR A 34 -12.357 -0.699 6.305 1.00 0.00 C ATOM 552 CG TYR A 34 -13.040 -0.311 7.599 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.325 -0.757 7.885 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.402 0.497 8.534 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.955 -0.407 9.064 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.027 0.849 9.716 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.303 0.395 9.975 1.00 0.00 C ATOM 558 OH TYR A 34 -14.927 0.744 11.151 1.00 0.00 O ATOM 0 HA TYR A 34 -12.762 1.176 5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.540 -1.756 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.280 -0.578 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.839 -1.387 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.403 0.855 8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.954 -0.761 9.271 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.518 1.476 10.433 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.255 0.871 11.853 1.00 0.00 H new ATOM 568 N MET A 35 -10.720 0.461 3.944 1.00 0.00 N ATOM 569 CA MET A 35 -9.731 0.323 2.897 1.00 0.00 C ATOM 570 C MET A 35 -8.418 -0.177 3.469 1.00 0.00 C ATOM 571 O MET A 35 -8.088 0.098 4.618 1.00 0.00 O ATOM 572 CB MET A 35 -9.489 1.676 2.229 1.00 0.00 C ATOM 573 CG MET A 35 -8.114 1.799 1.603 1.00 0.00 C ATOM 574 SD MET A 35 -7.806 3.429 0.893 1.00 0.00 S ATOM 575 CE MET A 35 -8.997 3.451 -0.445 1.00 0.00 C ATOM 0 H MET A 35 -10.428 1.067 4.711 1.00 0.00 H new ATOM 0 HA MET A 35 -10.106 -0.394 2.166 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.246 1.834 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.616 2.466 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.357 1.589 2.358 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.006 1.043 0.825 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.386 4.462 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.513 3.132 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.818 2.773 -0.212 1.00 0.00 H new ATOM 585 N TRP A 36 -7.667 -0.889 2.653 1.00 0.00 N ATOM 586 CA TRP A 36 -6.374 -1.399 3.068 1.00 0.00 C ATOM 587 C TRP A 36 -5.267 -0.645 2.345 1.00 0.00 C ATOM 588 O TRP A 36 -4.768 -1.091 1.312 1.00 0.00 O ATOM 589 CB TRP A 36 -6.263 -2.888 2.779 1.00 0.00 C ATOM 590 CG TRP A 36 -6.412 -3.749 3.994 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.326 -4.746 4.189 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.625 -3.685 5.185 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.156 -5.301 5.436 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.116 -4.667 6.063 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.551 -2.891 5.592 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.572 -4.874 7.325 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.012 -3.099 6.844 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.523 -4.083 7.698 1.00 0.00 C ATOM 0 H TRP A 36 -7.930 -1.128 1.697 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.271 -1.250 4.143 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.026 -3.166 2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.296 -3.089 2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.072 -5.053 3.470 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.713 -6.060 5.829 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.151 -2.129 4.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.964 -5.632 7.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.181 -2.492 7.171 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.078 -4.220 8.673 1.00 0.00 H new ATOM 609 N THR A 37 -4.896 0.505 2.891 1.00 0.00 N ATOM 610 CA THR A 37 -3.860 1.334 2.288 1.00 0.00 C ATOM 611 C THR A 37 -2.846 1.778 3.345 1.00 0.00 C ATOM 612 O THR A 37 -2.800 1.210 4.435 1.00 0.00 O ATOM 613 CB THR A 37 -4.475 2.569 1.604 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.509 3.190 0.748 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.957 3.570 2.638 1.00 0.00 C ATOM 0 H THR A 37 -5.296 0.885 3.749 1.00 0.00 H new ATOM 0 HA THR A 37 -3.348 0.736 1.534 1.00 0.00 H new ATOM 0 HB THR A 37 -5.327 2.241 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.842 3.193 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.388 4.435 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.713 3.105 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.117 3.890 3.254 1.00 0.00 H new ATOM 623 N ARG A 38 -2.037 2.790 3.030 1.00 0.00 N ATOM 624 CA ARG A 38 -1.043 3.284 3.975 1.00 0.00 C ATOM 625 C ARG A 38 -1.613 4.436 4.795 1.00 0.00 C ATOM 626 O ARG A 38 -2.037 5.452 4.243 1.00 0.00 O ATOM 627 CB ARG A 38 0.222 3.741 3.244 1.00 0.00 C ATOM 628 CG ARG A 38 1.275 2.671 3.088 1.00 0.00 C ATOM 629 CD ARG A 38 2.390 3.133 2.165 1.00 0.00 C ATOM 630 NE ARG A 38 2.860 4.482 2.462 1.00 0.00 N ATOM 631 CZ ARG A 38 4.044 4.739 3.014 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.833 3.742 3.393 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.442 5.992 3.190 1.00 0.00 N ATOM 0 H ARG A 38 -2.052 3.278 2.135 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.781 2.467 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.057 4.106 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.655 4.583 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.688 2.418 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.820 1.764 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.227 2.439 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.038 3.097 1.134 1.00 0.00 H new ATOM 0 HE ARG A 38 2.251 5.268 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.533 2.776 3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.740 3.941 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.840 6.764 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.350 6.184 3.613 1.00 0.00 H new ATOM 647 N VAL A 39 -1.622 4.269 6.114 1.00 0.00 N ATOM 648 CA VAL A 39 -2.139 5.295 7.013 1.00 0.00 C ATOM 649 C VAL A 39 -1.497 6.647 6.724 1.00 0.00 C ATOM 650 O VAL A 39 -0.298 6.731 6.455 1.00 0.00 O ATOM 651 CB VAL A 39 -1.904 4.916 8.488 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.473 4.450 8.690 1.00 0.00 C ATOM 653 CG2 VAL A 39 -2.237 6.078 9.413 1.00 0.00 C ATOM 0 H VAL A 39 -1.277 3.432 6.584 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.212 5.367 6.838 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.573 4.093 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.321 4.185 9.736 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.282 3.578 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.213 5.251 8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.062 5.782 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.604 6.931 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.284 6.355 9.287 1.00 0.00 H new ATOM 663 N GLY A 40 -2.302 7.705 6.782 1.00 0.00 N ATOM 664 CA GLY A 40 -1.798 9.037 6.510 1.00 0.00 C ATOM 665 C GLY A 40 -1.838 9.360 5.031 1.00 0.00 C ATOM 666 O GLY A 40 -1.566 10.488 4.621 1.00 0.00 O ATOM 0 H GLY A 40 -3.295 7.662 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.390 9.769 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.774 9.120 6.873 1.00 0.00 H new ATOM 670 N PHE A 41 -2.181 8.354 4.232 1.00 0.00 N ATOM 671 CA PHE A 41 -2.266 8.507 2.785 1.00 0.00 C ATOM 672 C PHE A 41 -3.609 8.006 2.283 1.00 0.00 C ATOM 673 O PHE A 41 -3.887 8.015 1.084 1.00 0.00 O ATOM 674 CB PHE A 41 -1.134 7.734 2.115 1.00 0.00 C ATOM 675 CG PHE A 41 0.211 8.059 2.691 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.863 9.231 2.347 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.812 7.198 3.589 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.096 9.537 2.889 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.043 7.498 4.138 1.00 0.00 C ATOM 680 CZ PHE A 41 2.688 8.669 3.787 1.00 0.00 C ATOM 0 H PHE A 41 -2.406 7.417 4.567 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.172 9.564 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.320 6.665 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.130 7.956 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.403 9.913 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.314 6.280 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.597 10.453 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.501 6.818 4.841 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.652 8.905 4.213 1.00 0.00 H new ATOM 690 N VAL A 42 -4.434 7.562 3.222 1.00 0.00 N ATOM 691 CA VAL A 42 -5.760 7.052 2.907 1.00 0.00 C ATOM 692 C VAL A 42 -6.576 8.085 2.139 1.00 0.00 C ATOM 693 O VAL A 42 -6.829 9.184 2.634 1.00 0.00 O ATOM 694 CB VAL A 42 -6.515 6.653 4.188 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.785 5.890 3.844 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.609 5.836 5.096 1.00 0.00 C ATOM 0 H VAL A 42 -4.205 7.545 4.216 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.628 6.169 2.282 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.806 7.557 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.305 5.616 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.433 6.519 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.528 4.987 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.153 5.559 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.289 4.934 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.735 6.428 5.366 1.00 0.00 H new ATOM 706 N GLY A 43 -6.984 7.724 0.926 1.00 0.00 N ATOM 707 CA GLY A 43 -7.758 8.633 0.102 1.00 0.00 C ATOM 708 C GLY A 43 -6.889 9.372 -0.894 1.00 0.00 C ATOM 709 O GLY A 43 -7.362 9.802 -1.946 1.00 0.00 O ATOM 0 H GLY A 43 -6.792 6.818 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.527 8.074 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.272 9.353 0.739 1.00 0.00 H new ATOM 763 N LEU A 47 0.859 6.709 -1.807 1.00 0.00 N ATOM 764 CA LEU A 47 1.160 6.510 -0.398 1.00 0.00 C ATOM 765 C LEU A 47 2.635 6.786 -0.143 1.00 0.00 C ATOM 766 O LEU A 47 2.995 7.572 0.734 1.00 0.00 O ATOM 767 CB LEU A 47 0.814 5.082 0.015 1.00 0.00 C ATOM 768 CG LEU A 47 -0.418 4.483 -0.671 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.594 3.024 -0.271 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.668 5.283 -0.334 1.00 0.00 C ATOM 0 HA LEU A 47 0.561 7.201 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.672 4.443 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.655 5.061 1.093 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.264 4.531 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.474 2.614 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.288 2.456 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.722 2.956 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.530 4.839 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.827 5.272 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.544 6.312 -0.672 1.00 0.00 H new ATOM 782 N SER A 48 3.478 6.116 -0.919 1.00 0.00 N ATOM 783 CA SER A 48 4.924 6.273 -0.833 1.00 0.00 C ATOM 784 C SER A 48 5.342 7.739 -0.938 1.00 0.00 C ATOM 785 O SER A 48 4.500 8.629 -1.062 1.00 0.00 O ATOM 786 CB SER A 48 5.578 5.480 -1.958 1.00 0.00 C ATOM 787 OG SER A 48 5.361 6.100 -3.213 1.00 0.00 O ATOM 0 H SER A 48 3.177 5.447 -1.627 1.00 0.00 H new ATOM 0 HA SER A 48 5.249 5.901 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.649 5.394 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.175 4.467 -1.975 1.00 0.00 H new ATOM 0 HG SER A 48 5.792 5.572 -3.917 1.00 0.00 H new ATOM 793 N ASP A 49 6.653 7.981 -0.907 1.00 0.00 N ATOM 794 CA ASP A 49 7.184 9.339 -0.994 1.00 0.00 C ATOM 795 C ASP A 49 8.635 9.335 -1.464 1.00 0.00 C ATOM 796 O ASP A 49 8.912 9.393 -2.662 1.00 0.00 O ATOM 797 CB ASP A 49 7.087 10.048 0.359 1.00 0.00 C ATOM 798 CG ASP A 49 5.671 10.466 0.701 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.253 11.561 0.267 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.977 9.700 1.403 1.00 0.00 O ATOM 0 H ASP A 49 7.364 7.255 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 49 6.581 9.878 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.464 9.387 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.729 10.929 0.350 1.00 0.00 H new ATOM 805 N GLU A 50 9.556 9.266 -0.509 1.00 0.00 N ATOM 806 CA GLU A 50 10.979 9.266 -0.809 1.00 0.00 C ATOM 807 C GLU A 50 11.693 8.123 -0.096 1.00 0.00 C ATOM 808 O GLU A 50 12.706 7.614 -0.573 1.00 0.00 O ATOM 809 CB GLU A 50 11.583 10.600 -0.383 1.00 0.00 C ATOM 810 CG GLU A 50 11.536 10.833 1.119 1.00 0.00 C ATOM 811 CD GLU A 50 12.166 12.152 1.525 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.438 13.166 1.577 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.385 12.170 1.793 1.00 0.00 O ATOM 0 H GLU A 50 9.338 9.209 0.486 1.00 0.00 H new ATOM 0 HA GLU A 50 11.108 9.125 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.619 10.644 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.051 11.408 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.499 10.812 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.051 10.017 1.626 1.00 0.00 H new ATOM 820 N ILE A 51 11.154 7.729 1.052 1.00 0.00 N ATOM 821 CA ILE A 51 11.733 6.654 1.846 1.00 0.00 C ATOM 822 C ILE A 51 11.455 5.294 1.221 1.00 0.00 C ATOM 823 O ILE A 51 12.336 4.684 0.623 1.00 0.00 O ATOM 824 CB ILE A 51 11.171 6.670 3.278 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.133 8.100 3.815 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.993 5.770 4.187 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.504 8.708 4.035 1.00 0.00 C ATOM 0 H ILE A 51 10.312 8.141 1.455 1.00 0.00 H new ATOM 0 HA ILE A 51 12.810 6.819 1.874 1.00 0.00 H new ATOM 0 HB ILE A 51 10.152 6.284 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.576 8.725 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.586 8.110 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.579 5.795 5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.965 4.748 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.025 6.121 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.395 9.723 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.057 8.107 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.047 8.732 3.090 1.00 0.00 H new ATOM 839 N LEU A 52 10.230 4.815 1.390 1.00 0.00 N ATOM 840 CA LEU A 52 9.825 3.532 0.828 1.00 0.00 C ATOM 841 C LEU A 52 8.983 3.719 -0.428 1.00 0.00 C ATOM 842 O LEU A 52 7.890 4.280 -0.366 1.00 0.00 O ATOM 843 CB LEU A 52 9.023 2.731 1.855 1.00 0.00 C ATOM 844 CG LEU A 52 9.790 1.601 2.537 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.981 1.024 3.687 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.140 0.511 1.537 1.00 0.00 C ATOM 0 H LEU A 52 9.498 5.296 1.913 1.00 0.00 H new ATOM 0 HA LEU A 52 10.732 2.988 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.657 3.415 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.148 2.309 1.361 1.00 0.00 H new ATOM 0 HG LEU A 52 10.717 2.012 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.544 0.220 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.780 1.806 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.038 0.631 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.686 -0.285 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.225 0.106 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.760 0.930 0.745 1.00 0.00 H new ATOM 858 N GLU A 53 9.504 3.269 -1.571 1.00 0.00 N ATOM 859 CA GLU A 53 8.773 3.355 -2.829 1.00 0.00 C ATOM 860 C GLU A 53 7.589 2.398 -2.808 1.00 0.00 C ATOM 861 O GLU A 53 7.575 1.389 -3.512 1.00 0.00 O ATOM 862 CB GLU A 53 9.689 3.016 -4.004 1.00 0.00 C ATOM 863 CG GLU A 53 10.127 4.224 -4.802 1.00 0.00 C ATOM 864 CD GLU A 53 9.267 4.460 -6.026 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.599 3.915 -7.100 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.261 5.193 -5.914 1.00 0.00 O ATOM 0 H GLU A 53 10.428 2.843 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 53 8.410 4.376 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.573 2.501 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.173 2.321 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.094 5.107 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.164 4.093 -5.111 1.00 0.00 H new ATOM 873 N VAL A 54 6.602 2.720 -1.986 1.00 0.00 N ATOM 874 CA VAL A 54 5.422 1.890 -1.852 1.00 0.00 C ATOM 875 C VAL A 54 4.498 2.016 -3.051 1.00 0.00 C ATOM 876 O VAL A 54 3.518 2.762 -3.018 1.00 0.00 O ATOM 877 CB VAL A 54 4.619 2.236 -0.589 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.531 1.200 -0.370 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.532 2.344 0.622 1.00 0.00 C ATOM 0 H VAL A 54 6.598 3.555 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 54 5.790 0.866 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 54 4.146 3.208 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.965 1.451 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.861 1.188 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.984 0.216 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.940 2.590 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.041 1.393 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.271 3.127 0.452 1.00 0.00 H new ATOM 889 N VAL A 55 4.817 1.297 -4.114 1.00 0.00 N ATOM 890 CA VAL A 55 3.983 1.307 -5.299 1.00 0.00 C ATOM 891 C VAL A 55 2.776 0.421 -5.060 1.00 0.00 C ATOM 892 O VAL A 55 2.747 -0.746 -5.454 1.00 0.00 O ATOM 893 CB VAL A 55 4.731 0.812 -6.540 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.862 0.985 -7.773 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.055 1.546 -6.696 1.00 0.00 C ATOM 0 H VAL A 55 5.643 0.703 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 55 3.681 2.338 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 55 4.951 -0.249 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.402 0.630 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.944 0.410 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.616 2.039 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.571 1.180 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.868 2.615 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.675 1.369 -5.817 1.00 0.00 H new ATOM 905 N CYS A 56 1.792 0.987 -4.392 1.00 0.00 N ATOM 906 CA CYS A 56 0.577 0.266 -4.053 1.00 0.00 C ATOM 907 C CYS A 56 -0.534 0.551 -5.047 1.00 0.00 C ATOM 908 O CYS A 56 -0.756 1.696 -5.441 1.00 0.00 O ATOM 909 CB CYS A 56 0.117 0.640 -2.643 1.00 0.00 C ATOM 910 SG CYS A 56 -1.530 0.026 -2.217 1.00 0.00 S ATOM 0 H CYS A 56 1.809 1.954 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 56 0.803 -0.800 -4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.836 0.250 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.125 1.726 -2.546 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.573 -1.261 -2.396 1.00 0.00 H new ATOM 916 N LYS A 57 -1.229 -0.503 -5.445 1.00 0.00 N ATOM 917 CA LYS A 57 -2.331 -0.379 -6.379 1.00 0.00 C ATOM 918 C LYS A 57 -3.573 -1.030 -5.800 1.00 0.00 C ATOM 919 O LYS A 57 -3.623 -2.246 -5.597 1.00 0.00 O ATOM 920 CB LYS A 57 -1.984 -1.015 -7.723 1.00 0.00 C ATOM 921 CG LYS A 57 -0.669 -0.527 -8.314 1.00 0.00 C ATOM 922 CD LYS A 57 0.519 -1.310 -7.775 1.00 0.00 C ATOM 923 CE LYS A 57 0.560 -2.721 -8.336 1.00 0.00 C ATOM 924 NZ LYS A 57 0.715 -2.727 -9.817 1.00 0.00 N ATOM 0 H LYS A 57 -1.046 -1.457 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.523 0.681 -6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.937 -2.097 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.788 -0.809 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.702 -0.619 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.539 0.531 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.443 -0.790 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.465 -1.352 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.387 -3.268 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.356 -3.246 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.073 -3.654 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.207 -2.546 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.388 -1.985 -10.099 1.00 0.00 H new ATOM 938 N TYR A 58 -4.566 -0.207 -5.519 1.00 0.00 N ATOM 939 CA TYR A 58 -5.819 -0.686 -4.963 1.00 0.00 C ATOM 940 C TYR A 58 -6.711 -1.209 -6.081 1.00 0.00 C ATOM 941 O TYR A 58 -7.260 -0.434 -6.865 1.00 0.00 O ATOM 942 CB TYR A 58 -6.522 0.439 -4.189 1.00 0.00 C ATOM 943 CG TYR A 58 -7.715 -0.008 -3.369 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.689 -0.847 -3.906 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.872 0.422 -2.057 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.779 -1.247 -3.163 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.965 0.031 -1.308 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.914 -0.805 -1.865 1.00 0.00 C ATOM 949 OH TYR A 58 -11.003 -1.195 -1.118 1.00 0.00 O ATOM 0 H TYR A 58 -4.529 0.801 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.614 -1.501 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.798 0.912 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.850 1.200 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.588 -1.191 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.129 1.071 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.521 -1.902 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.077 0.377 -0.291 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.946 -0.797 -0.224 1.00 0.00 H new ATOM 959 N THR A 59 -6.850 -2.527 -6.149 1.00 0.00 N ATOM 960 CA THR A 59 -7.678 -3.155 -7.168 1.00 0.00 C ATOM 961 C THR A 59 -9.047 -3.518 -6.602 1.00 0.00 C ATOM 962 O THR A 59 -9.161 -4.423 -5.776 1.00 0.00 O ATOM 963 CB THR A 59 -7.013 -4.426 -7.727 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.625 -4.181 -7.983 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.695 -4.871 -9.011 1.00 0.00 C ATOM 0 H THR A 59 -6.399 -3.181 -5.510 1.00 0.00 H new ATOM 0 HA THR A 59 -7.796 -2.433 -7.976 1.00 0.00 H new ATOM 0 HB THR A 59 -7.112 -5.218 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.209 -4.995 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.209 -5.771 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.745 -5.083 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.621 -4.079 -9.756 1.00 0.00 H new ATOM 973 N PRO A 60 -10.102 -2.802 -7.026 1.00 0.00 N ATOM 974 CA PRO A 60 -11.462 -3.040 -6.574 1.00 0.00 C ATOM 975 C PRO A 60 -12.257 -3.883 -7.562 1.00 0.00 C ATOM 976 O PRO A 60 -11.690 -4.492 -8.469 1.00 0.00 O ATOM 977 CB PRO A 60 -12.011 -1.620 -6.527 1.00 0.00 C ATOM 978 CG PRO A 60 -11.336 -0.918 -7.667 1.00 0.00 C ATOM 979 CD PRO A 60 -10.066 -1.679 -7.972 1.00 0.00 C ATOM 0 HA PRO A 60 -11.516 -3.589 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.095 -1.610 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.786 -1.139 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.987 -0.890 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.111 0.116 -7.403 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.044 -2.025 -9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.182 -1.059 -7.825 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.988 -6.605 -4.036 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.931 -6.717 -3.044 1.00 0.00 C ATOM 1137 C ILE A 73 -7.050 -5.476 -3.026 1.00 0.00 C ATOM 1138 O ILE A 73 -7.413 -4.428 -3.560 1.00 0.00 O ATOM 1139 CB ILE A 73 -7.033 -7.946 -3.278 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.300 -7.852 -4.613 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.833 -9.230 -3.194 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.967 -8.569 -4.599 1.00 0.00 C ATOM 0 HA ILE A 73 -8.438 -6.827 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.284 -7.961 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.927 -8.275 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.141 -6.803 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.174 -10.081 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.286 -9.313 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.616 -9.221 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.490 -8.469 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.326 -8.130 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.124 -9.625 -4.378 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.885 -5.614 -2.402 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.933 -4.522 -2.289 1.00 0.00 C ATOM 1156 C TYR A 74 -3.512 -5.045 -2.477 1.00 0.00 C ATOM 1157 O TYR A 74 -2.998 -5.770 -1.626 1.00 0.00 O ATOM 1158 CB TYR A 74 -5.070 -3.865 -0.914 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.466 -3.957 -0.329 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.909 -5.120 0.296 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.341 -2.883 -0.399 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.179 -5.206 0.830 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.614 -2.965 0.137 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.027 -4.126 0.748 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.293 -4.207 1.281 1.00 0.00 O ATOM 0 H TYR A 74 -5.578 -6.482 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.140 -3.784 -3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.366 -4.333 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.788 -2.815 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.247 -5.970 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.024 -1.969 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.505 -6.117 1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.282 -2.119 0.076 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.762 -3.358 1.140 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.876 -4.678 -3.587 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.518 -5.132 -3.860 1.00 0.00 C ATOM 1177 C VAL A 75 -0.518 -4.015 -3.589 1.00 0.00 C ATOM 1178 O VAL A 75 -0.507 -2.990 -4.268 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.358 -5.648 -5.307 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.694 -4.567 -6.319 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.050 -6.174 -5.533 1.00 0.00 C ATOM 0 H VAL A 75 -3.276 -4.073 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.316 -5.967 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.062 -6.468 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.571 -4.962 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.726 -4.245 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.026 -3.717 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.144 -6.533 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.769 -5.373 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.248 -6.993 -4.842 1.00 0.00 H new ATOM 1191 N VAL A 76 0.315 -4.221 -2.582 1.00 0.00 N ATOM 1192 CA VAL A 76 1.306 -3.224 -2.195 1.00 0.00 C ATOM 1193 C VAL A 76 2.731 -3.650 -2.544 1.00 0.00 C ATOM 1194 O VAL A 76 3.179 -4.729 -2.155 1.00 0.00 O ATOM 1195 CB VAL A 76 1.237 -2.947 -0.681 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.194 -1.831 -0.298 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.186 -2.612 -0.260 1.00 0.00 C ATOM 0 H VAL A 76 0.327 -5.069 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 76 1.066 -2.322 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 76 1.541 -3.850 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.131 -1.650 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.212 -2.120 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.926 -0.922 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.212 -2.420 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.525 -1.725 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.842 -3.450 -0.495 1.00 0.00 H new ATOM 1207 N LEU A 77 3.437 -2.791 -3.281 1.00 0.00 N ATOM 1208 CA LEU A 77 4.824 -3.049 -3.652 1.00 0.00 C ATOM 1209 C LEU A 77 5.737 -2.094 -2.905 1.00 0.00 C ATOM 1210 O LEU A 77 5.875 -0.935 -3.283 1.00 0.00 O ATOM 1211 CB LEU A 77 5.033 -2.884 -5.158 1.00 0.00 C ATOM 1212 CG LEU A 77 4.320 -3.922 -6.026 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.568 -3.642 -7.500 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.778 -5.324 -5.662 1.00 0.00 C ATOM 0 H LEU A 77 3.067 -1.908 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 77 5.063 -4.078 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.691 -1.891 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.102 -2.928 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 77 3.248 -3.853 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.054 -4.390 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.190 -2.651 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.638 -3.685 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.261 -6.050 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.853 -5.408 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.549 -5.521 -4.615 1.00 0.00 H new ATOM 1226 N VAL A 78 6.367 -2.581 -1.852 1.00 0.00 N ATOM 1227 CA VAL A 78 7.245 -1.740 -1.052 1.00 0.00 C ATOM 1228 C VAL A 78 8.697 -1.878 -1.496 1.00 0.00 C ATOM 1229 O VAL A 78 9.319 -2.924 -1.312 1.00 0.00 O ATOM 1230 CB VAL A 78 7.122 -2.066 0.447 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.738 -0.816 1.236 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.108 -3.176 0.681 1.00 0.00 C ATOM 0 H VAL A 78 6.290 -3.546 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 78 6.930 -0.708 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 78 8.093 -2.415 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.655 -1.065 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.503 -0.052 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.781 -0.438 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.040 -3.387 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.132 -2.862 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.424 -4.075 0.152 1.00 0.00 H new ATOM 1242 N LYS A 79 9.225 -0.808 -2.087 1.00 0.00 N ATOM 1243 CA LYS A 79 10.601 -0.794 -2.577 1.00 0.00 C ATOM 1244 C LYS A 79 11.456 0.222 -1.818 1.00 0.00 C ATOM 1245 O LYS A 79 11.446 1.408 -2.141 1.00 0.00 O ATOM 1246 CB LYS A 79 10.617 -0.463 -4.071 1.00 0.00 C ATOM 1247 CG LYS A 79 10.324 -1.658 -4.964 1.00 0.00 C ATOM 1248 CD LYS A 79 10.383 -1.283 -6.437 1.00 0.00 C ATOM 1249 CE LYS A 79 9.274 -0.313 -6.815 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.320 0.047 -8.259 1.00 0.00 N ATOM 0 H LYS A 79 8.718 0.064 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 79 11.025 -1.785 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.882 0.317 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.593 -0.055 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.044 -2.451 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.337 -2.056 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.351 -0.834 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.302 -2.184 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.307 -0.759 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.361 0.591 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.548 0.709 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.233 0.496 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.211 -0.812 -8.835 1.00 0.00 H new ATOM 1264 N PRO A 80 12.209 -0.226 -0.796 1.00 0.00 N ATOM 1265 CA PRO A 80 13.069 0.659 -0.005 1.00 0.00 C ATOM 1266 C PRO A 80 13.972 1.529 -0.872 1.00 0.00 C ATOM 1267 O PRO A 80 14.966 1.060 -1.427 1.00 0.00 O ATOM 1268 CB PRO A 80 13.907 -0.295 0.855 1.00 0.00 C ATOM 1269 CG PRO A 80 13.611 -1.674 0.357 1.00 0.00 C ATOM 1270 CD PRO A 80 12.275 -1.613 -0.324 1.00 0.00 C ATOM 0 HA PRO A 80 12.477 1.361 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.969 -0.068 0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.648 -0.198 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.383 -2.008 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.592 -2.387 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.209 -2.323 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.461 -1.845 0.363 1.00 0.00 H new ATOM 1278 N ARG A 81 13.610 2.802 -0.985 1.00 0.00 N ATOM 1279 CA ARG A 81 14.372 3.758 -1.779 1.00 0.00 C ATOM 1280 C ARG A 81 15.700 4.099 -1.111 1.00 0.00 C ATOM 1281 O ARG A 81 16.734 4.187 -1.774 1.00 0.00 O ATOM 1282 CB ARG A 81 13.557 5.035 -1.977 1.00 0.00 C ATOM 1283 CG ARG A 81 13.134 5.275 -3.412 1.00 0.00 C ATOM 1284 CD ARG A 81 12.200 6.469 -3.517 1.00 0.00 C ATOM 1285 NE ARG A 81 11.857 6.777 -4.903 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.304 7.921 -5.290 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.034 8.866 -4.400 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.022 8.124 -6.570 1.00 0.00 N ATOM 0 H ARG A 81 12.786 3.198 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 81 14.582 3.301 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.667 4.988 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.145 5.887 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.016 5.444 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.637 4.386 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.288 6.266 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.671 7.339 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 81 12.053 6.073 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.251 8.716 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.609 9.743 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.230 7.401 -7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.597 9.003 -6.865 1.00 0.00 H new ATOM 1302 N LYS A 82 15.664 4.289 0.203 1.00 0.00 N ATOM 1303 CA LYS A 82 16.860 4.635 0.961 1.00 0.00 C ATOM 1304 C LYS A 82 17.331 3.458 1.809 1.00 0.00 C ATOM 1305 O LYS A 82 16.675 2.418 1.863 1.00 0.00 O ATOM 1306 CB LYS A 82 16.581 5.846 1.854 1.00 0.00 C ATOM 1307 CG LYS A 82 16.028 7.044 1.098 1.00 0.00 C ATOM 1308 CD LYS A 82 15.737 8.208 2.033 1.00 0.00 C ATOM 1309 CE LYS A 82 15.152 9.392 1.280 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.083 9.902 0.235 1.00 0.00 N ATOM 0 H LYS A 82 14.817 4.209 0.766 1.00 0.00 H new ATOM 0 HA LYS A 82 17.652 4.883 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.873 5.559 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.504 6.138 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.743 7.357 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.114 6.757 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.041 7.888 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.656 8.512 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.211 9.097 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.923 10.192 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.753 10.829 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.037 9.999 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.110 9.234 -0.562 1.00 0.00 H new ATOM 1324 N ARG A 83 18.475 3.629 2.465 1.00 0.00 N ATOM 1325 CA ARG A 83 19.035 2.585 3.313 1.00 0.00 C ATOM 1326 C ARG A 83 19.053 3.020 4.774 1.00 0.00 C ATOM 1327 O ARG A 83 19.628 4.053 5.117 1.00 0.00 O ATOM 1328 CB ARG A 83 20.454 2.247 2.853 1.00 0.00 C ATOM 1329 CG ARG A 83 20.544 1.903 1.376 1.00 0.00 C ATOM 1330 CD ARG A 83 21.987 1.855 0.904 1.00 0.00 C ATOM 1331 NE ARG A 83 22.090 1.505 -0.510 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.230 1.525 -1.194 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.361 1.877 -0.596 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.240 1.193 -2.477 1.00 0.00 N ATOM 0 H ARG A 83 19.032 4.482 2.425 1.00 0.00 H new ATOM 0 HA ARG A 83 18.405 1.699 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.107 3.094 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.827 1.406 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.069 0.939 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.994 2.643 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.456 2.825 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.539 1.127 1.499 1.00 0.00 H new ATOM 0 HE ARG A 83 21.239 1.230 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.358 2.133 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.234 1.891 -1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.373 0.922 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.115 1.209 -3.001 1.00 0.00 H new ATOM 1348 N GLY A 84 18.418 2.227 5.633 1.00 0.00 N ATOM 1349 CA GLY A 84 18.374 2.548 7.047 1.00 0.00 C ATOM 1350 C GLY A 84 17.285 1.790 7.780 1.00 0.00 C ATOM 1351 O GLY A 84 17.444 0.611 8.097 1.00 0.00 O ATOM 0 H GLY A 84 17.933 1.368 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.339 2.319 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.212 3.619 7.168 1.00 0.00 H new ATOM 1355 N HIS A 85 16.176 2.469 8.053 1.00 0.00 N ATOM 1356 CA HIS A 85 15.054 1.853 8.750 1.00 0.00 C ATOM 1357 C HIS A 85 13.728 2.373 8.210 1.00 0.00 C ATOM 1358 O HIS A 85 13.211 3.390 8.674 1.00 0.00 O ATOM 1359 CB HIS A 85 15.148 2.120 10.253 1.00 0.00 C ATOM 1360 CG HIS A 85 14.055 1.475 11.047 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.949 2.162 11.502 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.900 0.196 11.469 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.163 1.336 12.170 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.718 0.138 12.164 1.00 0.00 N ATOM 0 H HIS A 85 16.031 3.447 7.802 1.00 0.00 H new ATOM 0 HA HIS A 85 15.099 0.778 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.110 1.761 10.618 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.123 3.196 10.424 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.580 -0.624 11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.226 1.596 12.641 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.331 -0.696 12.605 1.00 0.00 H new ATOM 1373 N HIS A 86 13.189 1.672 7.220 1.00 0.00 N ATOM 1374 CA HIS A 86 11.924 2.055 6.609 1.00 0.00 C ATOM 1375 C HIS A 86 10.781 1.213 7.165 1.00 0.00 C ATOM 1376 O HIS A 86 11.010 0.272 7.923 1.00 0.00 O ATOM 1377 CB HIS A 86 12.003 1.891 5.093 1.00 0.00 C ATOM 1378 CG HIS A 86 13.144 2.629 4.468 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.094 3.310 5.201 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.486 2.796 3.169 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.968 3.862 4.380 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.621 3.565 3.141 1.00 0.00 N ATOM 0 H HIS A 86 13.611 0.833 6.823 1.00 0.00 H new ATOM 0 HA HIS A 86 11.730 3.101 6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.093 0.831 4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.070 2.239 4.649 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.117 3.377 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.962 2.397 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.822 4.456 4.672 1.00 0.00 H new ATOM 1391 N THR A 87 9.553 1.553 6.782 1.00 0.00 N ATOM 1392 CA THR A 87 8.384 0.821 7.255 1.00 0.00 C ATOM 1393 C THR A 87 7.170 1.048 6.359 1.00 0.00 C ATOM 1394 O THR A 87 7.025 2.105 5.744 1.00 0.00 O ATOM 1395 CB THR A 87 8.019 1.228 8.692 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.144 1.052 9.558 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.851 0.400 9.200 1.00 0.00 C ATOM 0 H THR A 87 9.343 2.325 6.150 1.00 0.00 H new ATOM 0 HA THR A 87 8.651 -0.235 7.228 1.00 0.00 H new ATOM 0 HB THR A 87 7.732 2.279 8.686 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.022 0.239 10.092 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.607 0.702 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.985 0.559 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.122 -0.656 9.190 1.00 0.00 H new ATOM 1405 N LEU A 88 6.296 0.045 6.298 1.00 0.00 N ATOM 1406 CA LEU A 88 5.084 0.124 5.493 1.00 0.00 C ATOM 1407 C LEU A 88 3.852 0.118 6.388 1.00 0.00 C ATOM 1408 O LEU A 88 3.299 -0.938 6.698 1.00 0.00 O ATOM 1409 CB LEU A 88 5.016 -1.046 4.514 1.00 0.00 C ATOM 1410 CG LEU A 88 3.701 -1.167 3.738 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.571 -0.039 2.729 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.615 -2.518 3.047 1.00 0.00 C ATOM 0 H LEU A 88 6.408 -0.836 6.800 1.00 0.00 H new ATOM 0 HA LEU A 88 5.109 1.056 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.834 -0.950 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.181 -1.971 5.066 1.00 0.00 H new ATOM 0 HG LEU A 88 2.875 -1.089 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.631 -0.142 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.587 0.919 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.402 -0.083 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.675 -2.588 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.448 -2.625 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.661 -3.312 3.793 1.00 0.00 H new ATOM 1424 N GLU A 89 3.434 1.302 6.811 1.00 0.00 N ATOM 1425 CA GLU A 89 2.276 1.435 7.676 1.00 0.00 C ATOM 1426 C GLU A 89 0.970 1.244 6.917 1.00 0.00 C ATOM 1427 O GLU A 89 0.437 2.187 6.336 1.00 0.00 O ATOM 1428 CB GLU A 89 2.284 2.805 8.342 1.00 0.00 C ATOM 1429 CG GLU A 89 3.430 2.991 9.309 1.00 0.00 C ATOM 1430 CD GLU A 89 3.494 4.393 9.882 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.865 4.634 10.933 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.173 5.251 9.279 1.00 0.00 O ATOM 0 H GLU A 89 3.882 2.185 6.567 1.00 0.00 H new ATOM 0 HA GLU A 89 2.339 0.651 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.338 3.575 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.343 2.949 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.331 2.274 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.368 2.768 8.801 1.00 0.00 H new ATOM 1439 N LEU A 90 0.462 0.016 6.920 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.799 -0.287 6.253 1.00 0.00 C ATOM 1441 C LEU A 90 -1.907 -0.442 7.284 1.00 0.00 C ATOM 1442 O LEU A 90 -1.753 -1.157 8.275 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.692 -1.557 5.404 1.00 0.00 C ATOM 1444 CG LEU A 90 0.129 -1.414 4.119 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.201 -2.746 3.386 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.465 -0.341 3.218 1.00 0.00 C ATOM 0 H LEU A 90 0.903 -0.783 7.375 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.036 0.543 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.250 -2.346 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.698 -1.884 5.139 1.00 0.00 H new ATOM 0 HG LEU A 90 1.141 -1.111 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.788 -2.629 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.673 -3.490 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.806 -3.075 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.133 -0.256 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.487 -0.612 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.467 0.614 3.743 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.024 0.233 7.046 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.150 0.188 7.965 1.00 0.00 C ATOM 1460 C VAL A 91 -5.473 -0.028 7.229 1.00 0.00 C ATOM 1461 O VAL A 91 -5.610 0.320 6.051 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.234 1.498 8.769 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.503 2.672 7.835 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.294 1.406 9.857 1.00 0.00 C ATOM 0 H VAL A 91 -3.173 0.818 6.224 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.985 -0.654 8.637 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.276 1.663 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.560 3.593 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.695 2.751 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.447 2.513 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.331 2.345 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.266 1.213 9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.045 0.594 10.540 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.439 -0.616 7.935 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.766 -0.862 7.380 1.00 0.00 C ATOM 1476 C TYR A 92 -8.705 0.263 7.811 1.00 0.00 C ATOM 1477 O TYR A 92 -9.352 0.173 8.853 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.295 -2.214 7.862 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.397 -2.803 7.006 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.405 -2.633 5.627 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.421 -3.544 7.580 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.404 -3.182 4.846 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.422 -4.098 6.806 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.409 -3.914 5.440 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.402 -4.465 4.666 1.00 0.00 O ATOM 0 H TYR A 92 -6.324 -0.932 8.898 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.709 -0.886 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.466 -2.921 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.665 -2.102 8.881 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.617 -2.062 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.435 -3.690 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.397 -3.038 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.211 -4.672 7.269 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.034 -4.718 3.793 1.00 0.00 H new ATOM 1495 N THR A 93 -8.771 1.321 7.007 1.00 0.00 N ATOM 1496 CA THR A 93 -9.592 2.481 7.342 1.00 0.00 C ATOM 1497 C THR A 93 -10.499 2.927 6.204 1.00 0.00 C ATOM 1498 O THR A 93 -10.170 2.761 5.034 1.00 0.00 O ATOM 1499 CB THR A 93 -8.699 3.669 7.698 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.503 4.815 7.995 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.765 3.984 6.541 1.00 0.00 C ATOM 0 H THR A 93 -8.268 1.399 6.123 1.00 0.00 H new ATOM 0 HA THR A 93 -10.213 2.170 8.182 1.00 0.00 H new ATOM 0 HB THR A 93 -8.106 3.412 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.269 4.544 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.133 4.832 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.140 3.116 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.352 4.230 5.656 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.627 3.531 6.567 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.577 4.044 5.589 1.00 0.00 C ATOM 1511 C ARG A 94 -12.189 5.468 5.191 1.00 0.00 C ATOM 1512 O ARG A 94 -12.438 6.410 5.941 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.995 4.043 6.166 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.484 2.670 6.594 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.879 2.739 7.196 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.860 3.256 6.246 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.141 3.456 6.544 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.593 3.184 7.761 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.971 3.928 5.624 1.00 0.00 N ATOM 0 H ARG A 94 -11.905 3.677 7.537 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.554 3.399 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.028 4.714 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.680 4.446 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.490 2.000 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.792 2.247 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.182 1.745 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.861 3.375 8.081 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.545 3.476 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.958 2.820 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.576 3.338 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.627 4.138 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.953 4.081 5.853 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.555 5.644 4.015 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.129 6.960 3.530 1.00 0.00 C ATOM 1535 C PRO A 95 -12.221 8.023 3.642 1.00 0.00 C ATOM 1536 O PRO A 95 -11.937 9.185 3.936 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.773 6.717 2.054 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.135 5.294 1.762 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.183 4.582 3.076 1.00 0.00 C ATOM 0 HA PRO A 95 -10.301 7.345 4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.322 7.399 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.712 6.892 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.099 5.236 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.400 4.836 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.915 3.774 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.220 4.138 3.330 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.466 7.623 3.408 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.592 8.541 3.472 1.00 0.00 C ATOM 1549 C PHE A 96 -15.161 8.646 4.887 1.00 0.00 C ATOM 1550 O PHE A 96 -16.292 9.094 5.076 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.682 8.086 2.504 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.758 6.594 2.329 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -16.488 5.817 3.214 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -15.102 5.972 1.279 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -16.560 4.446 3.055 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.171 4.602 1.115 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.901 3.837 2.004 1.00 0.00 C ATOM 0 H PHE A 96 -13.719 6.664 3.171 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.234 9.530 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.646 8.450 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -15.507 8.547 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -17.006 6.288 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -14.530 6.565 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.131 3.851 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -14.655 4.129 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.957 2.766 1.878 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.370 8.243 5.878 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.802 8.292 7.274 1.00 0.00 C ATOM 1569 C GLU A 97 -13.621 8.511 8.216 1.00 0.00 C ATOM 1570 O GLU A 97 -13.790 8.551 9.435 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.521 6.995 7.655 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.896 6.847 7.024 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.906 7.828 7.588 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.538 7.504 8.614 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.063 8.920 7.003 1.00 0.00 O ATOM 0 H GLU A 97 -13.427 7.879 5.742 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.487 9.134 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.903 6.148 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.623 6.952 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.815 6.994 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.256 5.830 7.181 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.427 8.651 7.649 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.244 8.853 8.465 1.00 0.00 C ATOM 1584 C GLY A 98 -10.731 7.558 9.055 1.00 0.00 C ATOM 1585 O GLY A 98 -11.323 6.498 8.846 1.00 0.00 O ATOM 0 H GLY A 98 -12.258 8.628 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.461 9.310 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.474 9.551 9.270 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.634 7.641 9.795 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.036 6.462 10.401 1.00 0.00 C ATOM 1591 C ILE A 99 -9.291 6.404 11.901 1.00 0.00 C ATOM 1592 O ILE A 99 -9.496 7.429 12.551 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.523 6.423 10.137 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.235 6.883 8.704 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.987 5.020 10.379 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.767 7.115 8.421 1.00 0.00 C ATOM 0 H ILE A 99 -9.141 8.513 9.989 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.508 5.594 9.940 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.018 7.102 10.824 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.616 6.135 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.783 7.805 8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.914 5.003 10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.177 4.731 11.413 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.485 4.320 9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.642 7.438 7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.385 7.885 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.215 6.189 8.580 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.275 5.189 12.442 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.511 4.973 13.861 1.00 0.00 C ATOM 1610 C LYS A 100 -8.537 3.939 14.424 1.00 0.00 C ATOM 1611 O LYS A 100 -7.913 3.188 13.674 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.953 4.517 14.074 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.980 5.543 13.618 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.393 4.983 13.648 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.708 4.190 12.388 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.048 3.544 12.459 1.00 0.00 N ATOM 0 H LYS A 100 -9.099 4.335 11.912 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.347 5.911 14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.116 3.585 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.107 4.304 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.924 6.422 14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.741 5.871 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.512 4.342 14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.107 5.800 13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.670 4.852 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.944 3.427 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.021 2.633 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.305 3.385 13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.756 4.162 12.014 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.397 3.892 15.759 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.496 2.950 16.430 1.00 0.00 C ATOM 1632 C PRO A 101 -7.999 1.514 16.355 1.00 0.00 C ATOM 1633 O PRO A 101 -7.216 0.579 16.189 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.490 3.438 17.880 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.792 4.139 18.050 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.112 4.753 16.717 1.00 0.00 C ATOM 0 HA PRO A 101 -6.509 2.930 15.968 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.395 2.606 18.577 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.652 4.109 18.068 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.573 3.442 18.356 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.725 4.903 18.825 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.185 4.760 16.526 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.771 5.787 16.659 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.312 1.346 16.479 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.923 0.023 16.424 1.00 0.00 C ATOM 1646 C GLU A 102 -9.697 -0.626 15.063 1.00 0.00 C ATOM 1647 O GLU A 102 -9.720 -1.851 14.937 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.416 0.118 16.717 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.119 1.135 15.849 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.601 1.243 16.149 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.973 2.065 17.013 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.389 0.507 15.520 1.00 0.00 O ATOM 0 H GLU A 102 -9.973 2.110 16.618 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.451 -0.600 17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.874 -0.860 16.567 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.560 0.380 17.765 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.653 2.110 15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.984 0.866 14.801 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.484 0.205 14.048 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.253 -0.279 12.690 1.00 0.00 C ATOM 1661 C ASN A 103 -8.098 -1.276 12.643 1.00 0.00 C ATOM 1662 O ASN A 103 -7.148 -1.181 13.421 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.962 0.896 11.757 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.202 1.713 11.445 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.286 2.360 10.401 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.178 1.684 12.347 1.00 0.00 N ATOM 0 H ASN A 103 -9.466 1.221 14.140 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.156 -0.791 12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.212 1.541 12.214 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.535 0.520 10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.037 2.211 12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.068 1.135 13.200 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.192 -2.233 11.722 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.163 -3.252 11.556 1.00 0.00 C ATOM 1675 C GLU A 104 -5.802 -2.613 11.304 1.00 0.00 C ATOM 1676 O GLU A 104 -5.712 -1.437 10.951 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.532 -4.177 10.397 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.176 -5.630 10.641 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.943 -6.580 9.742 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.140 -6.813 10.011 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.347 -7.092 8.772 1.00 0.00 O ATOM 0 H GLU A 104 -8.977 -2.322 11.076 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.101 -3.834 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.603 -4.101 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.025 -3.834 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.107 -5.769 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.378 -5.879 11.683 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.746 -3.400 11.478 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.385 -2.911 11.280 1.00 0.00 C ATOM 1690 C ARG A 105 -2.573 -3.879 10.427 1.00 0.00 C ATOM 1691 O ARG A 105 -2.970 -5.025 10.224 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.695 -2.726 12.639 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.347 -2.027 12.565 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.516 -0.523 12.602 1.00 0.00 C ATOM 1695 NE ARG A 105 -2.073 -0.084 13.876 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.306 1.189 14.182 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -2.032 2.147 13.308 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.815 1.504 15.366 1.00 0.00 N ATOM 0 H ARG A 105 -4.806 -4.380 11.756 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.441 -1.954 10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.353 -2.153 13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.559 -3.704 13.101 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.721 -2.347 13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.832 -2.317 11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.551 -0.042 12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.170 -0.208 11.789 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.297 -0.794 14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.641 1.909 12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.212 3.122 13.547 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.028 0.770 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.994 2.480 15.601 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.453 -3.388 9.906 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.535 -4.192 9.111 1.00 0.00 C ATOM 1714 C TYR A 106 0.708 -3.371 8.797 1.00 0.00 C ATOM 1715 O TYR A 106 0.890 -2.887 7.681 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.204 -4.698 7.833 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.356 -5.664 7.043 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.343 -7.013 7.363 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.425 -5.232 5.981 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.426 -7.907 6.647 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.197 -6.120 5.258 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.194 -7.457 5.596 1.00 0.00 C ATOM 1723 OH TYR A 106 1.961 -8.345 4.879 1.00 0.00 O ATOM 0 H TYR A 106 -1.157 -2.419 10.024 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.244 -5.072 9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.144 -5.184 8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.451 -3.845 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.945 -7.370 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.429 -4.185 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.426 -8.955 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.799 -5.770 4.433 1.00 0.00 H new ATOM 0 HH TYR A 106 1.533 -9.226 4.885 1.00 0.00 H new ATOM 1733 N THR A 107 1.554 -3.206 9.810 1.00 0.00 N ATOM 1734 CA THR A 107 2.773 -2.425 9.669 1.00 0.00 C ATOM 1735 C THR A 107 3.965 -3.314 9.341 1.00 0.00 C ATOM 1736 O THR A 107 4.464 -4.043 10.198 1.00 0.00 O ATOM 1737 CB THR A 107 3.068 -1.634 10.957 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.860 -1.055 11.462 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.085 -0.536 10.695 1.00 0.00 C ATOM 0 H THR A 107 1.415 -3.605 10.738 1.00 0.00 H new ATOM 0 HA THR A 107 2.617 -1.728 8.845 1.00 0.00 H new ATOM 0 HB THR A 107 3.479 -2.323 11.694 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.055 -0.555 12.282 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.278 0.009 11.619 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.014 -0.979 10.334 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.694 0.150 9.943 1.00 0.00 H new ATOM 1747 N LEU A 108 4.417 -3.250 8.093 1.00 0.00 N ATOM 1748 CA LEU A 108 5.551 -4.048 7.648 1.00 0.00 C ATOM 1749 C LEU A 108 6.853 -3.269 7.787 1.00 0.00 C ATOM 1750 O LEU A 108 7.258 -2.548 6.875 1.00 0.00 O ATOM 1751 CB LEU A 108 5.357 -4.492 6.196 1.00 0.00 C ATOM 1752 CG LEU A 108 6.538 -5.251 5.580 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.952 -6.413 6.469 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.187 -5.741 4.185 1.00 0.00 C ATOM 0 H LEU A 108 4.014 -2.652 7.372 1.00 0.00 H new ATOM 0 HA LEU A 108 5.609 -4.932 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.472 -5.125 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.156 -3.610 5.587 1.00 0.00 H new ATOM 0 HG LEU A 108 7.382 -4.566 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.791 -6.938 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.248 -6.035 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.113 -7.100 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.037 -6.277 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.327 -6.409 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.945 -4.889 3.550 1.00 0.00 H new ATOM 1766 N HIS A 109 7.503 -3.417 8.936 1.00 0.00 N ATOM 1767 CA HIS A 109 8.762 -2.732 9.191 1.00 0.00 C ATOM 1768 C HIS A 109 9.895 -3.397 8.419 1.00 0.00 C ATOM 1769 O HIS A 109 9.855 -4.596 8.147 1.00 0.00 O ATOM 1770 CB HIS A 109 9.070 -2.705 10.686 1.00 0.00 C ATOM 1771 CG HIS A 109 8.389 -1.598 11.427 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.030 -0.436 11.807 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.115 -1.482 11.869 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.179 0.343 12.450 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.010 -0.268 12.500 1.00 0.00 N ATOM 0 H HIS A 109 7.178 -4.005 9.704 1.00 0.00 H new ATOM 0 HA HIS A 109 8.669 -1.702 8.846 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.774 -3.658 11.125 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.147 -2.611 10.823 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.327 -2.210 11.748 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.402 1.315 12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.166 0.102 12.937 1.00 0.00 H new ATOM 1784 N LEU A 110 10.906 -2.609 8.076 1.00 0.00 N ATOM 1785 CA LEU A 110 12.045 -3.099 7.308 1.00 0.00 C ATOM 1786 C LEU A 110 13.323 -2.353 7.677 1.00 0.00 C ATOM 1787 O LEU A 110 13.425 -1.143 7.476 1.00 0.00 O ATOM 1788 CB LEU A 110 11.778 -2.933 5.806 1.00 0.00 C ATOM 1789 CG LEU A 110 10.597 -3.741 5.256 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.341 -3.382 3.801 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.850 -5.235 5.400 1.00 0.00 C ATOM 0 H LEU A 110 10.961 -1.620 8.320 1.00 0.00 H new ATOM 0 HA LEU A 110 12.177 -4.154 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.602 -1.877 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.677 -3.218 5.260 1.00 0.00 H new ATOM 0 HG LEU A 110 9.710 -3.489 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.500 -3.964 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.111 -2.319 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.229 -3.605 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.999 -5.788 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.749 -5.507 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.984 -5.482 6.453 1.00 0.00 H new ATOM 1803 N ASN A 111 14.294 -3.079 8.219 1.00 0.00 N ATOM 1804 CA ASN A 111 15.569 -2.487 8.592 1.00 0.00 C ATOM 1805 C ASN A 111 16.498 -2.495 7.387 1.00 0.00 C ATOM 1806 O ASN A 111 17.494 -3.218 7.352 1.00 0.00 O ATOM 1807 CB ASN A 111 16.199 -3.252 9.757 1.00 0.00 C ATOM 1808 CG ASN A 111 17.508 -2.638 10.215 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.710 -1.427 10.110 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.406 -3.472 10.726 1.00 0.00 N ATOM 0 H ASN A 111 14.221 -4.078 8.409 1.00 0.00 H new ATOM 0 HA ASN A 111 15.405 -1.459 8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.500 -3.275 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.371 -4.286 9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.305 -3.117 11.051 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.196 -4.468 10.794 1.00 0.00 H new ATOM 1817 N VAL A 112 16.144 -1.688 6.394 1.00 0.00 N ATOM 1818 CA VAL A 112 16.909 -1.598 5.158 1.00 0.00 C ATOM 1819 C VAL A 112 18.397 -1.406 5.435 1.00 0.00 C ATOM 1820 O VAL A 112 18.801 -0.426 6.061 1.00 0.00 O ATOM 1821 CB VAL A 112 16.408 -0.441 4.269 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.757 -0.699 2.816 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.908 -0.243 4.429 1.00 0.00 C ATOM 0 H VAL A 112 15.324 -1.082 6.423 1.00 0.00 H new ATOM 0 HA VAL A 112 16.764 -2.541 4.632 1.00 0.00 H new ATOM 0 HB VAL A 112 16.907 0.474 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.396 0.127 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.839 -0.783 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.287 -1.626 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.579 0.578 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.388 -1.156 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.681 -0.009 5.469 1.00 0.00 H new ATOM 1833 N LYS A 113 19.209 -2.348 4.965 1.00 0.00 N ATOM 1834 CA LYS A 113 20.650 -2.287 5.159 1.00 0.00 C ATOM 1835 C LYS A 113 21.257 -1.122 4.384 1.00 0.00 C ATOM 1836 O LYS A 113 21.437 -0.042 4.986 1.00 0.00 O ATOM 1837 CB LYS A 113 21.292 -3.602 4.720 1.00 0.00 C ATOM 1838 CG LYS A 113 20.901 -4.796 5.579 1.00 0.00 C ATOM 1839 CD LYS A 113 21.876 -5.012 6.730 1.00 0.00 C ATOM 1840 CE LYS A 113 21.722 -3.954 7.811 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.341 -3.923 8.367 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.548 -1.299 3.182 1.00 0.00 O ATOM 0 H LYS A 113 18.890 -3.165 4.445 1.00 0.00 H new ATOM 0 HA LYS A 113 20.846 -2.129 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.013 -3.804 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.376 -3.491 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.898 -4.644 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.866 -5.692 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.714 -5.999 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 113 22.897 -4.995 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.432 -4.150 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.969 -2.976 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.337 -3.383 9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.702 -3.469 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.019 -4.895 8.550 1.00 0.00 H new