USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 83 ASN : amide:sc= 0.723 K(o=1.6,f=-0.63) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -179:sc= 0.83 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.389 USER MOD Set 2.2: A 74 THR OG1 : rot -72:sc= 0.415 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 70 SER OG : rot -65:sc= 1.32 USER MOD Set 4.1: A 38 MET CE :methyl 139:sc= -0.504 (180deg=-0.95) USER MOD Set 4.2: A 49 SER OG : rot 180:sc= -0.213 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.74) USER MOD Single : A 18 THR OG1 : rot 61:sc= 0.525 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc=0.000896 K(o=0.0009,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= -0.0044 (180deg=-0.0467) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00982 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.531 (180deg=-0.856) USER MOD Single : A 77 ASN : amide:sc= -3.59 K(o=-3.6,f=-0.96) USER MOD Single : A 90 TYR OH : rot -131:sc= 0.172 USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.845 USER MOD Single : A 94 MET CE :methyl -142:sc= -0.27 (180deg=-0.515) USER MOD Single : A 99 SER OG : rot 78:sc= 0.382 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0247 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 -0.508 -4.729 11.296 1.00 12.05 N ATOM 202 CA ILE A 13 0.435 -4.045 10.399 1.00 50.45 C ATOM 203 C ILE A 13 1.293 -3.094 11.260 1.00 74.22 C ATOM 204 O ILE A 13 0.752 -2.358 12.094 1.00 32.32 O ATOM 205 CB ILE A 13 -0.317 -3.213 9.288 1.00 32.14 C ATOM 206 CG1 ILE A 13 -1.307 -4.115 8.487 1.00 62.11 C ATOM 207 CG2 ILE A 13 0.684 -2.505 8.334 1.00 42.55 C ATOM 208 CD1 ILE A 13 -2.170 -3.372 7.477 1.00 70.44 C ATOM 0 HA ILE A 13 1.050 -4.787 9.891 1.00 50.45 H new ATOM 0 HB ILE A 13 -0.896 -2.440 9.793 1.00 32.14 H new ATOM 0 HG12 ILE A 13 -0.736 -4.881 7.962 1.00 62.11 H new ATOM 0 HG13 ILE A 13 -1.959 -4.630 9.192 1.00 62.11 H new ATOM 0 HG21 ILE A 13 0.133 -1.941 7.581 1.00 42.55 H new ATOM 0 HG22 ILE A 13 1.314 -1.825 8.907 1.00 42.55 H new ATOM 0 HG23 ILE A 13 1.309 -3.251 7.843 1.00 42.55 H new ATOM 0 HD11 ILE A 13 -2.826 -4.079 6.969 1.00 70.44 H new ATOM 0 HD12 ILE A 13 -2.773 -2.625 7.993 1.00 70.44 H new ATOM 0 HD13 ILE A 13 -1.530 -2.879 6.745 1.00 70.44 H new ATOM 220 N GLN A 14 2.616 -3.125 11.066 1.00 5.11 N ATOM 221 CA GLN A 14 3.562 -2.228 11.765 1.00 0.50 C ATOM 222 C GLN A 14 4.066 -1.152 10.774 1.00 1.34 C ATOM 223 O GLN A 14 4.406 -1.463 9.623 1.00 45.05 O ATOM 224 CB GLN A 14 4.736 -3.056 12.378 1.00 51.35 C ATOM 225 CG GLN A 14 5.518 -3.901 11.359 1.00 50.30 C ATOM 226 CD GLN A 14 6.660 -4.706 11.971 1.00 43.43 C ATOM 227 OE1 GLN A 14 7.787 -4.232 12.071 1.00 14.41 O ATOM 228 NE2 GLN A 14 6.384 -5.937 12.357 1.00 23.13 N ATOM 0 H GLN A 14 3.069 -3.772 10.420 1.00 5.11 H new ATOM 0 HA GLN A 14 3.060 -1.723 12.590 1.00 0.50 H new ATOM 0 HB2 GLN A 14 5.427 -2.373 12.872 1.00 51.35 H new ATOM 0 HB3 GLN A 14 4.336 -3.716 13.148 1.00 51.35 H new ATOM 0 HG2 GLN A 14 4.829 -4.585 10.864 1.00 50.30 H new ATOM 0 HG3 GLN A 14 5.922 -3.243 10.590 1.00 50.30 H new ATOM 0 HE21 GLN A 14 5.436 -6.301 12.260 1.00 23.13 H new ATOM 0 HE22 GLN A 14 7.118 -6.524 12.752 1.00 23.13 H new ATOM 237 N THR A 15 4.095 0.116 11.220 1.00 30.51 N ATOM 238 CA THR A 15 4.464 1.268 10.372 1.00 54.33 C ATOM 239 C THR A 15 5.920 1.694 10.641 1.00 24.34 C ATOM 240 O THR A 15 6.384 1.658 11.786 1.00 51.21 O ATOM 241 CB THR A 15 3.502 2.475 10.637 1.00 12.42 C ATOM 242 OG1 THR A 15 3.481 2.776 12.044 1.00 75.12 O ATOM 243 CG2 THR A 15 2.068 2.187 10.158 1.00 44.14 C ATOM 0 H THR A 15 3.863 0.373 12.179 1.00 30.51 H new ATOM 0 HA THR A 15 4.372 0.964 9.329 1.00 54.33 H new ATOM 0 HB THR A 15 3.880 3.327 10.071 1.00 12.42 H new ATOM 0 HG1 THR A 15 2.880 3.533 12.208 1.00 75.12 H new ATOM 0 HG21 THR A 15 1.436 3.051 10.362 1.00 44.14 H new ATOM 0 HG22 THR A 15 2.075 1.988 9.086 1.00 44.14 H new ATOM 0 HG23 THR A 15 1.676 1.318 10.686 1.00 44.14 H new ATOM 251 N GLN A 16 6.637 2.070 9.568 1.00 33.44 N ATOM 252 CA GLN A 16 8.030 2.550 9.631 1.00 10.22 C ATOM 253 C GLN A 16 8.179 3.751 8.686 1.00 24.04 C ATOM 254 O GLN A 16 7.771 3.667 7.524 1.00 60.21 O ATOM 255 CB GLN A 16 9.011 1.417 9.220 1.00 72.13 C ATOM 256 CG GLN A 16 10.505 1.795 9.319 1.00 0.52 C ATOM 257 CD GLN A 16 11.447 0.665 8.903 1.00 11.25 C ATOM 258 OE1 GLN A 16 11.833 0.558 7.744 1.00 20.34 O ATOM 259 NE2 GLN A 16 11.815 -0.194 9.842 1.00 13.24 N ATOM 0 H GLN A 16 6.261 2.049 8.620 1.00 33.44 H new ATOM 0 HA GLN A 16 8.269 2.851 10.651 1.00 10.22 H new ATOM 0 HB2 GLN A 16 8.827 0.548 9.851 1.00 72.13 H new ATOM 0 HB3 GLN A 16 8.792 1.119 8.195 1.00 72.13 H new ATOM 0 HG2 GLN A 16 10.694 2.665 8.691 1.00 0.52 H new ATOM 0 HG3 GLN A 16 10.731 2.087 10.345 1.00 0.52 H new ATOM 0 HE21 GLN A 16 11.478 -0.080 10.798 1.00 13.24 H new ATOM 0 HE22 GLN A 16 12.435 -0.969 9.609 1.00 13.24 H new ATOM 268 N ASP A 17 8.745 4.866 9.185 1.00 43.31 N ATOM 269 CA ASP A 17 8.934 6.089 8.374 1.00 34.43 C ATOM 270 C ASP A 17 10.124 5.918 7.411 1.00 25.41 C ATOM 271 O ASP A 17 11.044 5.131 7.671 1.00 1.44 O ATOM 272 CB ASP A 17 9.098 7.358 9.261 1.00 2.22 C ATOM 273 CG ASP A 17 10.394 7.389 10.099 1.00 72.51 C ATOM 274 OD1 ASP A 17 10.405 6.827 11.212 1.00 51.11 O ATOM 275 OD2 ASP A 17 11.397 8.002 9.658 1.00 35.45 O ATOM 0 H ASP A 17 9.080 4.948 10.145 1.00 43.31 H new ATOM 0 HA ASP A 17 8.031 6.236 7.781 1.00 34.43 H new ATOM 0 HB2 ASP A 17 9.073 8.240 8.620 1.00 2.22 H new ATOM 0 HB3 ASP A 17 8.243 7.429 9.934 1.00 2.22 H new ATOM 280 N THR A 18 10.095 6.690 6.318 1.00 32.35 N ATOM 281 CA THR A 18 11.022 6.556 5.178 1.00 34.14 C ATOM 282 C THR A 18 11.699 7.924 4.903 1.00 75.32 C ATOM 283 O THR A 18 11.150 8.951 5.326 1.00 64.21 O ATOM 284 CB THR A 18 10.244 6.042 3.907 1.00 53.11 C ATOM 285 OG1 THR A 18 9.128 6.901 3.611 1.00 14.42 O ATOM 286 CG2 THR A 18 9.730 4.595 4.093 1.00 54.42 C ATOM 0 H THR A 18 9.415 7.441 6.195 1.00 32.35 H new ATOM 0 HA THR A 18 11.796 5.826 5.416 1.00 34.14 H new ATOM 0 HB THR A 18 10.951 6.056 3.077 1.00 53.11 H new ATOM 0 HG1 THR A 18 9.452 7.808 3.429 1.00 14.42 H new ATOM 0 HG21 THR A 18 9.200 4.279 3.195 1.00 54.42 H new ATOM 0 HG22 THR A 18 10.574 3.929 4.269 1.00 54.42 H new ATOM 0 HG23 THR A 18 9.053 4.556 4.947 1.00 54.42 H new ATOM 294 N PRO A 19 12.903 7.970 4.208 1.00 24.22 N ATOM 295 CA PRO A 19 13.608 9.248 3.870 1.00 40.41 C ATOM 296 C PRO A 19 12.720 10.251 3.092 1.00 25.30 C ATOM 297 O PRO A 19 12.959 11.463 3.133 1.00 62.33 O ATOM 298 CB PRO A 19 14.837 8.788 3.024 1.00 63.31 C ATOM 299 CG PRO A 19 14.522 7.380 2.613 1.00 44.30 C ATOM 300 CD PRO A 19 13.698 6.801 3.744 1.00 10.53 C ATOM 0 HA PRO A 19 13.890 9.797 4.768 1.00 40.41 H new ATOM 0 HB2 PRO A 19 14.980 9.430 2.155 1.00 63.31 H new ATOM 0 HB3 PRO A 19 15.756 8.832 3.608 1.00 63.31 H new ATOM 0 HG2 PRO A 19 13.968 7.360 1.674 1.00 44.30 H new ATOM 0 HG3 PRO A 19 15.434 6.804 2.457 1.00 44.30 H new ATOM 0 HD2 PRO A 19 13.058 5.987 3.402 1.00 10.53 H new ATOM 0 HD3 PRO A 19 14.328 6.400 4.538 1.00 10.53 H new ATOM 308 N ASN A 20 11.707 9.723 2.385 1.00 63.12 N ATOM 309 CA ASN A 20 10.660 10.521 1.733 1.00 22.23 C ATOM 310 C ASN A 20 9.460 10.666 2.704 1.00 3.53 C ATOM 311 O ASN A 20 8.814 9.661 3.013 1.00 31.55 O ATOM 312 CB ASN A 20 10.226 9.838 0.408 1.00 15.51 C ATOM 313 CG ASN A 20 11.404 9.639 -0.556 1.00 54.52 C ATOM 314 OD1 ASN A 20 12.051 8.588 -0.567 1.00 43.33 O ATOM 315 ND2 ASN A 20 11.717 10.656 -1.342 1.00 41.42 N ATOM 0 H ASN A 20 11.593 8.719 2.250 1.00 63.12 H new ATOM 0 HA ASN A 20 11.040 11.514 1.491 1.00 22.23 H new ATOM 0 HB2 ASN A 20 9.774 8.871 0.631 1.00 15.51 H new ATOM 0 HB3 ASN A 20 9.460 10.444 -0.077 1.00 15.51 H new ATOM 0 HD21 ASN A 20 12.511 10.583 -1.978 1.00 41.42 H new ATOM 0 HD22 ASN A 20 11.164 11.513 -1.312 1.00 41.42 H new ATOM 322 N PRO A 21 9.148 11.905 3.223 1.00 60.03 N ATOM 323 CA PRO A 21 8.021 12.115 4.182 1.00 72.14 C ATOM 324 C PRO A 21 6.646 11.887 3.518 1.00 40.13 C ATOM 325 O PRO A 21 5.662 11.546 4.177 1.00 11.54 O ATOM 326 CB PRO A 21 8.201 13.590 4.649 1.00 23.21 C ATOM 327 CG PRO A 21 9.571 14.006 4.169 1.00 13.24 C ATOM 328 CD PRO A 21 9.837 13.189 2.925 1.00 11.11 C ATOM 0 HA PRO A 21 8.044 11.408 5.011 1.00 72.14 H new ATOM 0 HB2 PRO A 21 7.427 14.231 4.228 1.00 23.21 H new ATOM 0 HB3 PRO A 21 8.125 13.669 5.733 1.00 23.21 H new ATOM 0 HG2 PRO A 21 9.601 15.073 3.950 1.00 13.24 H new ATOM 0 HG3 PRO A 21 10.327 13.816 4.931 1.00 13.24 H new ATOM 0 HD2 PRO A 21 9.433 13.667 2.033 1.00 11.11 H new ATOM 0 HD3 PRO A 21 10.904 13.046 2.755 1.00 11.11 H new ATOM 336 N ASN A 22 6.634 12.048 2.185 1.00 74.51 N ATOM 337 CA ASN A 22 5.465 11.824 1.310 1.00 41.12 C ATOM 338 C ASN A 22 5.006 10.349 1.338 1.00 52.12 C ATOM 339 O ASN A 22 3.863 10.043 0.992 1.00 20.31 O ATOM 340 CB ASN A 22 5.849 12.219 -0.134 1.00 64.34 C ATOM 341 CG ASN A 22 6.381 13.655 -0.250 1.00 71.10 C ATOM 342 OD1 ASN A 22 7.549 13.918 0.041 1.00 65.43 O ATOM 343 ND2 ASN A 22 5.547 14.581 -0.696 1.00 62.34 N ATOM 0 H ASN A 22 7.461 12.347 1.668 1.00 74.51 H new ATOM 0 HA ASN A 22 4.637 12.434 1.671 1.00 41.12 H new ATOM 0 HB2 ASN A 22 6.606 11.527 -0.503 1.00 64.34 H new ATOM 0 HB3 ASN A 22 4.976 12.109 -0.778 1.00 64.34 H new ATOM 0 HD21 ASN A 22 5.866 15.544 -0.807 1.00 62.34 H new ATOM 0 HD22 ASN A 22 4.586 14.332 -0.929 1.00 62.34 H new ATOM 350 N SER A 23 5.912 9.460 1.779 1.00 3.41 N ATOM 351 CA SER A 23 5.719 8.008 1.771 1.00 75.31 C ATOM 352 C SER A 23 5.811 7.442 3.201 1.00 21.30 C ATOM 353 O SER A 23 6.481 8.019 4.067 1.00 30.23 O ATOM 354 CB SER A 23 6.774 7.360 0.844 1.00 2.11 C ATOM 355 OG SER A 23 6.680 7.894 -0.465 1.00 25.15 O ATOM 0 H SER A 23 6.816 9.741 2.158 1.00 3.41 H new ATOM 0 HA SER A 23 4.725 7.775 1.390 1.00 75.31 H new ATOM 0 HB2 SER A 23 7.773 7.534 1.243 1.00 2.11 H new ATOM 0 HB3 SER A 23 6.626 6.280 0.814 1.00 2.11 H new ATOM 0 HG SER A 23 7.355 7.475 -1.039 1.00 25.15 H new ATOM 361 N LEU A 24 5.078 6.344 3.446 1.00 54.33 N ATOM 362 CA LEU A 24 5.143 5.577 4.703 1.00 61.04 C ATOM 363 C LEU A 24 5.151 4.076 4.375 1.00 11.35 C ATOM 364 O LEU A 24 4.364 3.612 3.541 1.00 11.14 O ATOM 365 CB LEU A 24 3.939 5.940 5.617 1.00 4.53 C ATOM 366 CG LEU A 24 3.920 5.302 7.049 1.00 54.02 C ATOM 367 CD1 LEU A 24 5.187 5.654 7.840 1.00 12.01 C ATOM 368 CD2 LEU A 24 2.657 5.718 7.830 1.00 34.13 C ATOM 0 H LEU A 24 4.417 5.959 2.771 1.00 54.33 H new ATOM 0 HA LEU A 24 6.057 5.828 5.241 1.00 61.04 H new ATOM 0 HB2 LEU A 24 3.912 7.024 5.728 1.00 4.53 H new ATOM 0 HB3 LEU A 24 3.023 5.649 5.103 1.00 4.53 H new ATOM 0 HG LEU A 24 3.898 4.220 6.919 1.00 54.02 H new ATOM 0 HD11 LEU A 24 5.139 5.195 8.827 1.00 12.01 H new ATOM 0 HD12 LEU A 24 6.063 5.281 7.309 1.00 12.01 H new ATOM 0 HD13 LEU A 24 5.261 6.736 7.946 1.00 12.01 H new ATOM 0 HD21 LEU A 24 2.673 5.260 8.819 1.00 34.13 H new ATOM 0 HD22 LEU A 24 2.634 6.803 7.933 1.00 34.13 H new ATOM 0 HD23 LEU A 24 1.770 5.386 7.291 1.00 34.13 H new ATOM 380 N LYS A 25 6.042 3.330 5.040 1.00 21.44 N ATOM 381 CA LYS A 25 6.281 1.898 4.794 1.00 42.51 C ATOM 382 C LYS A 25 5.426 1.055 5.767 1.00 33.45 C ATOM 383 O LYS A 25 5.582 1.159 6.986 1.00 14.31 O ATOM 384 CB LYS A 25 7.798 1.647 4.996 1.00 34.32 C ATOM 385 CG LYS A 25 8.311 0.210 4.784 1.00 64.21 C ATOM 386 CD LYS A 25 9.803 0.095 5.191 1.00 24.21 C ATOM 387 CE LYS A 25 10.380 -1.320 5.053 1.00 64.13 C ATOM 388 NZ LYS A 25 10.561 -1.727 3.634 1.00 73.31 N ATOM 0 H LYS A 25 6.631 3.711 5.781 1.00 21.44 H new ATOM 0 HA LYS A 25 5.995 1.609 3.783 1.00 42.51 H new ATOM 0 HB2 LYS A 25 8.342 2.303 4.316 1.00 34.32 H new ATOM 0 HB3 LYS A 25 8.058 1.952 6.010 1.00 34.32 H new ATOM 0 HG2 LYS A 25 7.713 -0.485 5.373 1.00 64.21 H new ATOM 0 HG3 LYS A 25 8.191 -0.074 3.738 1.00 64.21 H new ATOM 0 HD2 LYS A 25 10.390 0.777 4.576 1.00 24.21 H new ATOM 0 HD3 LYS A 25 9.913 0.422 6.225 1.00 24.21 H new ATOM 0 HE2 LYS A 25 11.340 -1.369 5.567 1.00 64.13 H new ATOM 0 HE3 LYS A 25 9.717 -2.029 5.549 1.00 64.13 H new ATOM 0 HZ1 LYS A 25 11.499 -2.159 3.514 1.00 73.31 H new ATOM 0 HZ2 LYS A 25 9.827 -2.416 3.374 1.00 73.31 H new ATOM 0 HZ3 LYS A 25 10.484 -0.891 3.020 1.00 73.31 H new ATOM 402 N PHE A 26 4.514 0.238 5.220 1.00 22.20 N ATOM 403 CA PHE A 26 3.583 -0.604 5.999 1.00 54.32 C ATOM 404 C PHE A 26 4.009 -2.071 5.873 1.00 33.34 C ATOM 405 O PHE A 26 3.762 -2.693 4.842 1.00 4.43 O ATOM 406 CB PHE A 26 2.125 -0.432 5.474 1.00 12.35 C ATOM 407 CG PHE A 26 1.534 0.962 5.675 1.00 74.11 C ATOM 408 CD1 PHE A 26 1.795 1.994 4.772 1.00 64.13 C ATOM 409 CD2 PHE A 26 0.716 1.239 6.773 1.00 43.42 C ATOM 410 CE1 PHE A 26 1.261 3.252 4.961 1.00 63.15 C ATOM 411 CE2 PHE A 26 0.182 2.497 6.957 1.00 23.24 C ATOM 412 CZ PHE A 26 0.453 3.503 6.053 1.00 14.20 C ATOM 0 H PHE A 26 4.398 0.139 4.211 1.00 22.20 H new ATOM 0 HA PHE A 26 3.613 -0.298 7.045 1.00 54.32 H new ATOM 0 HB2 PHE A 26 2.106 -0.670 4.410 1.00 12.35 H new ATOM 0 HB3 PHE A 26 1.485 -1.159 5.975 1.00 12.35 H new ATOM 0 HD1 PHE A 26 2.423 1.805 3.914 1.00 64.13 H new ATOM 0 HD2 PHE A 26 0.499 0.458 7.487 1.00 43.42 H new ATOM 0 HE1 PHE A 26 1.475 4.041 4.255 1.00 63.15 H new ATOM 0 HE2 PHE A 26 -0.450 2.695 7.810 1.00 23.24 H new ATOM 0 HZ PHE A 26 0.033 4.487 6.199 1.00 14.20 H new ATOM 422 N ILE A 27 4.675 -2.618 6.904 1.00 75.21 N ATOM 423 CA ILE A 27 5.026 -4.048 6.953 1.00 51.34 C ATOM 424 C ILE A 27 3.783 -4.801 7.484 1.00 71.03 C ATOM 425 O ILE A 27 3.445 -4.642 8.660 1.00 51.43 O ATOM 426 CB ILE A 27 6.278 -4.365 7.882 1.00 64.33 C ATOM 427 CG1 ILE A 27 7.588 -3.592 7.461 1.00 20.01 C ATOM 428 CG2 ILE A 27 6.552 -5.894 7.940 1.00 43.05 C ATOM 429 CD1 ILE A 27 7.604 -2.102 7.772 1.00 12.14 C ATOM 0 H ILE A 27 4.983 -2.088 7.719 1.00 75.21 H new ATOM 0 HA ILE A 27 5.312 -4.367 5.951 1.00 51.34 H new ATOM 0 HB ILE A 27 6.010 -4.005 8.875 1.00 64.33 H new ATOM 0 HG12 ILE A 27 8.438 -4.058 7.959 1.00 20.01 H new ATOM 0 HG13 ILE A 27 7.736 -3.722 6.389 1.00 20.01 H new ATOM 0 HG21 ILE A 27 7.412 -6.085 8.581 1.00 43.05 H new ATOM 0 HG22 ILE A 27 5.678 -6.405 8.344 1.00 43.05 H new ATOM 0 HG23 ILE A 27 6.758 -6.265 6.936 1.00 43.05 H new ATOM 0 HD11 ILE A 27 8.549 -1.671 7.441 1.00 12.14 H new ATOM 0 HD12 ILE A 27 6.780 -1.613 7.252 1.00 12.14 H new ATOM 0 HD13 ILE A 27 7.494 -1.953 8.846 1.00 12.14 H new ATOM 441 N PRO A 28 3.059 -5.608 6.639 1.00 11.15 N ATOM 442 CA PRO A 28 1.816 -6.301 7.074 1.00 33.20 C ATOM 443 C PRO A 28 2.102 -7.620 7.833 1.00 54.32 C ATOM 444 O PRO A 28 1.181 -8.382 8.144 1.00 30.41 O ATOM 445 CB PRO A 28 1.104 -6.546 5.723 1.00 14.32 C ATOM 446 CG PRO A 28 2.218 -6.788 4.743 1.00 64.23 C ATOM 447 CD PRO A 28 3.390 -5.933 5.216 1.00 54.12 C ATOM 0 HA PRO A 28 1.225 -5.726 7.787 1.00 33.20 H new ATOM 0 HB2 PRO A 28 0.433 -7.403 5.779 1.00 14.32 H new ATOM 0 HB3 PRO A 28 0.500 -5.686 5.432 1.00 14.32 H new ATOM 0 HG2 PRO A 28 2.491 -7.843 4.716 1.00 64.23 H new ATOM 0 HG3 PRO A 28 1.916 -6.511 3.733 1.00 64.23 H new ATOM 0 HD2 PRO A 28 4.333 -6.474 5.140 1.00 54.12 H new ATOM 0 HD3 PRO A 28 3.492 -5.030 4.615 1.00 54.12 H new ATOM 455 N GLY A 29 3.402 -7.881 8.093 1.00 33.32 N ATOM 456 CA GLY A 29 3.864 -9.120 8.716 1.00 4.50 C ATOM 457 C GLY A 29 4.075 -10.251 7.703 1.00 34.25 C ATOM 458 O GLY A 29 4.805 -11.211 7.973 1.00 11.44 O ATOM 0 H GLY A 29 4.155 -7.230 7.872 1.00 33.32 H new ATOM 0 HA2 GLY A 29 4.800 -8.930 9.242 1.00 4.50 H new ATOM 0 HA3 GLY A 29 3.137 -9.439 9.463 1.00 4.50 H new ATOM 462 N LYS A 30 3.412 -10.136 6.535 1.00 22.34 N ATOM 463 CA LYS A 30 3.506 -11.099 5.433 1.00 52.50 C ATOM 464 C LYS A 30 4.367 -10.501 4.306 1.00 62.35 C ATOM 465 O LYS A 30 4.056 -9.406 3.820 1.00 3.01 O ATOM 466 CB LYS A 30 2.087 -11.455 4.915 1.00 45.44 C ATOM 467 CG LYS A 30 1.207 -12.165 5.968 1.00 22.14 C ATOM 468 CD LYS A 30 -0.174 -12.597 5.428 1.00 2.40 C ATOM 469 CE LYS A 30 -0.099 -13.554 4.222 1.00 4.51 C ATOM 470 NZ LYS A 30 0.690 -14.777 4.518 1.00 72.23 N ATOM 0 H LYS A 30 2.787 -9.356 6.333 1.00 22.34 H new ATOM 0 HA LYS A 30 3.977 -12.016 5.787 1.00 52.50 H new ATOM 0 HB2 LYS A 30 1.587 -10.542 4.591 1.00 45.44 H new ATOM 0 HB3 LYS A 30 2.179 -12.096 4.038 1.00 45.44 H new ATOM 0 HG2 LYS A 30 1.735 -13.044 6.338 1.00 22.14 H new ATOM 0 HG3 LYS A 30 1.063 -11.499 6.819 1.00 22.14 H new ATOM 0 HD2 LYS A 30 -0.732 -13.081 6.230 1.00 2.40 H new ATOM 0 HD3 LYS A 30 -0.735 -11.708 5.140 1.00 2.40 H new ATOM 0 HE2 LYS A 30 -1.108 -13.839 3.925 1.00 4.51 H new ATOM 0 HE3 LYS A 30 0.348 -13.033 3.375 1.00 4.51 H new ATOM 0 HZ1 LYS A 30 0.669 -15.412 3.694 1.00 72.23 H new ATOM 0 HZ2 LYS A 30 1.674 -14.513 4.727 1.00 72.23 H new ATOM 0 HZ3 LYS A 30 0.280 -15.264 5.341 1.00 72.23 H new ATOM 484 N PRO A 31 5.487 -11.187 3.898 1.00 54.52 N ATOM 485 CA PRO A 31 6.341 -10.732 2.781 1.00 73.34 C ATOM 486 C PRO A 31 5.593 -10.743 1.433 1.00 31.41 C ATOM 487 O PRO A 31 5.518 -11.781 0.768 1.00 22.53 O ATOM 488 CB PRO A 31 7.544 -11.722 2.813 1.00 41.34 C ATOM 489 CG PRO A 31 7.501 -12.354 4.170 1.00 51.04 C ATOM 490 CD PRO A 31 6.033 -12.428 4.519 1.00 11.22 C ATOM 0 HA PRO A 31 6.659 -9.695 2.888 1.00 73.34 H new ATOM 0 HB2 PRO A 31 7.457 -12.472 2.027 1.00 41.34 H new ATOM 0 HB3 PRO A 31 8.487 -11.200 2.652 1.00 41.34 H new ATOM 0 HG2 PRO A 31 7.955 -13.345 4.159 1.00 51.04 H new ATOM 0 HG3 PRO A 31 8.051 -11.760 4.900 1.00 51.04 H new ATOM 0 HD2 PRO A 31 5.565 -13.324 4.113 1.00 11.22 H new ATOM 0 HD3 PRO A 31 5.873 -12.446 5.597 1.00 11.22 H new ATOM 498 N VAL A 32 5.002 -9.579 1.076 1.00 4.11 N ATOM 499 CA VAL A 32 4.155 -9.422 -0.126 1.00 13.12 C ATOM 500 C VAL A 32 4.946 -9.701 -1.431 1.00 64.52 C ATOM 501 O VAL A 32 4.482 -10.450 -2.299 1.00 24.42 O ATOM 502 CB VAL A 32 3.462 -7.991 -0.168 1.00 21.23 C ATOM 503 CG1 VAL A 32 2.537 -7.790 1.059 1.00 3.53 C ATOM 504 CG2 VAL A 32 4.486 -6.830 -0.272 1.00 52.04 C ATOM 0 H VAL A 32 5.101 -8.720 1.617 1.00 4.11 H new ATOM 0 HA VAL A 32 3.366 -10.171 -0.059 1.00 13.12 H new ATOM 0 HB VAL A 32 2.859 -7.965 -1.076 1.00 21.23 H new ATOM 0 HG11 VAL A 32 2.074 -6.804 1.008 1.00 3.53 H new ATOM 0 HG12 VAL A 32 1.761 -8.556 1.059 1.00 3.53 H new ATOM 0 HG13 VAL A 32 3.124 -7.869 1.974 1.00 3.53 H new ATOM 0 HG21 VAL A 32 3.956 -5.878 -0.297 1.00 52.04 H new ATOM 0 HG22 VAL A 32 5.151 -6.853 0.592 1.00 52.04 H new ATOM 0 HG23 VAL A 32 5.072 -6.943 -1.184 1.00 52.04 H new ATOM 514 N LEU A 33 6.155 -9.112 -1.528 1.00 54.32 N ATOM 515 CA LEU A 33 7.050 -9.241 -2.690 1.00 42.43 C ATOM 516 C LEU A 33 8.504 -9.164 -2.205 1.00 44.31 C ATOM 517 O LEU A 33 9.155 -8.137 -2.328 1.00 12.20 O ATOM 518 CB LEU A 33 6.758 -8.126 -3.757 1.00 12.24 C ATOM 519 CG LEU A 33 5.473 -8.296 -4.633 1.00 75.12 C ATOM 520 CD1 LEU A 33 5.230 -7.063 -5.505 1.00 71.33 C ATOM 521 CD2 LEU A 33 5.558 -9.560 -5.506 1.00 34.01 C ATOM 0 H LEU A 33 6.541 -8.525 -0.788 1.00 54.32 H new ATOM 0 HA LEU A 33 6.876 -10.202 -3.173 1.00 42.43 H new ATOM 0 HB2 LEU A 33 6.689 -7.170 -3.237 1.00 12.24 H new ATOM 0 HB3 LEU A 33 7.617 -8.064 -4.425 1.00 12.24 H new ATOM 0 HG LEU A 33 4.628 -8.406 -3.953 1.00 75.12 H new ATOM 0 HD11 LEU A 33 4.330 -7.211 -6.102 1.00 71.33 H new ATOM 0 HD12 LEU A 33 5.103 -6.187 -4.869 1.00 71.33 H new ATOM 0 HD13 LEU A 33 6.083 -6.911 -6.166 1.00 71.33 H new ATOM 0 HD21 LEU A 33 4.651 -9.651 -6.103 1.00 34.01 H new ATOM 0 HD22 LEU A 33 6.422 -9.488 -6.167 1.00 34.01 H new ATOM 0 HD23 LEU A 33 5.661 -10.437 -4.867 1.00 34.01 H new ATOM 533 N GLU A 34 8.985 -10.243 -1.587 1.00 4.10 N ATOM 534 CA GLU A 34 10.412 -10.375 -1.199 1.00 31.12 C ATOM 535 C GLU A 34 11.273 -10.780 -2.418 1.00 13.32 C ATOM 536 O GLU A 34 12.461 -10.444 -2.495 1.00 31.11 O ATOM 537 CB GLU A 34 10.592 -11.383 -0.003 1.00 43.04 C ATOM 538 CG GLU A 34 9.570 -12.556 0.093 1.00 44.44 C ATOM 539 CD GLU A 34 9.460 -13.440 -1.161 1.00 35.53 C ATOM 540 OE1 GLU A 34 10.274 -14.365 -1.323 1.00 72.54 O ATOM 541 OE2 GLU A 34 8.552 -13.196 -1.998 1.00 21.35 O ATOM 0 H GLU A 34 8.412 -11.050 -1.338 1.00 4.10 H new ATOM 0 HA GLU A 34 10.759 -9.402 -0.852 1.00 31.12 H new ATOM 0 HB2 GLU A 34 11.593 -11.810 -0.067 1.00 43.04 H new ATOM 0 HB3 GLU A 34 10.546 -10.817 0.927 1.00 43.04 H new ATOM 0 HG2 GLU A 34 9.845 -13.187 0.938 1.00 44.44 H new ATOM 0 HG3 GLU A 34 8.586 -12.141 0.312 1.00 44.44 H new ATOM 548 N THR A 35 10.636 -11.493 -3.367 1.00 62.54 N ATOM 549 CA THR A 35 11.284 -12.001 -4.586 1.00 52.32 C ATOM 550 C THR A 35 11.531 -10.875 -5.622 1.00 24.55 C ATOM 551 O THR A 35 12.457 -10.978 -6.440 1.00 14.22 O ATOM 552 CB THR A 35 10.442 -13.176 -5.209 1.00 31.15 C ATOM 553 OG1 THR A 35 11.106 -13.726 -6.363 1.00 75.13 O ATOM 554 CG2 THR A 35 9.008 -12.737 -5.594 1.00 4.44 C ATOM 0 H THR A 35 9.647 -11.734 -3.306 1.00 62.54 H new ATOM 0 HA THR A 35 12.262 -12.391 -4.304 1.00 52.32 H new ATOM 0 HB THR A 35 10.360 -13.941 -4.437 1.00 31.15 H new ATOM 0 HG1 THR A 35 10.567 -14.456 -6.734 1.00 75.13 H new ATOM 0 HG21 THR A 35 8.470 -13.584 -6.019 1.00 4.44 H new ATOM 0 HG22 THR A 35 8.485 -12.383 -4.706 1.00 4.44 H new ATOM 0 HG23 THR A 35 9.058 -11.934 -6.329 1.00 4.44 H new ATOM 562 N ARG A 36 10.725 -9.786 -5.564 1.00 1.21 N ATOM 563 CA ARG A 36 10.835 -8.655 -6.517 1.00 14.21 C ATOM 564 C ARG A 36 10.218 -7.373 -5.938 1.00 3.13 C ATOM 565 O ARG A 36 9.708 -7.371 -4.825 1.00 4.32 O ATOM 566 CB ARG A 36 10.173 -9.002 -7.886 1.00 40.13 C ATOM 567 CG ARG A 36 8.631 -9.189 -7.871 1.00 24.40 C ATOM 568 CD ARG A 36 8.076 -9.514 -9.271 1.00 44.03 C ATOM 569 NE ARG A 36 6.603 -9.617 -9.307 1.00 75.42 N ATOM 570 CZ ARG A 36 5.862 -9.713 -10.431 1.00 54.25 C ATOM 571 NH1 ARG A 36 6.428 -9.734 -11.637 1.00 24.33 N ATOM 572 NH2 ARG A 36 4.549 -9.781 -10.346 1.00 14.10 N ATOM 0 H ARG A 36 9.991 -9.668 -4.866 1.00 1.21 H new ATOM 0 HA ARG A 36 11.897 -8.477 -6.684 1.00 14.21 H new ATOM 0 HB2 ARG A 36 10.416 -8.211 -8.595 1.00 40.13 H new ATOM 0 HB3 ARG A 36 10.626 -9.918 -8.264 1.00 40.13 H new ATOM 0 HG2 ARG A 36 8.370 -9.992 -7.182 1.00 24.40 H new ATOM 0 HG3 ARG A 36 8.159 -8.281 -7.496 1.00 24.40 H new ATOM 0 HD2 ARG A 36 8.396 -8.741 -9.969 1.00 44.03 H new ATOM 0 HD3 ARG A 36 8.507 -10.454 -9.616 1.00 44.03 H new ATOM 0 HE ARG A 36 6.108 -9.615 -8.415 1.00 75.42 H new ATOM 0 HH11 ARG A 36 7.443 -9.677 -11.725 1.00 24.33 H new ATOM 0 HH12 ARG A 36 5.847 -9.807 -12.472 1.00 24.33 H new ATOM 0 HH21 ARG A 36 4.095 -9.761 -9.433 1.00 14.10 H new ATOM 0 HH22 ARG A 36 3.986 -9.854 -11.194 1.00 14.10 H new ATOM 586 N THR A 37 10.302 -6.278 -6.702 1.00 72.13 N ATOM 587 CA THR A 37 9.644 -4.998 -6.384 1.00 2.24 C ATOM 588 C THR A 37 8.693 -4.625 -7.535 1.00 1.32 C ATOM 589 O THR A 37 8.990 -4.907 -8.703 1.00 12.32 O ATOM 590 CB THR A 37 10.695 -3.857 -6.167 1.00 52.13 C ATOM 591 OG1 THR A 37 11.525 -3.723 -7.333 1.00 12.22 O ATOM 592 CG2 THR A 37 11.585 -4.119 -4.937 1.00 2.32 C ATOM 0 H THR A 37 10.835 -6.252 -7.571 1.00 72.13 H new ATOM 0 HA THR A 37 9.083 -5.113 -5.457 1.00 2.24 H new ATOM 0 HB THR A 37 10.141 -2.935 -5.994 1.00 52.13 H new ATOM 0 HG1 THR A 37 12.178 -3.006 -7.189 1.00 12.22 H new ATOM 0 HG21 THR A 37 12.299 -3.303 -4.824 1.00 2.32 H new ATOM 0 HG22 THR A 37 10.963 -4.183 -4.044 1.00 2.32 H new ATOM 0 HG23 THR A 37 12.124 -5.057 -5.071 1.00 2.32 H new ATOM 600 N MET A 38 7.551 -3.998 -7.202 1.00 73.33 N ATOM 601 CA MET A 38 6.524 -3.588 -8.186 1.00 63.24 C ATOM 602 C MET A 38 5.956 -2.223 -7.777 1.00 1.11 C ATOM 603 O MET A 38 5.282 -2.107 -6.751 1.00 75.44 O ATOM 604 CB MET A 38 5.380 -4.645 -8.299 1.00 12.25 C ATOM 605 CG MET A 38 5.782 -5.986 -8.947 1.00 32.14 C ATOM 606 SD MET A 38 4.509 -7.258 -8.773 1.00 21.23 S ATOM 607 CE MET A 38 3.148 -6.543 -9.674 1.00 0.14 C ATOM 0 H MET A 38 7.310 -3.759 -6.240 1.00 73.33 H new ATOM 0 HA MET A 38 6.992 -3.515 -9.168 1.00 63.24 H new ATOM 0 HB2 MET A 38 4.993 -4.845 -7.300 1.00 12.25 H new ATOM 0 HB3 MET A 38 4.563 -4.212 -8.877 1.00 12.25 H new ATOM 0 HG2 MET A 38 5.987 -5.826 -10.006 1.00 32.14 H new ATOM 0 HG3 MET A 38 6.708 -6.340 -8.493 1.00 32.14 H new ATOM 0 HE1 MET A 38 2.656 -7.316 -10.264 1.00 0.14 H new ATOM 0 HE2 MET A 38 2.434 -6.112 -8.973 1.00 0.14 H new ATOM 0 HE3 MET A 38 3.521 -5.763 -10.338 1.00 0.14 H new ATOM 617 N ASP A 39 6.260 -1.195 -8.579 1.00 0.34 N ATOM 618 CA ASP A 39 5.769 0.174 -8.360 1.00 23.33 C ATOM 619 C ASP A 39 4.557 0.434 -9.264 1.00 21.40 C ATOM 620 O ASP A 39 4.493 -0.049 -10.403 1.00 75.01 O ATOM 621 CB ASP A 39 6.890 1.221 -8.607 1.00 62.41 C ATOM 622 CG ASP A 39 7.321 1.348 -10.078 1.00 25.22 C ATOM 623 OD1 ASP A 39 8.081 0.479 -10.564 1.00 52.04 O ATOM 624 OD2 ASP A 39 6.875 2.298 -10.763 1.00 20.25 O ATOM 0 H ASP A 39 6.856 -1.288 -9.402 1.00 0.34 H new ATOM 0 HA ASP A 39 5.461 0.275 -7.319 1.00 23.33 H new ATOM 0 HB2 ASP A 39 6.547 2.194 -8.255 1.00 62.41 H new ATOM 0 HB3 ASP A 39 7.760 0.954 -8.007 1.00 62.41 H new ATOM 629 N PHE A 40 3.582 1.162 -8.719 1.00 32.51 N ATOM 630 CA PHE A 40 2.344 1.538 -9.415 1.00 74.32 C ATOM 631 C PHE A 40 2.196 3.069 -9.332 1.00 74.00 C ATOM 632 O PHE A 40 1.724 3.588 -8.305 1.00 20.04 O ATOM 633 CB PHE A 40 1.122 0.817 -8.770 1.00 43.53 C ATOM 634 CG PHE A 40 1.331 -0.682 -8.548 1.00 23.43 C ATOM 635 CD1 PHE A 40 1.229 -1.585 -9.606 1.00 3.13 C ATOM 636 CD2 PHE A 40 1.648 -1.184 -7.281 1.00 40.11 C ATOM 637 CE1 PHE A 40 1.429 -2.937 -9.405 1.00 55.32 C ATOM 638 CE2 PHE A 40 1.849 -2.532 -7.086 1.00 24.45 C ATOM 639 CZ PHE A 40 1.739 -3.409 -8.144 1.00 13.14 C ATOM 0 H PHE A 40 3.628 1.515 -7.763 1.00 32.51 H new ATOM 0 HA PHE A 40 2.386 1.232 -10.460 1.00 74.32 H new ATOM 0 HB2 PHE A 40 0.899 1.288 -7.813 1.00 43.53 H new ATOM 0 HB3 PHE A 40 0.250 0.961 -9.407 1.00 43.53 H new ATOM 0 HD1 PHE A 40 0.991 -1.223 -10.595 1.00 3.13 H new ATOM 0 HD2 PHE A 40 1.736 -0.505 -6.445 1.00 40.11 H new ATOM 0 HE1 PHE A 40 1.343 -3.625 -10.233 1.00 55.32 H new ATOM 0 HE2 PHE A 40 2.093 -2.903 -6.102 1.00 24.45 H new ATOM 0 HZ PHE A 40 1.895 -4.466 -7.987 1.00 13.14 H new ATOM 649 N PRO A 41 2.672 3.831 -10.375 1.00 54.25 N ATOM 650 CA PRO A 41 2.504 5.303 -10.424 1.00 42.32 C ATOM 651 C PRO A 41 1.036 5.710 -10.695 1.00 41.42 C ATOM 652 O PRO A 41 0.588 6.777 -10.255 1.00 33.33 O ATOM 653 CB PRO A 41 3.454 5.732 -11.576 1.00 75.21 C ATOM 654 CG PRO A 41 3.526 4.533 -12.481 1.00 22.12 C ATOM 655 CD PRO A 41 3.437 3.324 -11.562 1.00 24.44 C ATOM 0 HA PRO A 41 2.744 5.789 -9.478 1.00 42.32 H new ATOM 0 HB2 PRO A 41 3.067 6.604 -12.104 1.00 75.21 H new ATOM 0 HB3 PRO A 41 4.440 6.001 -11.196 1.00 75.21 H new ATOM 0 HG2 PRO A 41 2.710 4.537 -13.204 1.00 22.12 H new ATOM 0 HG3 PRO A 41 4.456 4.526 -13.050 1.00 22.12 H new ATOM 0 HD2 PRO A 41 2.923 2.493 -12.044 1.00 24.44 H new ATOM 0 HD3 PRO A 41 4.426 2.965 -11.277 1.00 24.44 H new ATOM 663 N THR A 42 0.293 4.836 -11.409 1.00 22.31 N ATOM 664 CA THR A 42 -1.097 5.092 -11.821 1.00 4.23 C ATOM 665 C THR A 42 -2.008 3.915 -11.379 1.00 55.33 C ATOM 666 O THR A 42 -1.552 2.761 -11.346 1.00 23.13 O ATOM 667 CB THR A 42 -1.204 5.278 -13.379 1.00 42.40 C ATOM 668 OG1 THR A 42 -0.753 4.092 -14.049 1.00 15.42 O ATOM 669 CG2 THR A 42 -0.391 6.484 -13.890 1.00 34.11 C ATOM 0 H THR A 42 0.646 3.930 -11.715 1.00 22.31 H new ATOM 0 HA THR A 42 -1.425 6.013 -11.339 1.00 4.23 H new ATOM 0 HB THR A 42 -2.255 5.466 -13.601 1.00 42.40 H new ATOM 0 HG1 THR A 42 -0.825 4.217 -15.018 1.00 15.42 H new ATOM 0 HG21 THR A 42 -0.501 6.565 -14.971 1.00 34.11 H new ATOM 0 HG22 THR A 42 -0.758 7.396 -13.419 1.00 34.11 H new ATOM 0 HG23 THR A 42 0.661 6.345 -13.642 1.00 34.11 H new ATOM 677 N PRO A 43 -3.306 4.189 -11.006 1.00 31.11 N ATOM 678 CA PRO A 43 -4.316 3.127 -10.732 1.00 43.34 C ATOM 679 C PRO A 43 -4.595 2.224 -11.953 1.00 52.44 C ATOM 680 O PRO A 43 -5.014 1.069 -11.789 1.00 54.34 O ATOM 681 CB PRO A 43 -5.584 3.921 -10.297 1.00 74.11 C ATOM 682 CG PRO A 43 -5.361 5.319 -10.808 1.00 5.02 C ATOM 683 CD PRO A 43 -3.867 5.546 -10.747 1.00 43.20 C ATOM 0 HA PRO A 43 -3.969 2.429 -9.970 1.00 43.34 H new ATOM 0 HB2 PRO A 43 -6.488 3.485 -10.722 1.00 74.11 H new ATOM 0 HB3 PRO A 43 -5.704 3.911 -9.214 1.00 74.11 H new ATOM 0 HG2 PRO A 43 -5.732 5.427 -11.827 1.00 5.02 H new ATOM 0 HG3 PRO A 43 -5.893 6.048 -10.197 1.00 5.02 H new ATOM 0 HD2 PRO A 43 -3.538 6.267 -11.495 1.00 43.20 H new ATOM 0 HD3 PRO A 43 -3.557 5.931 -9.775 1.00 43.20 H new ATOM 691 N ALA A 44 -4.345 2.754 -13.169 1.00 72.41 N ATOM 692 CA ALA A 44 -4.488 1.986 -14.419 1.00 73.30 C ATOM 693 C ALA A 44 -3.437 0.863 -14.483 1.00 21.41 C ATOM 694 O ALA A 44 -3.790 -0.305 -14.662 1.00 51.43 O ATOM 695 CB ALA A 44 -4.372 2.914 -15.642 1.00 22.21 C ATOM 0 H ALA A 44 -4.041 3.718 -13.309 1.00 72.41 H new ATOM 0 HA ALA A 44 -5.478 1.530 -14.433 1.00 73.30 H new ATOM 0 HB1 ALA A 44 -4.480 2.328 -16.555 1.00 22.21 H new ATOM 0 HB2 ALA A 44 -5.156 3.670 -15.601 1.00 22.21 H new ATOM 0 HB3 ALA A 44 -3.397 3.402 -15.637 1.00 22.21 H new ATOM 701 N ALA A 45 -2.156 1.233 -14.243 1.00 70.53 N ATOM 702 CA ALA A 45 -1.007 0.293 -14.250 1.00 52.33 C ATOM 703 C ALA A 45 -1.080 -0.749 -13.112 1.00 1.54 C ATOM 704 O ALA A 45 -0.420 -1.798 -13.168 1.00 21.23 O ATOM 705 CB ALA A 45 0.308 1.085 -14.161 1.00 21.00 C ATOM 0 H ALA A 45 -1.889 2.196 -14.038 1.00 70.53 H new ATOM 0 HA ALA A 45 -1.047 -0.262 -15.187 1.00 52.33 H new ATOM 0 HB1 ALA A 45 1.150 0.393 -14.166 1.00 21.00 H new ATOM 0 HB2 ALA A 45 0.386 1.758 -15.015 1.00 21.00 H new ATOM 0 HB3 ALA A 45 0.321 1.666 -13.239 1.00 21.00 H new ATOM 711 N ALA A 46 -1.905 -0.450 -12.102 1.00 22.24 N ATOM 712 CA ALA A 46 -2.112 -1.302 -10.922 1.00 63.43 C ATOM 713 C ALA A 46 -2.934 -2.589 -11.218 1.00 72.54 C ATOM 714 O ALA A 46 -3.240 -3.337 -10.289 1.00 51.13 O ATOM 715 CB ALA A 46 -2.757 -0.457 -9.817 1.00 60.40 C ATOM 0 H ALA A 46 -2.458 0.407 -12.080 1.00 22.24 H new ATOM 0 HA ALA A 46 -1.139 -1.667 -10.594 1.00 63.43 H new ATOM 0 HB1 ALA A 46 -2.918 -1.075 -8.933 1.00 60.40 H new ATOM 0 HB2 ALA A 46 -2.099 0.374 -9.564 1.00 60.40 H new ATOM 0 HB3 ALA A 46 -3.714 -0.069 -10.167 1.00 60.40 H new ATOM 721 N PHE A 47 -3.282 -2.835 -12.511 1.00 60.14 N ATOM 722 CA PHE A 47 -4.006 -4.064 -12.951 1.00 62.12 C ATOM 723 C PHE A 47 -3.248 -5.378 -12.602 1.00 41.04 C ATOM 724 O PHE A 47 -3.853 -6.458 -12.552 1.00 72.14 O ATOM 725 CB PHE A 47 -4.332 -4.009 -14.478 1.00 52.12 C ATOM 726 CG PHE A 47 -3.122 -4.042 -15.439 1.00 51.44 C ATOM 727 CD1 PHE A 47 -2.589 -5.254 -15.889 1.00 14.10 C ATOM 728 CD2 PHE A 47 -2.539 -2.866 -15.908 1.00 1.34 C ATOM 729 CE1 PHE A 47 -1.519 -5.283 -16.762 1.00 41.50 C ATOM 730 CE2 PHE A 47 -1.470 -2.897 -16.783 1.00 32.31 C ATOM 731 CZ PHE A 47 -0.960 -4.105 -17.210 1.00 42.34 C ATOM 0 H PHE A 47 -3.071 -2.192 -13.274 1.00 60.14 H new ATOM 0 HA PHE A 47 -4.940 -4.082 -12.390 1.00 62.12 H new ATOM 0 HB2 PHE A 47 -4.983 -4.849 -14.719 1.00 52.12 H new ATOM 0 HB3 PHE A 47 -4.900 -3.099 -14.674 1.00 52.12 H new ATOM 0 HD1 PHE A 47 -3.021 -6.183 -15.548 1.00 14.10 H new ATOM 0 HD2 PHE A 47 -2.930 -1.914 -15.582 1.00 1.34 H new ATOM 0 HE1 PHE A 47 -1.120 -6.230 -17.094 1.00 41.50 H new ATOM 0 HE2 PHE A 47 -1.033 -1.973 -17.133 1.00 32.31 H new ATOM 0 HZ PHE A 47 -0.124 -4.128 -17.894 1.00 42.34 H new ATOM 741 N ARG A 48 -1.924 -5.258 -12.376 1.00 41.32 N ATOM 742 CA ARG A 48 -1.041 -6.383 -12.000 1.00 22.02 C ATOM 743 C ARG A 48 -1.459 -7.016 -10.653 1.00 11.20 C ATOM 744 O ARG A 48 -1.355 -8.230 -10.468 1.00 3.11 O ATOM 745 CB ARG A 48 0.421 -5.888 -11.883 1.00 71.11 C ATOM 746 CG ARG A 48 1.002 -5.231 -13.152 1.00 5.35 C ATOM 747 CD ARG A 48 1.222 -6.216 -14.314 1.00 33.54 C ATOM 748 NE ARG A 48 1.726 -5.504 -15.502 1.00 40.23 N ATOM 749 CZ ARG A 48 2.300 -6.065 -16.572 1.00 52.34 C ATOM 750 NH1 ARG A 48 2.481 -7.378 -16.645 1.00 44.55 N ATOM 751 NH2 ARG A 48 2.706 -5.296 -17.565 1.00 13.32 N ATOM 0 H ARG A 48 -1.432 -4.368 -12.450 1.00 41.32 H new ATOM 0 HA ARG A 48 -1.128 -7.139 -12.780 1.00 22.02 H new ATOM 0 HB2 ARG A 48 0.479 -5.171 -11.064 1.00 71.11 H new ATOM 0 HB3 ARG A 48 1.052 -6.734 -11.611 1.00 71.11 H new ATOM 0 HG2 ARG A 48 0.329 -4.439 -13.481 1.00 5.35 H new ATOM 0 HG3 ARG A 48 1.952 -4.759 -12.903 1.00 5.35 H new ATOM 0 HD2 ARG A 48 1.932 -6.987 -14.016 1.00 33.54 H new ATOM 0 HD3 ARG A 48 0.286 -6.720 -14.554 1.00 33.54 H new ATOM 0 HE ARG A 48 1.628 -4.489 -15.509 1.00 40.23 H new ATOM 0 HH11 ARG A 48 2.180 -7.978 -15.877 1.00 44.55 H new ATOM 0 HH12 ARG A 48 2.921 -7.787 -17.469 1.00 44.55 H new ATOM 0 HH21 ARG A 48 2.581 -4.285 -17.511 1.00 13.32 H new ATOM 0 HH22 ARG A 48 3.145 -5.713 -18.386 1.00 13.32 H new ATOM 765 N SER A 49 -1.928 -6.167 -9.723 1.00 71.52 N ATOM 766 CA SER A 49 -2.198 -6.553 -8.328 1.00 25.02 C ATOM 767 C SER A 49 -3.541 -5.945 -7.863 1.00 12.20 C ATOM 768 O SER A 49 -3.711 -4.723 -7.949 1.00 63.15 O ATOM 769 CB SER A 49 -1.037 -6.050 -7.436 1.00 35.31 C ATOM 770 OG SER A 49 0.218 -6.558 -7.868 1.00 22.41 O ATOM 0 H SER A 49 -2.132 -5.187 -9.920 1.00 71.52 H new ATOM 0 HA SER A 49 -2.269 -7.638 -8.250 1.00 25.02 H new ATOM 0 HB2 SER A 49 -1.013 -4.960 -7.451 1.00 35.31 H new ATOM 0 HB3 SER A 49 -1.215 -6.351 -6.404 1.00 35.31 H new ATOM 0 HG SER A 49 0.927 -6.218 -7.283 1.00 22.41 H new ATOM 776 N PRO A 50 -4.518 -6.775 -7.351 1.00 62.42 N ATOM 777 CA PRO A 50 -5.830 -6.264 -6.882 1.00 43.04 C ATOM 778 C PRO A 50 -5.679 -5.289 -5.705 1.00 23.24 C ATOM 779 O PRO A 50 -6.339 -4.246 -5.677 1.00 45.24 O ATOM 780 CB PRO A 50 -6.611 -7.540 -6.462 1.00 74.02 C ATOM 781 CG PRO A 50 -5.880 -8.675 -7.111 1.00 14.00 C ATOM 782 CD PRO A 50 -4.427 -8.250 -7.194 1.00 4.25 C ATOM 0 HA PRO A 50 -6.345 -5.694 -7.656 1.00 43.04 H new ATOM 0 HB2 PRO A 50 -6.630 -7.652 -5.378 1.00 74.02 H new ATOM 0 HB3 PRO A 50 -7.648 -7.496 -6.796 1.00 74.02 H new ATOM 0 HG2 PRO A 50 -5.985 -9.590 -6.528 1.00 14.00 H new ATOM 0 HG3 PRO A 50 -6.283 -8.881 -8.103 1.00 14.00 H new ATOM 0 HD2 PRO A 50 -3.874 -8.527 -6.297 1.00 4.25 H new ATOM 0 HD3 PRO A 50 -3.918 -8.715 -8.038 1.00 4.25 H new ATOM 790 N LEU A 51 -4.742 -5.608 -4.778 1.00 33.14 N ATOM 791 CA LEU A 51 -4.526 -4.829 -3.542 1.00 41.34 C ATOM 792 C LEU A 51 -3.984 -3.429 -3.873 1.00 73.54 C ATOM 793 O LEU A 51 -4.239 -2.479 -3.133 1.00 31.33 O ATOM 794 CB LEU A 51 -3.553 -5.576 -2.580 1.00 55.14 C ATOM 795 CG LEU A 51 -3.278 -4.895 -1.191 1.00 44.11 C ATOM 796 CD1 LEU A 51 -4.584 -4.610 -0.426 1.00 71.11 C ATOM 797 CD2 LEU A 51 -2.324 -5.748 -0.335 1.00 64.30 C ATOM 0 H LEU A 51 -4.119 -6.410 -4.869 1.00 33.14 H new ATOM 0 HA LEU A 51 -5.486 -4.718 -3.039 1.00 41.34 H new ATOM 0 HB2 LEU A 51 -3.953 -6.573 -2.397 1.00 55.14 H new ATOM 0 HB3 LEU A 51 -2.599 -5.704 -3.092 1.00 55.14 H new ATOM 0 HG LEU A 51 -2.797 -3.938 -1.392 1.00 44.11 H new ATOM 0 HD11 LEU A 51 -4.351 -4.139 0.529 1.00 71.11 H new ATOM 0 HD12 LEU A 51 -5.213 -3.943 -1.016 1.00 71.11 H new ATOM 0 HD13 LEU A 51 -5.114 -5.546 -0.249 1.00 71.11 H new ATOM 0 HD21 LEU A 51 -2.151 -5.253 0.621 1.00 64.30 H new ATOM 0 HD22 LEU A 51 -2.769 -6.728 -0.161 1.00 64.30 H new ATOM 0 HD23 LEU A 51 -1.375 -5.868 -0.858 1.00 64.30 H new ATOM 809 N ALA A 52 -3.257 -3.316 -5.001 1.00 3.51 N ATOM 810 CA ALA A 52 -2.724 -2.034 -5.483 1.00 13.43 C ATOM 811 C ALA A 52 -3.874 -1.055 -5.770 1.00 53.13 C ATOM 812 O ALA A 52 -3.888 0.059 -5.244 1.00 32.42 O ATOM 813 CB ALA A 52 -1.863 -2.261 -6.731 1.00 2.44 C ATOM 0 H ALA A 52 -3.025 -4.109 -5.599 1.00 3.51 H new ATOM 0 HA ALA A 52 -2.094 -1.594 -4.711 1.00 13.43 H new ATOM 0 HB1 ALA A 52 -1.472 -1.306 -7.082 1.00 2.44 H new ATOM 0 HB2 ALA A 52 -1.034 -2.924 -6.485 1.00 2.44 H new ATOM 0 HB3 ALA A 52 -2.470 -2.714 -7.515 1.00 2.44 H new ATOM 819 N ARG A 53 -4.867 -1.525 -6.565 1.00 20.12 N ATOM 820 CA ARG A 53 -6.076 -0.742 -6.915 1.00 43.10 C ATOM 821 C ARG A 53 -6.983 -0.505 -5.685 1.00 64.34 C ATOM 822 O ARG A 53 -7.700 0.501 -5.627 1.00 74.34 O ATOM 823 CB ARG A 53 -6.887 -1.435 -8.057 1.00 22.23 C ATOM 824 CG ARG A 53 -6.242 -1.312 -9.454 1.00 75.34 C ATOM 825 CD ARG A 53 -7.097 -1.904 -10.589 1.00 4.53 C ATOM 826 NE ARG A 53 -6.581 -1.501 -11.912 1.00 20.40 N ATOM 827 CZ ARG A 53 -7.100 -1.850 -13.098 1.00 0.44 C ATOM 828 NH1 ARG A 53 -8.169 -2.648 -13.178 1.00 12.52 N ATOM 829 NH2 ARG A 53 -6.557 -1.384 -14.212 1.00 42.45 N ATOM 0 H ARG A 53 -4.851 -2.456 -6.981 1.00 20.12 H new ATOM 0 HA ARG A 53 -5.732 0.229 -7.272 1.00 43.10 H new ATOM 0 HB2 ARG A 53 -7.004 -2.491 -7.815 1.00 22.23 H new ATOM 0 HB3 ARG A 53 -7.887 -1.003 -8.091 1.00 22.23 H new ATOM 0 HG2 ARG A 53 -6.054 -0.259 -9.665 1.00 75.34 H new ATOM 0 HG3 ARG A 53 -5.274 -1.813 -9.442 1.00 75.34 H new ATOM 0 HD2 ARG A 53 -7.103 -2.991 -10.514 1.00 4.53 H new ATOM 0 HD3 ARG A 53 -8.129 -1.571 -10.482 1.00 4.53 H new ATOM 0 HE ARG A 53 -5.755 -0.903 -11.925 1.00 20.40 H new ATOM 0 HH11 ARG A 53 -8.605 -3.003 -12.327 1.00 12.52 H new ATOM 0 HH12 ARG A 53 -8.549 -2.902 -14.090 1.00 12.52 H new ATOM 0 HH21 ARG A 53 -5.749 -0.764 -14.165 1.00 42.45 H new ATOM 0 HH22 ARG A 53 -6.947 -1.646 -15.118 1.00 42.45 H new ATOM 843 N GLN A 54 -6.945 -1.441 -4.720 1.00 1.14 N ATOM 844 CA GLN A 54 -7.719 -1.342 -3.466 1.00 10.51 C ATOM 845 C GLN A 54 -7.126 -0.253 -2.534 1.00 71.02 C ATOM 846 O GLN A 54 -7.848 0.365 -1.745 1.00 73.51 O ATOM 847 CB GLN A 54 -7.773 -2.725 -2.763 1.00 71.04 C ATOM 848 CG GLN A 54 -8.567 -3.810 -3.520 1.00 62.12 C ATOM 849 CD GLN A 54 -8.502 -5.195 -2.859 1.00 13.13 C ATOM 850 OE1 GLN A 54 -8.386 -5.318 -1.636 1.00 32.24 O ATOM 851 NE2 GLN A 54 -8.578 -6.251 -3.662 1.00 1.43 N ATOM 0 H GLN A 54 -6.378 -2.287 -4.786 1.00 1.14 H new ATOM 0 HA GLN A 54 -8.739 -1.042 -3.706 1.00 10.51 H new ATOM 0 HB2 GLN A 54 -6.753 -3.080 -2.614 1.00 71.04 H new ATOM 0 HB3 GLN A 54 -8.214 -2.596 -1.774 1.00 71.04 H new ATOM 0 HG2 GLN A 54 -9.610 -3.500 -3.593 1.00 62.12 H new ATOM 0 HG3 GLN A 54 -8.184 -3.884 -4.538 1.00 62.12 H new ATOM 0 HE21 GLN A 54 -8.674 -6.120 -4.669 1.00 1.43 H new ATOM 0 HE22 GLN A 54 -8.541 -7.192 -3.271 1.00 1.43 H new ATOM 860 N LEU A 55 -5.801 -0.056 -2.623 1.00 22.45 N ATOM 861 CA LEU A 55 -5.095 1.054 -1.943 1.00 4.13 C ATOM 862 C LEU A 55 -5.248 2.373 -2.741 1.00 41.42 C ATOM 863 O LEU A 55 -5.175 3.461 -2.165 1.00 63.44 O ATOM 864 CB LEU A 55 -3.604 0.678 -1.714 1.00 72.11 C ATOM 865 CG LEU A 55 -3.362 -0.529 -0.745 1.00 62.33 C ATOM 866 CD1 LEU A 55 -1.883 -0.949 -0.712 1.00 4.23 C ATOM 867 CD2 LEU A 55 -3.885 -0.224 0.676 1.00 35.33 C ATOM 0 H LEU A 55 -5.184 -0.659 -3.167 1.00 22.45 H new ATOM 0 HA LEU A 55 -5.548 1.219 -0.966 1.00 4.13 H new ATOM 0 HB2 LEU A 55 -3.152 0.445 -2.678 1.00 72.11 H new ATOM 0 HB3 LEU A 55 -3.082 1.550 -1.320 1.00 72.11 H new ATOM 0 HG LEU A 55 -3.931 -1.372 -1.137 1.00 62.33 H new ATOM 0 HD11 LEU A 55 -1.758 -1.789 -0.028 1.00 4.23 H new ATOM 0 HD12 LEU A 55 -1.567 -1.245 -1.712 1.00 4.23 H new ATOM 0 HD13 LEU A 55 -1.274 -0.111 -0.372 1.00 4.23 H new ATOM 0 HD21 LEU A 55 -3.702 -1.082 1.323 1.00 35.33 H new ATOM 0 HD22 LEU A 55 -3.368 0.649 1.075 1.00 35.33 H new ATOM 0 HD23 LEU A 55 -4.956 -0.023 0.634 1.00 35.33 H new ATOM 879 N PHE A 56 -5.468 2.260 -4.072 1.00 25.52 N ATOM 880 CA PHE A 56 -5.837 3.410 -4.939 1.00 53.03 C ATOM 881 C PHE A 56 -7.322 3.802 -4.769 1.00 42.23 C ATOM 882 O PHE A 56 -7.757 4.826 -5.309 1.00 60.24 O ATOM 883 CB PHE A 56 -5.535 3.120 -6.441 1.00 41.54 C ATOM 884 CG PHE A 56 -4.077 3.321 -6.855 1.00 33.30 C ATOM 885 CD1 PHE A 56 -3.522 4.600 -6.873 1.00 1.00 C ATOM 886 CD2 PHE A 56 -3.276 2.254 -7.254 1.00 15.41 C ATOM 887 CE1 PHE A 56 -2.220 4.798 -7.273 1.00 65.33 C ATOM 888 CE2 PHE A 56 -1.972 2.456 -7.648 1.00 51.24 C ATOM 889 CZ PHE A 56 -1.444 3.728 -7.658 1.00 4.20 C ATOM 0 H PHE A 56 -5.396 1.376 -4.575 1.00 25.52 H new ATOM 0 HA PHE A 56 -5.220 4.249 -4.618 1.00 53.03 H new ATOM 0 HB2 PHE A 56 -5.822 2.092 -6.662 1.00 41.54 H new ATOM 0 HB3 PHE A 56 -6.164 3.765 -7.054 1.00 41.54 H new ATOM 0 HD1 PHE A 56 -4.121 5.446 -6.569 1.00 1.00 H new ATOM 0 HD2 PHE A 56 -3.683 1.254 -7.254 1.00 15.41 H new ATOM 0 HE1 PHE A 56 -1.806 5.795 -7.285 1.00 65.33 H new ATOM 0 HE2 PHE A 56 -1.363 1.616 -7.949 1.00 51.24 H new ATOM 0 HZ PHE A 56 -0.422 3.886 -7.968 1.00 4.20 H new ATOM 899 N ARG A 57 -8.107 2.977 -4.037 1.00 32.45 N ATOM 900 CA ARG A 57 -9.482 3.348 -3.631 1.00 22.24 C ATOM 901 C ARG A 57 -9.458 4.524 -2.635 1.00 42.25 C ATOM 902 O ARG A 57 -10.454 5.246 -2.496 1.00 61.43 O ATOM 903 CB ARG A 57 -10.241 2.160 -2.990 1.00 1.31 C ATOM 904 CG ARG A 57 -10.612 1.017 -3.955 1.00 42.01 C ATOM 905 CD ARG A 57 -11.430 -0.084 -3.255 1.00 41.04 C ATOM 906 NE ARG A 57 -12.641 0.479 -2.617 1.00 11.15 N ATOM 907 CZ ARG A 57 -13.216 0.039 -1.485 1.00 33.41 C ATOM 908 NH1 ARG A 57 -12.721 -1.001 -0.818 1.00 71.14 N ATOM 909 NH2 ARG A 57 -14.274 0.671 -1.003 1.00 74.52 N ATOM 0 H ARG A 57 -7.813 2.054 -3.717 1.00 32.45 H new ATOM 0 HA ARG A 57 -10.007 3.642 -4.540 1.00 22.24 H new ATOM 0 HB2 ARG A 57 -9.629 1.750 -2.186 1.00 1.31 H new ATOM 0 HB3 ARG A 57 -11.155 2.539 -2.533 1.00 1.31 H new ATOM 0 HG2 ARG A 57 -11.185 1.419 -4.790 1.00 42.01 H new ATOM 0 HG3 ARG A 57 -9.702 0.584 -4.371 1.00 42.01 H new ATOM 0 HD2 ARG A 57 -11.717 -0.845 -3.980 1.00 41.04 H new ATOM 0 HD3 ARG A 57 -10.814 -0.577 -2.503 1.00 41.04 H new ATOM 0 HE ARG A 57 -13.080 1.275 -3.080 1.00 11.15 H new ATOM 0 HH11 ARG A 57 -11.890 -1.480 -1.164 1.00 71.14 H new ATOM 0 HH12 ARG A 57 -13.173 -1.319 0.039 1.00 71.14 H new ATOM 0 HH21 ARG A 57 -14.647 1.486 -1.490 1.00 74.52 H new ATOM 0 HH22 ARG A 57 -14.716 0.343 -0.144 1.00 74.52 H new ATOM 923 N ILE A 58 -8.309 4.707 -1.964 1.00 35.33 N ATOM 924 CA ILE A 58 -8.116 5.751 -0.955 1.00 2.54 C ATOM 925 C ILE A 58 -7.751 7.045 -1.694 1.00 41.22 C ATOM 926 O ILE A 58 -6.742 7.094 -2.408 1.00 13.34 O ATOM 927 CB ILE A 58 -6.977 5.323 0.045 1.00 12.32 C ATOM 928 CG1 ILE A 58 -7.300 3.916 0.655 1.00 1.44 C ATOM 929 CG2 ILE A 58 -6.744 6.386 1.155 1.00 1.13 C ATOM 930 CD1 ILE A 58 -6.160 3.262 1.412 1.00 42.13 C ATOM 0 H ILE A 58 -7.483 4.127 -2.111 1.00 35.33 H new ATOM 0 HA ILE A 58 -9.022 5.905 -0.370 1.00 2.54 H new ATOM 0 HB ILE A 58 -6.045 5.254 -0.515 1.00 12.32 H new ATOM 0 HG12 ILE A 58 -8.151 4.017 1.328 1.00 1.44 H new ATOM 0 HG13 ILE A 58 -7.608 3.250 -0.151 1.00 1.44 H new ATOM 0 HG21 ILE A 58 -5.950 6.048 1.821 1.00 1.13 H new ATOM 0 HG22 ILE A 58 -6.456 7.333 0.698 1.00 1.13 H new ATOM 0 HG23 ILE A 58 -7.662 6.523 1.726 1.00 1.13 H new ATOM 0 HD11 ILE A 58 -6.485 2.294 1.794 1.00 42.13 H new ATOM 0 HD12 ILE A 58 -5.312 3.122 0.742 1.00 42.13 H new ATOM 0 HD13 ILE A 58 -5.863 3.900 2.245 1.00 42.13 H new ATOM 942 N GLU A 59 -8.587 8.082 -1.527 1.00 70.32 N ATOM 943 CA GLU A 59 -8.463 9.362 -2.259 1.00 24.51 C ATOM 944 C GLU A 59 -7.375 10.274 -1.658 1.00 31.34 C ATOM 945 O GLU A 59 -7.207 11.420 -2.084 1.00 43.34 O ATOM 946 CB GLU A 59 -9.845 10.064 -2.288 1.00 10.30 C ATOM 947 CG GLU A 59 -10.939 9.246 -3.003 1.00 45.02 C ATOM 948 CD GLU A 59 -12.330 9.893 -2.921 1.00 14.41 C ATOM 949 OE1 GLU A 59 -12.639 10.780 -3.744 1.00 61.24 O ATOM 950 OE2 GLU A 59 -13.127 9.518 -2.034 1.00 64.24 O ATOM 0 H GLU A 59 -9.374 8.060 -0.878 1.00 70.32 H new ATOM 0 HA GLU A 59 -8.145 9.151 -3.280 1.00 24.51 H new ATOM 0 HB2 GLU A 59 -10.163 10.264 -1.265 1.00 10.30 H new ATOM 0 HB3 GLU A 59 -9.742 11.029 -2.784 1.00 10.30 H new ATOM 0 HG2 GLU A 59 -10.664 9.122 -4.051 1.00 45.02 H new ATOM 0 HG3 GLU A 59 -10.983 8.249 -2.565 1.00 45.02 H new ATOM 957 N GLY A 60 -6.656 9.745 -0.663 1.00 72.00 N ATOM 958 CA GLY A 60 -5.480 10.396 -0.096 1.00 12.25 C ATOM 959 C GLY A 60 -4.178 9.849 -0.674 1.00 34.12 C ATOM 960 O GLY A 60 -3.114 10.411 -0.432 1.00 14.35 O ATOM 0 H GLY A 60 -6.878 8.849 -0.229 1.00 72.00 H new ATOM 0 HA2 GLY A 60 -5.536 11.468 -0.284 1.00 12.25 H new ATOM 0 HA3 GLY A 60 -5.479 10.261 0.986 1.00 12.25 H new ATOM 964 N VAL A 61 -4.270 8.744 -1.439 1.00 44.41 N ATOM 965 CA VAL A 61 -3.102 8.045 -2.009 1.00 73.01 C ATOM 966 C VAL A 61 -2.795 8.563 -3.430 1.00 21.24 C ATOM 967 O VAL A 61 -3.670 8.594 -4.296 1.00 52.21 O ATOM 968 CB VAL A 61 -3.326 6.481 -2.020 1.00 11.42 C ATOM 969 CG1 VAL A 61 -2.212 5.725 -2.790 1.00 75.35 C ATOM 970 CG2 VAL A 61 -3.442 5.942 -0.572 1.00 33.24 C ATOM 0 H VAL A 61 -5.161 8.309 -1.680 1.00 44.41 H new ATOM 0 HA VAL A 61 -2.241 8.257 -1.374 1.00 73.01 H new ATOM 0 HB VAL A 61 -4.261 6.297 -2.550 1.00 11.42 H new ATOM 0 HG11 VAL A 61 -2.415 4.654 -2.766 1.00 75.35 H new ATOM 0 HG12 VAL A 61 -2.189 6.067 -3.825 1.00 75.35 H new ATOM 0 HG13 VAL A 61 -1.248 5.922 -2.321 1.00 75.35 H new ATOM 0 HG21 VAL A 61 -3.596 4.863 -0.597 1.00 33.24 H new ATOM 0 HG22 VAL A 61 -2.525 6.165 -0.026 1.00 33.24 H new ATOM 0 HG23 VAL A 61 -4.286 6.418 -0.073 1.00 33.24 H new ATOM 980 N LYS A 62 -1.536 8.987 -3.625 1.00 51.30 N ATOM 981 CA LYS A 62 -0.987 9.407 -4.924 1.00 71.01 C ATOM 982 C LYS A 62 -0.621 8.172 -5.763 1.00 42.43 C ATOM 983 O LYS A 62 -1.067 8.018 -6.906 1.00 64.03 O ATOM 984 CB LYS A 62 0.278 10.282 -4.685 1.00 42.13 C ATOM 985 CG LYS A 62 0.909 10.924 -5.944 1.00 61.33 C ATOM 986 CD LYS A 62 -0.054 11.878 -6.689 1.00 51.24 C ATOM 987 CE LYS A 62 0.617 12.590 -7.882 1.00 15.33 C ATOM 988 NZ LYS A 62 1.240 11.638 -8.847 1.00 22.53 N ATOM 0 H LYS A 62 -0.856 9.049 -2.867 1.00 51.30 H new ATOM 0 HA LYS A 62 -1.734 9.988 -5.465 1.00 71.01 H new ATOM 0 HB2 LYS A 62 0.018 11.078 -3.988 1.00 42.13 H new ATOM 0 HB3 LYS A 62 1.034 9.666 -4.198 1.00 42.13 H new ATOM 0 HG2 LYS A 62 1.803 11.475 -5.653 1.00 61.33 H new ATOM 0 HG3 LYS A 62 1.228 10.135 -6.625 1.00 61.33 H new ATOM 0 HD2 LYS A 62 -0.915 11.313 -7.046 1.00 51.24 H new ATOM 0 HD3 LYS A 62 -0.431 12.625 -5.991 1.00 51.24 H new ATOM 0 HE2 LYS A 62 -0.126 13.194 -8.403 1.00 15.33 H new ATOM 0 HE3 LYS A 62 1.380 13.274 -7.509 1.00 15.33 H new ATOM 0 HZ1 LYS A 62 1.616 12.165 -9.661 1.00 22.53 H new ATOM 0 HZ2 LYS A 62 2.014 11.126 -8.378 1.00 22.53 H new ATOM 0 HZ3 LYS A 62 0.524 10.958 -9.175 1.00 22.53 H new ATOM 1002 N SER A 63 0.172 7.283 -5.146 1.00 55.14 N ATOM 1003 CA SER A 63 0.777 6.126 -5.814 1.00 51.33 C ATOM 1004 C SER A 63 1.109 5.050 -4.774 1.00 32.22 C ATOM 1005 O SER A 63 1.299 5.355 -3.590 1.00 43.52 O ATOM 1006 CB SER A 63 2.038 6.555 -6.598 1.00 45.12 C ATOM 1007 OG SER A 63 2.931 7.294 -5.781 1.00 74.14 O ATOM 0 H SER A 63 0.413 7.350 -4.157 1.00 55.14 H new ATOM 0 HA SER A 63 0.069 5.709 -6.530 1.00 51.33 H new ATOM 0 HB2 SER A 63 2.545 5.671 -6.986 1.00 45.12 H new ATOM 0 HB3 SER A 63 1.746 7.158 -7.458 1.00 45.12 H new ATOM 0 HG SER A 63 3.719 7.549 -6.305 1.00 74.14 H new ATOM 1013 N VAL A 64 1.161 3.788 -5.221 1.00 75.31 N ATOM 1014 CA VAL A 64 1.409 2.623 -4.346 1.00 31.31 C ATOM 1015 C VAL A 64 2.692 1.923 -4.805 1.00 62.13 C ATOM 1016 O VAL A 64 2.922 1.778 -5.999 1.00 42.52 O ATOM 1017 CB VAL A 64 0.196 1.611 -4.382 1.00 60.34 C ATOM 1018 CG1 VAL A 64 0.441 0.384 -3.471 1.00 35.24 C ATOM 1019 CG2 VAL A 64 -1.131 2.312 -4.001 1.00 22.10 C ATOM 0 H VAL A 64 1.032 3.540 -6.202 1.00 75.31 H new ATOM 0 HA VAL A 64 1.519 2.970 -3.319 1.00 31.31 H new ATOM 0 HB VAL A 64 0.114 1.252 -5.408 1.00 60.34 H new ATOM 0 HG11 VAL A 64 -0.417 -0.286 -3.525 1.00 35.24 H new ATOM 0 HG12 VAL A 64 1.335 -0.143 -3.804 1.00 35.24 H new ATOM 0 HG13 VAL A 64 0.577 0.716 -2.442 1.00 35.24 H new ATOM 0 HG21 VAL A 64 -1.947 1.590 -4.035 1.00 22.10 H new ATOM 0 HG22 VAL A 64 -1.050 2.721 -2.994 1.00 22.10 H new ATOM 0 HG23 VAL A 64 -1.331 3.119 -4.706 1.00 22.10 H new ATOM 1029 N PHE A 65 3.525 1.506 -3.843 1.00 51.04 N ATOM 1030 CA PHE A 65 4.739 0.716 -4.100 1.00 2.05 C ATOM 1031 C PHE A 65 4.690 -0.548 -3.234 1.00 2.55 C ATOM 1032 O PHE A 65 4.555 -0.466 -2.015 1.00 13.52 O ATOM 1033 CB PHE A 65 6.022 1.552 -3.797 1.00 40.24 C ATOM 1034 CG PHE A 65 7.339 0.763 -3.891 1.00 73.41 C ATOM 1035 CD1 PHE A 65 7.788 0.269 -5.116 1.00 33.32 C ATOM 1036 CD2 PHE A 65 8.123 0.515 -2.758 1.00 33.34 C ATOM 1037 CE1 PHE A 65 8.962 -0.453 -5.206 1.00 74.32 C ATOM 1038 CE2 PHE A 65 9.296 -0.209 -2.850 1.00 53.41 C ATOM 1039 CZ PHE A 65 9.719 -0.688 -4.075 1.00 25.31 C ATOM 0 H PHE A 65 3.375 1.709 -2.855 1.00 51.04 H new ATOM 0 HA PHE A 65 4.779 0.436 -5.153 1.00 2.05 H new ATOM 0 HB2 PHE A 65 6.066 2.390 -4.492 1.00 40.24 H new ATOM 0 HB3 PHE A 65 5.937 1.973 -2.795 1.00 40.24 H new ATOM 0 HD1 PHE A 65 7.208 0.454 -6.008 1.00 33.32 H new ATOM 0 HD2 PHE A 65 7.806 0.895 -1.798 1.00 33.34 H new ATOM 0 HE1 PHE A 65 9.289 -0.834 -6.162 1.00 74.32 H new ATOM 0 HE2 PHE A 65 9.883 -0.401 -1.964 1.00 53.41 H new ATOM 0 HZ PHE A 65 10.641 -1.246 -4.148 1.00 25.31 H new ATOM 1049 N PHE A 66 4.759 -1.711 -3.884 1.00 70.15 N ATOM 1050 CA PHE A 66 4.941 -2.998 -3.207 1.00 32.25 C ATOM 1051 C PHE A 66 6.446 -3.319 -3.193 1.00 62.35 C ATOM 1052 O PHE A 66 7.079 -3.442 -4.250 1.00 45.30 O ATOM 1053 CB PHE A 66 4.152 -4.123 -3.925 1.00 61.33 C ATOM 1054 CG PHE A 66 2.618 -4.108 -3.814 1.00 74.42 C ATOM 1055 CD1 PHE A 66 1.918 -3.117 -3.122 1.00 13.42 C ATOM 1056 CD2 PHE A 66 1.872 -5.128 -4.412 1.00 31.33 C ATOM 1057 CE1 PHE A 66 0.536 -3.148 -3.037 1.00 44.45 C ATOM 1058 CE2 PHE A 66 0.492 -5.153 -4.320 1.00 1.42 C ATOM 1059 CZ PHE A 66 -0.171 -4.164 -3.632 1.00 44.15 C ATOM 0 H PHE A 66 4.690 -1.788 -4.899 1.00 70.15 H new ATOM 0 HA PHE A 66 4.558 -2.936 -2.189 1.00 32.25 H new ATOM 0 HB2 PHE A 66 4.411 -4.091 -4.983 1.00 61.33 H new ATOM 0 HB3 PHE A 66 4.506 -5.079 -3.539 1.00 61.33 H new ATOM 0 HD1 PHE A 66 2.462 -2.315 -2.646 1.00 13.42 H new ATOM 0 HD2 PHE A 66 2.382 -5.910 -4.955 1.00 31.33 H new ATOM 0 HE1 PHE A 66 0.012 -2.370 -2.501 1.00 44.45 H new ATOM 0 HE2 PHE A 66 -0.065 -5.950 -4.789 1.00 1.42 H new ATOM 0 HZ PHE A 66 -1.248 -4.186 -3.560 1.00 44.15 H new ATOM 1069 N GLY A 67 6.997 -3.435 -1.984 1.00 63.52 N ATOM 1070 CA GLY A 67 8.426 -3.669 -1.761 1.00 60.52 C ATOM 1071 C GLY A 67 8.680 -4.970 -1.009 1.00 1.12 C ATOM 1072 O GLY A 67 7.720 -5.694 -0.692 1.00 64.43 O ATOM 0 H GLY A 67 6.458 -3.368 -1.121 1.00 63.52 H new ATOM 0 HA2 GLY A 67 8.943 -3.698 -2.720 1.00 60.52 H new ATOM 0 HA3 GLY A 67 8.846 -2.836 -1.197 1.00 60.52 H new ATOM 1076 N PRO A 68 9.979 -5.331 -0.748 1.00 62.22 N ATOM 1077 CA PRO A 68 10.328 -6.529 0.044 1.00 13.55 C ATOM 1078 C PRO A 68 9.749 -6.444 1.475 1.00 52.11 C ATOM 1079 O PRO A 68 10.028 -5.489 2.210 1.00 42.42 O ATOM 1080 CB PRO A 68 11.885 -6.553 0.026 1.00 52.15 C ATOM 1081 CG PRO A 68 12.293 -5.144 -0.313 1.00 3.12 C ATOM 1082 CD PRO A 68 11.198 -4.615 -1.218 1.00 30.42 C ATOM 0 HA PRO A 68 9.907 -7.448 -0.365 1.00 13.55 H new ATOM 0 HB2 PRO A 68 12.286 -6.858 0.992 1.00 52.15 H new ATOM 0 HB3 PRO A 68 12.260 -7.261 -0.713 1.00 52.15 H new ATOM 0 HG2 PRO A 68 12.388 -4.535 0.586 1.00 3.12 H new ATOM 0 HG3 PRO A 68 13.261 -5.125 -0.814 1.00 3.12 H new ATOM 0 HD2 PRO A 68 11.089 -3.534 -1.126 1.00 30.42 H new ATOM 0 HD3 PRO A 68 11.408 -4.826 -2.267 1.00 30.42 H new ATOM 1090 N ASP A 69 8.859 -7.408 1.797 1.00 72.43 N ATOM 1091 CA ASP A 69 8.282 -7.611 3.148 1.00 35.53 C ATOM 1092 C ASP A 69 7.314 -6.493 3.585 1.00 51.35 C ATOM 1093 O ASP A 69 6.824 -6.516 4.717 1.00 63.53 O ATOM 1094 CB ASP A 69 9.397 -7.840 4.220 1.00 61.22 C ATOM 1095 CG ASP A 69 10.220 -9.118 3.964 1.00 44.21 C ATOM 1096 OD1 ASP A 69 11.040 -9.131 3.016 1.00 13.11 O ATOM 1097 OD2 ASP A 69 10.066 -10.107 4.709 1.00 34.20 O ATOM 0 H ASP A 69 8.513 -8.081 1.113 1.00 72.43 H new ATOM 0 HA ASP A 69 7.681 -8.517 3.075 1.00 35.53 H new ATOM 0 HB2 ASP A 69 10.066 -6.979 4.231 1.00 61.22 H new ATOM 0 HB3 ASP A 69 8.938 -7.901 5.207 1.00 61.22 H new ATOM 1102 N SER A 70 6.987 -5.557 2.673 1.00 23.35 N ATOM 1103 CA SER A 70 6.223 -4.350 3.026 1.00 62.13 C ATOM 1104 C SER A 70 5.581 -3.699 1.797 1.00 14.50 C ATOM 1105 O SER A 70 5.895 -4.035 0.662 1.00 23.33 O ATOM 1106 CB SER A 70 7.156 -3.343 3.727 1.00 23.04 C ATOM 1107 OG SER A 70 8.274 -3.041 2.915 1.00 1.23 O ATOM 0 H SER A 70 7.241 -5.616 1.687 1.00 23.35 H new ATOM 0 HA SER A 70 5.417 -4.645 3.698 1.00 62.13 H new ATOM 0 HB2 SER A 70 6.607 -2.428 3.952 1.00 23.04 H new ATOM 0 HB3 SER A 70 7.493 -3.755 4.678 1.00 23.04 H new ATOM 0 HG SER A 70 8.823 -3.845 2.802 1.00 1.23 H new ATOM 1113 N ILE A 71 4.679 -2.752 2.061 1.00 51.24 N ATOM 1114 CA ILE A 71 4.008 -1.930 1.055 1.00 3.30 C ATOM 1115 C ILE A 71 4.228 -0.466 1.442 1.00 75.35 C ATOM 1116 O ILE A 71 3.670 0.001 2.441 1.00 53.24 O ATOM 1117 CB ILE A 71 2.466 -2.248 0.994 1.00 44.23 C ATOM 1118 CG1 ILE A 71 2.229 -3.746 0.613 1.00 11.13 C ATOM 1119 CG2 ILE A 71 1.732 -1.293 0.018 1.00 34.12 C ATOM 1120 CD1 ILE A 71 0.782 -4.204 0.682 1.00 21.35 C ATOM 0 H ILE A 71 4.387 -2.530 3.013 1.00 51.24 H new ATOM 0 HA ILE A 71 4.419 -2.141 0.068 1.00 3.30 H new ATOM 0 HB ILE A 71 2.046 -2.081 1.986 1.00 44.23 H new ATOM 0 HG12 ILE A 71 2.599 -3.911 -0.399 1.00 11.13 H new ATOM 0 HG13 ILE A 71 2.825 -4.373 1.276 1.00 11.13 H new ATOM 0 HG21 ILE A 71 0.670 -1.538 -0.001 1.00 34.12 H new ATOM 0 HG22 ILE A 71 1.860 -0.263 0.351 1.00 34.12 H new ATOM 0 HG23 ILE A 71 2.149 -1.405 -0.983 1.00 34.12 H new ATOM 0 HD11 ILE A 71 0.719 -5.255 0.401 1.00 21.35 H new ATOM 0 HD12 ILE A 71 0.408 -4.077 1.698 1.00 21.35 H new ATOM 0 HD13 ILE A 71 0.179 -3.608 -0.003 1.00 21.35 H new ATOM 1132 N THR A 72 5.045 0.256 0.672 1.00 63.40 N ATOM 1133 CA THR A 72 5.303 1.671 0.910 1.00 20.30 C ATOM 1134 C THR A 72 4.293 2.480 0.085 1.00 71.32 C ATOM 1135 O THR A 72 4.346 2.491 -1.147 1.00 52.42 O ATOM 1136 CB THR A 72 6.771 2.045 0.519 1.00 12.21 C ATOM 1137 OG1 THR A 72 7.683 1.166 1.211 1.00 45.52 O ATOM 1138 CG2 THR A 72 7.109 3.518 0.853 1.00 54.41 C ATOM 0 H THR A 72 5.544 -0.126 -0.132 1.00 63.40 H new ATOM 0 HA THR A 72 5.188 1.899 1.970 1.00 20.30 H new ATOM 0 HB THR A 72 6.872 1.927 -0.560 1.00 12.21 H new ATOM 0 HG1 THR A 72 8.605 1.394 0.969 1.00 45.52 H new ATOM 0 HG21 THR A 72 8.138 3.730 0.563 1.00 54.41 H new ATOM 0 HG22 THR A 72 6.435 4.179 0.307 1.00 54.41 H new ATOM 0 HG23 THR A 72 6.992 3.684 1.924 1.00 54.41 H new ATOM 1146 N VAL A 73 3.357 3.132 0.777 1.00 12.40 N ATOM 1147 CA VAL A 73 2.272 3.891 0.150 1.00 24.03 C ATOM 1148 C VAL A 73 2.703 5.365 0.110 1.00 43.31 C ATOM 1149 O VAL A 73 3.355 5.838 1.042 1.00 45.45 O ATOM 1150 CB VAL A 73 0.923 3.731 0.954 1.00 31.34 C ATOM 1151 CG1 VAL A 73 -0.232 4.526 0.303 1.00 71.32 C ATOM 1152 CG2 VAL A 73 0.533 2.238 1.110 1.00 35.53 C ATOM 0 H VAL A 73 3.330 3.149 1.797 1.00 12.40 H new ATOM 0 HA VAL A 73 2.088 3.515 -0.857 1.00 24.03 H new ATOM 0 HB VAL A 73 1.095 4.146 1.947 1.00 31.34 H new ATOM 0 HG11 VAL A 73 -1.142 4.389 0.887 1.00 71.32 H new ATOM 0 HG12 VAL A 73 0.026 5.585 0.275 1.00 71.32 H new ATOM 0 HG13 VAL A 73 -0.395 4.165 -0.713 1.00 71.32 H new ATOM 0 HG21 VAL A 73 -0.400 2.162 1.668 1.00 35.53 H new ATOM 0 HG22 VAL A 73 0.404 1.791 0.124 1.00 35.53 H new ATOM 0 HG23 VAL A 73 1.321 1.710 1.647 1.00 35.53 H new ATOM 1162 N THR A 74 2.364 6.072 -0.966 1.00 14.13 N ATOM 1163 CA THR A 74 2.647 7.508 -1.109 1.00 70.13 C ATOM 1164 C THR A 74 1.319 8.277 -1.111 1.00 51.34 C ATOM 1165 O THR A 74 0.405 7.917 -1.850 1.00 52.43 O ATOM 1166 CB THR A 74 3.440 7.780 -2.426 1.00 42.20 C ATOM 1167 OG1 THR A 74 4.609 6.944 -2.451 1.00 30.31 O ATOM 1168 CG2 THR A 74 3.863 9.263 -2.572 1.00 11.42 C ATOM 0 H THR A 74 1.883 5.668 -1.770 1.00 14.13 H new ATOM 0 HA THR A 74 3.261 7.844 -0.274 1.00 70.13 H new ATOM 0 HB THR A 74 2.779 7.550 -3.262 1.00 42.20 H new ATOM 0 HG1 THR A 74 5.262 7.276 -1.800 1.00 30.31 H new ATOM 0 HG21 THR A 74 4.411 9.395 -3.505 1.00 11.42 H new ATOM 0 HG22 THR A 74 2.975 9.895 -2.580 1.00 11.42 H new ATOM 0 HG23 THR A 74 4.501 9.544 -1.734 1.00 11.42 H new ATOM 1176 N LYS A 75 1.219 9.312 -0.264 1.00 22.14 N ATOM 1177 CA LYS A 75 0.043 10.201 -0.209 1.00 13.33 C ATOM 1178 C LYS A 75 0.233 11.366 -1.195 1.00 43.13 C ATOM 1179 O LYS A 75 1.365 11.647 -1.622 1.00 41.32 O ATOM 1180 CB LYS A 75 -0.188 10.726 1.238 1.00 1.42 C ATOM 1181 CG LYS A 75 0.959 11.592 1.797 1.00 30.43 C ATOM 1182 CD LYS A 75 0.702 12.065 3.240 1.00 43.30 C ATOM 1183 CE LYS A 75 1.806 12.997 3.764 1.00 34.33 C ATOM 1184 NZ LYS A 75 3.124 12.335 3.835 1.00 64.03 N ATOM 0 H LYS A 75 1.950 9.559 0.403 1.00 22.14 H new ATOM 0 HA LYS A 75 -0.843 9.636 -0.497 1.00 13.33 H new ATOM 0 HB2 LYS A 75 -1.108 11.310 1.256 1.00 1.42 H new ATOM 0 HB3 LYS A 75 -0.338 9.873 1.900 1.00 1.42 H new ATOM 0 HG2 LYS A 75 1.887 11.021 1.767 1.00 30.43 H new ATOM 0 HG3 LYS A 75 1.098 12.461 1.154 1.00 30.43 H new ATOM 0 HD2 LYS A 75 -0.256 12.583 3.283 1.00 43.30 H new ATOM 0 HD3 LYS A 75 0.624 11.197 3.894 1.00 43.30 H new ATOM 0 HE2 LYS A 75 1.877 13.870 3.115 1.00 34.33 H new ATOM 0 HE3 LYS A 75 1.531 13.358 4.755 1.00 34.33 H new ATOM 0 HZ1 LYS A 75 3.859 13.045 4.030 1.00 64.03 H new ATOM 0 HZ2 LYS A 75 3.116 11.627 4.596 1.00 64.03 H new ATOM 0 HZ3 LYS A 75 3.327 11.867 2.929 1.00 64.03 H new ATOM 1198 N GLU A 76 -0.882 12.034 -1.553 1.00 42.32 N ATOM 1199 CA GLU A 76 -0.886 13.101 -2.572 1.00 34.41 C ATOM 1200 C GLU A 76 -0.108 14.332 -2.101 1.00 53.25 C ATOM 1201 O GLU A 76 0.941 14.664 -2.655 1.00 13.40 O ATOM 1202 CB GLU A 76 -2.335 13.496 -2.947 1.00 63.34 C ATOM 1203 CG GLU A 76 -3.227 12.319 -3.397 1.00 72.31 C ATOM 1204 CD GLU A 76 -4.616 12.743 -3.903 1.00 3.24 C ATOM 1205 OE1 GLU A 76 -5.192 13.710 -3.364 1.00 54.14 O ATOM 1206 OE2 GLU A 76 -5.139 12.111 -4.843 1.00 63.04 O ATOM 0 H GLU A 76 -1.799 11.850 -1.146 1.00 42.32 H new ATOM 0 HA GLU A 76 -0.388 12.707 -3.458 1.00 34.41 H new ATOM 0 HB2 GLU A 76 -2.800 13.979 -2.087 1.00 63.34 H new ATOM 0 HB3 GLU A 76 -2.300 14.235 -3.747 1.00 63.34 H new ATOM 0 HG2 GLU A 76 -2.715 11.771 -4.188 1.00 72.31 H new ATOM 0 HG3 GLU A 76 -3.351 11.631 -2.561 1.00 72.31 H new ATOM 1213 N ASN A 77 -0.611 14.965 -1.038 1.00 62.34 N ATOM 1214 CA ASN A 77 -0.068 16.225 -0.513 1.00 20.33 C ATOM 1215 C ASN A 77 0.353 16.048 0.954 1.00 43.44 C ATOM 1216 O ASN A 77 -0.108 15.128 1.645 1.00 31.13 O ATOM 1217 CB ASN A 77 -1.107 17.362 -0.687 1.00 12.13 C ATOM 1218 CG ASN A 77 -2.445 17.070 -0.012 1.00 3.41 C ATOM 1219 OD1 ASN A 77 -3.341 16.470 -0.606 1.00 0.41 O ATOM 1220 ND2 ASN A 77 -2.596 17.493 1.228 1.00 20.43 N ATOM 0 H ASN A 77 -1.413 14.617 -0.512 1.00 62.34 H new ATOM 0 HA ASN A 77 0.822 16.503 -1.077 1.00 20.33 H new ATOM 0 HB2 ASN A 77 -0.696 18.285 -0.278 1.00 12.13 H new ATOM 0 HB3 ASN A 77 -1.274 17.531 -1.751 1.00 12.13 H new ATOM 0 HD21 ASN A 77 -3.473 17.326 1.721 1.00 20.43 H new ATOM 0 HD22 ASN A 77 -1.835 17.987 1.694 1.00 20.43 H new ATOM 1227 N GLU A 78 1.223 16.958 1.413 1.00 21.11 N ATOM 1228 CA GLU A 78 1.891 16.882 2.735 1.00 52.42 C ATOM 1229 C GLU A 78 0.923 17.213 3.889 1.00 11.40 C ATOM 1230 O GLU A 78 1.187 16.883 5.051 1.00 35.14 O ATOM 1231 CB GLU A 78 3.079 17.876 2.742 1.00 20.24 C ATOM 1232 CG GLU A 78 4.096 17.646 1.602 1.00 24.14 C ATOM 1233 CD GLU A 78 5.046 18.838 1.418 1.00 71.42 C ATOM 1234 OE1 GLU A 78 4.602 19.872 0.878 1.00 22.30 O ATOM 1235 OE2 GLU A 78 6.221 18.762 1.830 1.00 4.03 O ATOM 0 H GLU A 78 1.491 17.782 0.875 1.00 21.11 H new ATOM 0 HA GLU A 78 2.241 15.861 2.891 1.00 52.42 H new ATOM 0 HB2 GLU A 78 2.690 18.892 2.669 1.00 20.24 H new ATOM 0 HB3 GLU A 78 3.597 17.801 3.698 1.00 20.24 H new ATOM 0 HG2 GLU A 78 4.679 16.749 1.814 1.00 24.14 H new ATOM 0 HG3 GLU A 78 3.559 17.465 0.671 1.00 24.14 H new ATOM 1242 N GLU A 79 -0.196 17.864 3.534 1.00 64.34 N ATOM 1243 CA GLU A 79 -1.223 18.338 4.485 1.00 23.22 C ATOM 1244 C GLU A 79 -2.121 17.171 4.926 1.00 2.33 C ATOM 1245 O GLU A 79 -2.851 17.279 5.921 1.00 5.41 O ATOM 1246 CB GLU A 79 -2.081 19.476 3.848 1.00 30.22 C ATOM 1247 CG GLU A 79 -1.316 20.784 3.498 1.00 61.22 C ATOM 1248 CD GLU A 79 -0.149 20.598 2.501 1.00 72.44 C ATOM 1249 OE1 GLU A 79 -0.369 20.020 1.414 1.00 52.31 O ATOM 1250 OE2 GLU A 79 0.995 20.994 2.815 1.00 52.23 O ATOM 0 H GLU A 79 -0.419 18.081 2.563 1.00 64.34 H new ATOM 0 HA GLU A 79 -0.719 18.741 5.363 1.00 23.22 H new ATOM 0 HB2 GLU A 79 -2.542 19.092 2.938 1.00 30.22 H new ATOM 0 HB3 GLU A 79 -2.890 19.723 4.535 1.00 30.22 H new ATOM 0 HG2 GLU A 79 -2.022 21.502 3.081 1.00 61.22 H new ATOM 0 HG3 GLU A 79 -0.925 21.218 4.418 1.00 61.22 H new ATOM 1257 N LEU A 80 -2.054 16.056 4.172 1.00 61.21 N ATOM 1258 CA LEU A 80 -2.693 14.801 4.555 1.00 34.33 C ATOM 1259 C LEU A 80 -1.879 14.169 5.678 1.00 53.51 C ATOM 1260 O LEU A 80 -0.682 13.917 5.518 1.00 3.11 O ATOM 1261 CB LEU A 80 -2.757 13.819 3.364 1.00 14.50 C ATOM 1262 CG LEU A 80 -3.589 14.288 2.141 1.00 61.21 C ATOM 1263 CD1 LEU A 80 -3.380 13.347 0.949 1.00 64.41 C ATOM 1264 CD2 LEU A 80 -5.089 14.422 2.490 1.00 41.45 C ATOM 0 H LEU A 80 -1.554 16.010 3.284 1.00 61.21 H new ATOM 0 HA LEU A 80 -3.712 15.010 4.880 1.00 34.33 H new ATOM 0 HB2 LEU A 80 -1.739 13.617 3.030 1.00 14.50 H new ATOM 0 HB3 LEU A 80 -3.170 12.875 3.719 1.00 14.50 H new ATOM 0 HG LEU A 80 -3.233 15.279 1.859 1.00 61.21 H new ATOM 0 HD11 LEU A 80 -3.973 13.695 0.103 1.00 64.41 H new ATOM 0 HD12 LEU A 80 -2.325 13.337 0.674 1.00 64.41 H new ATOM 0 HD13 LEU A 80 -3.693 12.339 1.222 1.00 64.41 H new ATOM 0 HD21 LEU A 80 -5.639 14.752 1.609 1.00 41.45 H new ATOM 0 HD22 LEU A 80 -5.474 13.456 2.817 1.00 41.45 H new ATOM 0 HD23 LEU A 80 -5.213 15.152 3.290 1.00 41.45 H new ATOM 1276 N ASP A 81 -2.517 13.972 6.810 1.00 71.52 N ATOM 1277 CA ASP A 81 -1.910 13.268 7.948 1.00 33.10 C ATOM 1278 C ASP A 81 -2.028 11.751 7.723 1.00 41.04 C ATOM 1279 O ASP A 81 -3.119 11.255 7.447 1.00 62.01 O ATOM 1280 CB ASP A 81 -2.582 13.703 9.274 1.00 63.31 C ATOM 1281 CG ASP A 81 -2.111 12.881 10.481 1.00 42.23 C ATOM 1282 OD1 ASP A 81 -0.948 13.044 10.919 1.00 51.44 O ATOM 1283 OD2 ASP A 81 -2.882 12.040 10.968 1.00 34.14 O ATOM 0 H ASP A 81 -3.471 14.290 6.981 1.00 71.52 H new ATOM 0 HA ASP A 81 -0.854 13.527 8.022 1.00 33.10 H new ATOM 0 HB2 ASP A 81 -2.370 14.757 9.454 1.00 63.31 H new ATOM 0 HB3 ASP A 81 -3.663 13.607 9.176 1.00 63.31 H new ATOM 1288 N TRP A 82 -0.893 11.030 7.830 1.00 44.33 N ATOM 1289 CA TRP A 82 -0.827 9.579 7.577 1.00 1.13 C ATOM 1290 C TRP A 82 -1.756 8.766 8.496 1.00 21.24 C ATOM 1291 O TRP A 82 -2.277 7.743 8.058 1.00 52.03 O ATOM 1292 CB TRP A 82 0.639 9.053 7.673 1.00 52.43 C ATOM 1293 CG TRP A 82 1.407 9.096 6.362 1.00 23.41 C ATOM 1294 CD1 TRP A 82 2.528 9.823 6.059 1.00 64.14 C ATOM 1295 CD2 TRP A 82 1.077 8.364 5.169 1.00 34.33 C ATOM 1296 NE1 TRP A 82 2.928 9.560 4.771 1.00 54.14 N ATOM 1297 CE2 TRP A 82 2.046 8.680 4.203 1.00 21.15 C ATOM 1298 CE3 TRP A 82 0.054 7.467 4.827 1.00 71.32 C ATOM 1299 CZ2 TRP A 82 2.026 8.133 2.929 1.00 51.43 C ATOM 1300 CZ3 TRP A 82 0.039 6.929 3.560 1.00 15.42 C ATOM 1301 CH2 TRP A 82 1.015 7.267 2.625 1.00 72.20 C ATOM 0 H TRP A 82 0.003 11.439 8.094 1.00 44.33 H new ATOM 0 HA TRP A 82 -1.184 9.433 6.558 1.00 1.13 H new ATOM 0 HB2 TRP A 82 1.177 9.644 8.415 1.00 52.43 H new ATOM 0 HB3 TRP A 82 0.621 8.025 8.036 1.00 52.43 H new ATOM 0 HD1 TRP A 82 3.025 10.504 6.734 1.00 64.14 H new ATOM 0 HE1 TRP A 82 3.749 9.956 4.313 1.00 54.14 H new ATOM 0 HE3 TRP A 82 -0.708 7.203 5.545 1.00 71.32 H new ATOM 0 HZ2 TRP A 82 2.784 8.383 2.202 1.00 51.43 H new ATOM 0 HZ3 TRP A 82 -0.741 6.234 3.287 1.00 15.42 H new ATOM 0 HH2 TRP A 82 0.971 6.834 1.637 1.00 72.20 H new ATOM 1312 N ASN A 83 -1.976 9.225 9.751 1.00 61.24 N ATOM 1313 CA ASN A 83 -2.851 8.516 10.725 1.00 22.32 C ATOM 1314 C ASN A 83 -4.315 8.511 10.252 1.00 43.45 C ATOM 1315 O ASN A 83 -5.103 7.675 10.692 1.00 22.05 O ATOM 1316 CB ASN A 83 -2.752 9.111 12.149 1.00 11.32 C ATOM 1317 CG ASN A 83 -1.328 9.142 12.694 1.00 12.21 C ATOM 1318 OD1 ASN A 83 -0.859 8.173 13.295 1.00 52.34 O ATOM 1319 ND2 ASN A 83 -0.626 10.243 12.478 1.00 52.33 N ATOM 0 H ASN A 83 -1.561 10.082 10.116 1.00 61.24 H new ATOM 0 HA ASN A 83 -2.492 7.488 10.774 1.00 22.32 H new ATOM 0 HB2 ASN A 83 -3.152 10.125 12.140 1.00 11.32 H new ATOM 0 HB3 ASN A 83 -3.379 8.527 12.823 1.00 11.32 H new ATOM 0 HD21 ASN A 83 0.335 10.309 12.813 1.00 52.33 H new ATOM 0 HD22 ASN A 83 -1.046 11.026 11.977 1.00 52.33 H new ATOM 1326 N LEU A 84 -4.667 9.461 9.358 1.00 54.42 N ATOM 1327 CA LEU A 84 -6.003 9.531 8.744 1.00 2.05 C ATOM 1328 C LEU A 84 -6.137 8.427 7.681 1.00 64.11 C ATOM 1329 O LEU A 84 -7.180 7.781 7.582 1.00 53.30 O ATOM 1330 CB LEU A 84 -6.236 10.925 8.100 1.00 70.31 C ATOM 1331 CG LEU A 84 -6.149 12.157 9.055 1.00 40.23 C ATOM 1332 CD1 LEU A 84 -6.307 13.478 8.274 1.00 44.53 C ATOM 1333 CD2 LEU A 84 -7.182 12.057 10.199 1.00 31.41 C ATOM 0 H LEU A 84 -4.033 10.196 9.045 1.00 54.42 H new ATOM 0 HA LEU A 84 -6.756 9.382 9.518 1.00 2.05 H new ATOM 0 HB2 LEU A 84 -5.505 11.059 7.303 1.00 70.31 H new ATOM 0 HB3 LEU A 84 -7.221 10.925 7.633 1.00 70.31 H new ATOM 0 HG LEU A 84 -5.157 12.154 9.507 1.00 40.23 H new ATOM 0 HD11 LEU A 84 -6.242 14.319 8.965 1.00 44.53 H new ATOM 0 HD12 LEU A 84 -5.515 13.558 7.530 1.00 44.53 H new ATOM 0 HD13 LEU A 84 -7.276 13.492 7.775 1.00 44.53 H new ATOM 0 HD21 LEU A 84 -7.095 12.930 10.845 1.00 31.41 H new ATOM 0 HD22 LEU A 84 -8.187 12.015 9.779 1.00 31.41 H new ATOM 0 HD23 LEU A 84 -6.994 11.155 10.781 1.00 31.41 H new ATOM 1345 N LEU A 85 -5.059 8.225 6.893 1.00 23.44 N ATOM 1346 CA LEU A 85 -5.001 7.183 5.852 1.00 43.44 C ATOM 1347 C LEU A 85 -4.825 5.777 6.449 1.00 15.11 C ATOM 1348 O LEU A 85 -5.234 4.809 5.818 1.00 3.33 O ATOM 1349 CB LEU A 85 -3.855 7.463 4.829 1.00 43.30 C ATOM 1350 CG LEU A 85 -4.036 8.703 3.879 1.00 42.22 C ATOM 1351 CD1 LEU A 85 -3.725 10.039 4.579 1.00 20.10 C ATOM 1352 CD2 LEU A 85 -3.211 8.548 2.578 1.00 63.11 C ATOM 0 H LEU A 85 -4.206 8.781 6.963 1.00 23.44 H new ATOM 0 HA LEU A 85 -5.958 7.216 5.332 1.00 43.44 H new ATOM 0 HB2 LEU A 85 -2.928 7.595 5.386 1.00 43.30 H new ATOM 0 HB3 LEU A 85 -3.730 6.576 4.208 1.00 43.30 H new ATOM 0 HG LEU A 85 -5.091 8.729 3.608 1.00 42.22 H new ATOM 0 HD11 LEU A 85 -3.867 10.860 3.876 1.00 20.10 H new ATOM 0 HD12 LEU A 85 -4.395 10.169 5.429 1.00 20.10 H new ATOM 0 HD13 LEU A 85 -2.693 10.035 4.929 1.00 20.10 H new ATOM 0 HD21 LEU A 85 -3.361 9.423 1.946 1.00 63.11 H new ATOM 0 HD22 LEU A 85 -2.154 8.456 2.826 1.00 63.11 H new ATOM 0 HD23 LEU A 85 -3.537 7.655 2.045 1.00 63.11 H new ATOM 1364 N LYS A 86 -4.188 5.665 7.639 1.00 73.34 N ATOM 1365 CA LYS A 86 -3.863 4.356 8.255 1.00 3.44 C ATOM 1366 C LYS A 86 -5.095 3.417 8.405 1.00 3.14 C ATOM 1367 O LYS A 86 -5.009 2.306 7.913 1.00 14.43 O ATOM 1368 CB LYS A 86 -3.098 4.513 9.608 1.00 33.14 C ATOM 1369 CG LYS A 86 -1.630 4.980 9.459 1.00 1.14 C ATOM 1370 CD LYS A 86 -0.935 5.260 10.820 1.00 24.41 C ATOM 1371 CE LYS A 86 0.425 5.967 10.657 1.00 75.30 C ATOM 1372 NZ LYS A 86 1.026 6.361 11.960 1.00 51.25 N ATOM 0 H LYS A 86 -3.888 6.468 8.193 1.00 73.34 H new ATOM 0 HA LYS A 86 -3.191 3.866 7.550 1.00 3.44 H new ATOM 0 HB2 LYS A 86 -3.633 5.228 10.233 1.00 33.14 H new ATOM 0 HB3 LYS A 86 -3.112 3.558 10.133 1.00 33.14 H new ATOM 0 HG2 LYS A 86 -1.066 4.218 8.921 1.00 1.14 H new ATOM 0 HG3 LYS A 86 -1.603 5.885 8.852 1.00 1.14 H new ATOM 0 HD2 LYS A 86 -1.589 5.876 11.438 1.00 24.41 H new ATOM 0 HD3 LYS A 86 -0.790 4.319 11.350 1.00 24.41 H new ATOM 0 HE2 LYS A 86 1.113 5.306 10.129 1.00 75.30 H new ATOM 0 HE3 LYS A 86 0.297 6.854 10.037 1.00 75.30 H new ATOM 0 HZ1 LYS A 86 1.930 6.847 11.792 1.00 51.25 H new ATOM 0 HZ2 LYS A 86 0.377 7.000 12.462 1.00 51.25 H new ATOM 0 HZ3 LYS A 86 1.191 5.512 12.537 1.00 51.25 H new ATOM 1386 N PRO A 87 -6.263 3.806 9.052 1.00 62.22 N ATOM 1387 CA PRO A 87 -7.418 2.876 9.201 1.00 20.42 C ATOM 1388 C PRO A 87 -8.006 2.439 7.835 1.00 33.24 C ATOM 1389 O PRO A 87 -8.591 1.368 7.735 1.00 4.33 O ATOM 1390 CB PRO A 87 -8.437 3.687 10.044 1.00 20.10 C ATOM 1391 CG PRO A 87 -8.055 5.122 9.826 1.00 43.43 C ATOM 1392 CD PRO A 87 -6.550 5.120 9.685 1.00 52.42 C ATOM 0 HA PRO A 87 -7.134 1.937 9.676 1.00 20.42 H new ATOM 0 HB2 PRO A 87 -9.460 3.496 9.720 1.00 20.10 H new ATOM 0 HB3 PRO A 87 -8.381 3.418 11.099 1.00 20.10 H new ATOM 0 HG2 PRO A 87 -8.533 5.524 8.933 1.00 43.43 H new ATOM 0 HG3 PRO A 87 -8.370 5.744 10.664 1.00 43.43 H new ATOM 0 HD2 PRO A 87 -6.204 5.948 9.066 1.00 52.42 H new ATOM 0 HD3 PRO A 87 -6.056 5.216 10.652 1.00 52.42 H new ATOM 1400 N ASP A 88 -7.834 3.286 6.801 1.00 53.34 N ATOM 1401 CA ASP A 88 -8.234 2.981 5.410 1.00 10.32 C ATOM 1402 C ASP A 88 -7.307 1.897 4.809 1.00 73.02 C ATOM 1403 O ASP A 88 -7.781 0.886 4.290 1.00 60.14 O ATOM 1404 CB ASP A 88 -8.186 4.280 4.555 1.00 53.45 C ATOM 1405 CG ASP A 88 -9.222 5.330 4.989 1.00 62.12 C ATOM 1406 OD1 ASP A 88 -8.946 6.093 5.939 1.00 1.33 O ATOM 1407 OD2 ASP A 88 -10.316 5.401 4.376 1.00 24.11 O ATOM 0 H ASP A 88 -7.411 4.208 6.907 1.00 53.34 H new ATOM 0 HA ASP A 88 -9.253 2.595 5.407 1.00 10.32 H new ATOM 0 HB2 ASP A 88 -7.188 4.714 4.622 1.00 53.45 H new ATOM 0 HB3 ASP A 88 -8.353 4.025 3.509 1.00 53.45 H new ATOM 1412 N ILE A 89 -5.983 2.131 4.917 1.00 61.13 N ATOM 1413 CA ILE A 89 -4.925 1.221 4.413 1.00 2.32 C ATOM 1414 C ILE A 89 -4.975 -0.137 5.147 1.00 62.34 C ATOM 1415 O ILE A 89 -4.790 -1.185 4.532 1.00 23.45 O ATOM 1416 CB ILE A 89 -3.495 1.898 4.551 1.00 61.14 C ATOM 1417 CG1 ILE A 89 -3.429 3.187 3.661 1.00 44.33 C ATOM 1418 CG2 ILE A 89 -2.336 0.922 4.206 1.00 73.24 C ATOM 1419 CD1 ILE A 89 -2.155 3.998 3.775 1.00 52.44 C ATOM 0 H ILE A 89 -5.610 2.969 5.363 1.00 61.13 H new ATOM 0 HA ILE A 89 -5.107 1.033 3.355 1.00 2.32 H new ATOM 0 HB ILE A 89 -3.361 2.175 5.597 1.00 61.14 H new ATOM 0 HG12 ILE A 89 -3.560 2.894 2.619 1.00 44.33 H new ATOM 0 HG13 ILE A 89 -4.271 3.829 3.920 1.00 44.33 H new ATOM 0 HG21 ILE A 89 -1.382 1.437 4.317 1.00 73.24 H new ATOM 0 HG22 ILE A 89 -2.368 0.067 4.881 1.00 73.24 H new ATOM 0 HG23 ILE A 89 -2.445 0.577 3.178 1.00 73.24 H new ATOM 0 HD11 ILE A 89 -2.216 4.866 3.118 1.00 52.44 H new ATOM 0 HD12 ILE A 89 -2.027 4.331 4.805 1.00 52.44 H new ATOM 0 HD13 ILE A 89 -1.304 3.382 3.484 1.00 52.44 H new ATOM 1431 N TYR A 90 -5.271 -0.090 6.457 1.00 12.53 N ATOM 1432 CA TYR A 90 -5.396 -1.276 7.314 1.00 51.32 C ATOM 1433 C TYR A 90 -6.645 -2.065 6.920 1.00 71.32 C ATOM 1434 O TYR A 90 -6.541 -3.239 6.642 1.00 42.02 O ATOM 1435 CB TYR A 90 -5.437 -0.898 8.829 1.00 45.34 C ATOM 1436 CG TYR A 90 -4.066 -0.586 9.474 1.00 35.31 C ATOM 1437 CD1 TYR A 90 -3.126 0.245 8.851 1.00 14.54 C ATOM 1438 CD2 TYR A 90 -3.723 -1.118 10.721 1.00 31.03 C ATOM 1439 CE1 TYR A 90 -1.912 0.531 9.440 1.00 44.34 C ATOM 1440 CE2 TYR A 90 -2.508 -0.833 11.315 1.00 52.42 C ATOM 1441 CZ TYR A 90 -1.607 -0.005 10.671 1.00 41.12 C ATOM 1442 OH TYR A 90 -0.392 0.281 11.260 1.00 4.12 O ATOM 0 H TYR A 90 -5.432 0.786 6.955 1.00 12.53 H new ATOM 0 HA TYR A 90 -4.513 -1.897 7.164 1.00 51.32 H new ATOM 0 HB2 TYR A 90 -6.083 -0.029 8.951 1.00 45.34 H new ATOM 0 HB3 TYR A 90 -5.899 -1.718 9.378 1.00 45.34 H new ATOM 0 HD1 TYR A 90 -3.357 0.672 7.886 1.00 14.54 H new ATOM 0 HD2 TYR A 90 -4.422 -1.765 11.230 1.00 31.03 H new ATOM 0 HE1 TYR A 90 -1.203 1.173 8.938 1.00 44.34 H new ATOM 0 HE2 TYR A 90 -2.263 -1.255 12.278 1.00 52.42 H new ATOM 0 HH TYR A 90 0.025 -0.550 11.570 1.00 4.12 H new ATOM 1452 N ALA A 91 -7.813 -1.394 6.852 1.00 4.20 N ATOM 1453 CA ALA A 91 -9.106 -2.040 6.502 1.00 32.23 C ATOM 1454 C ALA A 91 -8.990 -2.830 5.180 1.00 15.33 C ATOM 1455 O ALA A 91 -9.396 -3.991 5.098 1.00 64.12 O ATOM 1456 CB ALA A 91 -10.228 -0.986 6.414 1.00 74.41 C ATOM 0 H ALA A 91 -7.892 -0.394 7.036 1.00 4.20 H new ATOM 0 HA ALA A 91 -9.359 -2.747 7.292 1.00 32.23 H new ATOM 0 HB1 ALA A 91 -11.167 -1.475 6.157 1.00 74.41 H new ATOM 0 HB2 ALA A 91 -10.332 -0.484 7.376 1.00 74.41 H new ATOM 0 HB3 ALA A 91 -9.979 -0.253 5.647 1.00 74.41 H new ATOM 1462 N THR A 92 -8.377 -2.168 4.186 1.00 31.20 N ATOM 1463 CA THR A 92 -8.095 -2.728 2.861 1.00 4.42 C ATOM 1464 C THR A 92 -7.179 -3.983 2.928 1.00 43.23 C ATOM 1465 O THR A 92 -7.574 -5.065 2.481 1.00 62.32 O ATOM 1466 CB THR A 92 -7.437 -1.623 1.972 1.00 53.45 C ATOM 1467 OG1 THR A 92 -8.330 -0.500 1.856 1.00 54.34 O ATOM 1468 CG2 THR A 92 -7.086 -2.130 0.578 1.00 53.42 C ATOM 0 H THR A 92 -8.057 -1.205 4.287 1.00 31.20 H new ATOM 0 HA THR A 92 -9.039 -3.053 2.424 1.00 4.42 H new ATOM 0 HB THR A 92 -6.509 -1.326 2.460 1.00 53.45 H new ATOM 0 HG1 THR A 92 -8.242 0.071 2.647 1.00 54.34 H new ATOM 0 HG21 THR A 92 -6.632 -1.324 0.001 1.00 53.42 H new ATOM 0 HG22 THR A 92 -6.383 -2.959 0.659 1.00 53.42 H new ATOM 0 HG23 THR A 92 -7.992 -2.470 0.076 1.00 53.42 H new ATOM 1476 N ILE A 93 -5.968 -3.817 3.509 1.00 54.01 N ATOM 1477 CA ILE A 93 -4.921 -4.870 3.548 1.00 64.05 C ATOM 1478 C ILE A 93 -5.362 -6.069 4.420 1.00 2.31 C ATOM 1479 O ILE A 93 -5.276 -7.216 3.975 1.00 52.45 O ATOM 1480 CB ILE A 93 -3.526 -4.280 4.034 1.00 1.31 C ATOM 1481 CG1 ILE A 93 -2.940 -3.297 2.964 1.00 24.31 C ATOM 1482 CG2 ILE A 93 -2.496 -5.388 4.376 1.00 5.33 C ATOM 1483 CD1 ILE A 93 -1.593 -2.674 3.323 1.00 53.14 C ATOM 0 H ILE A 93 -5.687 -2.949 3.965 1.00 54.01 H new ATOM 0 HA ILE A 93 -4.785 -5.238 2.531 1.00 64.05 H new ATOM 0 HB ILE A 93 -3.719 -3.731 4.955 1.00 1.31 H new ATOM 0 HG12 ILE A 93 -2.835 -3.833 2.021 1.00 24.31 H new ATOM 0 HG13 ILE A 93 -3.660 -2.496 2.797 1.00 24.31 H new ATOM 0 HG21 ILE A 93 -1.563 -4.929 4.702 1.00 5.33 H new ATOM 0 HG22 ILE A 93 -2.890 -6.017 5.175 1.00 5.33 H new ATOM 0 HG23 ILE A 93 -2.311 -5.998 3.492 1.00 5.33 H new ATOM 0 HD11 ILE A 93 -1.273 -2.010 2.520 1.00 53.14 H new ATOM 0 HD12 ILE A 93 -1.690 -2.104 4.247 1.00 53.14 H new ATOM 0 HD13 ILE A 93 -0.852 -3.462 3.459 1.00 53.14 H new ATOM 1495 N MET A 94 -5.833 -5.786 5.652 1.00 64.10 N ATOM 1496 CA MET A 94 -6.331 -6.813 6.596 1.00 4.34 C ATOM 1497 C MET A 94 -7.425 -7.671 5.941 1.00 2.33 C ATOM 1498 O MET A 94 -7.343 -8.892 5.984 1.00 14.02 O ATOM 1499 CB MET A 94 -6.880 -6.188 7.921 1.00 61.11 C ATOM 1500 CG MET A 94 -5.853 -5.400 8.755 1.00 45.50 C ATOM 1501 SD MET A 94 -6.516 -4.841 10.348 1.00 64.34 S ATOM 1502 CE MET A 94 -7.977 -3.915 9.884 1.00 51.11 C ATOM 0 H MET A 94 -5.880 -4.837 6.023 1.00 64.10 H new ATOM 0 HA MET A 94 -5.477 -7.441 6.851 1.00 4.34 H new ATOM 0 HB2 MET A 94 -7.708 -5.524 7.674 1.00 61.11 H new ATOM 0 HB3 MET A 94 -7.287 -6.988 8.539 1.00 61.11 H new ATOM 0 HG2 MET A 94 -4.978 -6.026 8.931 1.00 45.50 H new ATOM 0 HG3 MET A 94 -5.516 -4.535 8.184 1.00 45.50 H new ATOM 0 HE1 MET A 94 -8.075 -3.042 10.529 1.00 51.11 H new ATOM 0 HE2 MET A 94 -7.889 -3.591 8.847 1.00 51.11 H new ATOM 0 HE3 MET A 94 -8.858 -4.547 9.993 1.00 51.11 H new ATOM 1512 N ASP A 95 -8.435 -7.005 5.322 1.00 13.11 N ATOM 1513 CA ASP A 95 -9.552 -7.690 4.619 1.00 30.12 C ATOM 1514 C ASP A 95 -9.065 -8.541 3.430 1.00 12.01 C ATOM 1515 O ASP A 95 -9.568 -9.650 3.212 1.00 45.22 O ATOM 1516 CB ASP A 95 -10.599 -6.650 4.138 1.00 1.33 C ATOM 1517 CG ASP A 95 -11.769 -7.272 3.351 1.00 22.11 C ATOM 1518 OD1 ASP A 95 -12.581 -7.995 3.960 1.00 54.41 O ATOM 1519 OD2 ASP A 95 -11.872 -7.046 2.125 1.00 30.44 O ATOM 0 H ASP A 95 -8.498 -5.987 5.296 1.00 13.11 H new ATOM 0 HA ASP A 95 -10.014 -8.370 5.335 1.00 30.12 H new ATOM 0 HB2 ASP A 95 -10.996 -6.119 5.003 1.00 1.33 H new ATOM 0 HB3 ASP A 95 -10.102 -5.910 3.510 1.00 1.33 H new ATOM 1524 N PHE A 96 -8.094 -8.001 2.678 1.00 43.43 N ATOM 1525 CA PHE A 96 -7.530 -8.644 1.474 1.00 43.04 C ATOM 1526 C PHE A 96 -6.929 -10.028 1.821 1.00 61.33 C ATOM 1527 O PHE A 96 -7.272 -11.045 1.202 1.00 34.13 O ATOM 1528 CB PHE A 96 -6.460 -7.705 0.856 1.00 73.10 C ATOM 1529 CG PHE A 96 -5.798 -8.214 -0.423 1.00 60.44 C ATOM 1530 CD1 PHE A 96 -6.415 -8.036 -1.660 1.00 55.30 C ATOM 1531 CD2 PHE A 96 -4.561 -8.866 -0.388 1.00 70.12 C ATOM 1532 CE1 PHE A 96 -5.820 -8.486 -2.817 1.00 21.44 C ATOM 1533 CE2 PHE A 96 -3.970 -9.311 -1.547 1.00 54.43 C ATOM 1534 CZ PHE A 96 -4.601 -9.124 -2.761 1.00 73.33 C ATOM 0 H PHE A 96 -7.672 -7.097 2.888 1.00 43.43 H new ATOM 0 HA PHE A 96 -8.322 -8.811 0.744 1.00 43.04 H new ATOM 0 HB2 PHE A 96 -6.925 -6.742 0.645 1.00 73.10 H new ATOM 0 HB3 PHE A 96 -5.684 -7.528 1.600 1.00 73.10 H new ATOM 0 HD1 PHE A 96 -7.372 -7.539 -1.712 1.00 55.30 H new ATOM 0 HD2 PHE A 96 -4.065 -9.021 0.559 1.00 70.12 H new ATOM 0 HE1 PHE A 96 -6.309 -8.339 -3.768 1.00 21.44 H new ATOM 0 HE2 PHE A 96 -3.012 -9.807 -1.508 1.00 54.43 H new ATOM 0 HZ PHE A 96 -4.137 -9.479 -3.669 1.00 73.33 H new ATOM 1544 N PHE A 97 -6.057 -10.038 2.846 1.00 33.34 N ATOM 1545 CA PHE A 97 -5.376 -11.263 3.323 1.00 0.23 C ATOM 1546 C PHE A 97 -6.342 -12.159 4.130 1.00 23.42 C ATOM 1547 O PHE A 97 -6.197 -13.389 4.136 1.00 71.44 O ATOM 1548 CB PHE A 97 -4.114 -10.895 4.154 1.00 53.22 C ATOM 1549 CG PHE A 97 -2.985 -10.284 3.314 1.00 21.31 C ATOM 1550 CD1 PHE A 97 -2.141 -11.097 2.559 1.00 32.42 C ATOM 1551 CD2 PHE A 97 -2.771 -8.908 3.269 1.00 31.23 C ATOM 1552 CE1 PHE A 97 -1.125 -10.555 1.797 1.00 72.44 C ATOM 1553 CE2 PHE A 97 -1.754 -8.369 2.504 1.00 42.11 C ATOM 1554 CZ PHE A 97 -0.933 -9.192 1.771 1.00 30.20 C ATOM 0 H PHE A 97 -5.803 -9.200 3.369 1.00 33.34 H new ATOM 0 HA PHE A 97 -5.052 -11.836 2.454 1.00 0.23 H new ATOM 0 HB2 PHE A 97 -4.396 -10.190 4.936 1.00 53.22 H new ATOM 0 HB3 PHE A 97 -3.742 -11.791 4.651 1.00 53.22 H new ATOM 0 HD1 PHE A 97 -2.284 -12.167 2.570 1.00 32.42 H new ATOM 0 HD2 PHE A 97 -3.410 -8.252 3.841 1.00 31.23 H new ATOM 0 HE1 PHE A 97 -0.480 -11.201 1.220 1.00 72.44 H new ATOM 0 HE2 PHE A 97 -1.604 -7.300 2.482 1.00 42.11 H new ATOM 0 HZ PHE A 97 -0.138 -8.770 1.175 1.00 30.20 H new ATOM 1564 N ALA A 98 -7.337 -11.531 4.792 1.00 51.34 N ATOM 1565 CA ALA A 98 -8.401 -12.243 5.542 1.00 34.22 C ATOM 1566 C ALA A 98 -9.247 -13.123 4.614 1.00 52.33 C ATOM 1567 O ALA A 98 -9.635 -14.241 4.979 1.00 12.12 O ATOM 1568 CB ALA A 98 -9.305 -11.234 6.264 1.00 31.33 C ATOM 0 H ALA A 98 -7.428 -10.516 4.823 1.00 51.34 H new ATOM 0 HA ALA A 98 -7.916 -12.888 6.275 1.00 34.22 H new ATOM 0 HB1 ALA A 98 -10.082 -11.768 6.811 1.00 31.33 H new ATOM 0 HB2 ALA A 98 -8.709 -10.646 6.962 1.00 31.33 H new ATOM 0 HB3 ALA A 98 -9.767 -10.571 5.533 1.00 31.33 H new ATOM 1574 N SER A 99 -9.536 -12.587 3.420 1.00 53.31 N ATOM 1575 CA SER A 99 -10.272 -13.302 2.370 1.00 71.31 C ATOM 1576 C SER A 99 -9.356 -14.305 1.643 1.00 14.14 C ATOM 1577 O SER A 99 -9.833 -15.307 1.104 1.00 64.23 O ATOM 1578 CB SER A 99 -10.871 -12.288 1.379 1.00 50.43 C ATOM 1579 OG SER A 99 -11.733 -11.375 2.043 1.00 54.00 O ATOM 0 H SER A 99 -9.264 -11.640 3.155 1.00 53.31 H new ATOM 0 HA SER A 99 -11.082 -13.869 2.829 1.00 71.31 H new ATOM 0 HB2 SER A 99 -10.069 -11.741 0.883 1.00 50.43 H new ATOM 0 HB3 SER A 99 -11.424 -12.816 0.602 1.00 50.43 H new ATOM 0 HG SER A 99 -11.197 -10.700 2.510 1.00 54.00 H new ATOM 1585 N GLY A 100 -8.041 -14.023 1.656 1.00 12.13 N ATOM 1586 CA GLY A 100 -7.050 -14.872 0.994 1.00 25.34 C ATOM 1587 C GLY A 100 -6.981 -14.616 -0.506 1.00 51.54 C ATOM 1588 O GLY A 100 -6.813 -15.548 -1.299 1.00 75.44 O ATOM 0 H GLY A 100 -7.644 -13.207 2.122 1.00 12.13 H new ATOM 0 HA2 GLY A 100 -6.070 -14.695 1.436 1.00 25.34 H new ATOM 0 HA3 GLY A 100 -7.295 -15.919 1.171 1.00 25.34 H new ATOM 1592 N LEU A 101 -7.129 -13.334 -0.883 1.00 72.04 N ATOM 1593 CA LEU A 101 -7.071 -12.882 -2.285 1.00 15.30 C ATOM 1594 C LEU A 101 -5.598 -12.857 -2.768 1.00 31.31 C ATOM 1595 O LEU A 101 -4.716 -12.480 -1.989 1.00 52.03 O ATOM 1596 CB LEU A 101 -7.713 -11.469 -2.402 1.00 65.14 C ATOM 1597 CG LEU A 101 -9.217 -11.350 -1.995 1.00 52.42 C ATOM 1598 CD1 LEU A 101 -9.704 -9.884 -2.058 1.00 32.21 C ATOM 1599 CD2 LEU A 101 -10.109 -12.270 -2.856 1.00 10.44 C ATOM 0 H LEU A 101 -7.293 -12.577 -0.219 1.00 72.04 H new ATOM 0 HA LEU A 101 -7.629 -13.573 -2.917 1.00 15.30 H new ATOM 0 HB2 LEU A 101 -7.137 -10.780 -1.784 1.00 65.14 H new ATOM 0 HB3 LEU A 101 -7.611 -11.133 -3.434 1.00 65.14 H new ATOM 0 HG LEU A 101 -9.301 -11.683 -0.960 1.00 52.42 H new ATOM 0 HD11 LEU A 101 -10.754 -9.837 -1.769 1.00 32.21 H new ATOM 0 HD12 LEU A 101 -9.112 -9.274 -1.376 1.00 32.21 H new ATOM 0 HD13 LEU A 101 -9.590 -9.506 -3.074 1.00 32.21 H new ATOM 0 HD21 LEU A 101 -11.149 -12.162 -2.546 1.00 10.44 H new ATOM 0 HD22 LEU A 101 -10.012 -11.992 -3.906 1.00 10.44 H new ATOM 0 HD23 LEU A 101 -9.797 -13.306 -2.725 1.00 10.44 H new ATOM 1611 N PRO A 102 -5.300 -13.261 -4.052 1.00 35.54 N ATOM 1612 CA PRO A 102 -3.907 -13.311 -4.573 1.00 41.21 C ATOM 1613 C PRO A 102 -3.282 -11.897 -4.672 1.00 65.12 C ATOM 1614 O PRO A 102 -3.859 -11.001 -5.306 1.00 15.44 O ATOM 1615 CB PRO A 102 -4.059 -13.985 -5.965 1.00 2.23 C ATOM 1616 CG PRO A 102 -5.482 -13.725 -6.370 1.00 30.42 C ATOM 1617 CD PRO A 102 -6.287 -13.685 -5.084 1.00 32.42 C ATOM 0 HA PRO A 102 -3.230 -13.861 -3.919 1.00 41.21 H new ATOM 0 HB2 PRO A 102 -3.360 -13.562 -6.687 1.00 2.23 H new ATOM 0 HB3 PRO A 102 -3.853 -15.054 -5.910 1.00 2.23 H new ATOM 0 HG2 PRO A 102 -5.567 -12.783 -6.912 1.00 30.42 H new ATOM 0 HG3 PRO A 102 -5.847 -14.509 -7.034 1.00 30.42 H new ATOM 0 HD2 PRO A 102 -7.117 -12.982 -5.155 1.00 32.42 H new ATOM 0 HD3 PRO A 102 -6.714 -14.660 -4.850 1.00 32.42 H new ATOM 1625 N LEU A 103 -2.110 -11.726 -4.013 1.00 2.33 N ATOM 1626 CA LEU A 103 -1.371 -10.446 -3.911 1.00 33.20 C ATOM 1627 C LEU A 103 -1.099 -9.861 -5.313 1.00 53.50 C ATOM 1628 O LEU A 103 -1.352 -8.680 -5.559 1.00 45.51 O ATOM 1629 CB LEU A 103 -0.048 -10.684 -3.088 1.00 33.20 C ATOM 1630 CG LEU A 103 0.701 -9.434 -2.484 1.00 14.23 C ATOM 1631 CD1 LEU A 103 1.505 -8.638 -3.527 1.00 24.21 C ATOM 1632 CD2 LEU A 103 -0.275 -8.514 -1.724 1.00 70.20 C ATOM 0 H LEU A 103 -1.643 -12.492 -3.527 1.00 2.33 H new ATOM 0 HA LEU A 103 -1.972 -9.707 -3.382 1.00 33.20 H new ATOM 0 HB2 LEU A 103 -0.287 -11.356 -2.264 1.00 33.20 H new ATOM 0 HB3 LEU A 103 0.654 -11.210 -3.735 1.00 33.20 H new ATOM 0 HG LEU A 103 1.429 -9.834 -1.778 1.00 14.23 H new ATOM 0 HD11 LEU A 103 1.994 -7.793 -3.042 1.00 24.21 H new ATOM 0 HD12 LEU A 103 2.259 -9.285 -3.976 1.00 24.21 H new ATOM 0 HD13 LEU A 103 0.833 -8.272 -4.303 1.00 24.21 H new ATOM 0 HD21 LEU A 103 0.270 -7.661 -1.319 1.00 70.20 H new ATOM 0 HD22 LEU A 103 -1.048 -8.160 -2.407 1.00 70.20 H new ATOM 0 HD23 LEU A 103 -0.738 -9.069 -0.908 1.00 70.20 H new ATOM 1644 N VAL A 104 -0.602 -10.717 -6.223 1.00 65.34 N ATOM 1645 CA VAL A 104 -0.361 -10.368 -7.632 1.00 45.41 C ATOM 1646 C VAL A 104 -1.134 -11.362 -8.520 1.00 42.11 C ATOM 1647 O VAL A 104 -0.902 -12.576 -8.438 1.00 42.42 O ATOM 1648 CB VAL A 104 1.175 -10.414 -7.992 1.00 55.50 C ATOM 1649 CG1 VAL A 104 1.413 -10.107 -9.487 1.00 12.22 C ATOM 1650 CG2 VAL A 104 1.995 -9.447 -7.103 1.00 73.32 C ATOM 0 H VAL A 104 -0.354 -11.680 -5.997 1.00 65.34 H new ATOM 0 HA VAL A 104 -0.705 -9.348 -7.803 1.00 45.41 H new ATOM 0 HB VAL A 104 1.520 -11.429 -7.795 1.00 55.50 H new ATOM 0 HG11 VAL A 104 2.481 -10.147 -9.701 1.00 12.22 H new ATOM 0 HG12 VAL A 104 0.893 -10.845 -10.097 1.00 12.22 H new ATOM 0 HG13 VAL A 104 1.033 -9.112 -9.719 1.00 12.22 H new ATOM 0 HG21 VAL A 104 3.048 -9.505 -7.378 1.00 73.32 H new ATOM 0 HG22 VAL A 104 1.637 -8.428 -7.248 1.00 73.32 H new ATOM 0 HG23 VAL A 104 1.878 -9.727 -6.056 1.00 73.32 H new ATOM 1660 N THR A 105 -2.060 -10.847 -9.343 1.00 20.12 N ATOM 1661 CA THR A 105 -2.837 -11.652 -10.304 1.00 62.44 C ATOM 1662 C THR A 105 -2.080 -11.786 -11.641 1.00 41.51 C ATOM 1663 O THR A 105 -1.875 -12.902 -12.145 1.00 2.21 O ATOM 1664 CB THR A 105 -4.250 -11.015 -10.537 1.00 43.54 C ATOM 1665 OG1 THR A 105 -4.125 -9.583 -10.689 1.00 30.22 O ATOM 1666 CG2 THR A 105 -5.211 -11.344 -9.381 1.00 71.30 C ATOM 0 H THR A 105 -2.294 -9.854 -9.362 1.00 20.12 H new ATOM 0 HA THR A 105 -2.971 -12.649 -9.885 1.00 62.44 H new ATOM 0 HB THR A 105 -4.667 -11.440 -11.450 1.00 43.54 H new ATOM 0 HG1 THR A 105 -5.011 -9.191 -10.836 1.00 30.22 H new ATOM 0 HG21 THR A 105 -6.182 -10.887 -9.574 1.00 71.30 H new ATOM 0 HG22 THR A 105 -5.328 -12.425 -9.301 1.00 71.30 H new ATOM 0 HG23 THR A 105 -4.805 -10.953 -8.448 1.00 71.30 H new