USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 88 ASN : amide:sc= 0.897 K(o=2.1,f=-2.7!) USER MOD Set 1.2: A 90 THR OG1 : rot -64:sc= 1.24 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0.0382 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -161:sc= -0.044 (180deg=-0.314) USER MOD Set 3.1: A 51 SER OG : rot 23:sc= 1.34 USER MOD Set 3.2: A 99 CYS SG : rot 170:sc= 1.64 USER MOD Set 4.1: A 14 MET CE :methyl 174:sc= -0.101 (180deg=-0.0736) USER MOD Set 4.2: A 41 CYS SG : rot -16:sc= -1.34 USER MOD Set 4.3: A 43 ASN : amide:sc= -0.336 K(o=-1.8,f=-7.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -140:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0.387 (180deg=0.00502) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 173:sc= 0.00192 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= 0.923 (180deg=0.435) USER MOD Single : A 61 ASN : amide:sc= 0.697 K(o=0.7,f=-5.9!) USER MOD Single : A 62 THR OG1 : rot -35:sc= 0.0976 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 174:sc= 0.722 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.03 K(o=1,f=-0.16) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.579 K(o=-0.58,f=-1.8) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00592 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 110 LYS NZ :NH3+ -133:sc= 0.12 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.03 K(o=1,f=-2.4) USER MOD Single : A 117 LYS NZ :NH3+ 166:sc= -0.0116 (180deg=-0.168) USER MOD Single : A 118 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -1.576 12.527 -0.558 1.00 5.01 N ATOM 165 CA MET A 14 -0.700 12.236 0.562 1.00 62.14 C ATOM 166 C MET A 14 0.757 12.420 0.101 1.00 22.42 C ATOM 167 O MET A 14 1.157 11.872 -0.925 1.00 53.12 O ATOM 168 CB MET A 14 -0.999 10.813 1.072 1.00 65.32 C ATOM 169 CG MET A 14 -2.483 10.485 1.317 1.00 54.31 C ATOM 170 SD MET A 14 -2.819 8.750 1.723 1.00 61.34 S ATOM 171 CE MET A 14 -1.947 8.565 3.302 1.00 44.24 C ATOM 0 HA MET A 14 -0.868 12.916 1.397 1.00 62.14 H new ATOM 0 HB2 MET A 14 -0.603 10.099 0.350 1.00 65.32 H new ATOM 0 HB3 MET A 14 -0.454 10.660 2.004 1.00 65.32 H new ATOM 0 HG2 MET A 14 -2.850 11.112 2.130 1.00 54.31 H new ATOM 0 HG3 MET A 14 -3.052 10.752 0.426 1.00 54.31 H new ATOM 0 HE1 MET A 14 -2.156 7.580 3.720 1.00 44.24 H new ATOM 0 HE2 MET A 14 -0.874 8.670 3.140 1.00 44.24 H new ATOM 0 HE3 MET A 14 -2.285 9.334 3.997 1.00 44.24 H new ATOM 181 N LYS A 15 1.553 13.219 0.821 1.00 32.53 N ATOM 182 CA LYS A 15 2.972 13.447 0.549 1.00 41.40 C ATOM 183 C LYS A 15 3.769 12.656 1.564 1.00 21.34 C ATOM 184 O LYS A 15 3.904 13.020 2.739 1.00 12.30 O ATOM 185 CB LYS A 15 3.350 14.924 0.615 1.00 22.22 C ATOM 186 CG LYS A 15 2.830 15.712 -0.591 1.00 13.35 C ATOM 187 CD LYS A 15 3.365 17.151 -0.664 1.00 70.23 C ATOM 188 CE LYS A 15 2.608 18.037 0.321 1.00 42.30 C ATOM 189 NZ LYS A 15 2.895 19.475 0.162 1.00 53.23 N ATOM 0 H LYS A 15 1.216 13.738 1.631 1.00 32.53 H new ATOM 0 HA LYS A 15 3.193 13.120 -0.467 1.00 41.40 H new ATOM 0 HB2 LYS A 15 2.949 15.359 1.531 1.00 22.22 H new ATOM 0 HB3 LYS A 15 4.435 15.017 0.667 1.00 22.22 H new ATOM 0 HG2 LYS A 15 3.105 15.185 -1.505 1.00 13.35 H new ATOM 0 HG3 LYS A 15 1.741 15.740 -0.554 1.00 13.35 H new ATOM 0 HD2 LYS A 15 4.430 17.164 -0.434 1.00 70.23 H new ATOM 0 HD3 LYS A 15 3.253 17.539 -1.676 1.00 70.23 H new ATOM 0 HE2 LYS A 15 1.538 17.873 0.196 1.00 42.30 H new ATOM 0 HE3 LYS A 15 2.861 17.735 1.337 1.00 42.30 H new ATOM 0 HZ1 LYS A 15 2.349 20.017 0.861 1.00 53.23 H new ATOM 0 HZ2 LYS A 15 3.910 19.645 0.309 1.00 53.23 H new ATOM 0 HZ3 LYS A 15 2.628 19.778 -0.796 1.00 53.23 H new ATOM 203 N TRP A 16 4.261 11.530 1.095 1.00 63.41 N ATOM 204 CA TRP A 16 4.967 10.550 1.892 1.00 43.25 C ATOM 205 C TRP A 16 6.455 10.915 1.899 1.00 42.22 C ATOM 206 O TRP A 16 7.098 10.917 0.846 1.00 43.32 O ATOM 207 CB TRP A 16 4.703 9.151 1.333 1.00 31.22 C ATOM 208 CG TRP A 16 3.269 8.729 1.167 1.00 5.14 C ATOM 209 CD1 TRP A 16 2.463 9.115 0.153 1.00 24.43 C ATOM 210 CD2 TRP A 16 2.504 7.727 1.908 1.00 2.13 C ATOM 211 NE1 TRP A 16 1.292 8.394 0.188 1.00 62.22 N ATOM 212 CE2 TRP A 16 1.250 7.529 1.256 1.00 45.21 C ATOM 213 CE3 TRP A 16 2.783 6.896 3.011 1.00 44.02 C ATOM 214 CZ2 TRP A 16 0.323 6.561 1.675 1.00 44.11 C ATOM 215 CZ3 TRP A 16 1.894 5.873 3.394 1.00 2.11 C ATOM 216 CH2 TRP A 16 0.658 5.716 2.745 1.00 14.41 C ATOM 0 H TRP A 16 4.178 11.262 0.114 1.00 63.41 H new ATOM 0 HA TRP A 16 4.615 10.549 2.924 1.00 43.25 H new ATOM 0 HB2 TRP A 16 5.189 9.080 0.360 1.00 31.22 H new ATOM 0 HB3 TRP A 16 5.192 8.429 1.987 1.00 31.22 H new ATOM 0 HD1 TRP A 16 2.702 9.875 -0.576 1.00 24.43 H new ATOM 0 HE1 TRP A 16 0.543 8.490 -0.498 1.00 62.22 H new ATOM 0 HE3 TRP A 16 3.694 7.046 3.572 1.00 44.02 H new ATOM 0 HZ2 TRP A 16 -0.633 6.468 1.182 1.00 44.11 H new ATOM 0 HZ3 TRP A 16 2.165 5.202 4.195 1.00 2.11 H new ATOM 0 HH2 TRP A 16 -0.031 4.949 3.067 1.00 14.41 H new ATOM 227 N SER A 17 7.012 11.309 3.045 1.00 25.50 N ATOM 228 CA SER A 17 8.412 11.726 3.163 1.00 3.03 C ATOM 229 C SER A 17 9.387 10.559 3.387 1.00 41.25 C ATOM 230 O SER A 17 10.599 10.778 3.369 1.00 61.55 O ATOM 231 CB SER A 17 8.528 12.786 4.260 1.00 2.14 C ATOM 232 OG SER A 17 7.890 13.973 3.812 1.00 72.43 O ATOM 0 H SER A 17 6.500 11.348 3.926 1.00 25.50 H new ATOM 0 HA SER A 17 8.712 12.155 2.207 1.00 3.03 H new ATOM 0 HB2 SER A 17 8.063 12.431 5.180 1.00 2.14 H new ATOM 0 HB3 SER A 17 9.576 12.982 4.487 1.00 2.14 H new ATOM 0 HG SER A 17 8.418 14.752 4.086 1.00 72.43 H new ATOM 238 N LYS A 18 8.890 9.332 3.534 1.00 73.42 N ATOM 239 CA LYS A 18 9.629 8.090 3.311 1.00 24.44 C ATOM 240 C LYS A 18 8.813 7.380 2.236 1.00 63.55 C ATOM 241 O LYS A 18 7.594 7.317 2.410 1.00 74.22 O ATOM 242 CB LYS A 18 9.672 7.240 4.599 1.00 70.41 C ATOM 243 CG LYS A 18 11.094 6.989 5.092 1.00 32.13 C ATOM 244 CD LYS A 18 11.755 8.236 5.691 1.00 63.13 C ATOM 245 CE LYS A 18 13.213 8.202 5.238 1.00 25.14 C ATOM 246 NZ LYS A 18 14.079 9.093 6.038 1.00 62.32 N ATOM 0 H LYS A 18 7.925 9.169 3.823 1.00 73.42 H new ATOM 0 HA LYS A 18 10.666 8.261 3.022 1.00 24.44 H new ATOM 0 HB2 LYS A 18 9.104 7.744 5.381 1.00 70.41 H new ATOM 0 HB3 LYS A 18 9.182 6.284 4.415 1.00 70.41 H new ATOM 0 HG2 LYS A 18 11.077 6.199 5.843 1.00 32.13 H new ATOM 0 HG3 LYS A 18 11.701 6.627 4.262 1.00 32.13 H new ATOM 0 HD2 LYS A 18 11.260 9.144 5.345 1.00 63.13 H new ATOM 0 HD3 LYS A 18 11.685 8.230 6.779 1.00 63.13 H new ATOM 0 HE2 LYS A 18 13.587 7.181 5.307 1.00 25.14 H new ATOM 0 HE3 LYS A 18 13.270 8.492 4.189 1.00 25.14 H new ATOM 0 HZ1 LYS A 18 15.057 9.032 5.689 1.00 62.32 H new ATOM 0 HZ2 LYS A 18 13.742 10.073 5.953 1.00 62.32 H new ATOM 0 HZ3 LYS A 18 14.049 8.802 7.036 1.00 62.32 H new ATOM 260 N VAL A 19 9.436 6.876 1.176 1.00 43.01 N ATOM 261 CA VAL A 19 8.889 5.881 0.252 1.00 72.23 C ATOM 262 C VAL A 19 10.052 4.989 -0.208 1.00 72.55 C ATOM 263 O VAL A 19 11.183 5.484 -0.313 1.00 23.23 O ATOM 264 CB VAL A 19 8.172 6.512 -0.971 1.00 70.32 C ATOM 265 CG1 VAL A 19 6.975 7.378 -0.580 1.00 5.20 C ATOM 266 CG2 VAL A 19 9.103 7.344 -1.868 1.00 70.22 C ATOM 0 H VAL A 19 10.382 7.162 0.923 1.00 43.01 H new ATOM 0 HA VAL A 19 8.125 5.304 0.773 1.00 72.23 H new ATOM 0 HB VAL A 19 7.822 5.649 -1.538 1.00 70.32 H new ATOM 0 HG11 VAL A 19 6.516 7.791 -1.478 1.00 5.20 H new ATOM 0 HG12 VAL A 19 6.245 6.770 -0.046 1.00 5.20 H new ATOM 0 HG13 VAL A 19 7.309 8.192 0.063 1.00 5.20 H new ATOM 0 HG21 VAL A 19 8.534 7.754 -2.702 1.00 70.22 H new ATOM 0 HG22 VAL A 19 9.534 8.159 -1.287 1.00 70.22 H new ATOM 0 HG23 VAL A 19 9.902 6.709 -2.251 1.00 70.22 H new ATOM 276 N PRO A 20 9.799 3.712 -0.537 1.00 22.54 N ATOM 277 CA PRO A 20 10.802 2.820 -1.103 1.00 41.34 C ATOM 278 C PRO A 20 11.242 3.294 -2.494 1.00 73.32 C ATOM 279 O PRO A 20 10.478 3.922 -3.236 1.00 34.33 O ATOM 280 CB PRO A 20 10.111 1.455 -1.177 1.00 12.23 C ATOM 281 CG PRO A 20 8.638 1.805 -1.294 1.00 54.23 C ATOM 282 CD PRO A 20 8.517 3.038 -0.422 1.00 25.31 C ATOM 0 HA PRO A 20 11.710 2.788 -0.500 1.00 41.34 H new ATOM 0 HB2 PRO A 20 10.455 0.878 -2.035 1.00 12.23 H new ATOM 0 HB3 PRO A 20 10.311 0.856 -0.289 1.00 12.23 H new ATOM 0 HG2 PRO A 20 8.351 2.009 -2.326 1.00 54.23 H new ATOM 0 HG3 PRO A 20 8.000 0.995 -0.940 1.00 54.23 H new ATOM 0 HD2 PRO A 20 7.703 3.680 -0.758 1.00 25.31 H new ATOM 0 HD3 PRO A 20 8.305 2.769 0.613 1.00 25.31 H new ATOM 290 N SER A 21 12.458 2.921 -2.895 1.00 74.13 N ATOM 291 CA SER A 21 13.027 3.308 -4.182 1.00 42.42 C ATOM 292 C SER A 21 12.210 2.733 -5.347 1.00 72.14 C ATOM 293 O SER A 21 11.926 3.439 -6.312 1.00 53.13 O ATOM 294 CB SER A 21 14.495 2.873 -4.259 1.00 43.22 C ATOM 295 OG SER A 21 15.151 3.081 -3.017 1.00 33.50 O ATOM 0 H SER A 21 13.077 2.339 -2.331 1.00 74.13 H new ATOM 0 HA SER A 21 12.985 4.394 -4.267 1.00 42.42 H new ATOM 0 HB2 SER A 21 14.552 1.820 -4.533 1.00 43.22 H new ATOM 0 HB3 SER A 21 15.004 3.434 -5.042 1.00 43.22 H new ATOM 0 HG SER A 21 16.086 2.795 -3.089 1.00 33.50 H new ATOM 301 N GLY A 22 11.768 1.475 -5.234 1.00 41.03 N ATOM 302 CA GLY A 22 11.106 0.750 -6.315 1.00 11.42 C ATOM 303 C GLY A 22 9.743 1.307 -6.736 1.00 4.10 C ATOM 304 O GLY A 22 9.270 0.964 -7.821 1.00 42.43 O ATOM 0 H GLY A 22 11.863 0.929 -4.378 1.00 41.03 H new ATOM 0 HA2 GLY A 22 11.763 0.747 -7.184 1.00 11.42 H new ATOM 0 HA3 GLY A 22 10.977 -0.288 -6.009 1.00 11.42 H new ATOM 308 N LEU A 23 9.114 2.139 -5.896 1.00 34.50 N ATOM 309 CA LEU A 23 7.862 2.836 -6.180 1.00 33.41 C ATOM 310 C LEU A 23 7.964 3.625 -7.481 1.00 52.32 C ATOM 311 O LEU A 23 8.713 4.602 -7.563 1.00 70.11 O ATOM 312 CB LEU A 23 7.479 3.766 -5.016 1.00 34.52 C ATOM 313 CG LEU A 23 6.156 4.521 -5.295 1.00 41.43 C ATOM 314 CD1 LEU A 23 5.197 4.356 -4.122 1.00 23.30 C ATOM 315 CD2 LEU A 23 6.368 6.019 -5.547 1.00 71.35 C ATOM 0 H LEU A 23 9.480 2.350 -4.967 1.00 34.50 H new ATOM 0 HA LEU A 23 7.078 2.087 -6.294 1.00 33.41 H new ATOM 0 HB2 LEU A 23 7.378 3.181 -4.102 1.00 34.52 H new ATOM 0 HB3 LEU A 23 8.280 4.486 -4.847 1.00 34.52 H new ATOM 0 HG LEU A 23 5.737 4.082 -6.200 1.00 41.43 H new ATOM 0 HD11 LEU A 23 4.271 4.892 -4.331 1.00 23.30 H new ATOM 0 HD12 LEU A 23 4.979 3.298 -3.976 1.00 23.30 H new ATOM 0 HD13 LEU A 23 5.654 4.760 -3.219 1.00 23.30 H new ATOM 0 HD21 LEU A 23 5.406 6.496 -5.737 1.00 71.35 H new ATOM 0 HD22 LEU A 23 6.832 6.473 -4.671 1.00 71.35 H new ATOM 0 HD23 LEU A 23 7.017 6.154 -6.412 1.00 71.35 H new ATOM 327 N LYS A 24 7.174 3.237 -8.481 1.00 63.42 N ATOM 328 CA LYS A 24 7.097 3.901 -9.772 1.00 71.23 C ATOM 329 C LYS A 24 5.649 3.918 -10.222 1.00 71.34 C ATOM 330 O LYS A 24 5.092 2.857 -10.510 1.00 43.23 O ATOM 331 CB LYS A 24 7.987 3.173 -10.782 1.00 3.11 C ATOM 332 CG LYS A 24 9.479 3.425 -10.526 1.00 62.23 C ATOM 333 CD LYS A 24 10.322 2.786 -11.629 1.00 22.52 C ATOM 334 CE LYS A 24 11.788 3.178 -11.447 1.00 43.02 C ATOM 335 NZ LYS A 24 12.623 2.623 -12.527 1.00 22.21 N ATOM 0 H LYS A 24 6.555 2.430 -8.409 1.00 63.42 H new ATOM 0 HA LYS A 24 7.454 4.928 -9.695 1.00 71.23 H new ATOM 0 HB2 LYS A 24 7.788 2.102 -10.734 1.00 3.11 H new ATOM 0 HB3 LYS A 24 7.733 3.500 -11.790 1.00 3.11 H new ATOM 0 HG2 LYS A 24 9.672 4.497 -10.486 1.00 62.23 H new ATOM 0 HG3 LYS A 24 9.763 3.014 -9.557 1.00 62.23 H new ATOM 0 HD2 LYS A 24 10.219 1.701 -11.597 1.00 22.52 H new ATOM 0 HD3 LYS A 24 9.967 3.112 -12.607 1.00 22.52 H new ATOM 0 HE2 LYS A 24 11.878 4.264 -11.435 1.00 43.02 H new ATOM 0 HE3 LYS A 24 12.147 2.817 -10.483 1.00 43.02 H new ATOM 0 HZ1 LYS A 24 13.613 2.904 -12.379 1.00 22.21 H new ATOM 0 HZ2 LYS A 24 12.553 1.585 -12.522 1.00 22.21 H new ATOM 0 HZ3 LYS A 24 12.293 2.987 -13.443 1.00 22.21 H new ATOM 349 N ASN A 25 5.032 5.100 -10.282 1.00 2.44 N ATOM 350 CA ASN A 25 3.613 5.304 -10.582 1.00 40.01 C ATOM 351 C ASN A 25 2.745 4.355 -9.750 1.00 63.45 C ATOM 352 O ASN A 25 1.812 3.726 -10.256 1.00 4.01 O ATOM 353 CB ASN A 25 3.370 5.228 -12.102 1.00 75.23 C ATOM 354 CG ASN A 25 3.502 6.595 -12.745 1.00 40.13 C ATOM 355 OD1 ASN A 25 4.580 6.998 -13.170 1.00 75.42 O ATOM 356 ND2 ASN A 25 2.401 7.327 -12.811 1.00 14.44 N ATOM 0 H ASN A 25 5.527 5.976 -10.116 1.00 2.44 H new ATOM 0 HA ASN A 25 3.309 6.308 -10.286 1.00 40.01 H new ATOM 0 HB2 ASN A 25 4.084 4.540 -12.554 1.00 75.23 H new ATOM 0 HB3 ASN A 25 2.375 4.827 -12.295 1.00 75.23 H new ATOM 0 HD21 ASN A 25 2.432 8.258 -13.225 1.00 14.44 H new ATOM 0 HD22 ASN A 25 1.522 6.960 -12.447 1.00 14.44 H new ATOM 363 N GLY A 26 3.091 4.210 -8.469 1.00 22.30 N ATOM 364 CA GLY A 26 2.367 3.375 -7.530 1.00 23.34 C ATOM 365 C GLY A 26 2.483 1.879 -7.804 1.00 2.10 C ATOM 366 O GLY A 26 1.720 1.130 -7.204 1.00 52.14 O ATOM 0 H GLY A 26 3.896 4.680 -8.056 1.00 22.30 H new ATOM 0 HA2 GLY A 26 2.733 3.578 -6.524 1.00 23.34 H new ATOM 0 HA3 GLY A 26 1.314 3.656 -7.549 1.00 23.34 H new ATOM 370 N GLU A 27 3.352 1.424 -8.714 1.00 62.43 N ATOM 371 CA GLU A 27 3.734 0.020 -8.814 1.00 44.12 C ATOM 372 C GLU A 27 4.981 -0.189 -7.955 1.00 5.21 C ATOM 373 O GLU A 27 5.856 0.683 -7.915 1.00 74.24 O ATOM 374 CB GLU A 27 4.028 -0.368 -10.276 1.00 34.34 C ATOM 375 CG GLU A 27 3.812 -1.880 -10.480 1.00 23.10 C ATOM 376 CD GLU A 27 4.746 -2.520 -11.509 1.00 64.44 C ATOM 377 OE1 GLU A 27 5.970 -2.574 -11.245 1.00 44.41 O ATOM 378 OE2 GLU A 27 4.283 -3.060 -12.541 1.00 74.51 O ATOM 0 H GLU A 27 3.808 2.024 -9.401 1.00 62.43 H new ATOM 0 HA GLU A 27 2.916 -0.610 -8.465 1.00 44.12 H new ATOM 0 HB2 GLU A 27 3.377 0.193 -10.947 1.00 34.34 H new ATOM 0 HB3 GLU A 27 5.054 -0.102 -10.531 1.00 34.34 H new ATOM 0 HG2 GLU A 27 3.944 -2.386 -9.523 1.00 23.10 H new ATOM 0 HG3 GLU A 27 2.781 -2.049 -10.790 1.00 23.10 H new ATOM 385 N LEU A 28 5.072 -1.345 -7.300 1.00 44.43 N ATOM 386 CA LEU A 28 6.191 -1.805 -6.493 1.00 61.35 C ATOM 387 C LEU A 28 6.577 -3.176 -7.027 1.00 10.13 C ATOM 388 O LEU A 28 5.805 -4.132 -6.906 1.00 3.14 O ATOM 389 CB LEU A 28 5.790 -1.935 -5.012 1.00 70.33 C ATOM 390 CG LEU A 28 5.797 -0.667 -4.149 1.00 21.33 C ATOM 391 CD1 LEU A 28 7.209 -0.100 -4.008 1.00 4.02 C ATOM 392 CD2 LEU A 28 4.823 0.420 -4.608 1.00 64.45 C ATOM 0 H LEU A 28 4.314 -2.027 -7.323 1.00 44.43 H new ATOM 0 HA LEU A 28 7.015 -1.094 -6.552 1.00 61.35 H new ATOM 0 HB2 LEU A 28 4.787 -2.359 -4.974 1.00 70.33 H new ATOM 0 HB3 LEU A 28 6.460 -2.659 -4.547 1.00 70.33 H new ATOM 0 HG LEU A 28 5.438 -0.990 -3.172 1.00 21.33 H new ATOM 0 HD11 LEU A 28 7.181 0.798 -3.391 1.00 4.02 H new ATOM 0 HD12 LEU A 28 7.854 -0.843 -3.538 1.00 4.02 H new ATOM 0 HD13 LEU A 28 7.601 0.150 -4.994 1.00 4.02 H new ATOM 0 HD21 LEU A 28 4.895 1.279 -3.941 1.00 64.45 H new ATOM 0 HD22 LEU A 28 5.073 0.727 -5.623 1.00 64.45 H new ATOM 0 HD23 LEU A 28 3.806 0.029 -4.587 1.00 64.45 H new ATOM 404 N LYS A 29 7.758 -3.285 -7.637 1.00 33.32 N ATOM 405 CA LYS A 29 8.200 -4.579 -8.158 1.00 62.33 C ATOM 406 C LYS A 29 8.711 -5.451 -7.018 1.00 63.13 C ATOM 407 O LYS A 29 9.409 -4.946 -6.133 1.00 51.44 O ATOM 408 CB LYS A 29 9.296 -4.376 -9.209 1.00 62.11 C ATOM 409 CG LYS A 29 9.311 -5.507 -10.254 1.00 31.43 C ATOM 410 CD LYS A 29 8.746 -5.057 -11.606 1.00 4.12 C ATOM 411 CE LYS A 29 7.246 -5.304 -11.712 1.00 2.11 C ATOM 412 NZ LYS A 29 6.659 -4.652 -12.896 1.00 2.13 N ATOM 0 H LYS A 29 8.411 -2.515 -7.780 1.00 33.32 H new ATOM 0 HA LYS A 29 7.355 -5.081 -8.630 1.00 62.33 H new ATOM 0 HB2 LYS A 29 9.144 -3.421 -9.711 1.00 62.11 H new ATOM 0 HB3 LYS A 29 10.267 -4.326 -8.715 1.00 62.11 H new ATOM 0 HG2 LYS A 29 10.333 -5.860 -10.389 1.00 31.43 H new ATOM 0 HG3 LYS A 29 8.729 -6.350 -9.882 1.00 31.43 H new ATOM 0 HD2 LYS A 29 8.949 -3.995 -11.748 1.00 4.12 H new ATOM 0 HD3 LYS A 29 9.258 -5.589 -12.408 1.00 4.12 H new ATOM 0 HE2 LYS A 29 7.058 -6.377 -11.759 1.00 2.11 H new ATOM 0 HE3 LYS A 29 6.754 -4.933 -10.813 1.00 2.11 H new ATOM 0 HZ1 LYS A 29 5.693 -5.006 -13.044 1.00 2.13 H new ATOM 0 HZ2 LYS A 29 6.632 -3.623 -12.748 1.00 2.13 H new ATOM 0 HZ3 LYS A 29 7.238 -4.866 -13.733 1.00 2.13 H new ATOM 426 N VAL A 30 8.439 -6.747 -7.054 1.00 70.54 N ATOM 427 CA VAL A 30 8.896 -7.701 -6.063 1.00 52.22 C ATOM 428 C VAL A 30 9.269 -8.960 -6.829 1.00 62.55 C ATOM 429 O VAL A 30 8.559 -9.388 -7.743 1.00 44.31 O ATOM 430 CB VAL A 30 7.791 -7.947 -5.012 1.00 34.30 C ATOM 431 CG1 VAL A 30 8.366 -8.632 -3.771 1.00 10.34 C ATOM 432 CG2 VAL A 30 7.070 -6.687 -4.523 1.00 42.34 C ATOM 0 H VAL A 30 7.880 -7.172 -7.794 1.00 70.54 H new ATOM 0 HA VAL A 30 9.760 -7.339 -5.505 1.00 52.22 H new ATOM 0 HB VAL A 30 7.067 -8.570 -5.537 1.00 34.30 H new ATOM 0 HG11 VAL A 30 7.570 -8.796 -3.044 1.00 10.34 H new ATOM 0 HG12 VAL A 30 8.802 -9.590 -4.053 1.00 10.34 H new ATOM 0 HG13 VAL A 30 9.136 -7.999 -3.330 1.00 10.34 H new ATOM 0 HG21 VAL A 30 6.313 -6.963 -3.788 1.00 42.34 H new ATOM 0 HG22 VAL A 30 7.791 -6.010 -4.065 1.00 42.34 H new ATOM 0 HG23 VAL A 30 6.592 -6.190 -5.367 1.00 42.34 H new ATOM 442 N GLU A 31 10.408 -9.545 -6.477 1.00 41.11 N ATOM 443 CA GLU A 31 10.783 -10.836 -7.017 1.00 4.00 C ATOM 444 C GLU A 31 10.206 -11.935 -6.122 1.00 64.21 C ATOM 445 O GLU A 31 9.666 -11.658 -5.049 1.00 63.25 O ATOM 446 CB GLU A 31 12.300 -10.924 -7.192 1.00 32.44 C ATOM 447 CG GLU A 31 13.068 -10.955 -5.865 1.00 72.42 C ATOM 448 CD GLU A 31 14.567 -11.083 -6.132 1.00 41.25 C ATOM 449 OE1 GLU A 31 14.963 -12.086 -6.774 1.00 30.22 O ATOM 450 OE2 GLU A 31 15.319 -10.159 -5.747 1.00 61.13 O ATOM 0 H GLU A 31 11.081 -9.145 -5.823 1.00 41.11 H new ATOM 0 HA GLU A 31 10.362 -10.972 -8.013 1.00 4.00 H new ATOM 0 HB2 GLU A 31 12.540 -11.821 -7.763 1.00 32.44 H new ATOM 0 HB3 GLU A 31 12.640 -10.071 -7.780 1.00 32.44 H new ATOM 0 HG2 GLU A 31 12.868 -10.046 -5.298 1.00 72.42 H new ATOM 0 HG3 GLU A 31 12.726 -11.792 -5.257 1.00 72.42 H new ATOM 457 N ALA A 32 10.350 -13.192 -6.533 1.00 52.33 N ATOM 458 CA ALA A 32 9.703 -14.329 -5.897 1.00 34.52 C ATOM 459 C ALA A 32 10.130 -14.579 -4.444 1.00 53.12 C ATOM 460 O ALA A 32 9.522 -15.411 -3.784 1.00 23.53 O ATOM 461 CB ALA A 32 9.971 -15.560 -6.759 1.00 10.03 C ATOM 0 H ALA A 32 10.930 -13.450 -7.331 1.00 52.33 H new ATOM 0 HA ALA A 32 8.638 -14.107 -5.831 1.00 34.52 H new ATOM 0 HB1 ALA A 32 9.497 -16.431 -6.307 1.00 10.03 H new ATOM 0 HB2 ALA A 32 9.562 -15.402 -7.757 1.00 10.03 H new ATOM 0 HB3 ALA A 32 11.046 -15.728 -6.830 1.00 10.03 H new ATOM 467 N GLU A 33 11.146 -13.879 -3.946 1.00 13.21 N ATOM 468 CA GLU A 33 11.700 -13.991 -2.599 1.00 33.32 C ATOM 469 C GLU A 33 10.942 -13.074 -1.649 1.00 32.53 C ATOM 470 O GLU A 33 10.752 -13.403 -0.485 1.00 44.41 O ATOM 471 CB GLU A 33 13.151 -13.516 -2.614 1.00 64.11 C ATOM 472 CG GLU A 33 14.072 -14.293 -3.560 1.00 33.42 C ATOM 473 CD GLU A 33 14.572 -15.597 -2.932 1.00 1.21 C ATOM 474 OE1 GLU A 33 13.747 -16.485 -2.612 1.00 23.12 O ATOM 475 OE2 GLU A 33 15.798 -15.755 -2.734 1.00 44.02 O ATOM 0 H GLU A 33 11.633 -13.178 -4.504 1.00 13.21 H new ATOM 0 HA GLU A 33 11.623 -15.029 -2.276 1.00 33.32 H new ATOM 0 HB2 GLU A 33 13.171 -12.463 -2.894 1.00 64.11 H new ATOM 0 HB3 GLU A 33 13.551 -13.584 -1.602 1.00 64.11 H new ATOM 0 HG2 GLU A 33 13.538 -14.517 -4.483 1.00 33.42 H new ATOM 0 HG3 GLU A 33 14.925 -13.670 -3.829 1.00 33.42 H new ATOM 482 N GLY A 34 10.489 -11.932 -2.163 1.00 65.51 N ATOM 483 CA GLY A 34 9.871 -10.892 -1.375 1.00 61.12 C ATOM 484 C GLY A 34 10.920 -9.971 -0.749 1.00 30.30 C ATOM 485 O GLY A 34 12.111 -10.285 -0.720 1.00 51.13 O ATOM 0 H GLY A 34 10.547 -11.709 -3.157 1.00 65.51 H new ATOM 0 HA2 GLY A 34 9.199 -10.307 -2.003 1.00 61.12 H new ATOM 0 HA3 GLY A 34 9.263 -11.341 -0.590 1.00 61.12 H new ATOM 489 N GLY A 35 10.471 -8.818 -0.263 1.00 13.31 N ATOM 490 CA GLY A 35 11.288 -7.829 0.423 1.00 42.14 C ATOM 491 C GLY A 35 10.397 -6.844 1.178 1.00 23.21 C ATOM 492 O GLY A 35 9.165 -6.993 1.196 1.00 63.24 O ATOM 0 H GLY A 35 9.493 -8.539 -0.340 1.00 13.31 H new ATOM 0 HA2 GLY A 35 11.966 -8.325 1.118 1.00 42.14 H new ATOM 0 HA3 GLY A 35 11.906 -7.294 -0.298 1.00 42.14 H new ATOM 496 N SER A 36 11.003 -5.832 1.803 1.00 50.21 N ATOM 497 CA SER A 36 10.301 -4.869 2.646 1.00 43.41 C ATOM 498 C SER A 36 10.181 -3.500 1.969 1.00 24.22 C ATOM 499 O SER A 36 10.868 -3.207 0.983 1.00 51.22 O ATOM 500 CB SER A 36 11.010 -4.780 4.002 1.00 13.23 C ATOM 501 OG SER A 36 12.352 -4.349 3.861 1.00 51.43 O ATOM 0 H SER A 36 12.006 -5.659 1.736 1.00 50.21 H new ATOM 0 HA SER A 36 9.279 -5.214 2.805 1.00 43.41 H new ATOM 0 HB2 SER A 36 10.471 -4.089 4.650 1.00 13.23 H new ATOM 0 HB3 SER A 36 10.990 -5.755 4.489 1.00 13.23 H new ATOM 0 HG SER A 36 12.775 -4.301 4.744 1.00 51.43 H new ATOM 507 N SER A 37 9.311 -2.652 2.515 1.00 44.14 N ATOM 508 CA SER A 37 9.217 -1.234 2.220 1.00 5.32 C ATOM 509 C SER A 37 8.686 -0.471 3.448 1.00 21.44 C ATOM 510 O SER A 37 8.000 -1.056 4.296 1.00 1.41 O ATOM 511 CB SER A 37 8.340 -1.047 0.977 1.00 31.52 C ATOM 512 OG SER A 37 7.219 -1.916 0.939 1.00 71.13 O ATOM 0 H SER A 37 8.624 -2.954 3.206 1.00 44.14 H new ATOM 0 HA SER A 37 10.201 -0.819 2.001 1.00 5.32 H new ATOM 0 HB2 SER A 37 7.991 -0.015 0.940 1.00 31.52 H new ATOM 0 HB3 SER A 37 8.947 -1.210 0.086 1.00 31.52 H new ATOM 0 HG SER A 37 6.638 -1.668 0.190 1.00 71.13 H new ATOM 518 N LEU A 38 8.980 0.833 3.527 1.00 50.21 N ATOM 519 CA LEU A 38 8.584 1.774 4.580 1.00 41.02 C ATOM 520 C LEU A 38 8.053 3.037 3.894 1.00 52.15 C ATOM 521 O LEU A 38 8.652 3.475 2.909 1.00 44.24 O ATOM 522 CB LEU A 38 9.812 2.096 5.466 1.00 33.21 C ATOM 523 CG LEU A 38 9.527 3.102 6.602 1.00 51.33 C ATOM 524 CD1 LEU A 38 8.561 2.498 7.622 1.00 44.02 C ATOM 525 CD2 LEU A 38 10.773 3.547 7.371 1.00 1.02 C ATOM 0 H LEU A 38 9.540 1.289 2.806 1.00 50.21 H new ATOM 0 HA LEU A 38 7.810 1.352 5.221 1.00 41.02 H new ATOM 0 HB2 LEU A 38 10.184 1.169 5.902 1.00 33.21 H new ATOM 0 HB3 LEU A 38 10.607 2.493 4.835 1.00 33.21 H new ATOM 0 HG LEU A 38 9.104 3.973 6.102 1.00 51.33 H new ATOM 0 HD11 LEU A 38 8.371 3.221 8.416 1.00 44.02 H new ATOM 0 HD12 LEU A 38 7.622 2.246 7.129 1.00 44.02 H new ATOM 0 HD13 LEU A 38 9.000 1.597 8.049 1.00 44.02 H new ATOM 0 HD21 LEU A 38 10.487 4.253 8.151 1.00 1.02 H new ATOM 0 HD22 LEU A 38 11.250 2.678 7.825 1.00 1.02 H new ATOM 0 HD23 LEU A 38 11.471 4.028 6.686 1.00 1.02 H new ATOM 537 N PHE A 39 6.955 3.610 4.390 1.00 51.22 N ATOM 538 CA PHE A 39 6.207 4.706 3.781 1.00 5.11 C ATOM 539 C PHE A 39 5.686 5.651 4.881 1.00 30.42 C ATOM 540 O PHE A 39 4.741 5.295 5.594 1.00 4.00 O ATOM 541 CB PHE A 39 5.010 4.165 2.981 1.00 13.43 C ATOM 542 CG PHE A 39 5.256 3.163 1.873 1.00 72.24 C ATOM 543 CD1 PHE A 39 5.345 1.792 2.175 1.00 33.33 C ATOM 544 CD2 PHE A 39 5.223 3.578 0.528 1.00 52.15 C ATOM 545 CE1 PHE A 39 5.378 0.843 1.142 1.00 65.43 C ATOM 546 CE2 PHE A 39 5.266 2.627 -0.507 1.00 43.42 C ATOM 547 CZ PHE A 39 5.337 1.258 -0.201 1.00 31.22 C ATOM 0 H PHE A 39 6.544 3.305 5.272 1.00 51.22 H new ATOM 0 HA PHE A 39 6.873 5.245 3.108 1.00 5.11 H new ATOM 0 HB2 PHE A 39 4.321 3.707 3.691 1.00 13.43 H new ATOM 0 HB3 PHE A 39 4.495 5.020 2.542 1.00 13.43 H new ATOM 0 HD1 PHE A 39 5.388 1.469 3.205 1.00 33.33 H new ATOM 0 HD2 PHE A 39 5.164 4.630 0.290 1.00 52.15 H new ATOM 0 HE1 PHE A 39 5.435 -0.209 1.379 1.00 65.43 H new ATOM 0 HE2 PHE A 39 5.244 2.949 -1.538 1.00 43.42 H new ATOM 0 HZ PHE A 39 5.360 0.526 -0.995 1.00 31.22 H new ATOM 557 N ALA A 40 6.259 6.851 5.060 1.00 10.44 N ATOM 558 CA ALA A 40 5.858 7.778 6.136 1.00 25.11 C ATOM 559 C ALA A 40 5.007 8.909 5.587 1.00 63.41 C ATOM 560 O ALA A 40 5.521 9.720 4.816 1.00 4.31 O ATOM 561 CB ALA A 40 7.053 8.385 6.880 1.00 3.44 C ATOM 0 H ALA A 40 7.009 7.207 4.468 1.00 10.44 H new ATOM 0 HA ALA A 40 5.285 7.179 6.843 1.00 25.11 H new ATOM 0 HB1 ALA A 40 6.693 9.058 7.659 1.00 3.44 H new ATOM 0 HB2 ALA A 40 7.643 7.588 7.333 1.00 3.44 H new ATOM 0 HB3 ALA A 40 7.674 8.942 6.178 1.00 3.44 H new ATOM 567 N CYS A 41 3.730 8.984 5.956 1.00 22.33 N ATOM 568 CA CYS A 41 2.857 10.050 5.505 1.00 2.32 C ATOM 569 C CYS A 41 3.055 11.252 6.426 1.00 50.04 C ATOM 570 O CYS A 41 2.669 11.215 7.595 1.00 3.25 O ATOM 571 CB CYS A 41 1.403 9.587 5.474 1.00 43.00 C ATOM 572 SG CYS A 41 0.503 10.831 4.525 1.00 41.22 S ATOM 0 H CYS A 41 3.279 8.308 6.573 1.00 22.33 H new ATOM 0 HA CYS A 41 3.109 10.337 4.484 1.00 2.32 H new ATOM 0 HB2 CYS A 41 1.316 8.605 5.010 1.00 43.00 H new ATOM 0 HB3 CYS A 41 1.000 9.499 6.483 1.00 43.00 H new ATOM 0 HG CYS A 41 1.226 11.906 4.423 1.00 41.22 H new ATOM 578 N LYS A 42 3.688 12.317 5.929 1.00 32.14 N ATOM 579 CA LYS A 42 4.029 13.465 6.771 1.00 62.25 C ATOM 580 C LYS A 42 2.841 14.417 6.969 1.00 11.04 C ATOM 581 O LYS A 42 2.946 15.393 7.716 1.00 54.41 O ATOM 582 CB LYS A 42 5.186 14.225 6.118 1.00 50.44 C ATOM 583 CG LYS A 42 6.021 15.021 7.133 1.00 32.23 C ATOM 584 CD LYS A 42 6.788 16.191 6.513 1.00 33.12 C ATOM 585 CE LYS A 42 5.815 17.260 6.006 1.00 74.21 C ATOM 586 NZ LYS A 42 6.518 18.484 5.589 1.00 64.43 N ATOM 0 H LYS A 42 3.973 12.408 4.954 1.00 32.14 H new ATOM 0 HA LYS A 42 4.312 13.090 7.755 1.00 62.25 H new ATOM 0 HB2 LYS A 42 5.832 13.518 5.598 1.00 50.44 H new ATOM 0 HB3 LYS A 42 4.789 14.907 5.366 1.00 50.44 H new ATOM 0 HG2 LYS A 42 5.362 15.402 7.913 1.00 32.23 H new ATOM 0 HG3 LYS A 42 6.730 14.348 7.615 1.00 32.23 H new ATOM 0 HD2 LYS A 42 7.462 16.625 7.252 1.00 33.12 H new ATOM 0 HD3 LYS A 42 7.406 15.833 5.690 1.00 33.12 H new ATOM 0 HE2 LYS A 42 5.245 16.864 5.166 1.00 74.21 H new ATOM 0 HE3 LYS A 42 5.099 17.502 6.791 1.00 74.21 H new ATOM 0 HZ1 LYS A 42 5.826 19.184 5.252 1.00 64.43 H new ATOM 0 HZ2 LYS A 42 7.042 18.876 6.397 1.00 64.43 H new ATOM 0 HZ3 LYS A 42 7.183 18.258 4.822 1.00 64.43 H new ATOM 600 N ASN A 43 1.738 14.225 6.245 1.00 42.33 N ATOM 601 CA ASN A 43 0.685 15.228 6.115 1.00 74.44 C ATOM 602 C ASN A 43 -0.701 14.657 6.363 1.00 44.20 C ATOM 603 O ASN A 43 -1.660 15.425 6.376 1.00 13.12 O ATOM 604 CB ASN A 43 0.751 15.909 4.744 1.00 72.14 C ATOM 605 CG ASN A 43 0.293 15.006 3.609 1.00 50.21 C ATOM 606 OD1 ASN A 43 0.805 13.908 3.427 1.00 51.20 O ATOM 607 ND2 ASN A 43 -0.651 15.446 2.807 1.00 53.32 N ATOM 0 H ASN A 43 1.551 13.365 5.730 1.00 42.33 H new ATOM 0 HA ASN A 43 0.863 15.974 6.890 1.00 74.44 H new ATOM 0 HB2 ASN A 43 0.132 16.806 4.760 1.00 72.14 H new ATOM 0 HB3 ASN A 43 1.775 16.232 4.554 1.00 72.14 H new ATOM 0 HD21 ASN A 43 -0.964 14.872 2.024 1.00 53.32 H new ATOM 0 HD22 ASN A 43 -1.071 16.362 2.967 1.00 53.32 H new ATOM 614 N TYR A 44 -0.815 13.350 6.591 1.00 53.12 N ATOM 615 CA TYR A 44 -2.047 12.693 6.971 1.00 73.20 C ATOM 616 C TYR A 44 -1.676 11.572 7.946 1.00 34.54 C ATOM 617 O TYR A 44 -0.841 10.733 7.622 1.00 50.33 O ATOM 618 CB TYR A 44 -2.749 12.138 5.723 1.00 53.44 C ATOM 619 CG TYR A 44 -3.319 13.159 4.741 1.00 63.50 C ATOM 620 CD1 TYR A 44 -4.440 13.940 5.078 1.00 44.22 C ATOM 621 CD2 TYR A 44 -2.754 13.288 3.458 1.00 42.12 C ATOM 622 CE1 TYR A 44 -4.989 14.828 4.134 1.00 63.11 C ATOM 623 CE2 TYR A 44 -3.341 14.118 2.481 1.00 22.52 C ATOM 624 CZ TYR A 44 -4.464 14.894 2.820 1.00 73.20 C ATOM 625 OH TYR A 44 -5.024 15.732 1.901 1.00 12.43 O ATOM 0 H TYR A 44 -0.026 12.708 6.512 1.00 53.12 H new ATOM 0 HA TYR A 44 -2.739 13.388 7.448 1.00 73.20 H new ATOM 0 HB2 TYR A 44 -2.039 11.510 5.185 1.00 53.44 H new ATOM 0 HB3 TYR A 44 -3.563 11.491 6.051 1.00 53.44 H new ATOM 0 HD1 TYR A 44 -4.879 13.858 6.061 1.00 44.22 H new ATOM 0 HD2 TYR A 44 -1.854 12.741 3.218 1.00 42.12 H new ATOM 0 HE1 TYR A 44 -5.816 15.464 4.413 1.00 63.11 H new ATOM 0 HE2 TYR A 44 -2.932 14.158 1.482 1.00 22.52 H new ATOM 0 HH TYR A 44 -4.542 15.655 1.051 1.00 12.43 H new ATOM 635 N LYS A 45 -2.276 11.545 9.139 1.00 52.14 N ATOM 636 CA LYS A 45 -2.082 10.515 10.172 1.00 31.31 C ATOM 637 C LYS A 45 -3.408 9.864 10.546 1.00 24.55 C ATOM 638 O LYS A 45 -3.589 9.371 11.657 1.00 10.04 O ATOM 639 CB LYS A 45 -1.454 11.157 11.406 1.00 22.21 C ATOM 640 CG LYS A 45 -0.021 11.621 11.126 1.00 53.01 C ATOM 641 CD LYS A 45 0.091 13.133 10.971 1.00 41.14 C ATOM 642 CE LYS A 45 1.574 13.492 10.891 1.00 44.12 C ATOM 643 NZ LYS A 45 1.759 14.942 11.041 1.00 71.30 N ATOM 0 H LYS A 45 -2.937 12.267 9.426 1.00 52.14 H new ATOM 0 HA LYS A 45 -1.423 9.741 9.779 1.00 31.31 H new ATOM 0 HB2 LYS A 45 -2.058 12.007 11.723 1.00 22.21 H new ATOM 0 HB3 LYS A 45 -1.453 10.442 12.229 1.00 22.21 H new ATOM 0 HG2 LYS A 45 0.627 11.295 11.939 1.00 53.01 H new ATOM 0 HG3 LYS A 45 0.341 11.139 10.218 1.00 53.01 H new ATOM 0 HD2 LYS A 45 -0.430 13.463 10.072 1.00 41.14 H new ATOM 0 HD3 LYS A 45 -0.378 13.638 11.815 1.00 41.14 H new ATOM 0 HE2 LYS A 45 2.125 12.966 11.671 1.00 44.12 H new ATOM 0 HE3 LYS A 45 1.983 13.164 9.936 1.00 44.12 H new ATOM 0 HZ1 LYS A 45 2.772 15.170 10.984 1.00 71.30 H new ATOM 0 HZ2 LYS A 45 1.249 15.437 10.282 1.00 71.30 H new ATOM 0 HZ3 LYS A 45 1.387 15.246 11.963 1.00 71.30 H new ATOM 657 N SER A 46 -4.348 9.928 9.622 1.00 3.21 N ATOM 658 CA SER A 46 -5.725 9.553 9.827 1.00 10.31 C ATOM 659 C SER A 46 -6.123 8.645 8.672 1.00 25.25 C ATOM 660 O SER A 46 -7.070 8.943 7.943 1.00 51.02 O ATOM 661 CB SER A 46 -6.547 10.843 9.894 1.00 4.42 C ATOM 662 OG SER A 46 -6.130 11.701 10.938 1.00 70.20 O ATOM 0 H SER A 46 -4.161 10.256 8.674 1.00 3.21 H new ATOM 0 HA SER A 46 -5.895 9.006 10.754 1.00 10.31 H new ATOM 0 HB2 SER A 46 -6.468 11.369 8.943 1.00 4.42 H new ATOM 0 HB3 SER A 46 -7.599 10.592 10.033 1.00 4.42 H new ATOM 0 HG SER A 46 -6.684 12.510 10.938 1.00 70.20 H new ATOM 668 N PHE A 47 -5.322 7.608 8.419 1.00 1.12 N ATOM 669 CA PHE A 47 -5.502 6.742 7.269 1.00 5.43 C ATOM 670 C PHE A 47 -5.559 5.288 7.705 1.00 72.33 C ATOM 671 O PHE A 47 -5.052 4.915 8.772 1.00 70.44 O ATOM 672 CB PHE A 47 -4.426 7.026 6.209 1.00 22.22 C ATOM 673 CG PHE A 47 -3.020 6.582 6.556 1.00 30.44 C ATOM 674 CD1 PHE A 47 -2.139 7.445 7.234 1.00 32.22 C ATOM 675 CD2 PHE A 47 -2.584 5.301 6.177 1.00 5.32 C ATOM 676 CE1 PHE A 47 -0.835 7.015 7.540 1.00 42.02 C ATOM 677 CE2 PHE A 47 -1.276 4.881 6.462 1.00 25.51 C ATOM 678 CZ PHE A 47 -0.413 5.725 7.173 1.00 10.12 C ATOM 0 H PHE A 47 -4.532 7.351 9.011 1.00 1.12 H new ATOM 0 HA PHE A 47 -6.460 6.956 6.794 1.00 5.43 H new ATOM 0 HB2 PHE A 47 -4.721 6.538 5.280 1.00 22.22 H new ATOM 0 HB3 PHE A 47 -4.410 8.098 6.014 1.00 22.22 H new ATOM 0 HD1 PHE A 47 -2.463 8.435 7.519 1.00 32.22 H new ATOM 0 HD2 PHE A 47 -3.261 4.635 5.663 1.00 5.32 H new ATOM 0 HE1 PHE A 47 -0.157 7.677 8.058 1.00 42.02 H new ATOM 0 HE2 PHE A 47 -0.935 3.910 6.134 1.00 25.51 H new ATOM 0 HZ PHE A 47 0.577 5.385 7.439 1.00 10.12 H new ATOM 688 N TRP A 48 -6.201 4.475 6.871 1.00 32.14 N ATOM 689 CA TRP A 48 -6.461 3.077 7.144 1.00 12.11 C ATOM 690 C TRP A 48 -6.582 2.295 5.848 1.00 63.20 C ATOM 691 O TRP A 48 -6.795 2.854 4.773 1.00 3.02 O ATOM 692 CB TRP A 48 -7.755 2.943 7.953 1.00 23.53 C ATOM 693 CG TRP A 48 -8.973 3.592 7.375 1.00 43.42 C ATOM 694 CD1 TRP A 48 -9.728 3.074 6.384 1.00 63.11 C ATOM 695 CD2 TRP A 48 -9.608 4.850 7.743 1.00 1.31 C ATOM 696 NE1 TRP A 48 -10.795 3.909 6.128 1.00 65.54 N ATOM 697 CE2 TRP A 48 -10.801 4.996 6.975 1.00 12.01 C ATOM 698 CE3 TRP A 48 -9.313 5.874 8.666 1.00 32.21 C ATOM 699 CZ2 TRP A 48 -11.684 6.074 7.162 1.00 11.22 C ATOM 700 CZ3 TRP A 48 -10.183 6.966 8.842 1.00 22.54 C ATOM 701 CH2 TRP A 48 -11.373 7.069 8.103 1.00 22.55 C ATOM 0 H TRP A 48 -6.561 4.783 5.968 1.00 32.14 H new ATOM 0 HA TRP A 48 -5.628 2.671 7.719 1.00 12.11 H new ATOM 0 HB2 TRP A 48 -7.965 1.882 8.088 1.00 23.53 H new ATOM 0 HB3 TRP A 48 -7.583 3.362 8.944 1.00 23.53 H new ATOM 0 HD1 TRP A 48 -9.527 2.146 5.869 1.00 63.11 H new ATOM 0 HE1 TRP A 48 -11.493 3.743 5.403 1.00 65.54 H new ATOM 0 HE3 TRP A 48 -8.405 5.820 9.247 1.00 32.21 H new ATOM 0 HZ2 TRP A 48 -12.595 6.136 6.586 1.00 11.22 H new ATOM 0 HZ3 TRP A 48 -9.932 7.736 9.556 1.00 22.54 H new ATOM 0 HH2 TRP A 48 -12.041 7.904 8.257 1.00 22.55 H new ATOM 712 N ILE A 49 -6.496 0.981 5.998 1.00 10.42 N ATOM 713 CA ILE A 49 -6.754 -0.042 5.014 1.00 45.22 C ATOM 714 C ILE A 49 -8.277 -0.187 4.948 1.00 33.33 C ATOM 715 O ILE A 49 -8.882 -0.542 5.965 1.00 70.33 O ATOM 716 CB ILE A 49 -6.099 -1.355 5.488 1.00 44.42 C ATOM 717 CG1 ILE A 49 -4.612 -1.176 5.873 1.00 2.31 C ATOM 718 CG2 ILE A 49 -6.297 -2.463 4.436 1.00 12.21 C ATOM 719 CD1 ILE A 49 -3.639 -1.003 4.702 1.00 45.12 C ATOM 0 H ILE A 49 -6.219 0.576 6.892 1.00 10.42 H new ATOM 0 HA ILE A 49 -6.349 0.204 4.033 1.00 45.22 H new ATOM 0 HB ILE A 49 -6.604 -1.662 6.404 1.00 44.42 H new ATOM 0 HG12 ILE A 49 -4.526 -0.306 6.524 1.00 2.31 H new ATOM 0 HG13 ILE A 49 -4.300 -2.042 6.456 1.00 2.31 H new ATOM 0 HG21 ILE A 49 -5.829 -3.384 4.785 1.00 12.21 H new ATOM 0 HG22 ILE A 49 -7.363 -2.633 4.283 1.00 12.21 H new ATOM 0 HG23 ILE A 49 -5.839 -2.157 3.495 1.00 12.21 H new ATOM 0 HD11 ILE A 49 -2.625 -0.886 5.085 1.00 45.12 H new ATOM 0 HD12 ILE A 49 -3.684 -1.882 4.059 1.00 45.12 H new ATOM 0 HD13 ILE A 49 -3.914 -0.118 4.128 1.00 45.12 H new ATOM 731 N SER A 50 -8.916 0.052 3.799 1.00 21.43 N ATOM 732 CA SER A 50 -10.316 -0.358 3.616 1.00 24.14 C ATOM 733 C SER A 50 -10.609 -1.099 2.308 1.00 70.24 C ATOM 734 O SER A 50 -11.740 -1.543 2.105 1.00 32.55 O ATOM 735 CB SER A 50 -11.281 0.809 3.855 1.00 21.35 C ATOM 736 OG SER A 50 -12.250 0.487 4.844 1.00 54.01 O ATOM 0 H SER A 50 -8.498 0.518 2.994 1.00 21.43 H new ATOM 0 HA SER A 50 -10.493 -1.107 4.388 1.00 24.14 H new ATOM 0 HB2 SER A 50 -10.719 1.689 4.167 1.00 21.35 H new ATOM 0 HB3 SER A 50 -11.783 1.065 2.922 1.00 21.35 H new ATOM 0 HG SER A 50 -12.850 1.251 4.975 1.00 54.01 H new ATOM 742 N SER A 51 -9.615 -1.343 1.456 1.00 3.13 N ATOM 743 CA SER A 51 -9.678 -2.439 0.501 1.00 50.41 C ATOM 744 C SER A 51 -8.282 -3.010 0.308 1.00 21.23 C ATOM 745 O SER A 51 -7.281 -2.359 0.614 1.00 4.13 O ATOM 746 CB SER A 51 -10.313 -2.010 -0.829 1.00 71.32 C ATOM 747 OG SER A 51 -9.899 -0.734 -1.281 1.00 1.22 O ATOM 0 H SER A 51 -8.757 -0.794 1.410 1.00 3.13 H new ATOM 0 HA SER A 51 -10.327 -3.218 0.901 1.00 50.41 H new ATOM 0 HB2 SER A 51 -10.070 -2.750 -1.591 1.00 71.32 H new ATOM 0 HB3 SER A 51 -11.397 -2.011 -0.719 1.00 71.32 H new ATOM 0 HG SER A 51 -9.033 -0.510 -0.880 1.00 1.22 H new ATOM 753 N VAL A 52 -8.232 -4.233 -0.202 1.00 64.43 N ATOM 754 CA VAL A 52 -7.014 -4.942 -0.520 1.00 53.43 C ATOM 755 C VAL A 52 -7.392 -5.947 -1.607 1.00 45.24 C ATOM 756 O VAL A 52 -8.457 -6.568 -1.530 1.00 1.33 O ATOM 757 CB VAL A 52 -6.421 -5.559 0.772 1.00 1.00 C ATOM 758 CG1 VAL A 52 -7.424 -6.397 1.582 1.00 22.24 C ATOM 759 CG2 VAL A 52 -5.172 -6.403 0.491 1.00 70.22 C ATOM 0 H VAL A 52 -9.072 -4.772 -0.411 1.00 64.43 H new ATOM 0 HA VAL A 52 -6.217 -4.306 -0.905 1.00 53.43 H new ATOM 0 HB VAL A 52 -6.148 -4.696 1.379 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -6.933 -6.794 2.470 1.00 22.24 H new ATOM 0 HG12 VAL A 52 -8.264 -5.770 1.881 1.00 22.24 H new ATOM 0 HG13 VAL A 52 -7.787 -7.222 0.969 1.00 22.24 H new ATOM 0 HG21 VAL A 52 -4.793 -6.814 1.426 1.00 70.22 H new ATOM 0 HG22 VAL A 52 -5.428 -7.218 -0.186 1.00 70.22 H new ATOM 0 HG23 VAL A 52 -4.406 -5.778 0.033 1.00 70.22 H new ATOM 769 N LYS A 53 -6.532 -6.116 -2.614 1.00 22.50 N ATOM 770 CA LYS A 53 -6.589 -7.240 -3.550 1.00 62.41 C ATOM 771 C LYS A 53 -5.275 -7.990 -3.422 1.00 70.12 C ATOM 772 O LYS A 53 -4.283 -7.353 -3.085 1.00 4.21 O ATOM 773 CB LYS A 53 -6.915 -6.758 -4.984 1.00 21.33 C ATOM 774 CG LYS A 53 -5.787 -6.484 -6.002 1.00 25.43 C ATOM 775 CD LYS A 53 -6.417 -6.095 -7.361 1.00 63.54 C ATOM 776 CE LYS A 53 -7.069 -4.704 -7.387 1.00 72.31 C ATOM 777 NZ LYS A 53 -7.933 -4.478 -8.575 1.00 31.12 N ATOM 0 H LYS A 53 -5.767 -5.468 -2.804 1.00 22.50 H new ATOM 0 HA LYS A 53 -7.402 -7.926 -3.312 1.00 62.41 H new ATOM 0 HB2 LYS A 53 -7.575 -7.503 -5.430 1.00 21.33 H new ATOM 0 HB3 LYS A 53 -7.491 -5.838 -4.889 1.00 21.33 H new ATOM 0 HG2 LYS A 53 -5.142 -5.682 -5.643 1.00 25.43 H new ATOM 0 HG3 LYS A 53 -5.161 -7.369 -6.117 1.00 25.43 H new ATOM 0 HD2 LYS A 53 -5.645 -6.135 -8.129 1.00 63.54 H new ATOM 0 HD3 LYS A 53 -7.168 -6.839 -7.625 1.00 63.54 H new ATOM 0 HE2 LYS A 53 -7.665 -4.574 -6.484 1.00 72.31 H new ATOM 0 HE3 LYS A 53 -6.288 -3.944 -7.366 1.00 72.31 H new ATOM 0 HZ1 LYS A 53 -8.341 -3.522 -8.531 1.00 31.12 H new ATOM 0 HZ2 LYS A 53 -7.364 -4.572 -9.441 1.00 31.12 H new ATOM 0 HZ3 LYS A 53 -8.699 -5.181 -8.586 1.00 31.12 H new ATOM 791 N GLU A 54 -5.254 -9.297 -3.683 1.00 21.21 N ATOM 792 CA GLU A 54 -4.020 -10.102 -3.696 1.00 23.33 C ATOM 793 C GLU A 54 -3.942 -11.033 -4.908 1.00 5.04 C ATOM 794 O GLU A 54 -2.877 -11.541 -5.259 1.00 5.03 O ATOM 795 CB GLU A 54 -3.835 -10.851 -2.366 1.00 41.14 C ATOM 796 CG GLU A 54 -4.715 -12.076 -2.087 1.00 30.43 C ATOM 797 CD GLU A 54 -4.280 -12.740 -0.768 1.00 42.35 C ATOM 798 OE1 GLU A 54 -3.229 -13.423 -0.760 1.00 11.00 O ATOM 799 OE2 GLU A 54 -4.978 -12.551 0.258 1.00 31.32 O ATOM 0 H GLU A 54 -6.094 -9.836 -3.893 1.00 21.21 H new ATOM 0 HA GLU A 54 -3.183 -9.412 -3.799 1.00 23.33 H new ATOM 0 HB2 GLU A 54 -2.794 -11.170 -2.307 1.00 41.14 H new ATOM 0 HB3 GLU A 54 -3.995 -10.137 -1.558 1.00 41.14 H new ATOM 0 HG2 GLU A 54 -5.762 -11.777 -2.027 1.00 30.43 H new ATOM 0 HG3 GLU A 54 -4.633 -12.789 -2.908 1.00 30.43 H new ATOM 806 N GLU A 55 -5.085 -11.222 -5.565 1.00 43.04 N ATOM 807 CA GLU A 55 -5.325 -12.229 -6.587 1.00 33.13 C ATOM 808 C GLU A 55 -6.332 -11.692 -7.606 1.00 21.23 C ATOM 809 O GLU A 55 -7.203 -12.398 -8.105 1.00 14.01 O ATOM 810 CB GLU A 55 -5.769 -13.525 -5.910 1.00 62.23 C ATOM 811 CG GLU A 55 -7.035 -13.387 -5.053 1.00 54.32 C ATOM 812 CD GLU A 55 -7.227 -14.548 -4.078 1.00 70.55 C ATOM 813 OE1 GLU A 55 -6.863 -15.700 -4.408 1.00 52.31 O ATOM 814 OE2 GLU A 55 -7.822 -14.337 -3.000 1.00 31.10 O ATOM 0 H GLU A 55 -5.908 -10.646 -5.387 1.00 43.04 H new ATOM 0 HA GLU A 55 -4.416 -12.455 -7.143 1.00 33.13 H new ATOM 0 HB2 GLU A 55 -5.943 -14.280 -6.676 1.00 62.23 H new ATOM 0 HB3 GLU A 55 -4.957 -13.890 -5.282 1.00 62.23 H new ATOM 0 HG2 GLU A 55 -6.987 -12.453 -4.492 1.00 54.32 H new ATOM 0 HG3 GLU A 55 -7.904 -13.322 -5.707 1.00 54.32 H new ATOM 821 N GLY A 56 -6.255 -10.390 -7.851 1.00 53.22 N ATOM 822 CA GLY A 56 -7.094 -9.650 -8.786 1.00 1.44 C ATOM 823 C GLY A 56 -8.498 -9.325 -8.265 1.00 34.54 C ATOM 824 O GLY A 56 -9.139 -8.438 -8.828 1.00 1.21 O ATOM 0 H GLY A 56 -5.574 -9.793 -7.381 1.00 53.22 H new ATOM 0 HA2 GLY A 56 -6.592 -8.718 -9.044 1.00 1.44 H new ATOM 0 HA3 GLY A 56 -7.187 -10.228 -9.706 1.00 1.44 H new ATOM 828 N LYS A 57 -8.977 -9.954 -7.182 1.00 44.22 N ATOM 829 CA LYS A 57 -10.261 -9.613 -6.554 1.00 30.54 C ATOM 830 C LYS A 57 -10.039 -8.931 -5.219 1.00 33.22 C ATOM 831 O LYS A 57 -9.037 -9.210 -4.553 1.00 52.13 O ATOM 832 CB LYS A 57 -11.161 -10.847 -6.376 1.00 23.54 C ATOM 833 CG LYS A 57 -10.490 -12.012 -5.619 1.00 54.44 C ATOM 834 CD LYS A 57 -11.392 -12.642 -4.549 1.00 64.20 C ATOM 835 CE LYS A 57 -10.593 -13.750 -3.862 1.00 13.02 C ATOM 836 NZ LYS A 57 -11.342 -14.465 -2.810 1.00 64.13 N ATOM 0 H LYS A 57 -8.483 -10.715 -6.716 1.00 44.22 H new ATOM 0 HA LYS A 57 -10.774 -8.924 -7.225 1.00 30.54 H new ATOM 0 HB2 LYS A 57 -12.063 -10.551 -5.840 1.00 23.54 H new ATOM 0 HB3 LYS A 57 -11.475 -11.199 -7.359 1.00 23.54 H new ATOM 0 HG2 LYS A 57 -10.197 -12.780 -6.335 1.00 54.44 H new ATOM 0 HG3 LYS A 57 -9.576 -11.651 -5.147 1.00 54.44 H new ATOM 0 HD2 LYS A 57 -11.707 -11.892 -3.824 1.00 64.20 H new ATOM 0 HD3 LYS A 57 -12.297 -13.047 -5.002 1.00 64.20 H new ATOM 0 HE2 LYS A 57 -10.267 -14.469 -4.614 1.00 13.02 H new ATOM 0 HE3 LYS A 57 -9.694 -13.317 -3.423 1.00 13.02 H new ATOM 0 HZ1 LYS A 57 -10.737 -15.200 -2.391 1.00 64.13 H new ATOM 0 HZ2 LYS A 57 -11.631 -13.792 -2.072 1.00 64.13 H new ATOM 0 HZ3 LYS A 57 -12.187 -14.908 -3.225 1.00 64.13 H new ATOM 850 N PHE A 58 -10.984 -8.082 -4.813 1.00 10.05 N ATOM 851 CA PHE A 58 -11.024 -7.607 -3.436 1.00 25.34 C ATOM 852 C PHE A 58 -11.478 -8.759 -2.541 1.00 4.23 C ATOM 853 O PHE A 58 -12.192 -9.662 -2.985 1.00 32.53 O ATOM 854 CB PHE A 58 -11.962 -6.397 -3.266 1.00 4.45 C ATOM 855 CG PHE A 58 -11.465 -5.024 -3.706 1.00 1.14 C ATOM 856 CD1 PHE A 58 -10.286 -4.853 -4.461 1.00 61.23 C ATOM 857 CD2 PHE A 58 -12.204 -3.887 -3.323 1.00 3.43 C ATOM 858 CE1 PHE A 58 -9.847 -3.564 -4.816 1.00 44.02 C ATOM 859 CE2 PHE A 58 -11.777 -2.599 -3.691 1.00 62.33 C ATOM 860 CZ PHE A 58 -10.596 -2.437 -4.434 1.00 65.53 C ATOM 0 H PHE A 58 -11.723 -7.715 -5.413 1.00 10.05 H new ATOM 0 HA PHE A 58 -10.026 -7.272 -3.153 1.00 25.34 H new ATOM 0 HB2 PHE A 58 -12.880 -6.609 -3.815 1.00 4.45 H new ATOM 0 HB3 PHE A 58 -12.230 -6.330 -2.211 1.00 4.45 H new ATOM 0 HD1 PHE A 58 -9.716 -5.717 -4.769 1.00 61.23 H new ATOM 0 HD2 PHE A 58 -13.106 -4.006 -2.742 1.00 3.43 H new ATOM 0 HE1 PHE A 58 -8.935 -3.440 -5.382 1.00 44.02 H new ATOM 0 HE2 PHE A 58 -12.357 -1.735 -3.403 1.00 62.33 H new ATOM 0 HZ PHE A 58 -10.264 -1.448 -4.712 1.00 65.53 H new ATOM 870 N LYS A 59 -11.097 -8.692 -1.268 1.00 64.43 N ATOM 871 CA LYS A 59 -11.584 -9.547 -0.190 1.00 41.10 C ATOM 872 C LYS A 59 -12.172 -8.681 0.927 1.00 23.51 C ATOM 873 O LYS A 59 -12.240 -7.455 0.784 1.00 23.25 O ATOM 874 CB LYS A 59 -10.465 -10.484 0.297 1.00 73.11 C ATOM 875 CG LYS A 59 -9.301 -9.723 0.951 1.00 22.55 C ATOM 876 CD LYS A 59 -8.569 -10.569 1.994 1.00 24.44 C ATOM 877 CE LYS A 59 -7.560 -11.505 1.338 1.00 64.43 C ATOM 878 NZ LYS A 59 -6.876 -12.458 2.241 1.00 61.31 N ATOM 0 H LYS A 59 -10.410 -8.010 -0.946 1.00 64.43 H new ATOM 0 HA LYS A 59 -12.386 -10.190 -0.554 1.00 41.10 H new ATOM 0 HB2 LYS A 59 -10.877 -11.195 1.013 1.00 73.11 H new ATOM 0 HB3 LYS A 59 -10.088 -11.063 -0.546 1.00 73.11 H new ATOM 0 HG2 LYS A 59 -8.596 -9.409 0.181 1.00 22.55 H new ATOM 0 HG3 LYS A 59 -9.681 -8.817 1.423 1.00 22.55 H new ATOM 0 HD2 LYS A 59 -8.057 -9.916 2.701 1.00 24.44 H new ATOM 0 HD3 LYS A 59 -9.292 -11.152 2.565 1.00 24.44 H new ATOM 0 HE2 LYS A 59 -8.073 -12.074 0.563 1.00 64.43 H new ATOM 0 HE3 LYS A 59 -6.803 -10.899 0.840 1.00 64.43 H new ATOM 0 HZ1 LYS A 59 -5.985 -12.771 1.805 1.00 61.31 H new ATOM 0 HZ2 LYS A 59 -6.673 -11.992 3.148 1.00 61.31 H new ATOM 0 HZ3 LYS A 59 -7.489 -13.282 2.405 1.00 61.31 H new ATOM 892 N GLU A 60 -12.567 -9.319 2.025 1.00 3.01 N ATOM 893 CA GLU A 60 -13.025 -8.661 3.245 1.00 32.11 C ATOM 894 C GLU A 60 -11.811 -8.378 4.136 1.00 71.22 C ATOM 895 O GLU A 60 -10.726 -8.922 3.909 1.00 43.20 O ATOM 896 CB GLU A 60 -14.056 -9.558 3.963 1.00 65.11 C ATOM 897 CG GLU A 60 -15.489 -9.419 3.483 1.00 70.53 C ATOM 898 CD GLU A 60 -16.212 -8.125 3.886 1.00 32.23 C ATOM 899 OE1 GLU A 60 -15.567 -7.066 4.057 1.00 74.22 O ATOM 900 OE2 GLU A 60 -17.462 -8.123 3.970 1.00 25.35 O ATOM 0 H GLU A 60 -12.578 -10.337 2.093 1.00 3.01 H new ATOM 0 HA GLU A 60 -13.514 -7.716 3.010 1.00 32.11 H new ATOM 0 HB2 GLU A 60 -13.751 -10.598 3.846 1.00 65.11 H new ATOM 0 HB3 GLU A 60 -14.025 -9.335 5.030 1.00 65.11 H new ATOM 0 HG2 GLU A 60 -15.496 -9.492 2.395 1.00 70.53 H new ATOM 0 HG3 GLU A 60 -16.062 -10.265 3.862 1.00 70.53 H new ATOM 907 N ASN A 61 -11.988 -7.544 5.158 1.00 61.13 N ATOM 908 CA ASN A 61 -10.937 -7.083 6.056 1.00 72.23 C ATOM 909 C ASN A 61 -11.059 -7.837 7.386 1.00 74.14 C ATOM 910 O ASN A 61 -11.811 -8.807 7.489 1.00 4.04 O ATOM 911 CB ASN A 61 -11.057 -5.552 6.218 1.00 53.04 C ATOM 912 CG ASN A 61 -9.720 -4.877 6.508 1.00 71.33 C ATOM 913 OD1 ASN A 61 -8.807 -5.477 7.077 1.00 42.24 O ATOM 914 ND2 ASN A 61 -9.560 -3.628 6.117 1.00 30.51 N ATOM 0 H ASN A 61 -12.903 -7.157 5.390 1.00 61.13 H new ATOM 0 HA ASN A 61 -9.945 -7.290 5.654 1.00 72.23 H new ATOM 0 HB2 ASN A 61 -11.482 -5.128 5.308 1.00 53.04 H new ATOM 0 HB3 ASN A 61 -11.752 -5.331 7.028 1.00 53.04 H new ATOM 0 HD21 ASN A 61 -8.674 -3.150 6.285 1.00 30.51 H new ATOM 0 HD22 ASN A 61 -10.322 -3.139 5.647 1.00 30.51 H new ATOM 921 N THR A 62 -10.296 -7.435 8.397 1.00 4.41 N ATOM 922 CA THR A 62 -10.457 -7.866 9.786 1.00 65.53 C ATOM 923 C THR A 62 -9.885 -6.834 10.778 1.00 43.04 C ATOM 924 O THR A 62 -9.921 -7.039 11.994 1.00 61.34 O ATOM 925 CB THR A 62 -9.879 -9.288 9.937 1.00 12.45 C ATOM 926 OG1 THR A 62 -10.240 -9.907 11.148 1.00 53.32 O ATOM 927 CG2 THR A 62 -8.365 -9.302 9.775 1.00 30.23 C ATOM 0 H THR A 62 -9.524 -6.780 8.271 1.00 4.41 H new ATOM 0 HA THR A 62 -11.515 -7.918 10.043 1.00 65.53 H new ATOM 0 HB THR A 62 -10.325 -9.869 9.130 1.00 12.45 H new ATOM 0 HG1 THR A 62 -10.287 -9.233 11.858 1.00 53.32 H new ATOM 0 HG21 THR A 62 -7.996 -10.322 9.888 1.00 30.23 H new ATOM 0 HG22 THR A 62 -8.101 -8.929 8.785 1.00 30.23 H new ATOM 0 HG23 THR A 62 -7.912 -8.666 10.535 1.00 30.23 H new ATOM 935 N SER A 63 -9.336 -5.727 10.278 1.00 51.12 N ATOM 936 CA SER A 63 -8.800 -4.607 11.037 1.00 30.52 C ATOM 937 C SER A 63 -8.939 -3.362 10.151 1.00 42.04 C ATOM 938 O SER A 63 -9.642 -3.401 9.139 1.00 30.31 O ATOM 939 CB SER A 63 -7.355 -4.938 11.467 1.00 51.31 C ATOM 940 OG SER A 63 -6.798 -3.980 12.355 1.00 12.24 O ATOM 0 H SER A 63 -9.251 -5.584 9.272 1.00 51.12 H new ATOM 0 HA SER A 63 -9.339 -4.412 11.964 1.00 30.52 H new ATOM 0 HB2 SER A 63 -7.341 -5.917 11.946 1.00 51.31 H new ATOM 0 HB3 SER A 63 -6.727 -5.008 10.579 1.00 51.31 H new ATOM 0 HG SER A 63 -5.885 -4.245 12.592 1.00 12.24 H new ATOM 946 N TYR A 64 -8.301 -2.257 10.528 1.00 64.41 N ATOM 947 CA TYR A 64 -8.174 -1.048 9.706 1.00 33.52 C ATOM 948 C TYR A 64 -6.718 -0.613 9.546 1.00 11.32 C ATOM 949 O TYR A 64 -6.384 0.247 8.736 1.00 30.22 O ATOM 950 CB TYR A 64 -9.013 0.070 10.338 1.00 41.13 C ATOM 951 CG TYR A 64 -10.504 -0.143 10.198 1.00 73.30 C ATOM 952 CD1 TYR A 64 -11.095 -0.094 8.921 1.00 63.14 C ATOM 953 CD2 TYR A 64 -11.295 -0.417 11.329 1.00 13.35 C ATOM 954 CE1 TYR A 64 -12.475 -0.306 8.769 1.00 3.12 C ATOM 955 CE2 TYR A 64 -12.674 -0.642 11.184 1.00 72.30 C ATOM 956 CZ TYR A 64 -13.271 -0.577 9.905 1.00 32.41 C ATOM 957 OH TYR A 64 -14.610 -0.791 9.792 1.00 50.24 O ATOM 0 H TYR A 64 -7.845 -2.171 11.436 1.00 64.41 H new ATOM 0 HA TYR A 64 -8.543 -1.267 8.704 1.00 33.52 H new ATOM 0 HB2 TYR A 64 -8.763 0.148 11.396 1.00 41.13 H new ATOM 0 HB3 TYR A 64 -8.745 1.020 9.876 1.00 41.13 H new ATOM 0 HD1 TYR A 64 -10.484 0.108 8.054 1.00 63.14 H new ATOM 0 HD2 TYR A 64 -10.842 -0.454 12.309 1.00 13.35 H new ATOM 0 HE1 TYR A 64 -12.926 -0.262 7.789 1.00 3.12 H new ATOM 0 HE2 TYR A 64 -13.278 -0.865 12.051 1.00 72.30 H new ATOM 0 HH TYR A 64 -14.990 -0.963 10.679 1.00 50.24 H new ATOM 967 N LYS A 65 -5.822 -1.199 10.323 1.00 61.33 N ATOM 968 CA LYS A 65 -4.464 -0.716 10.537 1.00 74.24 C ATOM 969 C LYS A 65 -3.453 -1.742 10.074 1.00 12.23 C ATOM 970 O LYS A 65 -2.260 -1.461 10.072 1.00 1.21 O ATOM 971 CB LYS A 65 -4.278 -0.374 12.027 1.00 62.31 C ATOM 972 CG LYS A 65 -4.899 -1.430 12.960 1.00 50.42 C ATOM 973 CD LYS A 65 -4.747 -1.065 14.433 1.00 50.00 C ATOM 974 CE LYS A 65 -5.688 -1.889 15.316 1.00 70.31 C ATOM 975 NZ LYS A 65 -7.118 -1.592 15.083 1.00 45.10 N ATOM 0 H LYS A 65 -6.025 -2.054 10.841 1.00 61.33 H new ATOM 0 HA LYS A 65 -4.300 0.186 9.947 1.00 74.24 H new ATOM 0 HB2 LYS A 65 -3.214 -0.283 12.245 1.00 62.31 H new ATOM 0 HB3 LYS A 65 -4.729 0.597 12.232 1.00 62.31 H new ATOM 0 HG2 LYS A 65 -5.957 -1.543 12.724 1.00 50.42 H new ATOM 0 HG3 LYS A 65 -4.427 -2.395 12.777 1.00 50.42 H new ATOM 0 HD2 LYS A 65 -3.716 -1.230 14.745 1.00 50.00 H new ATOM 0 HD3 LYS A 65 -4.955 -0.004 14.569 1.00 50.00 H new ATOM 0 HE2 LYS A 65 -5.510 -2.949 15.135 1.00 70.31 H new ATOM 0 HE3 LYS A 65 -5.451 -1.700 16.363 1.00 70.31 H new ATOM 0 HZ1 LYS A 65 -7.677 -1.918 15.897 1.00 45.10 H new ATOM 0 HZ2 LYS A 65 -7.245 -0.567 14.964 1.00 45.10 H new ATOM 0 HZ3 LYS A 65 -7.439 -2.082 14.224 1.00 45.10 H new ATOM 989 N GLU A 66 -3.900 -2.942 9.730 1.00 4.30 N ATOM 990 CA GLU A 66 -3.040 -4.091 9.705 1.00 24.43 C ATOM 991 C GLU A 66 -3.728 -5.130 8.845 1.00 2.14 C ATOM 992 O GLU A 66 -4.937 -5.345 8.971 1.00 4.11 O ATOM 993 CB GLU A 66 -2.874 -4.545 11.161 1.00 73.23 C ATOM 994 CG GLU A 66 -2.001 -5.775 11.392 1.00 33.31 C ATOM 995 CD GLU A 66 -1.861 -5.987 12.902 1.00 13.20 C ATOM 996 OE1 GLU A 66 -2.897 -6.227 13.560 1.00 51.31 O ATOM 997 OE2 GLU A 66 -0.743 -5.826 13.447 1.00 65.25 O ATOM 0 H GLU A 66 -4.866 -3.134 9.464 1.00 4.30 H new ATOM 0 HA GLU A 66 -2.051 -3.901 9.288 1.00 24.43 H new ATOM 0 HB2 GLU A 66 -2.455 -3.716 11.732 1.00 73.23 H new ATOM 0 HB3 GLU A 66 -3.864 -4.746 11.571 1.00 73.23 H new ATOM 0 HG2 GLU A 66 -2.449 -6.652 10.925 1.00 33.31 H new ATOM 0 HG3 GLU A 66 -1.021 -5.637 10.935 1.00 33.31 H new ATOM 1004 N PHE A 67 -2.984 -5.738 7.934 1.00 31.31 N ATOM 1005 CA PHE A 67 -3.515 -6.737 7.036 1.00 52.44 C ATOM 1006 C PHE A 67 -2.445 -7.798 6.859 1.00 11.22 C ATOM 1007 O PHE A 67 -1.381 -7.514 6.310 1.00 65.13 O ATOM 1008 CB PHE A 67 -3.944 -6.103 5.706 1.00 72.22 C ATOM 1009 CG PHE A 67 -4.444 -7.164 4.760 1.00 71.21 C ATOM 1010 CD1 PHE A 67 -3.535 -7.809 3.899 1.00 73.24 C ATOM 1011 CD2 PHE A 67 -5.767 -7.626 4.878 1.00 14.30 C ATOM 1012 CE1 PHE A 67 -3.943 -8.929 3.163 1.00 33.40 C ATOM 1013 CE2 PHE A 67 -6.165 -8.757 4.147 1.00 65.44 C ATOM 1014 CZ PHE A 67 -5.258 -9.389 3.278 1.00 71.24 C ATOM 0 H PHE A 67 -1.991 -5.547 7.801 1.00 31.31 H new ATOM 0 HA PHE A 67 -4.414 -7.197 7.446 1.00 52.44 H new ATOM 0 HB2 PHE A 67 -4.727 -5.365 5.882 1.00 72.22 H new ATOM 0 HB3 PHE A 67 -3.102 -5.574 5.259 1.00 72.22 H new ATOM 0 HD1 PHE A 67 -2.524 -7.440 3.806 1.00 73.24 H new ATOM 0 HD2 PHE A 67 -6.468 -7.117 5.523 1.00 14.30 H new ATOM 0 HE1 PHE A 67 -3.246 -9.434 2.511 1.00 33.40 H new ATOM 0 HE2 PHE A 67 -7.169 -9.142 4.252 1.00 65.44 H new ATOM 0 HZ PHE A 67 -5.580 -10.238 2.694 1.00 71.24 H new ATOM 1024 N ASP A 68 -2.714 -9.004 7.341 1.00 13.43 N ATOM 1025 CA ASP A 68 -1.921 -10.186 7.107 1.00 34.10 C ATOM 1026 C ASP A 68 -2.648 -11.066 6.093 1.00 12.32 C ATOM 1027 O ASP A 68 -3.777 -11.502 6.311 1.00 25.13 O ATOM 1028 CB ASP A 68 -1.573 -10.898 8.424 1.00 70.33 C ATOM 1029 CG ASP A 68 -2.676 -11.215 9.439 1.00 10.30 C ATOM 1030 OD1 ASP A 68 -3.892 -11.217 9.145 1.00 73.34 O ATOM 1031 OD2 ASP A 68 -2.326 -11.451 10.616 1.00 53.43 O ATOM 0 H ASP A 68 -3.527 -9.184 7.930 1.00 13.43 H new ATOM 0 HA ASP A 68 -0.955 -9.920 6.678 1.00 34.10 H new ATOM 0 HB2 ASP A 68 -1.090 -11.840 8.165 1.00 70.33 H new ATOM 0 HB3 ASP A 68 -0.828 -10.288 8.935 1.00 70.33 H new ATOM 1036 N GLY A 69 -2.001 -11.296 4.953 1.00 10.10 N ATOM 1037 CA GLY A 69 -2.413 -12.245 3.922 1.00 3.34 C ATOM 1038 C GLY A 69 -1.446 -13.424 3.884 1.00 64.52 C ATOM 1039 O GLY A 69 -1.217 -14.001 2.822 1.00 25.44 O ATOM 0 H GLY A 69 -1.139 -10.806 4.712 1.00 10.10 H new ATOM 0 HA2 GLY A 69 -3.424 -12.599 4.125 1.00 3.34 H new ATOM 0 HA3 GLY A 69 -2.437 -11.752 2.950 1.00 3.34 H new ATOM 1043 N GLY A 70 -0.810 -13.730 5.019 1.00 42.22 N ATOM 1044 CA GLY A 70 0.198 -14.760 5.182 1.00 45.14 C ATOM 1045 C GLY A 70 1.504 -14.344 4.524 1.00 71.15 C ATOM 1046 O GLY A 70 2.422 -13.868 5.194 1.00 12.12 O ATOM 0 H GLY A 70 -1.001 -13.234 5.890 1.00 42.22 H new ATOM 0 HA2 GLY A 70 0.364 -14.949 6.243 1.00 45.14 H new ATOM 0 HA3 GLY A 70 -0.155 -15.693 4.743 1.00 45.14 H new ATOM 1050 N TRP A 71 1.582 -14.473 3.199 1.00 52.01 N ATOM 1051 CA TRP A 71 2.769 -14.151 2.414 1.00 10.20 C ATOM 1052 C TRP A 71 3.070 -12.649 2.346 1.00 63.35 C ATOM 1053 O TRP A 71 4.029 -12.243 1.691 1.00 63.22 O ATOM 1054 CB TRP A 71 2.630 -14.756 1.008 1.00 32.22 C ATOM 1055 CG TRP A 71 1.556 -14.227 0.090 1.00 45.44 C ATOM 1056 CD1 TRP A 71 0.250 -14.575 0.118 1.00 33.14 C ATOM 1057 CD2 TRP A 71 1.694 -13.326 -1.056 1.00 62.55 C ATOM 1058 NE1 TRP A 71 -0.428 -13.938 -0.906 1.00 12.22 N ATOM 1059 CE2 TRP A 71 0.433 -13.242 -1.725 1.00 44.14 C ATOM 1060 CE3 TRP A 71 2.763 -12.594 -1.617 1.00 4.21 C ATOM 1061 CZ2 TRP A 71 0.247 -12.495 -2.905 1.00 10.12 C ATOM 1062 CZ3 TRP A 71 2.587 -11.833 -2.791 1.00 44.03 C ATOM 1063 CH2 TRP A 71 1.339 -11.799 -3.445 1.00 52.24 C ATOM 0 H TRP A 71 0.804 -14.811 2.632 1.00 52.01 H new ATOM 0 HA TRP A 71 3.625 -14.593 2.924 1.00 10.20 H new ATOM 0 HB2 TRP A 71 3.587 -14.634 0.501 1.00 32.22 H new ATOM 0 HB3 TRP A 71 2.466 -15.827 1.125 1.00 32.22 H new ATOM 0 HD1 TRP A 71 -0.197 -15.250 0.833 1.00 33.14 H new ATOM 0 HE1 TRP A 71 -1.439 -13.979 -1.038 1.00 12.22 H new ATOM 0 HE3 TRP A 71 3.731 -12.617 -1.139 1.00 4.21 H new ATOM 0 HZ2 TRP A 71 -0.720 -12.459 -3.386 1.00 10.12 H new ATOM 0 HZ3 TRP A 71 3.417 -11.271 -3.193 1.00 44.03 H new ATOM 0 HH2 TRP A 71 1.223 -11.238 -4.361 1.00 52.24 H new ATOM 1074 N TYR A 72 2.265 -11.803 2.984 1.00 52.34 N ATOM 1075 CA TYR A 72 2.249 -10.372 2.780 1.00 41.42 C ATOM 1076 C TYR A 72 1.691 -9.778 4.063 1.00 64.23 C ATOM 1077 O TYR A 72 0.699 -10.291 4.594 1.00 22.50 O ATOM 1078 CB TYR A 72 1.342 -10.102 1.581 1.00 51.23 C ATOM 1079 CG TYR A 72 1.375 -8.694 1.030 1.00 65.11 C ATOM 1080 CD1 TYR A 72 0.476 -7.726 1.509 1.00 33.34 C ATOM 1081 CD2 TYR A 72 2.215 -8.394 -0.060 1.00 53.12 C ATOM 1082 CE1 TYR A 72 0.433 -6.459 0.909 1.00 31.12 C ATOM 1083 CE2 TYR A 72 2.188 -7.120 -0.654 1.00 31.51 C ATOM 1084 CZ TYR A 72 1.297 -6.143 -0.162 1.00 41.15 C ATOM 1085 OH TYR A 72 1.277 -4.899 -0.715 1.00 51.31 O ATOM 0 H TYR A 72 1.586 -12.114 3.679 1.00 52.34 H new ATOM 0 HA TYR A 72 3.227 -9.937 2.574 1.00 41.42 H new ATOM 0 HB2 TYR A 72 1.615 -10.791 0.781 1.00 51.23 H new ATOM 0 HB3 TYR A 72 0.316 -10.336 1.866 1.00 51.23 H new ATOM 0 HD1 TYR A 72 -0.179 -7.957 2.336 1.00 33.34 H new ATOM 0 HD2 TYR A 72 2.886 -9.149 -0.443 1.00 53.12 H new ATOM 0 HE1 TYR A 72 -0.267 -5.719 1.269 1.00 31.12 H new ATOM 0 HE2 TYR A 72 2.844 -6.891 -1.481 1.00 31.51 H new ATOM 0 HH TYR A 72 2.003 -4.820 -1.368 1.00 51.31 H new ATOM 1095 N LEU A 73 2.344 -8.746 4.594 1.00 34.24 N ATOM 1096 CA LEU A 73 2.012 -8.171 5.889 1.00 53.45 C ATOM 1097 C LEU A 73 2.047 -6.656 5.766 1.00 2.34 C ATOM 1098 O LEU A 73 3.086 -6.100 5.404 1.00 62.45 O ATOM 1099 CB LEU A 73 3.012 -8.657 6.959 1.00 25.42 C ATOM 1100 CG LEU A 73 2.405 -8.970 8.341 1.00 30.43 C ATOM 1101 CD1 LEU A 73 1.260 -8.048 8.776 1.00 2.11 C ATOM 1102 CD2 LEU A 73 1.933 -10.426 8.401 1.00 53.12 C ATOM 0 H LEU A 73 3.126 -8.283 4.130 1.00 34.24 H new ATOM 0 HA LEU A 73 1.016 -8.488 6.196 1.00 53.45 H new ATOM 0 HB2 LEU A 73 3.507 -9.554 6.588 1.00 25.42 H new ATOM 0 HB3 LEU A 73 3.782 -7.896 7.084 1.00 25.42 H new ATOM 0 HG LEU A 73 3.217 -8.791 9.045 1.00 30.43 H new ATOM 0 HD11 LEU A 73 0.903 -8.351 9.760 1.00 2.11 H new ATOM 0 HD12 LEU A 73 1.618 -7.019 8.821 1.00 2.11 H new ATOM 0 HD13 LEU A 73 0.444 -8.117 8.057 1.00 2.11 H new ATOM 0 HD21 LEU A 73 1.507 -10.630 9.383 1.00 53.12 H new ATOM 0 HD22 LEU A 73 1.176 -10.595 7.635 1.00 53.12 H new ATOM 0 HD23 LEU A 73 2.779 -11.090 8.227 1.00 53.12 H new ATOM 1114 N VAL A 74 0.948 -5.989 6.096 1.00 70.12 N ATOM 1115 CA VAL A 74 0.775 -4.543 6.090 1.00 45.25 C ATOM 1116 C VAL A 74 0.519 -4.118 7.535 1.00 41.11 C ATOM 1117 O VAL A 74 -0.226 -4.802 8.237 1.00 11.12 O ATOM 1118 CB VAL A 74 -0.402 -4.144 5.173 1.00 1.21 C ATOM 1119 CG1 VAL A 74 -0.356 -2.645 4.871 1.00 52.42 C ATOM 1120 CG2 VAL A 74 -0.414 -4.904 3.840 1.00 10.00 C ATOM 0 H VAL A 74 0.102 -6.474 6.393 1.00 70.12 H new ATOM 0 HA VAL A 74 1.662 -4.044 5.700 1.00 45.25 H new ATOM 0 HB VAL A 74 -1.308 -4.405 5.719 1.00 1.21 H new ATOM 0 HG11 VAL A 74 -1.192 -2.378 4.224 1.00 52.42 H new ATOM 0 HG12 VAL A 74 -0.425 -2.084 5.803 1.00 52.42 H new ATOM 0 HG13 VAL A 74 0.582 -2.403 4.371 1.00 52.42 H new ATOM 0 HG21 VAL A 74 -1.265 -4.577 3.243 1.00 10.00 H new ATOM 0 HG22 VAL A 74 0.509 -4.701 3.297 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -0.495 -5.974 4.032 1.00 10.00 H new ATOM 1130 N LYS A 75 1.100 -3.001 7.978 1.00 4.00 N ATOM 1131 CA LYS A 75 0.927 -2.428 9.313 1.00 62.11 C ATOM 1132 C LYS A 75 1.031 -0.915 9.185 1.00 2.40 C ATOM 1133 O LYS A 75 1.919 -0.438 8.475 1.00 32.13 O ATOM 1134 CB LYS A 75 2.036 -2.921 10.263 1.00 5.02 C ATOM 1135 CG LYS A 75 1.688 -4.216 11.010 1.00 42.02 C ATOM 1136 CD LYS A 75 2.903 -5.031 11.479 1.00 22.32 C ATOM 1137 CE LYS A 75 3.758 -5.577 10.320 1.00 61.41 C ATOM 1138 NZ LYS A 75 4.779 -6.544 10.784 1.00 43.14 N ATOM 0 H LYS A 75 1.728 -2.450 7.393 1.00 4.00 H new ATOM 0 HA LYS A 75 -0.039 -2.729 9.718 1.00 62.11 H new ATOM 0 HB2 LYS A 75 2.949 -3.079 9.688 1.00 5.02 H new ATOM 0 HB3 LYS A 75 2.250 -2.139 10.992 1.00 5.02 H new ATOM 0 HG2 LYS A 75 1.078 -3.966 11.878 1.00 42.02 H new ATOM 0 HG3 LYS A 75 1.077 -4.842 10.360 1.00 42.02 H new ATOM 0 HD2 LYS A 75 3.527 -4.405 12.117 1.00 22.32 H new ATOM 0 HD3 LYS A 75 2.558 -5.865 12.090 1.00 22.32 H new ATOM 0 HE2 LYS A 75 3.110 -6.059 9.588 1.00 61.41 H new ATOM 0 HE3 LYS A 75 4.250 -4.748 9.812 1.00 61.41 H new ATOM 0 HZ1 LYS A 75 5.330 -6.884 9.970 1.00 43.14 H new ATOM 0 HZ2 LYS A 75 5.415 -6.078 11.462 1.00 43.14 H new ATOM 0 HZ3 LYS A 75 4.310 -7.349 11.246 1.00 43.14 H new ATOM 1152 N ILE A 76 0.166 -0.194 9.894 1.00 34.31 N ATOM 1153 CA ILE A 76 0.132 1.244 10.087 1.00 43.33 C ATOM 1154 C ILE A 76 0.329 1.421 11.588 1.00 21.44 C ATOM 1155 O ILE A 76 -0.491 0.977 12.391 1.00 34.44 O ATOM 1156 CB ILE A 76 -1.214 1.859 9.616 1.00 61.44 C ATOM 1157 CG1 ILE A 76 -1.508 1.565 8.129 1.00 54.45 C ATOM 1158 CG2 ILE A 76 -1.187 3.381 9.864 1.00 64.52 C ATOM 1159 CD1 ILE A 76 -2.923 1.932 7.662 1.00 64.14 C ATOM 0 H ILE A 76 -0.598 -0.650 10.393 1.00 34.31 H new ATOM 0 HA ILE A 76 0.895 1.756 9.501 1.00 43.33 H new ATOM 0 HB ILE A 76 -2.015 1.397 10.192 1.00 61.44 H new ATOM 0 HG12 ILE A 76 -0.788 2.108 7.518 1.00 54.45 H new ATOM 0 HG13 ILE A 76 -1.345 0.503 7.945 1.00 54.45 H new ATOM 0 HG21 ILE A 76 -2.129 3.820 9.536 1.00 64.52 H new ATOM 0 HG22 ILE A 76 -1.048 3.574 10.928 1.00 64.52 H new ATOM 0 HG23 ILE A 76 -0.365 3.826 9.304 1.00 64.52 H new ATOM 0 HD11 ILE A 76 -3.032 1.688 6.605 1.00 64.14 H new ATOM 0 HD12 ILE A 76 -3.655 1.369 8.241 1.00 64.14 H new ATOM 0 HD13 ILE A 76 -3.089 3.000 7.807 1.00 64.14 H new ATOM 1171 N GLU A 77 1.422 2.060 11.987 1.00 2.13 N ATOM 1172 CA GLU A 77 1.694 2.426 13.357 1.00 50.23 C ATOM 1173 C GLU A 77 1.899 3.931 13.295 1.00 21.34 C ATOM 1174 O GLU A 77 2.904 4.418 12.768 1.00 62.13 O ATOM 1175 CB GLU A 77 2.908 1.677 13.906 1.00 3.02 C ATOM 1176 CG GLU A 77 2.674 0.174 14.145 1.00 34.33 C ATOM 1177 CD GLU A 77 3.843 -0.431 14.919 1.00 63.53 C ATOM 1178 OE1 GLU A 77 4.014 -0.075 16.106 1.00 44.24 O ATOM 1179 OE2 GLU A 77 4.596 -1.239 14.317 1.00 23.14 O ATOM 0 H GLU A 77 2.160 2.342 11.342 1.00 2.13 H new ATOM 0 HA GLU A 77 0.889 2.158 14.042 1.00 50.23 H new ATOM 0 HB2 GLU A 77 3.739 1.797 13.210 1.00 3.02 H new ATOM 0 HB3 GLU A 77 3.210 2.139 14.846 1.00 3.02 H new ATOM 0 HG2 GLU A 77 1.748 0.028 14.700 1.00 34.33 H new ATOM 0 HG3 GLU A 77 2.558 -0.339 13.190 1.00 34.33 H new ATOM 1186 N ASP A 78 0.881 4.648 13.755 1.00 30.10 N ATOM 1187 CA ASP A 78 0.718 6.091 13.712 1.00 43.45 C ATOM 1188 C ASP A 78 0.656 6.598 12.266 1.00 2.42 C ATOM 1189 O ASP A 78 -0.435 6.747 11.705 1.00 23.13 O ATOM 1190 CB ASP A 78 1.780 6.778 14.588 1.00 42.31 C ATOM 1191 CG ASP A 78 1.273 8.116 15.095 1.00 3.21 C ATOM 1192 OD1 ASP A 78 0.755 8.928 14.296 1.00 41.40 O ATOM 1193 OD2 ASP A 78 1.401 8.359 16.316 1.00 21.53 O ATOM 0 H ASP A 78 0.085 4.195 14.204 1.00 30.10 H new ATOM 0 HA ASP A 78 -0.244 6.364 14.146 1.00 43.45 H new ATOM 0 HB2 ASP A 78 2.033 6.136 15.432 1.00 42.31 H new ATOM 0 HB3 ASP A 78 2.694 6.924 14.013 1.00 42.31 H new ATOM 1198 N ASN A 79 1.814 6.813 11.643 1.00 11.02 N ATOM 1199 CA ASN A 79 1.973 7.315 10.286 1.00 13.00 C ATOM 1200 C ASN A 79 3.221 6.738 9.619 1.00 25.31 C ATOM 1201 O ASN A 79 3.729 7.320 8.662 1.00 65.15 O ATOM 1202 CB ASN A 79 2.001 8.844 10.278 1.00 51.41 C ATOM 1203 CG ASN A 79 3.350 9.402 10.706 1.00 31.14 C ATOM 1204 OD1 ASN A 79 3.844 9.139 11.799 1.00 25.50 O ATOM 1205 ND2 ASN A 79 3.984 10.208 9.882 1.00 21.50 N ATOM 0 H ASN A 79 2.709 6.632 12.097 1.00 11.02 H new ATOM 0 HA ASN A 79 1.112 6.986 9.704 1.00 13.00 H new ATOM 0 HB2 ASN A 79 1.763 9.204 9.277 1.00 51.41 H new ATOM 0 HB3 ASN A 79 1.226 9.222 10.945 1.00 51.41 H new ATOM 0 HD21 ASN A 79 4.881 10.611 10.152 1.00 21.50 H new ATOM 0 HD22 ASN A 79 3.578 10.430 8.973 1.00 21.50 H new ATOM 1212 N GLU A 80 3.740 5.610 10.112 1.00 41.31 N ATOM 1213 CA GLU A 80 4.697 4.805 9.369 1.00 71.44 C ATOM 1214 C GLU A 80 3.966 3.537 8.936 1.00 21.30 C ATOM 1215 O GLU A 80 3.558 2.716 9.766 1.00 11.33 O ATOM 1216 CB GLU A 80 5.974 4.517 10.179 1.00 32.53 C ATOM 1217 CG GLU A 80 6.789 5.780 10.511 1.00 52.14 C ATOM 1218 CD GLU A 80 8.262 5.713 10.104 1.00 33.33 C ATOM 1219 OE1 GLU A 80 9.054 5.000 10.759 1.00 50.22 O ATOM 1220 OE2 GLU A 80 8.643 6.428 9.151 1.00 25.22 O ATOM 0 H GLU A 80 3.507 5.236 11.032 1.00 41.31 H new ATOM 0 HA GLU A 80 5.055 5.345 8.493 1.00 71.44 H new ATOM 0 HB2 GLU A 80 5.700 4.016 11.108 1.00 32.53 H new ATOM 0 HB3 GLU A 80 6.603 3.826 9.618 1.00 32.53 H new ATOM 0 HG2 GLU A 80 6.328 6.635 10.016 1.00 52.14 H new ATOM 0 HG3 GLU A 80 6.730 5.963 11.584 1.00 52.14 H new ATOM 1227 N LEU A 81 3.734 3.413 7.630 1.00 12.40 N ATOM 1228 CA LEU A 81 3.120 2.258 6.993 1.00 23.42 C ATOM 1229 C LEU A 81 4.232 1.436 6.361 1.00 10.21 C ATOM 1230 O LEU A 81 5.161 1.987 5.772 1.00 22.50 O ATOM 1231 CB LEU A 81 2.087 2.754 5.976 1.00 45.43 C ATOM 1232 CG LEU A 81 1.404 1.750 5.026 1.00 25.52 C ATOM 1233 CD1 LEU A 81 2.182 1.454 3.743 1.00 34.41 C ATOM 1234 CD2 LEU A 81 0.932 0.451 5.663 1.00 4.40 C ATOM 0 H LEU A 81 3.980 4.145 6.964 1.00 12.40 H new ATOM 0 HA LEU A 81 2.591 1.621 7.702 1.00 23.42 H new ATOM 0 HB2 LEU A 81 1.300 3.262 6.533 1.00 45.43 H new ATOM 0 HB3 LEU A 81 2.575 3.507 5.357 1.00 45.43 H new ATOM 0 HG LEU A 81 0.506 2.304 4.752 1.00 25.52 H new ATOM 0 HD11 LEU A 81 1.626 0.739 3.137 1.00 34.41 H new ATOM 0 HD12 LEU A 81 2.320 2.377 3.180 1.00 34.41 H new ATOM 0 HD13 LEU A 81 3.156 1.035 3.996 1.00 34.41 H new ATOM 0 HD21 LEU A 81 0.468 -0.179 4.904 1.00 4.40 H new ATOM 0 HD22 LEU A 81 1.784 -0.072 6.097 1.00 4.40 H new ATOM 0 HD23 LEU A 81 0.206 0.672 6.445 1.00 4.40 H new ATOM 1246 N LYS A 82 4.169 0.120 6.513 1.00 21.21 N ATOM 1247 CA LYS A 82 5.160 -0.822 6.028 1.00 5.02 C ATOM 1248 C LYS A 82 4.466 -1.933 5.284 1.00 23.40 C ATOM 1249 O LYS A 82 3.369 -2.339 5.677 1.00 34.21 O ATOM 1250 CB LYS A 82 5.922 -1.453 7.197 1.00 23.43 C ATOM 1251 CG LYS A 82 6.607 -0.433 8.099 1.00 11.40 C ATOM 1252 CD LYS A 82 5.740 0.066 9.251 1.00 4.12 C ATOM 1253 CE LYS A 82 6.402 1.101 10.166 1.00 23.40 C ATOM 1254 NZ LYS A 82 7.368 0.522 11.117 1.00 50.01 N ATOM 0 H LYS A 82 3.395 -0.335 6.997 1.00 21.21 H new ATOM 0 HA LYS A 82 5.853 -0.285 5.380 1.00 5.02 H new ATOM 0 HB2 LYS A 82 5.229 -2.046 7.794 1.00 23.43 H new ATOM 0 HB3 LYS A 82 6.672 -2.139 6.803 1.00 23.43 H new ATOM 0 HG2 LYS A 82 7.514 -0.878 8.508 1.00 11.40 H new ATOM 0 HG3 LYS A 82 6.915 0.420 7.495 1.00 11.40 H new ATOM 0 HD2 LYS A 82 4.830 0.500 8.838 1.00 4.12 H new ATOM 0 HD3 LYS A 82 5.439 -0.790 9.855 1.00 4.12 H new ATOM 0 HE2 LYS A 82 6.912 1.843 9.551 1.00 23.40 H new ATOM 0 HE3 LYS A 82 5.628 1.627 10.724 1.00 23.40 H new ATOM 0 HZ1 LYS A 82 7.775 1.279 11.702 1.00 50.01 H new ATOM 0 HZ2 LYS A 82 6.883 -0.166 11.729 1.00 50.01 H new ATOM 0 HZ3 LYS A 82 8.128 0.043 10.592 1.00 50.01 H new ATOM 1268 N VAL A 83 5.164 -2.516 4.320 1.00 70.11 N ATOM 1269 CA VAL A 83 4.780 -3.772 3.710 1.00 1.11 C ATOM 1270 C VAL A 83 6.011 -4.668 3.796 1.00 62.42 C ATOM 1271 O VAL A 83 7.119 -4.237 3.472 1.00 10.31 O ATOM 1272 CB VAL A 83 4.266 -3.542 2.276 1.00 25.24 C ATOM 1273 CG1 VAL A 83 3.842 -4.866 1.633 1.00 30.32 C ATOM 1274 CG2 VAL A 83 3.064 -2.583 2.246 1.00 73.45 C ATOM 0 H VAL A 83 6.023 -2.121 3.938 1.00 70.11 H new ATOM 0 HA VAL A 83 3.947 -4.256 4.221 1.00 1.11 H new ATOM 0 HB VAL A 83 5.090 -3.098 1.717 1.00 25.24 H new ATOM 0 HG11 VAL A 83 3.482 -4.680 0.621 1.00 30.32 H new ATOM 0 HG12 VAL A 83 4.696 -5.543 1.596 1.00 30.32 H new ATOM 0 HG13 VAL A 83 3.046 -5.319 2.224 1.00 30.32 H new ATOM 0 HG21 VAL A 83 2.732 -2.448 1.217 1.00 73.45 H new ATOM 0 HG22 VAL A 83 2.250 -3.001 2.838 1.00 73.45 H new ATOM 0 HG23 VAL A 83 3.357 -1.619 2.662 1.00 73.45 H new ATOM 1284 N ILE A 84 5.840 -5.903 4.266 1.00 70.53 N ATOM 1285 CA ILE A 84 6.871 -6.929 4.256 1.00 11.23 C ATOM 1286 C ILE A 84 6.268 -8.134 3.542 1.00 33.12 C ATOM 1287 O ILE A 84 5.156 -8.566 3.861 1.00 3.23 O ATOM 1288 CB ILE A 84 7.353 -7.242 5.688 1.00 32.53 C ATOM 1289 CG1 ILE A 84 7.873 -5.992 6.439 1.00 1.04 C ATOM 1290 CG2 ILE A 84 8.492 -8.274 5.633 1.00 24.41 C ATOM 1291 CD1 ILE A 84 6.792 -5.205 7.188 1.00 11.04 C ATOM 0 H ILE A 84 4.960 -6.221 4.672 1.00 70.53 H new ATOM 0 HA ILE A 84 7.767 -6.603 3.728 1.00 11.23 H new ATOM 0 HB ILE A 84 6.488 -7.626 6.230 1.00 32.53 H new ATOM 0 HG12 ILE A 84 8.637 -6.303 7.151 1.00 1.04 H new ATOM 0 HG13 ILE A 84 8.357 -5.328 5.722 1.00 1.04 H new ATOM 0 HG21 ILE A 84 8.832 -8.495 6.645 1.00 24.41 H new ATOM 0 HG22 ILE A 84 8.131 -9.189 5.164 1.00 24.41 H new ATOM 0 HG23 ILE A 84 9.321 -7.870 5.052 1.00 24.41 H new ATOM 0 HD11 ILE A 84 7.245 -4.347 7.685 1.00 11.04 H new ATOM 0 HD12 ILE A 84 6.038 -4.859 6.481 1.00 11.04 H new ATOM 0 HD13 ILE A 84 6.323 -5.849 7.932 1.00 11.04 H new ATOM 1303 N ILE A 85 6.979 -8.657 2.548 1.00 34.32 N ATOM 1304 CA ILE A 85 6.487 -9.677 1.624 1.00 11.34 C ATOM 1305 C ILE A 85 7.408 -10.880 1.751 1.00 10.40 C ATOM 1306 O ILE A 85 8.621 -10.699 1.763 1.00 13.24 O ATOM 1307 CB ILE A 85 6.452 -9.121 0.181 1.00 31.11 C ATOM 1308 CG1 ILE A 85 5.719 -7.762 0.168 1.00 65.23 C ATOM 1309 CG2 ILE A 85 5.775 -10.143 -0.750 1.00 42.23 C ATOM 1310 CD1 ILE A 85 5.642 -7.082 -1.191 1.00 2.11 C ATOM 0 H ILE A 85 7.941 -8.376 2.356 1.00 34.32 H new ATOM 0 HA ILE A 85 5.466 -9.972 1.865 1.00 11.34 H new ATOM 0 HB ILE A 85 7.467 -8.958 -0.183 1.00 31.11 H new ATOM 0 HG12 ILE A 85 4.705 -7.910 0.541 1.00 65.23 H new ATOM 0 HG13 ILE A 85 6.220 -7.090 0.865 1.00 65.23 H new ATOM 0 HG21 ILE A 85 5.751 -9.750 -1.766 1.00 42.23 H new ATOM 0 HG22 ILE A 85 6.337 -11.077 -0.735 1.00 42.23 H new ATOM 0 HG23 ILE A 85 4.756 -10.327 -0.408 1.00 42.23 H new ATOM 0 HD11 ILE A 85 5.109 -6.136 -1.095 1.00 2.11 H new ATOM 0 HD12 ILE A 85 6.650 -6.895 -1.562 1.00 2.11 H new ATOM 0 HD13 ILE A 85 5.112 -7.727 -1.891 1.00 2.11 H new ATOM 1322 N ASN A 86 6.827 -12.074 1.854 1.00 33.40 N ATOM 1323 CA ASN A 86 7.551 -13.333 1.960 1.00 2.01 C ATOM 1324 C ASN A 86 7.628 -13.994 0.601 1.00 73.51 C ATOM 1325 O ASN A 86 6.862 -13.693 -0.317 1.00 33.42 O ATOM 1326 CB ASN A 86 6.866 -14.322 2.921 1.00 62.44 C ATOM 1327 CG ASN A 86 7.084 -13.971 4.374 1.00 65.53 C ATOM 1328 OD1 ASN A 86 7.694 -14.714 5.135 1.00 70.22 O ATOM 1329 ND2 ASN A 86 6.581 -12.837 4.804 1.00 33.40 N ATOM 0 H ASN A 86 5.814 -12.192 1.866 1.00 33.40 H new ATOM 0 HA ASN A 86 8.542 -13.094 2.346 1.00 2.01 H new ATOM 0 HB2 ASN A 86 5.796 -14.342 2.713 1.00 62.44 H new ATOM 0 HB3 ASN A 86 7.246 -15.326 2.733 1.00 62.44 H new ATOM 0 HD21 ASN A 86 6.696 -12.566 5.781 1.00 33.40 H new ATOM 0 HD22 ASN A 86 6.075 -12.227 4.161 1.00 33.40 H new ATOM 1336 N ARG A 87 8.505 -14.984 0.536 1.00 45.43 N ATOM 1337 CA ARG A 87 8.772 -15.787 -0.643 1.00 51.05 C ATOM 1338 C ARG A 87 7.509 -16.503 -1.118 1.00 42.04 C ATOM 1339 O ARG A 87 6.763 -17.054 -0.300 1.00 3.03 O ATOM 1340 CB ARG A 87 9.956 -16.712 -0.315 1.00 61.43 C ATOM 1341 CG ARG A 87 10.251 -17.777 -1.377 1.00 3.40 C ATOM 1342 CD ARG A 87 9.735 -19.169 -0.968 1.00 3.40 C ATOM 1343 NE ARG A 87 10.820 -19.957 -0.361 1.00 74.21 N ATOM 1344 CZ ARG A 87 10.755 -21.172 0.192 1.00 30.42 C ATOM 1345 NH1 ARG A 87 9.605 -21.800 0.392 1.00 70.54 N ATOM 1346 NH2 ARG A 87 11.883 -21.770 0.564 1.00 52.24 N ATOM 0 H ARG A 87 9.072 -15.260 1.337 1.00 45.43 H new ATOM 0 HA ARG A 87 9.059 -15.171 -1.495 1.00 51.05 H new ATOM 0 HB2 ARG A 87 10.848 -16.102 -0.175 1.00 61.43 H new ATOM 0 HB3 ARG A 87 9.758 -17.210 0.634 1.00 61.43 H new ATOM 0 HG2 ARG A 87 9.790 -17.484 -2.320 1.00 3.40 H new ATOM 0 HG3 ARG A 87 11.326 -17.827 -1.550 1.00 3.40 H new ATOM 0 HD2 ARG A 87 8.912 -19.066 -0.261 1.00 3.40 H new ATOM 0 HD3 ARG A 87 9.342 -19.690 -1.841 1.00 3.40 H new ATOM 0 HE ARG A 87 11.741 -19.519 -0.363 1.00 74.21 H new ATOM 0 HH11 ARG A 87 8.728 -21.356 0.121 1.00 70.54 H new ATOM 0 HH12 ARG A 87 9.597 -22.727 0.817 1.00 70.54 H new ATOM 0 HH21 ARG A 87 12.778 -21.301 0.426 1.00 52.24 H new ATOM 0 HH22 ARG A 87 11.853 -22.697 0.988 1.00 52.24 H new ATOM 1360 N ASN A 88 7.280 -16.514 -2.434 1.00 5.24 N ATOM 1361 CA ASN A 88 6.362 -17.438 -3.086 1.00 23.42 C ATOM 1362 C ASN A 88 7.113 -18.724 -3.394 1.00 23.41 C ATOM 1363 O ASN A 88 8.285 -18.700 -3.747 1.00 54.45 O ATOM 1364 CB ASN A 88 5.806 -16.850 -4.395 1.00 42.43 C ATOM 1365 CG ASN A 88 4.661 -17.673 -4.976 1.00 2.02 C ATOM 1366 OD1 ASN A 88 4.181 -18.633 -4.372 1.00 45.44 O ATOM 1367 ND2 ASN A 88 4.183 -17.316 -6.148 1.00 42.15 N ATOM 0 H ASN A 88 7.736 -15.871 -3.081 1.00 5.24 H new ATOM 0 HA ASN A 88 5.521 -17.626 -2.419 1.00 23.42 H new ATOM 0 HB2 ASN A 88 5.459 -15.833 -4.212 1.00 42.43 H new ATOM 0 HB3 ASN A 88 6.609 -16.786 -5.129 1.00 42.43 H new ATOM 0 HD21 ASN A 88 3.409 -17.835 -6.563 1.00 42.15 H new ATOM 0 HD22 ASN A 88 4.586 -16.520 -6.642 1.00 42.15 H new ATOM 1374 N GLU A 89 6.429 -19.853 -3.292 1.00 21.20 N ATOM 1375 CA GLU A 89 6.958 -21.195 -3.500 1.00 42.23 C ATOM 1376 C GLU A 89 6.091 -21.936 -4.524 1.00 53.33 C ATOM 1377 O GLU A 89 5.872 -23.150 -4.429 1.00 32.20 O ATOM 1378 CB GLU A 89 7.087 -21.883 -2.134 1.00 44.34 C ATOM 1379 CG GLU A 89 5.742 -22.062 -1.397 1.00 31.52 C ATOM 1380 CD GLU A 89 5.775 -21.683 0.094 1.00 61.31 C ATOM 1381 OE1 GLU A 89 6.859 -21.501 0.694 1.00 51.41 O ATOM 1382 OE2 GLU A 89 4.684 -21.509 0.692 1.00 50.41 O ATOM 0 H GLU A 89 5.438 -19.860 -3.049 1.00 21.20 H new ATOM 0 HA GLU A 89 7.959 -21.182 -3.932 1.00 42.23 H new ATOM 0 HB2 GLU A 89 7.548 -22.861 -2.272 1.00 44.34 H new ATOM 0 HB3 GLU A 89 7.760 -21.299 -1.506 1.00 44.34 H new ATOM 0 HG2 GLU A 89 4.986 -21.456 -1.896 1.00 31.52 H new ATOM 0 HG3 GLU A 89 5.428 -23.102 -1.488 1.00 31.52 H new ATOM 1389 N THR A 90 5.538 -21.171 -5.471 1.00 54.32 N ATOM 1390 CA THR A 90 4.754 -21.665 -6.591 1.00 10.43 C ATOM 1391 C THR A 90 5.110 -20.914 -7.876 1.00 22.20 C ATOM 1392 O THR A 90 5.740 -19.854 -7.866 1.00 0.40 O ATOM 1393 CB THR A 90 3.249 -21.546 -6.301 1.00 61.11 C ATOM 1394 OG1 THR A 90 2.881 -20.191 -6.133 1.00 21.54 O ATOM 1395 CG2 THR A 90 2.778 -22.349 -5.094 1.00 11.14 C ATOM 0 H THR A 90 5.632 -20.155 -5.472 1.00 54.32 H new ATOM 0 HA THR A 90 4.994 -22.719 -6.730 1.00 10.43 H new ATOM 0 HB THR A 90 2.754 -21.974 -7.173 1.00 61.11 H new ATOM 0 HG1 THR A 90 3.329 -19.826 -5.341 1.00 21.54 H new ATOM 0 HG21 THR A 90 1.705 -22.209 -4.960 1.00 11.14 H new ATOM 0 HG22 THR A 90 2.989 -23.406 -5.255 1.00 11.14 H new ATOM 0 HG23 THR A 90 3.303 -22.007 -4.202 1.00 11.14 H new ATOM 1403 N ASN A 91 4.635 -21.463 -8.988 1.00 15.14 N ATOM 1404 CA ASN A 91 4.973 -21.094 -10.354 1.00 60.42 C ATOM 1405 C ASN A 91 4.149 -19.948 -10.958 1.00 52.03 C ATOM 1406 O ASN A 91 4.321 -19.678 -12.148 1.00 55.15 O ATOM 1407 CB ASN A 91 4.871 -22.346 -11.231 1.00 32.43 C ATOM 1408 CG ASN A 91 3.471 -22.918 -11.149 1.00 11.34 C ATOM 1409 OD1 ASN A 91 2.476 -22.270 -11.461 1.00 33.22 O ATOM 1410 ND2 ASN A 91 3.337 -24.074 -10.545 1.00 71.22 N ATOM 0 H ASN A 91 3.960 -22.227 -8.955 1.00 15.14 H new ATOM 0 HA ASN A 91 5.989 -20.700 -10.321 1.00 60.42 H new ATOM 0 HB2 ASN A 91 5.112 -22.098 -12.265 1.00 32.43 H new ATOM 0 HB3 ASN A 91 5.597 -23.090 -10.904 1.00 32.43 H new ATOM 0 HD21 ASN A 91 2.406 -24.435 -10.335 1.00 71.22 H new ATOM 0 HD22 ASN A 91 4.163 -24.613 -10.286 1.00 71.22 H new ATOM 1417 N ALA A 92 3.288 -19.261 -10.201 1.00 64.32 N ATOM 1418 CA ALA A 92 2.416 -18.206 -10.724 1.00 52.12 C ATOM 1419 C ALA A 92 2.637 -16.915 -9.947 1.00 2.44 C ATOM 1420 O ALA A 92 2.637 -16.930 -8.712 1.00 72.32 O ATOM 1421 CB ALA A 92 0.948 -18.634 -10.658 1.00 72.23 C ATOM 0 H ALA A 92 3.176 -19.423 -9.200 1.00 64.32 H new ATOM 0 HA ALA A 92 2.668 -18.031 -11.770 1.00 52.12 H new ATOM 0 HB1 ALA A 92 0.318 -17.836 -11.051 1.00 72.23 H new ATOM 0 HB2 ALA A 92 0.805 -19.536 -11.253 1.00 72.23 H new ATOM 0 HB3 ALA A 92 0.674 -18.835 -9.622 1.00 72.23 H new ATOM 1427 N SER A 93 2.846 -15.816 -10.672 1.00 41.21 N ATOM 1428 CA SER A 93 3.083 -14.492 -10.145 1.00 15.43 C ATOM 1429 C SER A 93 1.768 -13.873 -9.674 1.00 4.42 C ATOM 1430 O SER A 93 0.752 -13.981 -10.364 1.00 74.43 O ATOM 1431 CB SER A 93 3.708 -13.646 -11.257 1.00 3.32 C ATOM 1432 OG SER A 93 3.215 -13.948 -12.554 1.00 52.32 O ATOM 0 H SER A 93 2.853 -15.837 -11.692 1.00 41.21 H new ATOM 0 HA SER A 93 3.757 -14.537 -9.289 1.00 15.43 H new ATOM 0 HB2 SER A 93 3.525 -12.593 -11.045 1.00 3.32 H new ATOM 0 HB3 SER A 93 4.788 -13.790 -11.247 1.00 3.32 H new ATOM 0 HG SER A 93 3.654 -13.371 -13.213 1.00 52.32 H new ATOM 1438 N ARG A 94 1.791 -13.152 -8.554 1.00 22.41 N ATOM 1439 CA ARG A 94 0.607 -12.692 -7.828 1.00 31.20 C ATOM 1440 C ARG A 94 0.838 -11.268 -7.354 1.00 4.21 C ATOM 1441 O ARG A 94 1.963 -10.909 -6.993 1.00 30.20 O ATOM 1442 CB ARG A 94 0.297 -13.643 -6.655 1.00 62.32 C ATOM 1443 CG ARG A 94 1.547 -14.149 -5.911 1.00 21.14 C ATOM 1444 CD ARG A 94 1.168 -15.069 -4.757 1.00 73.51 C ATOM 1445 NE ARG A 94 2.281 -15.238 -3.811 1.00 4.22 N ATOM 1446 CZ ARG A 94 2.269 -16.106 -2.796 1.00 73.33 C ATOM 1447 NH1 ARG A 94 1.186 -16.848 -2.572 1.00 72.43 N ATOM 1448 NH2 ARG A 94 3.344 -16.228 -2.027 1.00 43.22 N ATOM 0 H ARG A 94 2.663 -12.862 -8.112 1.00 22.41 H new ATOM 0 HA ARG A 94 -0.261 -12.699 -8.487 1.00 31.20 H new ATOM 0 HB2 ARG A 94 -0.352 -13.129 -5.946 1.00 62.32 H new ATOM 0 HB3 ARG A 94 -0.260 -14.500 -7.033 1.00 62.32 H new ATOM 0 HG2 ARG A 94 2.196 -14.682 -6.606 1.00 21.14 H new ATOM 0 HG3 ARG A 94 2.115 -13.300 -5.531 1.00 21.14 H new ATOM 0 HD2 ARG A 94 0.304 -14.660 -4.234 1.00 73.51 H new ATOM 0 HD3 ARG A 94 0.872 -16.042 -5.149 1.00 73.51 H new ATOM 0 HE ARG A 94 3.111 -14.658 -3.937 1.00 4.22 H new ATOM 0 HH11 ARG A 94 0.369 -16.753 -3.175 1.00 72.43 H new ATOM 0 HH12 ARG A 94 1.174 -17.512 -1.798 1.00 72.43 H new ATOM 0 HH21 ARG A 94 4.171 -15.661 -2.213 1.00 43.22 H new ATOM 0 HH22 ARG A 94 3.343 -16.889 -1.250 1.00 43.22 H new ATOM 1462 N SER A 95 -0.207 -10.448 -7.340 1.00 24.51 N ATOM 1463 CA SER A 95 -0.057 -9.006 -7.239 1.00 51.14 C ATOM 1464 C SER A 95 -1.101 -8.456 -6.290 1.00 4.44 C ATOM 1465 O SER A 95 -2.303 -8.682 -6.452 1.00 62.51 O ATOM 1466 CB SER A 95 -0.177 -8.344 -8.609 1.00 45.45 C ATOM 1467 OG SER A 95 0.620 -9.001 -9.582 1.00 15.14 O ATOM 0 H SER A 95 -1.175 -10.764 -7.398 1.00 24.51 H new ATOM 0 HA SER A 95 0.937 -8.783 -6.851 1.00 51.14 H new ATOM 0 HB2 SER A 95 -1.220 -8.352 -8.927 1.00 45.45 H new ATOM 0 HB3 SER A 95 0.126 -7.299 -8.536 1.00 45.45 H new ATOM 0 HG SER A 95 0.517 -8.552 -10.447 1.00 15.14 H new ATOM 1473 N PHE A 96 -0.621 -7.747 -5.280 1.00 63.15 N ATOM 1474 CA PHE A 96 -1.460 -7.066 -4.336 1.00 53.15 C ATOM 1475 C PHE A 96 -1.879 -5.698 -4.875 1.00 73.24 C ATOM 1476 O PHE A 96 -1.310 -5.143 -5.821 1.00 41.04 O ATOM 1477 CB PHE A 96 -0.741 -6.965 -2.987 1.00 22.54 C ATOM 1478 CG PHE A 96 -1.072 -8.042 -1.993 1.00 30.32 C ATOM 1479 CD1 PHE A 96 -0.334 -9.235 -1.929 1.00 3.03 C ATOM 1480 CD2 PHE A 96 -2.102 -7.791 -1.067 1.00 61.53 C ATOM 1481 CE1 PHE A 96 -0.653 -10.157 -0.914 1.00 43.33 C ATOM 1482 CE2 PHE A 96 -2.424 -8.730 -0.081 1.00 44.34 C ATOM 1483 CZ PHE A 96 -1.698 -9.926 -0.006 1.00 13.31 C ATOM 0 H PHE A 96 0.377 -7.634 -5.100 1.00 63.15 H new ATOM 0 HA PHE A 96 -2.376 -7.637 -4.183 1.00 53.15 H new ATOM 0 HB2 PHE A 96 0.334 -6.979 -3.167 1.00 22.54 H new ATOM 0 HB3 PHE A 96 -0.977 -5.999 -2.541 1.00 22.54 H new ATOM 0 HD1 PHE A 96 0.455 -9.439 -2.638 1.00 3.03 H new ATOM 0 HD2 PHE A 96 -2.651 -6.862 -1.118 1.00 61.53 H new ATOM 0 HE1 PHE A 96 -0.078 -11.067 -0.832 1.00 43.33 H new ATOM 0 HE2 PHE A 96 -3.225 -8.535 0.616 1.00 44.34 H new ATOM 0 HZ PHE A 96 -1.940 -10.664 0.744 1.00 13.31 H new ATOM 1493 N THR A 97 -2.873 -5.099 -4.236 1.00 12.43 N ATOM 1494 CA THR A 97 -3.005 -3.654 -4.161 1.00 1.01 C ATOM 1495 C THR A 97 -3.415 -3.359 -2.725 1.00 24.51 C ATOM 1496 O THR A 97 -4.331 -4.009 -2.214 1.00 31.23 O ATOM 1497 CB THR A 97 -3.958 -3.106 -5.230 1.00 25.43 C ATOM 1498 OG1 THR A 97 -3.611 -3.704 -6.471 1.00 71.51 O ATOM 1499 CG2 THR A 97 -3.784 -1.588 -5.361 1.00 13.01 C ATOM 0 H THR A 97 -3.614 -5.606 -3.753 1.00 12.43 H new ATOM 0 HA THR A 97 -2.072 -3.137 -4.388 1.00 1.01 H new ATOM 0 HB THR A 97 -4.989 -3.329 -4.954 1.00 25.43 H new ATOM 0 HG1 THR A 97 -4.208 -3.371 -7.173 1.00 71.51 H new ATOM 0 HG21 THR A 97 -4.465 -1.208 -6.123 1.00 13.01 H new ATOM 0 HG22 THR A 97 -4.006 -1.113 -4.406 1.00 13.01 H new ATOM 0 HG23 THR A 97 -2.757 -1.363 -5.648 1.00 13.01 H new ATOM 1507 N VAL A 98 -2.695 -2.457 -2.057 1.00 52.31 N ATOM 1508 CA VAL A 98 -3.036 -1.946 -0.743 1.00 23.52 C ATOM 1509 C VAL A 98 -3.480 -0.516 -0.993 1.00 14.13 C ATOM 1510 O VAL A 98 -2.668 0.276 -1.468 1.00 1.14 O ATOM 1511 CB VAL A 98 -1.829 -2.076 0.220 1.00 50.04 C ATOM 1512 CG1 VAL A 98 -1.500 -3.551 0.423 1.00 53.33 C ATOM 1513 CG2 VAL A 98 -0.500 -1.431 -0.216 1.00 73.11 C ATOM 0 H VAL A 98 -1.836 -2.055 -2.432 1.00 52.31 H new ATOM 0 HA VAL A 98 -3.831 -2.503 -0.248 1.00 23.52 H new ATOM 0 HB VAL A 98 -2.173 -1.542 1.106 1.00 50.04 H new ATOM 0 HG11 VAL A 98 -0.651 -3.645 1.100 1.00 53.33 H new ATOM 0 HG12 VAL A 98 -2.363 -4.061 0.851 1.00 53.33 H new ATOM 0 HG13 VAL A 98 -1.250 -4.003 -0.537 1.00 53.33 H new ATOM 0 HG21 VAL A 98 0.255 -1.599 0.552 1.00 73.11 H new ATOM 0 HG22 VAL A 98 -0.170 -1.877 -1.154 1.00 73.11 H new ATOM 0 HG23 VAL A 98 -0.644 -0.359 -0.355 1.00 73.11 H new ATOM 1523 N CYS A 99 -4.755 -0.185 -0.788 1.00 71.41 N ATOM 1524 CA CYS A 99 -5.106 1.221 -0.705 1.00 62.40 C ATOM 1525 C CYS A 99 -4.813 1.712 0.697 1.00 50.22 C ATOM 1526 O CYS A 99 -4.732 0.916 1.638 1.00 61.20 O ATOM 1527 CB CYS A 99 -6.551 1.476 -1.135 1.00 14.42 C ATOM 1528 SG CYS A 99 -7.741 0.935 0.125 1.00 73.11 S ATOM 0 H CYS A 99 -5.527 -0.843 -0.681 1.00 71.41 H new ATOM 0 HA CYS A 99 -4.497 1.791 -1.407 1.00 62.40 H new ATOM 0 HB2 CYS A 99 -6.689 2.539 -1.331 1.00 14.42 H new ATOM 0 HB3 CYS A 99 -6.749 0.951 -2.070 1.00 14.42 H new ATOM 0 HG CYS A 99 -8.928 1.362 -0.188 1.00 73.11 H new ATOM 1534 N VAL A 100 -4.778 3.032 0.837 1.00 65.34 N ATOM 1535 CA VAL A 100 -5.261 3.649 2.054 1.00 72.12 C ATOM 1536 C VAL A 100 -6.102 4.844 1.631 1.00 71.23 C ATOM 1537 O VAL A 100 -5.783 5.478 0.619 1.00 1.04 O ATOM 1538 CB VAL A 100 -4.120 4.036 3.016 1.00 11.24 C ATOM 1539 CG1 VAL A 100 -3.342 2.809 3.503 1.00 72.54 C ATOM 1540 CG2 VAL A 100 -3.100 5.041 2.449 1.00 42.24 C ATOM 0 H VAL A 100 -4.426 3.681 0.133 1.00 65.34 H new ATOM 0 HA VAL A 100 -5.863 2.943 2.626 1.00 72.12 H new ATOM 0 HB VAL A 100 -4.644 4.523 3.838 1.00 11.24 H new ATOM 0 HG11 VAL A 100 -2.547 3.126 4.178 1.00 72.54 H new ATOM 0 HG12 VAL A 100 -4.018 2.135 4.029 1.00 72.54 H new ATOM 0 HG13 VAL A 100 -2.906 2.292 2.648 1.00 72.54 H new ATOM 0 HG21 VAL A 100 -2.338 5.249 3.200 1.00 42.24 H new ATOM 0 HG22 VAL A 100 -2.629 4.619 1.561 1.00 42.24 H new ATOM 0 HG23 VAL A 100 -3.610 5.967 2.184 1.00 42.24 H new ATOM 1550 N GLU A 101 -7.134 5.170 2.402 1.00 32.42 N ATOM 1551 CA GLU A 101 -7.778 6.468 2.342 1.00 50.02 C ATOM 1552 C GLU A 101 -7.444 7.171 3.644 1.00 24.21 C ATOM 1553 O GLU A 101 -7.473 6.565 4.722 1.00 53.14 O ATOM 1554 CB GLU A 101 -9.294 6.348 2.165 1.00 1.12 C ATOM 1555 CG GLU A 101 -9.674 6.025 0.719 1.00 31.33 C ATOM 1556 CD GLU A 101 -11.138 5.638 0.518 1.00 21.52 C ATOM 1557 OE1 GLU A 101 -11.961 5.730 1.457 1.00 21.14 O ATOM 1558 OE2 GLU A 101 -11.447 5.170 -0.603 1.00 43.12 O ATOM 0 H GLU A 101 -7.545 4.536 3.087 1.00 32.42 H new ATOM 0 HA GLU A 101 -7.419 7.029 1.479 1.00 50.02 H new ATOM 0 HB2 GLU A 101 -9.676 5.568 2.824 1.00 1.12 H new ATOM 0 HB3 GLU A 101 -9.770 7.281 2.466 1.00 1.12 H new ATOM 0 HG2 GLU A 101 -9.452 6.892 0.096 1.00 31.33 H new ATOM 0 HG3 GLU A 101 -9.044 5.209 0.365 1.00 31.33 H new ATOM 1565 N ALA A 102 -7.177 8.465 3.531 1.00 74.51 N ATOM 1566 CA ALA A 102 -6.723 9.362 4.571 1.00 31.55 C ATOM 1567 C ALA A 102 -7.765 10.439 4.883 1.00 52.01 C ATOM 1568 O ALA A 102 -7.410 11.479 5.449 1.00 30.33 O ATOM 1569 CB ALA A 102 -5.412 9.985 4.086 1.00 1.22 C ATOM 0 H ALA A 102 -7.282 8.947 2.638 1.00 74.51 H new ATOM 0 HA ALA A 102 -6.569 8.814 5.501 1.00 31.55 H new ATOM 0 HB1 ALA A 102 -5.033 10.671 4.843 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -4.679 9.198 3.910 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -5.589 10.530 3.159 1.00 1.22 H new ATOM 1575 N GLY A 103 -9.012 10.252 4.448 1.00 3.13 N ATOM 1576 CA GLY A 103 -10.100 11.207 4.516 1.00 51.33 C ATOM 1577 C GLY A 103 -10.417 11.678 3.109 1.00 63.44 C ATOM 1578 O GLY A 103 -11.049 10.962 2.335 1.00 34.25 O ATOM 0 H GLY A 103 -9.298 9.374 4.014 1.00 3.13 H new ATOM 0 HA2 GLY A 103 -10.979 10.748 4.969 1.00 51.33 H new ATOM 0 HA3 GLY A 103 -9.823 12.053 5.145 1.00 51.33 H new ATOM 1582 N ASN A 104 -9.943 12.867 2.758 1.00 73.43 N ATOM 1583 CA ASN A 104 -10.135 13.534 1.475 1.00 65.23 C ATOM 1584 C ASN A 104 -8.921 13.300 0.573 1.00 65.22 C ATOM 1585 O ASN A 104 -8.668 14.086 -0.329 1.00 61.20 O ATOM 1586 CB ASN A 104 -10.450 15.018 1.706 1.00 13.33 C ATOM 1587 CG ASN A 104 -11.874 15.154 2.230 1.00 10.22 C ATOM 1588 OD1 ASN A 104 -12.216 14.679 3.316 1.00 3.44 O ATOM 1589 ND2 ASN A 104 -12.753 15.691 1.408 1.00 72.21 N ATOM 0 H ASN A 104 -9.380 13.425 3.400 1.00 73.43 H new ATOM 0 HA ASN A 104 -10.991 13.109 0.951 1.00 65.23 H new ATOM 0 HB2 ASN A 104 -9.745 15.445 2.420 1.00 13.33 H new ATOM 0 HB3 ASN A 104 -10.338 15.575 0.776 1.00 13.33 H new ATOM 0 HD21 ASN A 104 -13.740 15.720 1.665 1.00 72.21 H new ATOM 0 HD22 ASN A 104 -12.447 16.078 0.515 1.00 72.21 H new ATOM 1596 N ALA A 105 -8.140 12.243 0.799 1.00 71.41 N ATOM 1597 CA ALA A 105 -7.059 11.817 -0.075 1.00 14.03 C ATOM 1598 C ALA A 105 -6.866 10.317 0.095 1.00 24.32 C ATOM 1599 O ALA A 105 -7.376 9.721 1.047 1.00 64.30 O ATOM 1600 CB ALA A 105 -5.766 12.566 0.271 1.00 34.12 C ATOM 0 H ALA A 105 -8.249 11.647 1.619 1.00 71.41 H new ATOM 0 HA ALA A 105 -7.309 12.043 -1.112 1.00 14.03 H new ATOM 0 HB1 ALA A 105 -4.966 12.236 -0.392 1.00 34.12 H new ATOM 0 HB2 ALA A 105 -5.922 13.638 0.147 1.00 34.12 H new ATOM 0 HB3 ALA A 105 -5.490 12.357 1.305 1.00 34.12 H new ATOM 1606 N PHE A 106 -6.095 9.723 -0.805 1.00 64.41 N ATOM 1607 CA PHE A 106 -5.721 8.321 -0.810 1.00 3.13 C ATOM 1608 C PHE A 106 -4.424 8.214 -1.613 1.00 71.52 C ATOM 1609 O PHE A 106 -4.141 9.069 -2.464 1.00 22.34 O ATOM 1610 CB PHE A 106 -6.828 7.477 -1.464 1.00 13.14 C ATOM 1611 CG PHE A 106 -7.619 8.157 -2.564 1.00 42.22 C ATOM 1612 CD1 PHE A 106 -7.137 8.153 -3.883 1.00 14.23 C ATOM 1613 CD2 PHE A 106 -8.816 8.830 -2.255 1.00 61.12 C ATOM 1614 CE1 PHE A 106 -7.844 8.829 -4.893 1.00 64.50 C ATOM 1615 CE2 PHE A 106 -9.523 9.505 -3.262 1.00 10.42 C ATOM 1616 CZ PHE A 106 -9.031 9.512 -4.578 1.00 41.30 C ATOM 0 H PHE A 106 -5.694 10.235 -1.591 1.00 64.41 H new ATOM 0 HA PHE A 106 -5.582 7.949 0.205 1.00 3.13 H new ATOM 0 HB2 PHE A 106 -6.375 6.574 -1.874 1.00 13.14 H new ATOM 0 HB3 PHE A 106 -7.523 7.160 -0.687 1.00 13.14 H new ATOM 0 HD1 PHE A 106 -6.223 7.630 -4.122 1.00 14.23 H new ATOM 0 HD2 PHE A 106 -9.191 8.827 -1.242 1.00 61.12 H new ATOM 0 HE1 PHE A 106 -7.476 8.823 -5.908 1.00 64.50 H new ATOM 0 HE2 PHE A 106 -10.444 10.018 -3.026 1.00 10.42 H new ATOM 0 HZ PHE A 106 -9.567 10.044 -5.350 1.00 41.30 H new ATOM 1626 N ASP A 107 -3.660 7.150 -1.396 1.00 64.43 N ATOM 1627 CA ASP A 107 -2.555 6.754 -2.260 1.00 42.42 C ATOM 1628 C ASP A 107 -2.403 5.258 -2.053 1.00 21.34 C ATOM 1629 O ASP A 107 -1.996 4.817 -0.976 1.00 71.24 O ATOM 1630 CB ASP A 107 -1.257 7.504 -1.918 1.00 63.33 C ATOM 1631 CG ASP A 107 -0.209 7.506 -3.040 1.00 3.44 C ATOM 1632 OD1 ASP A 107 -0.564 7.655 -4.234 1.00 21.52 O ATOM 1633 OD2 ASP A 107 1.006 7.499 -2.729 1.00 65.11 O ATOM 0 H ASP A 107 -3.794 6.527 -0.600 1.00 64.43 H new ATOM 0 HA ASP A 107 -2.759 7.002 -3.302 1.00 42.42 H new ATOM 0 HB2 ASP A 107 -1.504 8.536 -1.667 1.00 63.33 H new ATOM 0 HB3 ASP A 107 -0.817 7.055 -1.027 1.00 63.33 H new ATOM 1638 N GLU A 108 -2.840 4.468 -3.025 1.00 44.32 N ATOM 1639 CA GLU A 108 -2.654 3.022 -2.989 1.00 4.31 C ATOM 1640 C GLU A 108 -1.275 2.670 -3.548 1.00 42.05 C ATOM 1641 O GLU A 108 -0.652 3.458 -4.267 1.00 14.12 O ATOM 1642 CB GLU A 108 -3.797 2.287 -3.727 1.00 33.11 C ATOM 1643 CG GLU A 108 -3.714 2.431 -5.239 1.00 14.15 C ATOM 1644 CD GLU A 108 -4.872 1.822 -6.030 1.00 2.05 C ATOM 1645 OE1 GLU A 108 -5.698 1.048 -5.495 1.00 23.53 O ATOM 1646 OE2 GLU A 108 -4.918 2.147 -7.242 1.00 3.01 O ATOM 0 H GLU A 108 -3.329 4.807 -3.854 1.00 44.32 H new ATOM 0 HA GLU A 108 -2.696 2.681 -1.955 1.00 4.31 H new ATOM 0 HB2 GLU A 108 -3.770 1.229 -3.466 1.00 33.11 H new ATOM 0 HB3 GLU A 108 -4.755 2.676 -3.382 1.00 33.11 H new ATOM 0 HG2 GLU A 108 -3.652 3.492 -5.481 1.00 14.15 H new ATOM 0 HG3 GLU A 108 -2.786 1.972 -5.578 1.00 14.15 H new ATOM 1653 N PHE A 109 -0.844 1.441 -3.300 1.00 64.12 N ATOM 1654 CA PHE A 109 0.385 0.865 -3.812 1.00 23.21 C ATOM 1655 C PHE A 109 0.023 -0.494 -4.400 1.00 64.33 C ATOM 1656 O PHE A 109 -0.378 -1.398 -3.663 1.00 43.23 O ATOM 1657 CB PHE A 109 1.417 0.743 -2.682 1.00 70.23 C ATOM 1658 CG PHE A 109 1.692 2.009 -1.892 1.00 30.10 C ATOM 1659 CD1 PHE A 109 2.144 3.167 -2.552 1.00 5.32 C ATOM 1660 CD2 PHE A 109 1.456 2.038 -0.500 1.00 12.41 C ATOM 1661 CE1 PHE A 109 2.347 4.352 -1.823 1.00 41.45 C ATOM 1662 CE2 PHE A 109 1.642 3.235 0.219 1.00 52.42 C ATOM 1663 CZ PHE A 109 2.099 4.388 -0.441 1.00 51.23 C ATOM 0 H PHE A 109 -1.366 0.793 -2.711 1.00 64.12 H new ATOM 0 HA PHE A 109 0.836 1.492 -4.581 1.00 23.21 H new ATOM 0 HB2 PHE A 109 1.078 -0.027 -1.989 1.00 70.23 H new ATOM 0 HB3 PHE A 109 2.357 0.395 -3.111 1.00 70.23 H new ATOM 0 HD1 PHE A 109 2.334 3.145 -3.615 1.00 5.32 H new ATOM 0 HD2 PHE A 109 1.133 1.144 0.013 1.00 12.41 H new ATOM 0 HE1 PHE A 109 2.696 5.240 -2.329 1.00 41.45 H new ATOM 0 HE2 PHE A 109 1.433 3.266 1.278 1.00 52.42 H new ATOM 0 HZ PHE A 109 2.259 5.301 0.114 1.00 51.23 H new ATOM 1673 N LYS A 110 0.116 -0.636 -5.721 1.00 54.15 N ATOM 1674 CA LYS A 110 0.064 -1.919 -6.407 1.00 32.14 C ATOM 1675 C LYS A 110 1.423 -2.577 -6.163 1.00 44.11 C ATOM 1676 O LYS A 110 2.441 -1.922 -6.390 1.00 12.10 O ATOM 1677 CB LYS A 110 -0.189 -1.714 -7.916 1.00 45.33 C ATOM 1678 CG LYS A 110 -1.616 -1.298 -8.326 1.00 50.34 C ATOM 1679 CD LYS A 110 -2.101 0.130 -8.011 1.00 61.15 C ATOM 1680 CE LYS A 110 -1.428 1.189 -8.891 1.00 11.32 C ATOM 1681 NZ LYS A 110 -2.077 2.515 -8.777 1.00 45.20 N ATOM 0 H LYS A 110 0.232 0.155 -6.354 1.00 54.15 H new ATOM 0 HA LYS A 110 -0.749 -2.543 -6.036 1.00 32.14 H new ATOM 0 HB2 LYS A 110 0.504 -0.955 -8.278 1.00 45.33 H new ATOM 0 HB3 LYS A 110 0.057 -2.642 -8.432 1.00 45.33 H new ATOM 0 HG2 LYS A 110 -1.704 -1.445 -9.402 1.00 50.34 H new ATOM 0 HG3 LYS A 110 -2.309 -1.992 -7.852 1.00 50.34 H new ATOM 0 HD2 LYS A 110 -3.181 0.182 -8.149 1.00 61.15 H new ATOM 0 HD3 LYS A 110 -1.902 0.354 -6.963 1.00 61.15 H new ATOM 0 HE2 LYS A 110 -0.378 1.276 -8.611 1.00 11.32 H new ATOM 0 HE3 LYS A 110 -1.454 0.863 -9.931 1.00 11.32 H new ATOM 0 HZ1 LYS A 110 -2.231 2.909 -9.727 1.00 45.20 H new ATOM 0 HZ2 LYS A 110 -2.992 2.413 -8.292 1.00 45.20 H new ATOM 0 HZ3 LYS A 110 -1.465 3.155 -8.231 1.00 45.20 H new ATOM 1695 N PHE A 111 1.469 -3.820 -5.685 1.00 54.42 N ATOM 1696 CA PHE A 111 2.698 -4.611 -5.640 1.00 11.31 C ATOM 1697 C PHE A 111 2.503 -5.816 -6.553 1.00 42.05 C ATOM 1698 O PHE A 111 1.393 -6.322 -6.674 1.00 51.21 O ATOM 1699 CB PHE A 111 3.028 -5.081 -4.214 1.00 44.42 C ATOM 1700 CG PHE A 111 3.533 -4.041 -3.220 1.00 41.41 C ATOM 1701 CD1 PHE A 111 2.679 -3.045 -2.715 1.00 43.05 C ATOM 1702 CD2 PHE A 111 4.838 -4.128 -2.701 1.00 12.11 C ATOM 1703 CE1 PHE A 111 3.058 -2.229 -1.646 1.00 24.42 C ATOM 1704 CE2 PHE A 111 5.248 -3.279 -1.657 1.00 44.03 C ATOM 1705 CZ PHE A 111 4.351 -2.344 -1.112 1.00 5.01 C ATOM 0 H PHE A 111 0.652 -4.308 -5.317 1.00 54.42 H new ATOM 0 HA PHE A 111 3.534 -3.995 -5.970 1.00 11.31 H new ATOM 0 HB2 PHE A 111 2.130 -5.536 -3.795 1.00 44.42 H new ATOM 0 HB3 PHE A 111 3.779 -5.867 -4.286 1.00 44.42 H new ATOM 0 HD1 PHE A 111 1.707 -2.907 -3.164 1.00 43.05 H new ATOM 0 HD2 PHE A 111 5.530 -4.851 -3.107 1.00 12.11 H new ATOM 0 HE1 PHE A 111 2.361 -1.515 -1.233 1.00 24.42 H new ATOM 0 HE2 PHE A 111 6.255 -3.346 -1.273 1.00 44.03 H new ATOM 0 HZ PHE A 111 4.655 -1.717 -0.287 1.00 5.01 H new ATOM 1715 N VAL A 112 3.577 -6.312 -7.162 1.00 52.43 N ATOM 1716 CA VAL A 112 3.582 -7.457 -8.067 1.00 74.44 C ATOM 1717 C VAL A 112 4.755 -8.342 -7.665 1.00 52.44 C ATOM 1718 O VAL A 112 5.888 -7.862 -7.673 1.00 72.33 O ATOM 1719 CB VAL A 112 3.636 -6.981 -9.538 1.00 13.13 C ATOM 1720 CG1 VAL A 112 4.642 -5.850 -9.817 1.00 15.13 C ATOM 1721 CG2 VAL A 112 4.001 -8.130 -10.495 1.00 52.14 C ATOM 0 H VAL A 112 4.506 -5.910 -7.033 1.00 52.43 H new ATOM 0 HA VAL A 112 2.665 -8.042 -7.991 1.00 74.44 H new ATOM 0 HB VAL A 112 2.628 -6.605 -9.712 1.00 13.13 H new ATOM 0 HG11 VAL A 112 4.607 -5.585 -10.874 1.00 15.13 H new ATOM 0 HG12 VAL A 112 4.385 -4.978 -9.215 1.00 15.13 H new ATOM 0 HG13 VAL A 112 5.647 -6.185 -9.560 1.00 15.13 H new ATOM 0 HG21 VAL A 112 4.029 -7.756 -11.518 1.00 52.14 H new ATOM 0 HG22 VAL A 112 4.979 -8.529 -10.228 1.00 52.14 H new ATOM 0 HG23 VAL A 112 3.253 -8.919 -10.417 1.00 52.14 H new ATOM 1731 N GLN A 113 4.489 -9.605 -7.325 1.00 5.40 N ATOM 1732 CA GLN A 113 5.495 -10.585 -6.953 1.00 65.54 C ATOM 1733 C GLN A 113 5.605 -11.636 -8.064 1.00 43.31 C ATOM 1734 O GLN A 113 4.632 -12.345 -8.340 1.00 24.12 O ATOM 1735 CB GLN A 113 5.178 -11.164 -5.556 1.00 62.23 C ATOM 1736 CG GLN A 113 6.284 -12.159 -5.165 1.00 61.34 C ATOM 1737 CD GLN A 113 6.076 -12.856 -3.826 1.00 24.50 C ATOM 1738 OE1 GLN A 113 5.057 -13.500 -3.587 1.00 52.34 O ATOM 1739 NE2 GLN A 113 7.066 -12.781 -2.954 1.00 44.41 N ATOM 0 H GLN A 113 3.540 -9.978 -7.302 1.00 5.40 H new ATOM 0 HA GLN A 113 6.479 -10.125 -6.862 1.00 65.54 H new ATOM 0 HB2 GLN A 113 5.116 -10.362 -4.821 1.00 62.23 H new ATOM 0 HB3 GLN A 113 4.209 -11.663 -5.566 1.00 62.23 H new ATOM 0 HG2 GLN A 113 6.363 -12.917 -5.944 1.00 61.34 H new ATOM 0 HG3 GLN A 113 7.236 -11.629 -5.138 1.00 61.34 H new ATOM 0 HE21 GLN A 113 7.902 -12.240 -3.176 1.00 44.41 H new ATOM 0 HE22 GLN A 113 6.995 -13.264 -2.059 1.00 44.41 H new ATOM 1748 N ASP A 114 6.779 -11.745 -8.700 1.00 12.33 N ATOM 1749 CA ASP A 114 7.084 -12.760 -9.723 1.00 31.52 C ATOM 1750 C ASP A 114 6.956 -14.184 -9.168 1.00 12.42 C ATOM 1751 O ASP A 114 7.066 -14.409 -7.963 1.00 61.24 O ATOM 1752 CB ASP A 114 8.493 -12.577 -10.315 1.00 11.43 C ATOM 1753 CG ASP A 114 8.470 -11.853 -11.662 1.00 3.03 C ATOM 1754 OD1 ASP A 114 8.394 -10.607 -11.695 1.00 52.31 O ATOM 1755 OD2 ASP A 114 8.525 -12.542 -12.710 1.00 32.14 O ATOM 0 H ASP A 114 7.562 -11.117 -8.515 1.00 12.33 H new ATOM 0 HA ASP A 114 6.348 -12.618 -10.514 1.00 31.52 H new ATOM 0 HB2 ASP A 114 9.109 -12.014 -9.613 1.00 11.43 H new ATOM 0 HB3 ASP A 114 8.962 -13.553 -10.438 1.00 11.43 H new ATOM 1760 N ALA A 115 6.739 -15.154 -10.055 1.00 71.13 N ATOM 1761 CA ALA A 115 6.656 -16.582 -9.744 1.00 13.11 C ATOM 1762 C ALA A 115 8.019 -17.120 -9.339 1.00 64.34 C ATOM 1763 O ALA A 115 9.036 -16.645 -9.850 1.00 75.32 O ATOM 1764 CB ALA A 115 6.237 -17.313 -11.014 1.00 72.51 C ATOM 0 H ALA A 115 6.611 -14.960 -11.048 1.00 71.13 H new ATOM 0 HA ALA A 115 5.947 -16.730 -8.929 1.00 13.11 H new ATOM 0 HB1 ALA A 115 6.167 -18.382 -10.812 1.00 72.51 H new ATOM 0 HB2 ALA A 115 5.267 -16.942 -11.344 1.00 72.51 H new ATOM 0 HB3 ALA A 115 6.977 -17.139 -11.795 1.00 72.51 H new ATOM 1770 N ALA A 116 8.036 -18.165 -8.513 1.00 43.13 N ATOM 1771 CA ALA A 116 9.254 -18.890 -8.201 1.00 54.21 C ATOM 1772 C ALA A 116 9.550 -19.830 -9.359 1.00 40.25 C ATOM 1773 O ALA A 116 8.761 -20.728 -9.655 1.00 11.11 O ATOM 1774 CB ALA A 116 9.087 -19.658 -6.895 1.00 51.45 C ATOM 0 H ALA A 116 7.205 -18.528 -8.045 1.00 43.13 H new ATOM 0 HA ALA A 116 10.088 -18.201 -8.069 1.00 54.21 H new ATOM 0 HB1 ALA A 116 10.007 -20.198 -6.670 1.00 51.45 H new ATOM 0 HB2 ALA A 116 8.870 -18.959 -6.087 1.00 51.45 H new ATOM 0 HB3 ALA A 116 8.264 -20.367 -6.992 1.00 51.45 H new ATOM 1780 N LYS A 117 10.679 -19.619 -10.031 1.00 21.34 N ATOM 1781 CA LYS A 117 11.123 -20.435 -11.154 1.00 74.13 C ATOM 1782 C LYS A 117 11.845 -21.684 -10.651 1.00 44.04 C ATOM 1783 O LYS A 117 13.004 -21.934 -11.006 1.00 43.43 O ATOM 1784 CB LYS A 117 11.973 -19.571 -12.093 1.00 72.34 C ATOM 1785 CG LYS A 117 11.968 -20.178 -13.501 1.00 41.32 C ATOM 1786 CD LYS A 117 12.626 -19.210 -14.483 1.00 15.13 C ATOM 1787 CE LYS A 117 12.259 -19.522 -15.934 1.00 44.15 C ATOM 1788 NZ LYS A 117 10.843 -19.220 -16.231 1.00 32.30 N ATOM 0 H LYS A 117 11.322 -18.861 -9.804 1.00 21.34 H new ATOM 0 HA LYS A 117 10.270 -20.796 -11.729 1.00 74.13 H new ATOM 0 HB2 LYS A 117 11.580 -18.555 -12.123 1.00 72.34 H new ATOM 0 HB3 LYS A 117 12.994 -19.506 -11.718 1.00 72.34 H new ATOM 0 HG2 LYS A 117 12.502 -21.128 -13.499 1.00 41.32 H new ATOM 0 HG3 LYS A 117 10.945 -20.388 -13.813 1.00 41.32 H new ATOM 0 HD2 LYS A 117 12.323 -18.191 -14.244 1.00 15.13 H new ATOM 0 HD3 LYS A 117 13.709 -19.256 -14.366 1.00 15.13 H new ATOM 0 HE2 LYS A 117 12.899 -18.944 -16.601 1.00 44.15 H new ATOM 0 HE3 LYS A 117 12.454 -20.575 -16.138 1.00 44.15 H new ATOM 0 HZ1 LYS A 117 10.697 -19.218 -17.261 1.00 32.30 H new ATOM 0 HZ2 LYS A 117 10.235 -19.944 -15.797 1.00 32.30 H new ATOM 0 HZ3 LYS A 117 10.599 -18.286 -15.845 1.00 32.30 H new ATOM 1802 N GLN A 118 11.205 -22.425 -9.755 1.00 42.14 N ATOM 1803 CA GLN A 118 11.776 -23.578 -9.074 1.00 42.45 C ATOM 1804 C GLN A 118 11.400 -24.859 -9.816 1.00 11.12 C ATOM 1805 O GLN A 118 11.105 -24.762 -11.035 1.00 22.30 O ATOM 1806 CB GLN A 118 11.326 -23.539 -7.605 1.00 14.14 C ATOM 1807 CG GLN A 118 9.796 -23.556 -7.424 1.00 72.43 C ATOM 1808 CD GLN A 118 9.428 -23.818 -5.972 1.00 61.14 C ATOM 1809 OE1 GLN A 118 9.050 -22.924 -5.221 1.00 31.12 O ATOM 1810 NE2 GLN A 118 9.586 -25.050 -5.527 1.00 61.45 N ATOM 0 H GLN A 118 10.243 -22.233 -9.474 1.00 42.14 H new ATOM 0 HA GLN A 118 12.866 -23.553 -9.077 1.00 42.45 H new ATOM 0 HB2 GLN A 118 11.754 -24.393 -7.080 1.00 14.14 H new ATOM 0 HB3 GLN A 118 11.728 -22.642 -7.135 1.00 14.14 H new ATOM 0 HG2 GLN A 118 9.377 -22.602 -7.744 1.00 72.43 H new ATOM 0 HG3 GLN A 118 9.358 -24.326 -8.060 1.00 72.43 H new ATOM 0 HE21 GLN A 118 9.901 -25.785 -6.161 1.00 61.45 H new ATOM 0 HE22 GLN A 118 9.393 -25.268 -4.549 1.00 61.45 H new