USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 555 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 65 LYS NZ :NH3+ 166:sc= 0.788 (180deg=0.25) USER MOD Set 1.2: A 66 CYS SG : rot -134:sc= 0.0804 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -170:sc= -0.0115 (180deg=-0.132) USER MOD Set 4.1: A 18 SER OG : rot 178:sc= 1.13 USER MOD Set 4.2: A 21 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 10 HIS : no HE2:sc= 0.243 K(o=0.24,f=-3!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.623 K(o=-0.62,f=-1.4) USER MOD Single : A 19 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.091) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0195 (180deg=-0.224) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -146:sc= -0.139 (180deg=-0.573) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 21:sc= -2.13 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0738 F(o=-1.6,f=-0.074) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.696 F(o=-1.3,f=-0.7) USER MOD Single : A 55 SER OG : rot -95:sc= 0.992 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 SER OG : rot 180:sc= -0.203 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 73 TYR OH : rot 165:sc= -0.0852 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.153 (180deg=-0.907) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0516) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.723 1.833 -2.615 1.00 51.54 N ATOM 147 CA HIS A 10 12.672 2.477 -3.406 1.00 3.42 C ATOM 148 C HIS A 10 11.286 1.901 -3.068 1.00 2.42 C ATOM 149 O HIS A 10 10.912 0.836 -3.559 1.00 24.11 O ATOM 150 CB HIS A 10 12.953 2.308 -4.903 1.00 40.32 C ATOM 151 CG HIS A 10 13.993 3.231 -5.455 1.00 70.52 C ATOM 152 ND1 HIS A 10 13.882 3.817 -6.699 1.00 62.55 N ATOM 153 CD2 HIS A 10 15.167 3.670 -4.940 1.00 23.13 C ATOM 154 CE1 HIS A 10 14.934 4.576 -6.924 1.00 61.34 C ATOM 155 NE2 HIS A 10 15.727 4.505 -5.876 1.00 71.34 N ATOM 0 HA HIS A 10 12.672 3.538 -3.157 1.00 3.42 H new ATOM 0 HB2 HIS A 10 13.266 1.280 -5.086 1.00 40.32 H new ATOM 0 HB3 HIS A 10 12.024 2.461 -5.452 1.00 40.32 H new ATOM 0 HD1 HIS A 10 13.104 3.683 -7.345 1.00 62.55 H new ATOM 0 HD2 HIS A 10 15.583 3.412 -3.977 1.00 23.13 H new ATOM 0 HE1 HIS A 10 15.115 5.157 -7.816 1.00 61.34 H new ATOM 164 N MET A 11 10.546 2.599 -2.209 1.00 73.25 N ATOM 165 CA MET A 11 9.176 2.201 -1.844 1.00 55.45 C ATOM 166 C MET A 11 8.130 3.126 -2.493 1.00 32.33 C ATOM 167 O MET A 11 7.046 2.686 -2.881 1.00 20.21 O ATOM 168 CB MET A 11 9.006 2.211 -0.316 1.00 22.32 C ATOM 169 CG MET A 11 9.895 1.207 0.414 1.00 23.12 C ATOM 170 SD MET A 11 9.650 1.225 2.206 1.00 64.33 S ATOM 171 CE MET A 11 10.755 -0.093 2.719 1.00 53.44 C ATOM 0 H MET A 11 10.869 3.449 -1.747 1.00 73.25 H new ATOM 0 HA MET A 11 9.014 1.190 -2.218 1.00 55.45 H new ATOM 0 HB2 MET A 11 9.223 3.212 0.057 1.00 22.32 H new ATOM 0 HB3 MET A 11 7.964 2.001 -0.075 1.00 22.32 H new ATOM 0 HG2 MET A 11 9.692 0.206 0.034 1.00 23.12 H new ATOM 0 HG3 MET A 11 10.940 1.426 0.193 1.00 23.12 H new ATOM 0 HE1 MET A 11 10.713 -0.202 3.803 1.00 53.44 H new ATOM 0 HE2 MET A 11 10.450 -1.028 2.248 1.00 53.44 H new ATOM 0 HE3 MET A 11 11.774 0.149 2.418 1.00 53.44 H new ATOM 181 N LEU A 12 8.470 4.409 -2.610 1.00 23.13 N ATOM 182 CA LEU A 12 7.547 5.411 -3.160 1.00 21.41 C ATOM 183 C LEU A 12 7.460 5.370 -4.707 1.00 24.32 C ATOM 184 O LEU A 12 6.360 5.475 -5.254 1.00 52.15 O ATOM 185 CB LEU A 12 7.911 6.824 -2.665 1.00 50.51 C ATOM 186 CG LEU A 12 7.636 7.095 -1.168 1.00 72.01 C ATOM 187 CD1 LEU A 12 8.569 6.286 -0.270 1.00 12.45 C ATOM 188 CD2 LEU A 12 7.751 8.587 -0.857 1.00 71.51 C ATOM 0 H LEU A 12 9.377 4.783 -2.332 1.00 23.13 H new ATOM 0 HA LEU A 12 6.555 5.155 -2.789 1.00 21.41 H new ATOM 0 HB2 LEU A 12 8.970 6.997 -2.859 1.00 50.51 H new ATOM 0 HB3 LEU A 12 7.355 7.552 -3.256 1.00 50.51 H new ATOM 0 HG LEU A 12 6.615 6.775 -0.959 1.00 72.01 H new ATOM 0 HD11 LEU A 12 8.346 6.502 0.775 1.00 12.45 H new ATOM 0 HD12 LEU A 12 8.424 5.222 -0.459 1.00 12.45 H new ATOM 0 HD13 LEU A 12 9.603 6.555 -0.484 1.00 12.45 H new ATOM 0 HD21 LEU A 12 7.554 8.754 0.202 1.00 71.51 H new ATOM 0 HD22 LEU A 12 8.756 8.932 -1.098 1.00 71.51 H new ATOM 0 HD23 LEU A 12 7.025 9.140 -1.453 1.00 71.51 H new ATOM 200 N PRO A 13 8.596 5.241 -5.444 1.00 32.23 N ATOM 201 CA PRO A 13 8.579 5.102 -6.923 1.00 32.44 C ATOM 202 C PRO A 13 7.724 3.905 -7.421 1.00 64.43 C ATOM 203 O PRO A 13 7.154 3.163 -6.616 1.00 4.02 O ATOM 204 CB PRO A 13 10.065 4.892 -7.266 1.00 72.33 C ATOM 205 CG PRO A 13 10.808 5.521 -6.140 1.00 10.14 C ATOM 206 CD PRO A 13 9.977 5.256 -4.918 1.00 12.33 C ATOM 0 HA PRO A 13 8.125 5.968 -7.404 1.00 32.44 H new ATOM 0 HB2 PRO A 13 10.304 3.832 -7.355 1.00 72.33 H new ATOM 0 HB3 PRO A 13 10.321 5.358 -8.218 1.00 72.33 H new ATOM 0 HG2 PRO A 13 11.805 5.092 -6.038 1.00 10.14 H new ATOM 0 HG3 PRO A 13 10.937 6.591 -6.303 1.00 10.14 H new ATOM 0 HD2 PRO A 13 10.240 4.307 -4.451 1.00 12.33 H new ATOM 0 HD3 PRO A 13 10.112 6.031 -4.164 1.00 12.33 H new ATOM 214 N PRO A 14 7.579 3.719 -8.758 1.00 62.11 N ATOM 215 CA PRO A 14 6.861 2.553 -9.325 1.00 4.44 C ATOM 216 C PRO A 14 7.427 1.203 -8.832 1.00 65.43 C ATOM 217 O PRO A 14 6.798 0.519 -8.028 1.00 12.20 O ATOM 218 CB PRO A 14 7.054 2.713 -10.841 1.00 2.34 C ATOM 219 CG PRO A 14 7.304 4.171 -11.039 1.00 35.11 C ATOM 220 CD PRO A 14 8.065 4.627 -9.820 1.00 33.40 C ATOM 0 HA PRO A 14 5.815 2.535 -9.020 1.00 4.44 H new ATOM 0 HB2 PRO A 14 7.892 2.115 -11.199 1.00 2.34 H new ATOM 0 HB3 PRO A 14 6.171 2.384 -11.390 1.00 2.34 H new ATOM 0 HG2 PRO A 14 7.879 4.349 -11.948 1.00 35.11 H new ATOM 0 HG3 PRO A 14 6.367 4.718 -11.142 1.00 35.11 H new ATOM 0 HD2 PRO A 14 9.142 4.540 -9.962 1.00 33.40 H new ATOM 0 HD3 PRO A 14 7.858 5.671 -9.583 1.00 33.40 H new ATOM 228 N GLU A 15 8.605 0.822 -9.348 1.00 2.44 N ATOM 229 CA GLU A 15 9.377 -0.332 -8.837 1.00 32.44 C ATOM 230 C GLU A 15 8.709 -1.707 -9.066 1.00 14.21 C ATOM 231 O GLU A 15 9.322 -2.737 -8.775 1.00 21.21 O ATOM 232 CB GLU A 15 9.675 -0.146 -7.342 1.00 42.22 C ATOM 233 CG GLU A 15 10.443 1.133 -7.014 1.00 1.14 C ATOM 234 CD GLU A 15 11.769 1.238 -7.753 1.00 64.22 C ATOM 235 OE1 GLU A 15 12.535 0.253 -7.748 1.00 64.54 O ATOM 236 OE2 GLU A 15 12.067 2.313 -8.323 1.00 73.14 O ATOM 0 H GLU A 15 9.053 1.301 -10.130 1.00 2.44 H new ATOM 0 HA GLU A 15 10.299 -0.346 -9.419 1.00 32.44 H new ATOM 0 HB2 GLU A 15 8.734 -0.143 -6.792 1.00 42.22 H new ATOM 0 HB3 GLU A 15 10.248 -1.003 -6.987 1.00 42.22 H new ATOM 0 HG2 GLU A 15 9.825 1.995 -7.264 1.00 1.14 H new ATOM 0 HG3 GLU A 15 10.628 1.174 -5.941 1.00 1.14 H new ATOM 243 N GLN A 16 7.485 -1.717 -9.598 1.00 50.13 N ATOM 244 CA GLN A 16 6.713 -2.955 -9.816 1.00 4.02 C ATOM 245 C GLN A 16 6.264 -3.578 -8.482 1.00 34.42 C ATOM 246 O GLN A 16 7.081 -4.027 -7.677 1.00 60.23 O ATOM 247 CB GLN A 16 7.513 -3.972 -10.662 1.00 13.11 C ATOM 248 CG GLN A 16 6.686 -5.150 -11.193 1.00 54.32 C ATOM 249 CD GLN A 16 6.423 -6.244 -10.162 1.00 71.41 C ATOM 250 OE1 GLN A 16 7.240 -6.505 -9.286 1.00 24.13 O ATOM 251 NE2 GLN A 16 5.280 -6.893 -10.257 1.00 13.15 N ATOM 0 H GLN A 16 6.996 -0.871 -9.892 1.00 50.13 H new ATOM 0 HA GLN A 16 5.816 -2.688 -10.375 1.00 4.02 H new ATOM 0 HB2 GLN A 16 7.961 -3.449 -11.507 1.00 13.11 H new ATOM 0 HB3 GLN A 16 8.332 -4.363 -10.058 1.00 13.11 H new ATOM 0 HG2 GLN A 16 5.731 -4.773 -11.558 1.00 54.32 H new ATOM 0 HG3 GLN A 16 7.204 -5.587 -12.047 1.00 54.32 H new ATOM 0 HE21 GLN A 16 4.618 -6.655 -10.996 1.00 13.15 H new ATOM 0 HE22 GLN A 16 5.057 -7.633 -9.592 1.00 13.15 H new ATOM 260 N TRP A 17 4.952 -3.605 -8.258 1.00 4.44 N ATOM 261 CA TRP A 17 4.384 -4.149 -7.019 1.00 41.24 C ATOM 262 C TRP A 17 3.982 -5.622 -7.178 1.00 1.34 C ATOM 263 O TRP A 17 2.990 -5.938 -7.840 1.00 64.23 O ATOM 264 CB TRP A 17 3.158 -3.328 -6.593 1.00 53.02 C ATOM 265 CG TRP A 17 3.444 -1.865 -6.439 1.00 45.43 C ATOM 266 CD1 TRP A 17 3.425 -0.925 -7.425 1.00 4.11 C ATOM 267 CD2 TRP A 17 3.797 -1.177 -5.232 1.00 44.05 C ATOM 268 NE1 TRP A 17 3.746 0.305 -6.911 1.00 53.00 N ATOM 269 CE2 TRP A 17 3.979 0.177 -5.565 1.00 33.15 C ATOM 270 CE3 TRP A 17 3.974 -1.576 -3.903 1.00 12.25 C ATOM 271 CZ2 TRP A 17 4.332 1.135 -4.619 1.00 1.10 C ATOM 272 CZ3 TRP A 17 4.325 -0.624 -2.965 1.00 12.43 C ATOM 273 CH2 TRP A 17 4.500 0.718 -3.326 1.00 64.32 C ATOM 0 H TRP A 17 4.257 -3.256 -8.919 1.00 4.44 H new ATOM 0 HA TRP A 17 5.155 -4.087 -6.251 1.00 41.24 H new ATOM 0 HB2 TRP A 17 2.367 -3.460 -7.332 1.00 53.02 H new ATOM 0 HB3 TRP A 17 2.780 -3.718 -5.648 1.00 53.02 H new ATOM 0 HD1 TRP A 17 3.191 -1.120 -8.461 1.00 4.11 H new ATOM 0 HE1 TRP A 17 3.802 1.174 -7.443 1.00 53.00 H new ATOM 0 HE3 TRP A 17 3.839 -2.608 -3.616 1.00 12.25 H new ATOM 0 HZ2 TRP A 17 4.468 2.170 -4.895 1.00 1.10 H new ATOM 0 HZ3 TRP A 17 4.467 -0.920 -1.936 1.00 12.43 H new ATOM 0 HH2 TRP A 17 4.773 1.438 -2.569 1.00 64.32 H new ATOM 284 N SER A 18 4.756 -6.522 -6.570 1.00 21.02 N ATOM 285 CA SER A 18 4.418 -7.953 -6.567 1.00 63.41 C ATOM 286 C SER A 18 3.133 -8.208 -5.765 1.00 61.15 C ATOM 287 O SER A 18 2.646 -7.330 -5.044 1.00 44.21 O ATOM 288 CB SER A 18 5.562 -8.793 -5.975 1.00 21.13 C ATOM 289 OG SER A 18 5.684 -8.593 -4.574 1.00 10.40 O ATOM 0 H SER A 18 5.617 -6.291 -6.075 1.00 21.02 H new ATOM 0 HA SER A 18 4.261 -8.252 -7.603 1.00 63.41 H new ATOM 0 HB2 SER A 18 5.383 -9.849 -6.179 1.00 21.13 H new ATOM 0 HB3 SER A 18 6.500 -8.529 -6.464 1.00 21.13 H new ATOM 0 HG SER A 18 6.398 -9.165 -4.223 1.00 10.40 H new ATOM 295 N HIS A 19 2.593 -9.417 -5.876 1.00 15.23 N ATOM 296 CA HIS A 19 1.329 -9.768 -5.222 1.00 50.54 C ATOM 297 C HIS A 19 1.384 -9.550 -3.695 1.00 5.13 C ATOM 298 O HIS A 19 0.399 -9.116 -3.087 1.00 5.24 O ATOM 299 CB HIS A 19 0.965 -11.227 -5.527 1.00 44.42 C ATOM 300 CG HIS A 19 0.835 -11.529 -6.993 1.00 5.12 C ATOM 301 ND1 HIS A 19 1.368 -12.654 -7.579 1.00 21.24 N ATOM 302 CD2 HIS A 19 0.210 -10.856 -7.990 1.00 5.11 C ATOM 303 CE1 HIS A 19 1.086 -12.659 -8.865 1.00 21.01 C ATOM 304 NE2 HIS A 19 0.383 -11.581 -9.142 1.00 61.42 N ATOM 0 H HIS A 19 3.010 -10.176 -6.414 1.00 15.23 H new ATOM 0 HA HIS A 19 0.561 -9.106 -5.622 1.00 50.54 H new ATOM 0 HB2 HIS A 19 1.727 -11.878 -5.098 1.00 44.42 H new ATOM 0 HB3 HIS A 19 0.024 -11.468 -5.032 1.00 44.42 H new ATOM 0 HD2 HIS A 19 -0.325 -9.923 -7.895 1.00 5.11 H new ATOM 0 HE1 HIS A 19 1.381 -13.419 -9.573 1.00 21.01 H new ATOM 0 HE2 HIS A 19 0.025 -11.326 -10.063 1.00 61.42 H new ATOM 313 N THR A 20 2.544 -9.819 -3.095 1.00 1.44 N ATOM 314 CA THR A 20 2.694 -9.801 -1.628 1.00 51.44 C ATOM 315 C THR A 20 3.213 -8.453 -1.093 1.00 53.14 C ATOM 316 O THR A 20 2.779 -7.999 -0.036 1.00 4.13 O ATOM 317 CB THR A 20 3.655 -10.923 -1.150 1.00 74.43 C ATOM 318 OG1 THR A 20 3.287 -12.176 -1.751 1.00 42.33 O ATOM 319 CG2 THR A 20 3.635 -11.061 0.372 1.00 23.20 C ATOM 0 H THR A 20 3.400 -10.053 -3.599 1.00 1.44 H new ATOM 0 HA THR A 20 1.693 -9.965 -1.230 1.00 51.44 H new ATOM 0 HB THR A 20 4.665 -10.651 -1.457 1.00 74.43 H new ATOM 0 HG1 THR A 20 3.899 -12.878 -1.446 1.00 42.33 H new ATOM 0 HG21 THR A 20 4.318 -11.855 0.674 1.00 23.20 H new ATOM 0 HG22 THR A 20 3.947 -10.121 0.827 1.00 23.20 H new ATOM 0 HG23 THR A 20 2.625 -11.306 0.702 1.00 23.20 H new ATOM 327 N THR A 21 4.130 -7.812 -1.830 1.00 14.24 N ATOM 328 CA THR A 21 4.804 -6.573 -1.366 1.00 4.31 C ATOM 329 C THR A 21 3.822 -5.510 -0.833 1.00 33.53 C ATOM 330 O THR A 21 4.147 -4.763 0.094 1.00 33.05 O ATOM 331 CB THR A 21 5.665 -5.946 -2.495 1.00 20.01 C ATOM 332 OG1 THR A 21 6.707 -6.859 -2.879 1.00 60.11 O ATOM 333 CG2 THR A 21 6.294 -4.623 -2.061 1.00 54.42 C ATOM 0 H THR A 21 4.429 -8.125 -2.754 1.00 14.24 H new ATOM 0 HA THR A 21 5.443 -6.881 -0.538 1.00 4.31 H new ATOM 0 HB THR A 21 5.005 -5.750 -3.340 1.00 20.01 H new ATOM 0 HG1 THR A 21 6.345 -7.527 -3.498 1.00 60.11 H new ATOM 0 HG21 THR A 21 6.888 -4.217 -2.879 1.00 54.42 H new ATOM 0 HG22 THR A 21 5.508 -3.915 -1.798 1.00 54.42 H new ATOM 0 HG23 THR A 21 6.935 -4.791 -1.196 1.00 54.42 H new ATOM 341 N VAL A 22 2.622 -5.457 -1.412 1.00 41.32 N ATOM 342 CA VAL A 22 1.582 -4.504 -0.986 1.00 44.53 C ATOM 343 C VAL A 22 1.336 -4.558 0.539 1.00 43.50 C ATOM 344 O VAL A 22 1.000 -3.549 1.164 1.00 23.05 O ATOM 345 CB VAL A 22 0.249 -4.774 -1.733 1.00 35.51 C ATOM 346 CG1 VAL A 22 -0.829 -3.772 -1.318 1.00 20.45 C ATOM 347 CG2 VAL A 22 0.466 -4.742 -3.247 1.00 12.21 C ATOM 0 H VAL A 22 2.340 -6.064 -2.182 1.00 41.32 H new ATOM 0 HA VAL A 22 1.946 -3.508 -1.238 1.00 44.53 H new ATOM 0 HB VAL A 22 -0.098 -5.770 -1.456 1.00 35.51 H new ATOM 0 HG11 VAL A 22 -1.752 -3.986 -1.858 1.00 20.45 H new ATOM 0 HG12 VAL A 22 -1.008 -3.854 -0.246 1.00 20.45 H new ATOM 0 HG13 VAL A 22 -0.497 -2.761 -1.554 1.00 20.45 H new ATOM 0 HG21 VAL A 22 -0.480 -4.933 -3.754 1.00 12.21 H new ATOM 0 HG22 VAL A 22 0.843 -3.762 -3.540 1.00 12.21 H new ATOM 0 HG23 VAL A 22 1.189 -5.508 -3.527 1.00 12.21 H new ATOM 357 N ARG A 23 1.525 -5.741 1.128 1.00 33.14 N ATOM 358 CA ARG A 23 1.334 -5.946 2.570 1.00 64.50 C ATOM 359 C ARG A 23 2.159 -4.951 3.404 1.00 3.21 C ATOM 360 O ARG A 23 1.662 -4.384 4.376 1.00 4.35 O ATOM 361 CB ARG A 23 1.732 -7.382 2.947 1.00 63.31 C ATOM 362 CG ARG A 23 1.472 -7.739 4.410 1.00 52.42 C ATOM 363 CD ARG A 23 2.083 -9.090 4.783 1.00 62.45 C ATOM 364 NE ARG A 23 3.544 -9.069 4.704 1.00 62.33 N ATOM 365 CZ ARG A 23 4.315 -10.090 4.968 1.00 52.34 C ATOM 366 NH1 ARG A 23 3.813 -11.233 5.306 1.00 34.10 N ATOM 367 NH2 ARG A 23 5.598 -9.960 4.888 1.00 12.54 N ATOM 0 H ARG A 23 1.813 -6.580 0.625 1.00 33.14 H new ATOM 0 HA ARG A 23 0.280 -5.778 2.791 1.00 64.50 H new ATOM 0 HB2 ARG A 23 1.184 -8.078 2.312 1.00 63.31 H new ATOM 0 HB3 ARG A 23 2.792 -7.522 2.733 1.00 63.31 H new ATOM 0 HG2 ARG A 23 1.887 -6.963 5.053 1.00 52.42 H new ATOM 0 HG3 ARG A 23 0.398 -7.763 4.593 1.00 52.42 H new ATOM 0 HD2 ARG A 23 1.778 -9.359 5.794 1.00 62.45 H new ATOM 0 HD3 ARG A 23 1.695 -9.860 4.117 1.00 62.45 H new ATOM 0 HE ARG A 23 3.992 -8.196 4.423 1.00 62.33 H new ATOM 0 HH11 ARG A 23 2.801 -11.347 5.370 1.00 34.10 H new ATOM 0 HH12 ARG A 23 4.429 -12.020 5.509 1.00 34.10 H new ATOM 0 HH21 ARG A 23 6.004 -9.064 4.620 1.00 12.54 H new ATOM 0 HH22 ARG A 23 6.205 -10.754 5.093 1.00 12.54 H new ATOM 381 N ASN A 24 3.414 -4.738 3.008 1.00 72.42 N ATOM 382 CA ASN A 24 4.329 -3.856 3.746 1.00 25.01 C ATOM 383 C ASN A 24 3.817 -2.404 3.784 1.00 43.41 C ATOM 384 O ASN A 24 3.856 -1.745 4.824 1.00 0.55 O ATOM 385 CB ASN A 24 5.727 -3.909 3.114 1.00 21.44 C ATOM 386 CG ASN A 24 6.746 -3.073 3.871 1.00 5.45 C ATOM 387 OD1 ASN A 24 7.386 -3.545 4.805 1.00 20.32 O ATOM 388 ND2 ASN A 24 6.914 -1.828 3.469 1.00 60.31 N ATOM 0 H ASN A 24 3.825 -5.164 2.177 1.00 72.42 H new ATOM 0 HA ASN A 24 4.380 -4.212 4.775 1.00 25.01 H new ATOM 0 HB2 ASN A 24 6.066 -4.944 3.079 1.00 21.44 H new ATOM 0 HB3 ASN A 24 5.669 -3.558 2.084 1.00 21.44 H new ATOM 0 HD21 ASN A 24 7.592 -1.228 3.938 1.00 60.31 H new ATOM 0 HD22 ASN A 24 6.366 -1.466 2.689 1.00 60.31 H new ATOM 395 N ALA A 25 3.335 -1.917 2.641 1.00 32.35 N ATOM 396 CA ALA A 25 2.804 -0.551 2.539 1.00 63.22 C ATOM 397 C ALA A 25 1.544 -0.379 3.402 1.00 22.21 C ATOM 398 O ALA A 25 1.425 0.578 4.170 1.00 42.22 O ATOM 399 CB ALA A 25 2.508 -0.208 1.082 1.00 64.23 C ATOM 0 H ALA A 25 3.300 -2.446 1.770 1.00 32.35 H new ATOM 0 HA ALA A 25 3.561 0.137 2.915 1.00 63.22 H new ATOM 0 HB1 ALA A 25 2.115 0.807 1.020 1.00 64.23 H new ATOM 0 HB2 ALA A 25 3.426 -0.278 0.498 1.00 64.23 H new ATOM 0 HB3 ALA A 25 1.772 -0.907 0.686 1.00 64.23 H new ATOM 405 N LEU A 26 0.610 -1.322 3.283 1.00 33.01 N ATOM 406 CA LEU A 26 -0.616 -1.304 4.089 1.00 74.43 C ATOM 407 C LEU A 26 -0.300 -1.470 5.587 1.00 62.30 C ATOM 408 O LEU A 26 -0.996 -0.929 6.442 1.00 21.35 O ATOM 409 CB LEU A 26 -1.572 -2.414 3.624 1.00 33.15 C ATOM 410 CG LEU A 26 -2.046 -2.307 2.164 1.00 74.23 C ATOM 411 CD1 LEU A 26 -2.914 -3.504 1.787 1.00 61.53 C ATOM 412 CD2 LEU A 26 -2.800 -0.998 1.938 1.00 24.20 C ATOM 0 H LEU A 26 0.676 -2.109 2.637 1.00 33.01 H new ATOM 0 HA LEU A 26 -1.097 -0.336 3.950 1.00 74.43 H new ATOM 0 HB2 LEU A 26 -1.077 -3.376 3.758 1.00 33.15 H new ATOM 0 HB3 LEU A 26 -2.447 -2.412 4.274 1.00 33.15 H new ATOM 0 HG LEU A 26 -1.167 -2.310 1.519 1.00 74.23 H new ATOM 0 HD11 LEU A 26 -3.238 -3.407 0.751 1.00 61.53 H new ATOM 0 HD12 LEU A 26 -2.338 -4.422 1.903 1.00 61.53 H new ATOM 0 HD13 LEU A 26 -3.788 -3.539 2.438 1.00 61.53 H new ATOM 0 HD21 LEU A 26 -3.127 -0.941 0.900 1.00 24.20 H new ATOM 0 HD22 LEU A 26 -3.669 -0.961 2.595 1.00 24.20 H new ATOM 0 HD23 LEU A 26 -2.143 -0.157 2.158 1.00 24.20 H new ATOM 424 N LYS A 27 0.760 -2.217 5.887 1.00 64.53 N ATOM 425 CA LYS A 27 1.199 -2.449 7.269 1.00 21.25 C ATOM 426 C LYS A 27 1.548 -1.128 7.979 1.00 61.11 C ATOM 427 O LYS A 27 1.239 -0.938 9.160 1.00 74.13 O ATOM 428 CB LYS A 27 2.404 -3.414 7.263 1.00 53.41 C ATOM 429 CG LYS A 27 2.968 -3.768 8.643 1.00 31.04 C ATOM 430 CD LYS A 27 4.026 -2.770 9.119 1.00 13.12 C ATOM 431 CE LYS A 27 4.529 -3.103 10.518 1.00 72.32 C ATOM 432 NZ LYS A 27 3.448 -3.027 11.536 1.00 2.21 N ATOM 0 H LYS A 27 1.339 -2.678 5.186 1.00 64.53 H new ATOM 0 HA LYS A 27 0.380 -2.901 7.829 1.00 21.25 H new ATOM 0 HB2 LYS A 27 2.107 -4.336 6.763 1.00 53.41 H new ATOM 0 HB3 LYS A 27 3.201 -2.970 6.666 1.00 53.41 H new ATOM 0 HG2 LYS A 27 2.154 -3.802 9.367 1.00 31.04 H new ATOM 0 HG3 LYS A 27 3.405 -4.766 8.608 1.00 31.04 H new ATOM 0 HD2 LYS A 27 4.864 -2.769 8.422 1.00 13.12 H new ATOM 0 HD3 LYS A 27 3.606 -1.764 9.114 1.00 13.12 H new ATOM 0 HE2 LYS A 27 4.957 -4.105 10.519 1.00 72.32 H new ATOM 0 HE3 LYS A 27 5.329 -2.414 10.788 1.00 72.32 H new ATOM 0 HZ1 LYS A 27 3.867 -3.025 12.488 1.00 2.21 H new ATOM 0 HZ2 LYS A 27 2.901 -2.154 11.397 1.00 2.21 H new ATOM 0 HZ3 LYS A 27 2.819 -3.849 11.437 1.00 2.21 H new ATOM 446 N ASP A 28 2.198 -0.217 7.254 1.00 31.05 N ATOM 447 CA ASP A 28 2.581 1.087 7.806 1.00 63.33 C ATOM 448 C ASP A 28 1.344 1.960 8.106 1.00 4.00 C ATOM 449 O ASP A 28 1.286 2.652 9.126 1.00 75.43 O ATOM 450 CB ASP A 28 3.523 1.806 6.830 1.00 42.42 C ATOM 451 CG ASP A 28 4.061 3.116 7.390 1.00 4.12 C ATOM 452 OD1 ASP A 28 5.106 3.095 8.077 1.00 35.03 O ATOM 453 OD2 ASP A 28 3.451 4.175 7.137 1.00 52.52 O ATOM 0 H ASP A 28 2.472 -0.357 6.281 1.00 31.05 H new ATOM 0 HA ASP A 28 3.099 0.920 8.750 1.00 63.33 H new ATOM 0 HB2 ASP A 28 4.358 1.149 6.587 1.00 42.42 H new ATOM 0 HB3 ASP A 28 2.992 2.004 5.899 1.00 42.42 H new ATOM 458 N LEU A 29 0.350 1.902 7.222 1.00 24.24 N ATOM 459 CA LEU A 29 -0.858 2.731 7.346 1.00 44.34 C ATOM 460 C LEU A 29 -1.871 2.153 8.351 1.00 33.12 C ATOM 461 O LEU A 29 -2.408 2.879 9.187 1.00 53.25 O ATOM 462 CB LEU A 29 -1.526 2.882 5.971 1.00 63.42 C ATOM 463 CG LEU A 29 -0.658 3.536 4.881 1.00 43.12 C ATOM 464 CD1 LEU A 29 -1.408 3.591 3.551 1.00 73.20 C ATOM 465 CD2 LEU A 29 -0.214 4.932 5.307 1.00 71.51 C ATOM 0 H LEU A 29 0.353 1.288 6.407 1.00 24.24 H new ATOM 0 HA LEU A 29 -0.544 3.704 7.724 1.00 44.34 H new ATOM 0 HB2 LEU A 29 -1.831 1.895 5.624 1.00 63.42 H new ATOM 0 HB3 LEU A 29 -2.434 3.473 6.091 1.00 63.42 H new ATOM 0 HG LEU A 29 0.233 2.922 4.745 1.00 43.12 H new ATOM 0 HD11 LEU A 29 -0.775 4.057 2.796 1.00 73.20 H new ATOM 0 HD12 LEU A 29 -1.664 2.580 3.236 1.00 73.20 H new ATOM 0 HD13 LEU A 29 -2.320 4.176 3.671 1.00 73.20 H new ATOM 0 HD21 LEU A 29 0.398 5.375 4.521 1.00 71.51 H new ATOM 0 HD22 LEU A 29 -1.091 5.556 5.479 1.00 71.51 H new ATOM 0 HD23 LEU A 29 0.369 4.864 6.226 1.00 71.51 H new ATOM 477 N LEU A 30 -2.116 0.846 8.271 1.00 0.10 N ATOM 478 CA LEU A 30 -3.181 0.185 9.048 1.00 10.52 C ATOM 479 C LEU A 30 -3.061 0.417 10.566 1.00 60.33 C ATOM 480 O LEU A 30 -4.066 0.625 11.249 1.00 25.43 O ATOM 481 CB LEU A 30 -3.185 -1.322 8.756 1.00 35.32 C ATOM 482 CG LEU A 30 -4.282 -2.126 9.475 1.00 34.34 C ATOM 483 CD1 LEU A 30 -5.667 -1.619 9.084 1.00 60.40 C ATOM 484 CD2 LEU A 30 -4.144 -3.614 9.171 1.00 2.04 C ATOM 0 H LEU A 30 -1.589 0.212 7.671 1.00 0.10 H new ATOM 0 HA LEU A 30 -4.121 0.636 8.732 1.00 10.52 H new ATOM 0 HB2 LEU A 30 -3.296 -1.467 7.681 1.00 35.32 H new ATOM 0 HB3 LEU A 30 -2.214 -1.732 9.035 1.00 35.32 H new ATOM 0 HG LEU A 30 -4.161 -1.985 10.549 1.00 34.34 H new ATOM 0 HD11 LEU A 30 -6.428 -2.201 9.604 1.00 60.40 H new ATOM 0 HD12 LEU A 30 -5.762 -0.569 9.361 1.00 60.40 H new ATOM 0 HD13 LEU A 30 -5.802 -1.724 8.008 1.00 60.40 H new ATOM 0 HD21 LEU A 30 -4.929 -4.165 9.689 1.00 2.04 H new ATOM 0 HD22 LEU A 30 -4.235 -3.776 8.097 1.00 2.04 H new ATOM 0 HD23 LEU A 30 -3.170 -3.966 9.510 1.00 2.04 H new ATOM 496 N LYS A 31 -1.840 0.378 11.097 1.00 11.11 N ATOM 497 CA LYS A 31 -1.629 0.533 12.547 1.00 40.44 C ATOM 498 C LYS A 31 -2.003 1.950 13.037 1.00 72.22 C ATOM 499 O LYS A 31 -2.110 2.200 14.241 1.00 13.32 O ATOM 500 CB LYS A 31 -0.166 0.203 12.904 1.00 34.33 C ATOM 501 CG LYS A 31 0.172 0.224 14.406 1.00 43.45 C ATOM 502 CD LYS A 31 -0.441 -0.948 15.192 1.00 24.15 C ATOM 503 CE LYS A 31 -1.925 -0.748 15.499 1.00 41.51 C ATOM 504 NZ LYS A 31 -2.491 -1.864 16.304 1.00 11.23 N ATOM 0 H LYS A 31 -0.986 0.242 10.557 1.00 11.11 H new ATOM 0 HA LYS A 31 -2.290 -0.168 13.057 1.00 40.44 H new ATOM 0 HB2 LYS A 31 0.072 -0.785 12.510 1.00 34.33 H new ATOM 0 HB3 LYS A 31 0.483 0.914 12.394 1.00 34.33 H new ATOM 0 HG2 LYS A 31 1.255 0.204 14.526 1.00 43.45 H new ATOM 0 HG3 LYS A 31 -0.179 1.162 14.836 1.00 43.45 H new ATOM 0 HD2 LYS A 31 -0.314 -1.868 14.621 1.00 24.15 H new ATOM 0 HD3 LYS A 31 0.104 -1.076 16.127 1.00 24.15 H new ATOM 0 HE2 LYS A 31 -2.059 0.190 16.038 1.00 41.51 H new ATOM 0 HE3 LYS A 31 -2.478 -0.660 14.564 1.00 41.51 H new ATOM 0 HZ1 LYS A 31 -3.499 -1.684 16.487 1.00 11.23 H new ATOM 0 HZ2 LYS A 31 -2.388 -2.757 15.780 1.00 11.23 H new ATOM 0 HZ3 LYS A 31 -1.982 -1.933 17.208 1.00 11.23 H new ATOM 518 N ASP A 32 -2.216 2.869 12.101 1.00 34.15 N ATOM 519 CA ASP A 32 -2.579 4.247 12.437 1.00 30.41 C ATOM 520 C ASP A 32 -3.990 4.592 11.924 1.00 33.43 C ATOM 521 O ASP A 32 -4.882 4.941 12.702 1.00 5.34 O ATOM 522 CB ASP A 32 -1.546 5.207 11.839 1.00 12.50 C ATOM 523 CG ASP A 32 -1.679 6.613 12.390 1.00 43.42 C ATOM 524 OD1 ASP A 32 -2.511 7.389 11.876 1.00 55.55 O ATOM 525 OD2 ASP A 32 -0.944 6.951 13.342 1.00 53.20 O ATOM 0 H ASP A 32 -2.144 2.687 11.100 1.00 34.15 H new ATOM 0 HA ASP A 32 -2.586 4.350 13.522 1.00 30.41 H new ATOM 0 HB2 ASP A 32 -0.543 4.832 12.045 1.00 12.50 H new ATOM 0 HB3 ASP A 32 -1.661 5.232 10.755 1.00 12.50 H new ATOM 530 N MET A 33 -4.178 4.478 10.614 1.00 35.34 N ATOM 531 CA MET A 33 -5.456 4.801 9.968 1.00 14.21 C ATOM 532 C MET A 33 -6.460 3.641 10.106 1.00 50.23 C ATOM 533 O MET A 33 -6.074 2.490 10.315 1.00 3.24 O ATOM 534 CB MET A 33 -5.219 5.112 8.483 1.00 64.23 C ATOM 535 CG MET A 33 -6.445 5.648 7.754 1.00 63.24 C ATOM 536 SD MET A 33 -6.169 5.870 5.987 1.00 42.22 S ATOM 537 CE MET A 33 -4.773 6.992 5.984 1.00 72.11 C ATOM 0 H MET A 33 -3.456 4.161 9.968 1.00 35.34 H new ATOM 0 HA MET A 33 -5.879 5.675 10.464 1.00 14.21 H new ATOM 0 HB2 MET A 33 -4.413 5.841 8.400 1.00 64.23 H new ATOM 0 HB3 MET A 33 -4.880 4.205 7.983 1.00 64.23 H new ATOM 0 HG2 MET A 33 -7.279 4.962 7.903 1.00 63.24 H new ATOM 0 HG3 MET A 33 -6.735 6.602 8.194 1.00 63.24 H new ATOM 0 HE1 MET A 33 -4.851 7.667 5.132 1.00 72.11 H new ATOM 0 HE2 MET A 33 -4.770 7.572 6.907 1.00 72.11 H new ATOM 0 HE3 MET A 33 -3.847 6.421 5.912 1.00 72.11 H new ATOM 547 N ASN A 34 -7.750 3.950 9.987 1.00 51.05 N ATOM 548 CA ASN A 34 -8.801 2.932 10.086 1.00 62.24 C ATOM 549 C ASN A 34 -9.053 2.239 8.735 1.00 72.55 C ATOM 550 O ASN A 34 -8.983 2.870 7.677 1.00 12.02 O ATOM 551 CB ASN A 34 -10.098 3.563 10.600 1.00 13.44 C ATOM 552 CG ASN A 34 -9.907 4.244 11.943 1.00 42.11 C ATOM 553 OD1 ASN A 34 -9.612 5.432 12.015 1.00 22.44 O ATOM 554 ND2 ASN A 34 -10.063 3.499 13.018 1.00 60.42 N ATOM 0 H ASN A 34 -8.095 4.896 9.822 1.00 51.05 H new ATOM 0 HA ASN A 34 -8.461 2.173 10.791 1.00 62.24 H new ATOM 0 HB2 ASN A 34 -10.460 4.290 9.873 1.00 13.44 H new ATOM 0 HB3 ASN A 34 -10.865 2.793 10.690 1.00 13.44 H new ATOM 0 HD21 ASN A 34 -9.938 3.908 13.944 1.00 60.42 H new ATOM 0 HD22 ASN A 34 -10.309 2.513 12.924 1.00 60.42 H new ATOM 561 N GLN A 35 -9.363 0.941 8.790 1.00 23.42 N ATOM 562 CA GLN A 35 -9.610 0.129 7.586 1.00 44.32 C ATOM 563 C GLN A 35 -10.641 0.776 6.646 1.00 2.32 C ATOM 564 O GLN A 35 -10.413 0.881 5.440 1.00 51.20 O ATOM 565 CB GLN A 35 -10.098 -1.273 7.982 1.00 52.52 C ATOM 566 CG GLN A 35 -9.062 -2.103 8.732 1.00 62.03 C ATOM 567 CD GLN A 35 -9.599 -3.453 9.178 1.00 11.31 C ATOM 568 OE1 GLN A 35 -10.128 -3.595 10.277 1.00 34.13 O ATOM 569 NE2 GLN A 35 -9.474 -4.454 8.331 1.00 71.05 N ATOM 0 H GLN A 35 -9.451 0.422 9.663 1.00 23.42 H new ATOM 0 HA GLN A 35 -8.663 0.060 7.051 1.00 44.32 H new ATOM 0 HB2 GLN A 35 -10.988 -1.174 8.603 1.00 52.52 H new ATOM 0 HB3 GLN A 35 -10.396 -1.810 7.082 1.00 52.52 H new ATOM 0 HG2 GLN A 35 -8.193 -2.256 8.092 1.00 62.03 H new ATOM 0 HG3 GLN A 35 -8.720 -1.547 9.605 1.00 62.03 H new ATOM 0 HE21 GLN A 35 -9.030 -4.303 7.425 1.00 71.05 H new ATOM 0 HE22 GLN A 35 -9.822 -5.380 8.581 1.00 71.05 H new ATOM 578 N SER A 36 -11.773 1.198 7.207 1.00 32.13 N ATOM 579 CA SER A 36 -12.862 1.787 6.412 1.00 31.41 C ATOM 580 C SER A 36 -12.391 3.013 5.618 1.00 34.53 C ATOM 581 O SER A 36 -12.402 3.001 4.389 1.00 2.20 O ATOM 582 CB SER A 36 -14.039 2.180 7.316 1.00 54.01 C ATOM 583 OG SER A 36 -15.129 2.683 6.558 1.00 4.32 O ATOM 0 H SER A 36 -11.965 1.145 8.207 1.00 32.13 H new ATOM 0 HA SER A 36 -13.188 1.027 5.702 1.00 31.41 H new ATOM 0 HB2 SER A 36 -14.363 1.313 7.891 1.00 54.01 H new ATOM 0 HB3 SER A 36 -13.713 2.934 8.033 1.00 54.01 H new ATOM 0 HG SER A 36 -15.864 2.923 7.161 1.00 4.32 H new ATOM 589 N SER A 37 -11.960 4.057 6.326 1.00 23.55 N ATOM 590 CA SER A 37 -11.525 5.311 5.687 1.00 23.52 C ATOM 591 C SER A 37 -10.488 5.068 4.576 1.00 24.25 C ATOM 592 O SER A 37 -10.584 5.644 3.491 1.00 20.11 O ATOM 593 CB SER A 37 -10.942 6.269 6.735 1.00 33.24 C ATOM 594 OG SER A 37 -11.899 6.573 7.743 1.00 22.44 O ATOM 0 H SER A 37 -11.901 4.065 7.344 1.00 23.55 H new ATOM 0 HA SER A 37 -12.407 5.759 5.228 1.00 23.52 H new ATOM 0 HB2 SER A 37 -10.060 5.820 7.191 1.00 33.24 H new ATOM 0 HB3 SER A 37 -10.617 7.189 6.249 1.00 33.24 H new ATOM 0 HG SER A 37 -11.501 7.183 8.398 1.00 22.44 H new ATOM 600 N LEU A 38 -9.509 4.204 4.846 1.00 21.22 N ATOM 601 CA LEU A 38 -8.470 3.876 3.859 1.00 51.40 C ATOM 602 C LEU A 38 -9.097 3.276 2.585 1.00 22.02 C ATOM 603 O LEU A 38 -8.752 3.663 1.466 1.00 62.22 O ATOM 604 CB LEU A 38 -7.444 2.905 4.484 1.00 11.03 C ATOM 605 CG LEU A 38 -6.119 2.696 3.710 1.00 62.14 C ATOM 606 CD1 LEU A 38 -6.301 1.777 2.501 1.00 73.02 C ATOM 607 CD2 LEU A 38 -5.528 4.038 3.277 1.00 22.31 C ATOM 0 H LEU A 38 -9.410 3.717 5.737 1.00 21.22 H new ATOM 0 HA LEU A 38 -7.953 4.791 3.572 1.00 51.40 H new ATOM 0 HB2 LEU A 38 -7.200 3.265 5.483 1.00 11.03 H new ATOM 0 HB3 LEU A 38 -7.924 1.934 4.604 1.00 11.03 H new ATOM 0 HG LEU A 38 -5.422 2.208 4.391 1.00 62.14 H new ATOM 0 HD11 LEU A 38 -5.347 1.658 1.987 1.00 73.02 H new ATOM 0 HD12 LEU A 38 -6.657 0.803 2.835 1.00 73.02 H new ATOM 0 HD13 LEU A 38 -7.029 2.215 1.818 1.00 73.02 H new ATOM 0 HD21 LEU A 38 -4.598 3.868 2.735 1.00 22.31 H new ATOM 0 HD22 LEU A 38 -6.236 4.555 2.629 1.00 22.31 H new ATOM 0 HD23 LEU A 38 -5.328 4.649 4.157 1.00 22.31 H new ATOM 619 N ALA A 39 -10.043 2.355 2.771 1.00 23.55 N ATOM 620 CA ALA A 39 -10.717 1.685 1.651 1.00 42.34 C ATOM 621 C ALA A 39 -11.491 2.671 0.755 1.00 1.35 C ATOM 622 O ALA A 39 -11.781 2.372 -0.399 1.00 32.13 O ATOM 623 CB ALA A 39 -11.654 0.603 2.177 1.00 35.32 C ATOM 0 H ALA A 39 -10.363 2.053 3.691 1.00 23.55 H new ATOM 0 HA ALA A 39 -9.943 1.230 1.032 1.00 42.34 H new ATOM 0 HB1 ALA A 39 -12.149 0.112 1.339 1.00 35.32 H new ATOM 0 HB2 ALA A 39 -11.080 -0.132 2.741 1.00 35.32 H new ATOM 0 HB3 ALA A 39 -12.403 1.055 2.827 1.00 35.32 H new ATOM 629 N LYS A 40 -11.842 3.839 1.294 1.00 44.40 N ATOM 630 CA LYS A 40 -12.539 4.875 0.513 1.00 73.53 C ATOM 631 C LYS A 40 -11.544 5.814 -0.193 1.00 31.24 C ATOM 632 O LYS A 40 -11.859 6.411 -1.228 1.00 32.41 O ATOM 633 CB LYS A 40 -13.493 5.684 1.411 1.00 2.12 C ATOM 634 CG LYS A 40 -14.803 4.967 1.752 1.00 1.33 C ATOM 635 CD LYS A 40 -14.576 3.653 2.499 1.00 52.43 C ATOM 636 CE LYS A 40 -15.885 2.958 2.860 1.00 21.43 C ATOM 637 NZ LYS A 40 -16.714 3.766 3.793 1.00 24.45 N ATOM 0 H LYS A 40 -11.658 4.096 2.264 1.00 44.40 H new ATOM 0 HA LYS A 40 -13.125 4.369 -0.254 1.00 73.53 H new ATOM 0 HB2 LYS A 40 -12.977 5.932 2.338 1.00 2.12 H new ATOM 0 HB3 LYS A 40 -13.727 6.626 0.915 1.00 2.12 H new ATOM 0 HG2 LYS A 40 -15.425 5.624 2.360 1.00 1.33 H new ATOM 0 HG3 LYS A 40 -15.354 4.768 0.833 1.00 1.33 H new ATOM 0 HD2 LYS A 40 -13.972 2.987 1.883 1.00 52.43 H new ATOM 0 HD3 LYS A 40 -14.008 3.848 3.409 1.00 52.43 H new ATOM 0 HE2 LYS A 40 -16.452 2.762 1.950 1.00 21.43 H new ATOM 0 HE3 LYS A 40 -15.667 1.992 3.315 1.00 21.43 H new ATOM 0 HZ1 LYS A 40 -17.506 3.189 4.142 1.00 24.45 H new ATOM 0 HZ2 LYS A 40 -16.131 4.076 4.596 1.00 24.45 H new ATOM 0 HZ3 LYS A 40 -17.086 4.599 3.294 1.00 24.45 H new ATOM 651 N GLU A 41 -10.345 5.944 0.367 1.00 62.02 N ATOM 652 CA GLU A 41 -9.284 6.748 -0.251 1.00 24.30 C ATOM 653 C GLU A 41 -8.636 5.991 -1.420 1.00 62.13 C ATOM 654 O GLU A 41 -8.309 6.577 -2.458 1.00 72.45 O ATOM 655 CB GLU A 41 -8.214 7.114 0.790 1.00 11.11 C ATOM 656 CG GLU A 41 -8.747 7.904 1.982 1.00 51.35 C ATOM 657 CD GLU A 41 -9.390 9.227 1.584 1.00 14.50 C ATOM 658 OE1 GLU A 41 -8.650 10.200 1.322 1.00 54.14 O ATOM 659 OE2 GLU A 41 -10.637 9.305 1.538 1.00 35.44 O ATOM 0 H GLU A 41 -10.079 5.504 1.248 1.00 62.02 H new ATOM 0 HA GLU A 41 -9.734 7.663 -0.636 1.00 24.30 H new ATOM 0 HB2 GLU A 41 -7.749 6.198 1.154 1.00 11.11 H new ATOM 0 HB3 GLU A 41 -7.432 7.697 0.302 1.00 11.11 H new ATOM 0 HG2 GLU A 41 -9.479 7.297 2.514 1.00 51.35 H new ATOM 0 HG3 GLU A 41 -7.929 8.099 2.676 1.00 51.35 H new ATOM 666 N CYS A 42 -8.445 4.687 -1.237 1.00 70.21 N ATOM 667 CA CYS A 42 -7.865 3.822 -2.270 1.00 71.20 C ATOM 668 C CYS A 42 -8.963 3.102 -3.071 1.00 20.32 C ATOM 669 O CYS A 42 -9.952 2.649 -2.502 1.00 54.34 O ATOM 670 CB CYS A 42 -6.942 2.774 -1.633 1.00 23.41 C ATOM 671 SG CYS A 42 -7.811 1.517 -0.660 1.00 22.31 S ATOM 0 H CYS A 42 -8.685 4.199 -0.374 1.00 70.21 H new ATOM 0 HA CYS A 42 -7.291 4.456 -2.946 1.00 71.20 H new ATOM 0 HB2 CYS A 42 -6.373 2.280 -2.421 1.00 23.41 H new ATOM 0 HB3 CYS A 42 -6.222 3.282 -0.991 1.00 23.41 H new ATOM 0 HG CYS A 42 -9.058 1.472 -1.024 1.00 22.31 H new ATOM 677 N PRO A 43 -8.802 2.978 -4.407 1.00 35.13 N ATOM 678 CA PRO A 43 -9.786 2.283 -5.266 1.00 41.22 C ATOM 679 C PRO A 43 -9.970 0.792 -4.904 1.00 41.55 C ATOM 680 O PRO A 43 -10.836 0.109 -5.463 1.00 13.44 O ATOM 681 CB PRO A 43 -9.194 2.429 -6.680 1.00 2.33 C ATOM 682 CG PRO A 43 -7.745 2.711 -6.463 1.00 4.11 C ATOM 683 CD PRO A 43 -7.669 3.505 -5.188 1.00 1.20 C ATOM 0 HA PRO A 43 -10.782 2.712 -5.155 1.00 41.22 H new ATOM 0 HB2 PRO A 43 -9.336 1.519 -7.264 1.00 2.33 H new ATOM 0 HB3 PRO A 43 -9.676 3.238 -7.228 1.00 2.33 H new ATOM 0 HG2 PRO A 43 -7.174 1.786 -6.382 1.00 4.11 H new ATOM 0 HG3 PRO A 43 -7.326 3.272 -7.299 1.00 4.11 H new ATOM 0 HD2 PRO A 43 -6.719 3.355 -4.674 1.00 1.20 H new ATOM 0 HD3 PRO A 43 -7.767 4.575 -5.371 1.00 1.20 H new ATOM 691 N LEU A 44 -9.153 0.292 -3.974 1.00 61.43 N ATOM 692 CA LEU A 44 -9.245 -1.098 -3.510 1.00 32.42 C ATOM 693 C LEU A 44 -10.398 -1.279 -2.511 1.00 32.30 C ATOM 694 O LEU A 44 -10.788 -0.340 -1.819 1.00 34.22 O ATOM 695 CB LEU A 44 -7.924 -1.522 -2.851 1.00 12.33 C ATOM 696 CG LEU A 44 -6.668 -1.365 -3.726 1.00 45.14 C ATOM 697 CD1 LEU A 44 -5.427 -1.837 -2.971 1.00 54.23 C ATOM 698 CD2 LEU A 44 -6.828 -2.129 -5.039 1.00 21.32 C ATOM 0 H LEU A 44 -8.414 0.832 -3.523 1.00 61.43 H new ATOM 0 HA LEU A 44 -9.441 -1.727 -4.378 1.00 32.42 H new ATOM 0 HB2 LEU A 44 -7.788 -0.937 -1.941 1.00 12.33 H new ATOM 0 HB3 LEU A 44 -8.007 -2.566 -2.549 1.00 12.33 H new ATOM 0 HG LEU A 44 -6.542 -0.308 -3.962 1.00 45.14 H new ATOM 0 HD11 LEU A 44 -4.548 -1.719 -3.605 1.00 54.23 H new ATOM 0 HD12 LEU A 44 -5.304 -1.243 -2.066 1.00 54.23 H new ATOM 0 HD13 LEU A 44 -5.542 -2.887 -2.703 1.00 54.23 H new ATOM 0 HD21 LEU A 44 -5.930 -2.006 -5.644 1.00 21.32 H new ATOM 0 HD22 LEU A 44 -6.981 -3.187 -4.828 1.00 21.32 H new ATOM 0 HD23 LEU A 44 -7.688 -1.740 -5.584 1.00 21.32 H new ATOM 710 N SER A 45 -10.944 -2.490 -2.438 1.00 41.54 N ATOM 711 CA SER A 45 -12.055 -2.782 -1.520 1.00 24.31 C ATOM 712 C SER A 45 -11.545 -3.276 -0.157 1.00 33.13 C ATOM 713 O SER A 45 -10.558 -4.013 -0.081 1.00 51.23 O ATOM 714 CB SER A 45 -12.999 -3.821 -2.140 1.00 41.11 C ATOM 715 OG SER A 45 -13.515 -3.364 -3.386 1.00 12.21 O ATOM 0 H SER A 45 -10.641 -3.286 -2.999 1.00 41.54 H new ATOM 0 HA SER A 45 -12.603 -1.854 -1.356 1.00 24.31 H new ATOM 0 HB2 SER A 45 -12.466 -4.760 -2.286 1.00 41.11 H new ATOM 0 HB3 SER A 45 -13.822 -4.025 -1.455 1.00 41.11 H new ATOM 0 HG SER A 45 -14.112 -4.044 -3.762 1.00 12.21 H new ATOM 721 N GLN A 46 -12.234 -2.885 0.918 1.00 0.52 N ATOM 722 CA GLN A 46 -11.803 -3.203 2.288 1.00 14.45 C ATOM 723 C GLN A 46 -11.590 -4.714 2.489 1.00 34.23 C ATOM 724 O GLN A 46 -10.676 -5.127 3.197 1.00 22.52 O ATOM 725 CB GLN A 46 -12.831 -2.671 3.305 1.00 44.45 C ATOM 726 CG GLN A 46 -12.357 -2.714 4.765 1.00 22.01 C ATOM 727 CD GLN A 46 -13.066 -3.754 5.627 1.00 72.24 C ATOM 728 OE1 GLN A 46 -13.489 -4.857 5.039 1.00 13.04 O flip ATOM 729 NE2 GLN A 46 -13.229 -3.565 6.829 1.00 15.43 N flip ATOM 0 H GLN A 46 -13.098 -2.345 0.869 1.00 0.52 H new ATOM 0 HA GLN A 46 -10.844 -2.712 2.452 1.00 14.45 H new ATOM 0 HB2 GLN A 46 -13.081 -1.642 3.047 1.00 44.45 H new ATOM 0 HB3 GLN A 46 -13.748 -3.254 3.216 1.00 44.45 H new ATOM 0 HG2 GLN A 46 -11.286 -2.916 4.781 1.00 22.01 H new ATOM 0 HG3 GLN A 46 -12.503 -1.730 5.211 1.00 22.01 H new ATOM 0 HE21 GLN A 46 -12.893 -2.704 7.260 1.00 15.43 H new ATOM 0 HE22 GLN A 46 -13.701 -4.269 7.397 1.00 15.43 H new ATOM 738 N SER A 47 -12.439 -5.531 1.865 1.00 10.13 N ATOM 739 CA SER A 47 -12.307 -6.997 1.940 1.00 43.41 C ATOM 740 C SER A 47 -10.977 -7.470 1.341 1.00 0.23 C ATOM 741 O SER A 47 -10.315 -8.351 1.890 1.00 23.01 O ATOM 742 CB SER A 47 -13.471 -7.688 1.216 1.00 31.32 C ATOM 743 OG SER A 47 -13.308 -9.098 1.210 1.00 41.34 O ATOM 0 H SER A 47 -13.226 -5.209 1.302 1.00 10.13 H new ATOM 0 HA SER A 47 -12.330 -7.270 2.995 1.00 43.41 H new ATOM 0 HB2 SER A 47 -14.411 -7.430 1.704 1.00 31.32 H new ATOM 0 HB3 SER A 47 -13.534 -7.322 0.191 1.00 31.32 H new ATOM 0 HG SER A 47 -14.064 -9.513 0.744 1.00 41.34 H new ATOM 749 N MET A 48 -10.583 -6.867 0.219 1.00 34.21 N ATOM 750 CA MET A 48 -9.304 -7.186 -0.432 1.00 31.24 C ATOM 751 C MET A 48 -8.131 -6.893 0.518 1.00 23.45 C ATOM 752 O MET A 48 -7.269 -7.741 0.744 1.00 51.15 O ATOM 753 CB MET A 48 -9.150 -6.369 -1.722 1.00 25.51 C ATOM 754 CG MET A 48 -10.264 -6.599 -2.737 1.00 23.34 C ATOM 755 SD MET A 48 -10.177 -5.449 -4.123 1.00 34.43 S ATOM 756 CE MET A 48 -11.562 -6.004 -5.119 1.00 25.13 C ATOM 0 H MET A 48 -11.130 -6.153 -0.262 1.00 34.21 H new ATOM 0 HA MET A 48 -9.296 -8.247 -0.681 1.00 31.24 H new ATOM 0 HB2 MET A 48 -9.117 -5.310 -1.467 1.00 25.51 H new ATOM 0 HB3 MET A 48 -8.194 -6.616 -2.184 1.00 25.51 H new ATOM 0 HG2 MET A 48 -10.205 -7.621 -3.112 1.00 23.34 H new ATOM 0 HG3 MET A 48 -11.230 -6.496 -2.242 1.00 23.34 H new ATOM 0 HE1 MET A 48 -11.637 -5.387 -6.014 1.00 25.13 H new ATOM 0 HE2 MET A 48 -11.409 -7.044 -5.407 1.00 25.13 H new ATOM 0 HE3 MET A 48 -12.483 -5.919 -4.542 1.00 25.13 H new ATOM 766 N ILE A 49 -8.128 -5.685 1.077 1.00 34.34 N ATOM 767 CA ILE A 49 -7.114 -5.272 2.056 1.00 61.52 C ATOM 768 C ILE A 49 -7.141 -6.179 3.299 1.00 22.45 C ATOM 769 O ILE A 49 -6.098 -6.586 3.816 1.00 31.51 O ATOM 770 CB ILE A 49 -7.346 -3.799 2.482 1.00 4.24 C ATOM 771 CG1 ILE A 49 -7.328 -2.878 1.246 1.00 72.24 C ATOM 772 CG2 ILE A 49 -6.301 -3.355 3.506 1.00 4.12 C ATOM 773 CD1 ILE A 49 -7.658 -1.431 1.550 1.00 4.32 C ATOM 0 H ILE A 49 -8.821 -4.966 0.869 1.00 34.34 H new ATOM 0 HA ILE A 49 -6.137 -5.362 1.582 1.00 61.52 H new ATOM 0 HB ILE A 49 -8.326 -3.727 2.954 1.00 4.24 H new ATOM 0 HG12 ILE A 49 -6.342 -2.926 0.785 1.00 72.24 H new ATOM 0 HG13 ILE A 49 -8.041 -3.256 0.514 1.00 72.24 H new ATOM 0 HG21 ILE A 49 -6.486 -2.319 3.788 1.00 4.12 H new ATOM 0 HG22 ILE A 49 -6.366 -3.989 4.390 1.00 4.12 H new ATOM 0 HG23 ILE A 49 -5.305 -3.440 3.070 1.00 4.12 H new ATOM 0 HD11 ILE A 49 -7.624 -0.849 0.629 1.00 4.32 H new ATOM 0 HD12 ILE A 49 -8.657 -1.369 1.982 1.00 4.32 H new ATOM 0 HD13 ILE A 49 -6.931 -1.033 2.258 1.00 4.32 H new ATOM 785 N SER A 50 -8.349 -6.501 3.759 1.00 1.41 N ATOM 786 CA SER A 50 -8.543 -7.391 4.912 1.00 41.34 C ATOM 787 C SER A 50 -7.942 -8.777 4.645 1.00 62.22 C ATOM 788 O SER A 50 -7.300 -9.361 5.512 1.00 60.21 O ATOM 789 CB SER A 50 -10.040 -7.523 5.238 1.00 54.51 C ATOM 790 OG SER A 50 -10.261 -8.337 6.382 1.00 2.01 O ATOM 0 H SER A 50 -9.218 -6.157 3.349 1.00 1.41 H new ATOM 0 HA SER A 50 -8.028 -6.952 5.767 1.00 41.34 H new ATOM 0 HB2 SER A 50 -10.464 -6.533 5.409 1.00 54.51 H new ATOM 0 HB3 SER A 50 -10.562 -7.950 4.382 1.00 54.51 H new ATOM 0 HG SER A 50 -11.223 -8.397 6.560 1.00 2.01 H new ATOM 796 N SER A 51 -8.147 -9.287 3.429 1.00 31.02 N ATOM 797 CA SER A 51 -7.589 -10.588 3.017 1.00 11.20 C ATOM 798 C SER A 51 -6.052 -10.566 3.012 1.00 43.42 C ATOM 799 O SER A 51 -5.402 -11.558 3.345 1.00 54.14 O ATOM 800 CB SER A 51 -8.110 -10.975 1.623 1.00 51.51 C ATOM 801 OG SER A 51 -7.614 -12.244 1.214 1.00 24.14 O ATOM 0 H SER A 51 -8.696 -8.822 2.706 1.00 31.02 H new ATOM 0 HA SER A 51 -7.915 -11.332 3.744 1.00 11.20 H new ATOM 0 HB2 SER A 51 -9.200 -10.996 1.634 1.00 51.51 H new ATOM 0 HB3 SER A 51 -7.813 -10.216 0.899 1.00 51.51 H new ATOM 0 HG SER A 51 -7.965 -12.461 0.325 1.00 24.14 H new ATOM 807 N ILE A 52 -5.475 -9.425 2.636 1.00 64.14 N ATOM 808 CA ILE A 52 -4.016 -9.248 2.654 1.00 14.45 C ATOM 809 C ILE A 52 -3.471 -9.300 4.091 1.00 64.40 C ATOM 810 O ILE A 52 -2.443 -9.924 4.362 1.00 51.53 O ATOM 811 CB ILE A 52 -3.607 -7.904 1.996 1.00 75.01 C ATOM 812 CG1 ILE A 52 -4.102 -7.846 0.539 1.00 14.24 C ATOM 813 CG2 ILE A 52 -2.092 -7.709 2.055 1.00 45.03 C ATOM 814 CD1 ILE A 52 -3.825 -6.524 -0.151 1.00 71.31 C ATOM 0 H ILE A 52 -5.992 -8.607 2.315 1.00 64.14 H new ATOM 0 HA ILE A 52 -3.585 -10.068 2.080 1.00 14.45 H new ATOM 0 HB ILE A 52 -4.076 -7.094 2.555 1.00 75.01 H new ATOM 0 HG12 ILE A 52 -3.628 -8.647 -0.028 1.00 14.24 H new ATOM 0 HG13 ILE A 52 -5.175 -8.036 0.522 1.00 14.24 H new ATOM 0 HG21 ILE A 52 -1.829 -6.760 1.588 1.00 45.03 H new ATOM 0 HG22 ILE A 52 -1.766 -7.704 3.095 1.00 45.03 H new ATOM 0 HG23 ILE A 52 -1.599 -8.524 1.524 1.00 45.03 H new ATOM 0 HD11 ILE A 52 -4.203 -6.561 -1.173 1.00 71.31 H new ATOM 0 HD12 ILE A 52 -4.322 -5.720 0.391 1.00 71.31 H new ATOM 0 HD13 ILE A 52 -2.751 -6.340 -0.168 1.00 71.31 H new ATOM 826 N VAL A 53 -4.170 -8.637 5.011 1.00 63.35 N ATOM 827 CA VAL A 53 -3.800 -8.651 6.432 1.00 63.11 C ATOM 828 C VAL A 53 -4.083 -10.025 7.066 1.00 42.15 C ATOM 829 O VAL A 53 -3.334 -10.495 7.925 1.00 54.44 O ATOM 830 CB VAL A 53 -4.560 -7.549 7.219 1.00 31.22 C ATOM 831 CG1 VAL A 53 -4.135 -7.521 8.689 1.00 40.21 C ATOM 832 CG2 VAL A 53 -4.347 -6.183 6.567 1.00 21.02 C ATOM 0 H VAL A 53 -4.999 -8.081 4.800 1.00 63.35 H new ATOM 0 HA VAL A 53 -2.730 -8.451 6.489 1.00 63.11 H new ATOM 0 HB VAL A 53 -5.623 -7.786 7.187 1.00 31.22 H new ATOM 0 HG11 VAL A 53 -4.685 -6.739 9.212 1.00 40.21 H new ATOM 0 HG12 VAL A 53 -4.351 -8.486 9.149 1.00 40.21 H new ATOM 0 HG13 VAL A 53 -3.066 -7.319 8.755 1.00 40.21 H new ATOM 0 HG21 VAL A 53 -4.887 -5.422 7.131 1.00 21.02 H new ATOM 0 HG22 VAL A 53 -3.283 -5.944 6.561 1.00 21.02 H new ATOM 0 HG23 VAL A 53 -4.719 -6.207 5.543 1.00 21.02 H new ATOM 842 N ASN A 54 -5.157 -10.667 6.613 1.00 12.12 N ATOM 843 CA ASN A 54 -5.557 -11.993 7.104 1.00 3.15 C ATOM 844 C ASN A 54 -4.887 -13.110 6.277 1.00 13.31 C ATOM 845 O ASN A 54 -5.397 -14.226 6.174 1.00 60.20 O ATOM 846 CB ASN A 54 -7.090 -12.108 7.048 1.00 73.45 C ATOM 847 CG ASN A 54 -7.634 -13.346 7.744 1.00 10.15 C ATOM 848 OD1 ASN A 54 -7.837 -14.411 6.996 1.00 75.32 O flip ATOM 849 ND2 ASN A 54 -7.877 -13.343 8.945 1.00 73.02 N flip ATOM 0 H ASN A 54 -5.777 -10.288 5.897 1.00 12.12 H new ATOM 0 HA ASN A 54 -5.227 -12.111 8.136 1.00 3.15 H new ATOM 0 HB2 ASN A 54 -7.529 -11.222 7.506 1.00 73.45 H new ATOM 0 HB3 ASN A 54 -7.407 -12.119 6.005 1.00 73.45 H new ATOM 0 HD21 ASN A 54 -7.709 -12.502 9.497 1.00 73.02 H new ATOM 0 HD22 ASN A 54 -8.247 -14.181 9.392 1.00 73.02 H new ATOM 856 N SER A 55 -3.730 -12.803 5.696 1.00 44.42 N ATOM 857 CA SER A 55 -2.978 -13.782 4.902 1.00 53.42 C ATOM 858 C SER A 55 -2.383 -14.891 5.787 1.00 52.05 C ATOM 859 O SER A 55 -1.189 -14.901 6.092 1.00 1.42 O ATOM 860 CB SER A 55 -1.872 -13.086 4.086 1.00 43.51 C ATOM 861 OG SER A 55 -1.050 -12.268 4.905 1.00 60.15 O ATOM 0 H SER A 55 -3.289 -11.885 5.758 1.00 44.42 H new ATOM 0 HA SER A 55 -3.677 -14.252 4.210 1.00 53.42 H new ATOM 0 HB2 SER A 55 -1.258 -13.838 3.590 1.00 43.51 H new ATOM 0 HB3 SER A 55 -2.325 -12.478 3.303 1.00 43.51 H new ATOM 0 HG SER A 55 -1.378 -11.345 4.880 1.00 60.15 H new ATOM 867 N THR A 56 -3.240 -15.816 6.212 1.00 40.22 N ATOM 868 CA THR A 56 -2.826 -16.957 7.042 1.00 13.11 C ATOM 869 C THR A 56 -2.466 -18.170 6.175 1.00 12.01 C ATOM 870 O THR A 56 -1.332 -18.649 6.191 1.00 12.24 O ATOM 871 CB THR A 56 -3.944 -17.358 8.034 1.00 64.14 C ATOM 872 OG1 THR A 56 -5.149 -17.667 7.318 1.00 5.32 O ATOM 873 CG2 THR A 56 -4.219 -16.236 9.030 1.00 34.20 C ATOM 0 H THR A 56 -4.237 -15.801 5.995 1.00 40.22 H new ATOM 0 HA THR A 56 -1.945 -16.643 7.602 1.00 13.11 H new ATOM 0 HB THR A 56 -3.608 -18.238 8.583 1.00 64.14 H new ATOM 0 HG1 THR A 56 -5.851 -17.921 7.953 1.00 5.32 H new ATOM 0 HG21 THR A 56 -5.009 -16.544 9.716 1.00 34.20 H new ATOM 0 HG22 THR A 56 -3.312 -16.020 9.595 1.00 34.20 H new ATOM 0 HG23 THR A 56 -4.533 -15.341 8.493 1.00 34.20 H new ATOM 881 N TYR A 57 -3.450 -18.676 5.434 1.00 2.43 N ATOM 882 CA TYR A 57 -3.227 -19.750 4.455 1.00 33.22 C ATOM 883 C TYR A 57 -3.347 -19.189 3.026 1.00 73.53 C ATOM 884 O TYR A 57 -3.900 -19.825 2.128 1.00 51.33 O ATOM 885 CB TYR A 57 -4.233 -20.898 4.682 1.00 32.51 C ATOM 886 CG TYR A 57 -5.691 -20.528 4.441 1.00 20.14 C ATOM 887 CD1 TYR A 57 -6.373 -19.683 5.311 1.00 31.43 C ATOM 888 CD2 TYR A 57 -6.385 -21.029 3.341 1.00 14.10 C ATOM 889 CE1 TYR A 57 -7.696 -19.350 5.093 1.00 24.42 C ATOM 890 CE2 TYR A 57 -7.706 -20.699 3.119 1.00 14.31 C ATOM 891 CZ TYR A 57 -8.357 -19.860 3.997 1.00 73.20 C ATOM 892 OH TYR A 57 -9.675 -19.527 3.776 1.00 72.55 O ATOM 0 H TYR A 57 -4.418 -18.360 5.491 1.00 2.43 H new ATOM 0 HA TYR A 57 -2.222 -20.150 4.586 1.00 33.22 H new ATOM 0 HB2 TYR A 57 -3.970 -21.727 4.025 1.00 32.51 H new ATOM 0 HB3 TYR A 57 -4.128 -21.257 5.706 1.00 32.51 H new ATOM 0 HD1 TYR A 57 -5.859 -19.281 6.172 1.00 31.43 H new ATOM 0 HD2 TYR A 57 -5.880 -21.687 2.650 1.00 14.10 H new ATOM 0 HE1 TYR A 57 -8.210 -18.693 5.779 1.00 24.42 H new ATOM 0 HE2 TYR A 57 -8.228 -21.096 2.261 1.00 14.31 H new ATOM 0 HH TYR A 57 -9.992 -19.969 2.961 1.00 72.55 H new ATOM 902 N TYR A 58 -2.789 -17.998 2.825 1.00 74.44 N ATOM 903 CA TYR A 58 -2.954 -17.253 1.569 1.00 52.32 C ATOM 904 C TYR A 58 -2.323 -17.967 0.361 1.00 21.43 C ATOM 905 O TYR A 58 -1.411 -18.791 0.499 1.00 62.14 O ATOM 906 CB TYR A 58 -2.345 -15.849 1.709 1.00 60.05 C ATOM 907 CG TYR A 58 -0.822 -15.827 1.736 1.00 64.43 C ATOM 908 CD1 TYR A 58 -0.110 -16.312 2.828 1.00 42.23 C ATOM 909 CD2 TYR A 58 -0.098 -15.321 0.658 1.00 15.44 C ATOM 910 CE1 TYR A 58 1.272 -16.292 2.847 1.00 1.23 C ATOM 911 CE2 TYR A 58 1.283 -15.299 0.669 1.00 3.41 C ATOM 912 CZ TYR A 58 1.964 -15.784 1.766 1.00 24.12 C ATOM 913 OH TYR A 58 3.344 -15.768 1.778 1.00 44.21 O ATOM 0 H TYR A 58 -2.213 -17.521 3.519 1.00 74.44 H new ATOM 0 HA TYR A 58 -4.026 -17.186 1.382 1.00 52.32 H new ATOM 0 HB2 TYR A 58 -2.691 -15.231 0.880 1.00 60.05 H new ATOM 0 HB3 TYR A 58 -2.720 -15.393 2.625 1.00 60.05 H new ATOM 0 HD1 TYR A 58 -0.646 -16.711 3.676 1.00 42.23 H new ATOM 0 HD2 TYR A 58 -0.627 -14.939 -0.203 1.00 15.44 H new ATOM 0 HE1 TYR A 58 1.808 -16.672 3.704 1.00 1.23 H new ATOM 0 HE2 TYR A 58 1.827 -14.904 -0.177 1.00 3.41 H new ATOM 0 HH TYR A 58 3.674 -15.379 0.941 1.00 44.21 H new ATOM 923 N ALA A 59 -2.825 -17.640 -0.822 1.00 60.35 N ATOM 924 CA ALA A 59 -2.248 -18.110 -2.084 1.00 52.55 C ATOM 925 C ALA A 59 -1.693 -16.922 -2.889 1.00 23.31 C ATOM 926 O ALA A 59 -1.446 -15.848 -2.336 1.00 20.45 O ATOM 927 CB ALA A 59 -3.304 -18.864 -2.886 1.00 70.11 C ATOM 0 H ALA A 59 -3.643 -17.042 -0.939 1.00 60.35 H new ATOM 0 HA ALA A 59 -1.424 -18.790 -1.871 1.00 52.55 H new ATOM 0 HB1 ALA A 59 -2.870 -19.211 -3.823 1.00 70.11 H new ATOM 0 HB2 ALA A 59 -3.656 -19.720 -2.310 1.00 70.11 H new ATOM 0 HB3 ALA A 59 -4.142 -18.200 -3.098 1.00 70.11 H new ATOM 933 N ASN A 60 -1.488 -17.106 -4.190 1.00 12.44 N ATOM 934 CA ASN A 60 -0.993 -16.019 -5.039 1.00 25.31 C ATOM 935 C ASN A 60 -2.133 -15.061 -5.423 1.00 62.51 C ATOM 936 O ASN A 60 -2.794 -15.242 -6.447 1.00 54.25 O ATOM 937 CB ASN A 60 -0.317 -16.578 -6.296 1.00 53.10 C ATOM 938 CG ASN A 60 0.862 -17.476 -5.966 1.00 3.14 C ATOM 939 OD1 ASN A 60 1.537 -17.297 -4.955 1.00 2.35 O ATOM 940 ND2 ASN A 60 1.120 -18.448 -6.812 1.00 51.32 N ATOM 0 H ASN A 60 -1.654 -17.986 -4.678 1.00 12.44 H new ATOM 0 HA ASN A 60 -0.252 -15.458 -4.470 1.00 25.31 H new ATOM 0 HB2 ASN A 60 -1.047 -17.140 -6.879 1.00 53.10 H new ATOM 0 HB3 ASN A 60 0.022 -15.752 -6.921 1.00 53.10 H new ATOM 0 HD21 ASN A 60 1.900 -19.081 -6.638 1.00 51.32 H new ATOM 0 HD22 ASN A 60 0.540 -18.569 -7.642 1.00 51.32 H new ATOM 947 N VAL A 61 -2.382 -14.065 -4.568 1.00 33.15 N ATOM 948 CA VAL A 61 -3.426 -13.058 -4.822 1.00 21.42 C ATOM 949 C VAL A 61 -3.229 -12.368 -6.187 1.00 22.53 C ATOM 950 O VAL A 61 -2.099 -12.167 -6.636 1.00 24.54 O ATOM 951 CB VAL A 61 -3.467 -11.994 -3.690 1.00 21.54 C ATOM 952 CG1 VAL A 61 -2.138 -11.249 -3.583 1.00 3.13 C ATOM 953 CG2 VAL A 61 -4.627 -11.015 -3.892 1.00 41.11 C ATOM 0 H VAL A 61 -1.877 -13.931 -3.692 1.00 33.15 H new ATOM 0 HA VAL A 61 -4.380 -13.586 -4.841 1.00 21.42 H new ATOM 0 HB VAL A 61 -3.632 -12.520 -2.750 1.00 21.54 H new ATOM 0 HG11 VAL A 61 -2.198 -10.512 -2.783 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -1.340 -11.958 -3.364 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -1.927 -10.745 -4.526 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.630 -10.283 -3.085 1.00 41.11 H new ATOM 0 HG22 VAL A 61 -4.508 -10.502 -4.847 1.00 41.11 H new ATOM 0 HG23 VAL A 61 -5.570 -11.562 -3.889 1.00 41.11 H new ATOM 963 N SER A 62 -4.337 -12.003 -6.835 1.00 2.30 N ATOM 964 CA SER A 62 -4.303 -11.441 -8.199 1.00 52.12 C ATOM 965 C SER A 62 -3.503 -10.127 -8.287 1.00 1.30 C ATOM 966 O SER A 62 -3.157 -9.513 -7.272 1.00 5.12 O ATOM 967 CB SER A 62 -5.727 -11.212 -8.725 1.00 51.43 C ATOM 968 OG SER A 62 -5.710 -10.692 -10.045 1.00 34.12 O ATOM 0 H SER A 62 -5.274 -12.084 -6.441 1.00 2.30 H new ATOM 0 HA SER A 62 -3.792 -12.177 -8.820 1.00 52.12 H new ATOM 0 HB2 SER A 62 -6.279 -12.152 -8.709 1.00 51.43 H new ATOM 0 HB3 SER A 62 -6.254 -10.522 -8.066 1.00 51.43 H new ATOM 0 HG SER A 62 -6.630 -10.558 -10.355 1.00 34.12 H new ATOM 974 N ALA A 63 -3.229 -9.696 -9.519 1.00 21.03 N ATOM 975 CA ALA A 63 -2.395 -8.514 -9.771 1.00 35.24 C ATOM 976 C ALA A 63 -3.214 -7.216 -9.804 1.00 54.33 C ATOM 977 O ALA A 63 -2.702 -6.150 -9.463 1.00 31.45 O ATOM 978 CB ALA A 63 -1.634 -8.682 -11.083 1.00 23.02 C ATOM 0 H ALA A 63 -3.574 -10.150 -10.365 1.00 21.03 H new ATOM 0 HA ALA A 63 -1.691 -8.433 -8.943 1.00 35.24 H new ATOM 0 HB1 ALA A 63 -1.018 -7.801 -11.262 1.00 23.02 H new ATOM 0 HB2 ALA A 63 -0.997 -9.564 -11.023 1.00 23.02 H new ATOM 0 HB3 ALA A 63 -2.343 -8.801 -11.902 1.00 23.02 H new ATOM 984 N ALA A 64 -4.481 -7.313 -10.216 1.00 0.42 N ATOM 985 CA ALA A 64 -5.364 -6.140 -10.326 1.00 1.44 C ATOM 986 C ALA A 64 -5.306 -5.257 -9.066 1.00 14.33 C ATOM 987 O ALA A 64 -5.163 -4.034 -9.156 1.00 34.30 O ATOM 988 CB ALA A 64 -6.798 -6.585 -10.594 1.00 71.15 C ATOM 0 H ALA A 64 -4.923 -8.193 -10.481 1.00 0.42 H new ATOM 0 HA ALA A 64 -5.010 -5.539 -11.164 1.00 1.44 H new ATOM 0 HB1 ALA A 64 -7.442 -5.709 -10.673 1.00 71.15 H new ATOM 0 HB2 ALA A 64 -6.836 -7.149 -11.526 1.00 71.15 H new ATOM 0 HB3 ALA A 64 -7.143 -7.215 -9.774 1.00 71.15 H new ATOM 994 N LYS A 65 -5.414 -5.891 -7.900 1.00 55.42 N ATOM 995 CA LYS A 65 -5.265 -5.200 -6.613 1.00 22.15 C ATOM 996 C LYS A 65 -3.941 -4.409 -6.542 1.00 74.30 C ATOM 997 O LYS A 65 -3.907 -3.269 -6.078 1.00 31.04 O ATOM 998 CB LYS A 65 -5.360 -6.237 -5.469 1.00 13.40 C ATOM 999 CG LYS A 65 -5.002 -5.718 -4.069 1.00 64.13 C ATOM 1000 CD LYS A 65 -3.508 -5.864 -3.755 1.00 55.23 C ATOM 1001 CE LYS A 65 -3.051 -7.320 -3.815 1.00 11.55 C ATOM 1002 NZ LYS A 65 -1.603 -7.460 -3.504 1.00 73.21 N ATOM 0 H LYS A 65 -5.606 -6.889 -7.816 1.00 55.42 H new ATOM 0 HA LYS A 65 -6.069 -4.472 -6.508 1.00 22.15 H new ATOM 0 HB2 LYS A 65 -6.377 -6.629 -5.442 1.00 13.40 H new ATOM 0 HB3 LYS A 65 -4.702 -7.073 -5.706 1.00 13.40 H new ATOM 0 HG2 LYS A 65 -5.286 -4.669 -3.990 1.00 64.13 H new ATOM 0 HG3 LYS A 65 -5.582 -6.262 -3.324 1.00 64.13 H new ATOM 0 HD2 LYS A 65 -2.929 -5.273 -4.464 1.00 55.23 H new ATOM 0 HD3 LYS A 65 -3.305 -5.461 -2.763 1.00 55.23 H new ATOM 0 HE2 LYS A 65 -3.633 -7.913 -3.109 1.00 11.55 H new ATOM 0 HE3 LYS A 65 -3.250 -7.722 -4.808 1.00 11.55 H new ATOM 0 HZ1 LYS A 65 -1.382 -8.460 -3.322 1.00 73.21 H new ATOM 0 HZ2 LYS A 65 -1.040 -7.123 -4.311 1.00 73.21 H new ATOM 0 HZ3 LYS A 65 -1.373 -6.895 -2.662 1.00 73.21 H new ATOM 1016 N CYS A 66 -2.855 -5.015 -7.017 1.00 51.12 N ATOM 1017 CA CYS A 66 -1.529 -4.380 -6.971 1.00 2.33 C ATOM 1018 C CYS A 66 -1.397 -3.251 -8.003 1.00 12.11 C ATOM 1019 O CYS A 66 -0.762 -2.231 -7.742 1.00 41.13 O ATOM 1020 CB CYS A 66 -0.429 -5.423 -7.210 1.00 31.32 C ATOM 1021 SG CYS A 66 -0.325 -6.704 -5.937 1.00 31.13 S ATOM 0 H CYS A 66 -2.861 -5.944 -7.439 1.00 51.12 H new ATOM 0 HA CYS A 66 -1.415 -3.945 -5.978 1.00 2.33 H new ATOM 0 HB2 CYS A 66 -0.601 -5.900 -8.175 1.00 31.32 H new ATOM 0 HB3 CYS A 66 0.532 -4.912 -7.273 1.00 31.32 H new ATOM 0 HG CYS A 66 0.917 -6.876 -5.595 1.00 31.13 H new ATOM 1027 N GLN A 67 -2.003 -3.435 -9.172 1.00 62.32 N ATOM 1028 CA GLN A 67 -1.895 -2.459 -10.263 1.00 12.32 C ATOM 1029 C GLN A 67 -2.672 -1.167 -9.953 1.00 52.41 C ATOM 1030 O GLN A 67 -2.198 -0.063 -10.237 1.00 62.42 O ATOM 1031 CB GLN A 67 -2.382 -3.086 -11.577 1.00 25.25 C ATOM 1032 CG GLN A 67 -1.620 -4.352 -11.956 1.00 74.23 C ATOM 1033 CD GLN A 67 -2.051 -4.936 -13.290 1.00 41.34 C ATOM 1034 OE1 GLN A 67 -2.968 -5.747 -13.364 1.00 22.04 O ATOM 1035 NE2 GLN A 67 -1.380 -4.543 -14.353 1.00 61.03 N ATOM 0 H GLN A 67 -2.575 -4.250 -9.393 1.00 62.32 H new ATOM 0 HA GLN A 67 -0.845 -2.185 -10.367 1.00 12.32 H new ATOM 0 HB2 GLN A 67 -3.443 -3.321 -11.489 1.00 25.25 H new ATOM 0 HB3 GLN A 67 -2.282 -2.355 -12.380 1.00 25.25 H new ATOM 0 HG2 GLN A 67 -0.554 -4.129 -11.993 1.00 74.23 H new ATOM 0 HG3 GLN A 67 -1.762 -5.101 -11.177 1.00 74.23 H new ATOM 0 HE21 GLN A 67 -0.623 -3.867 -14.257 1.00 61.03 H new ATOM 0 HE22 GLN A 67 -1.618 -4.915 -15.273 1.00 61.03 H new ATOM 1044 N GLU A 68 -3.868 -1.306 -9.378 1.00 61.11 N ATOM 1045 CA GLU A 68 -4.643 -0.140 -8.926 1.00 23.35 C ATOM 1046 C GLU A 68 -4.014 0.498 -7.676 1.00 3.10 C ATOM 1047 O GLU A 68 -4.090 1.715 -7.485 1.00 74.31 O ATOM 1048 CB GLU A 68 -6.104 -0.529 -8.647 1.00 70.41 C ATOM 1049 CG GLU A 68 -6.943 -0.742 -9.906 1.00 13.51 C ATOM 1050 CD GLU A 68 -7.148 0.544 -10.702 1.00 52.20 C ATOM 1051 OE1 GLU A 68 -8.067 1.323 -10.359 1.00 71.05 O ATOM 1052 OE2 GLU A 68 -6.401 0.780 -11.676 1.00 41.12 O ATOM 0 H GLU A 68 -4.321 -2.205 -9.213 1.00 61.11 H new ATOM 0 HA GLU A 68 -4.626 0.597 -9.729 1.00 23.35 H new ATOM 0 HB2 GLU A 68 -6.119 -1.444 -8.054 1.00 70.41 H new ATOM 0 HB3 GLU A 68 -6.567 0.250 -8.042 1.00 70.41 H new ATOM 0 HG2 GLU A 68 -6.457 -1.483 -10.540 1.00 13.51 H new ATOM 0 HG3 GLU A 68 -7.914 -1.150 -9.626 1.00 13.51 H new ATOM 1059 N PHE A 69 -3.400 -0.330 -6.826 1.00 24.43 N ATOM 1060 CA PHE A 69 -2.674 0.164 -5.646 1.00 4.33 C ATOM 1061 C PHE A 69 -1.473 1.031 -6.058 1.00 4.31 C ATOM 1062 O PHE A 69 -1.311 2.153 -5.575 1.00 60.50 O ATOM 1063 CB PHE A 69 -2.193 -1.008 -4.776 1.00 11.25 C ATOM 1064 CG PHE A 69 -1.434 -0.573 -3.546 1.00 4.42 C ATOM 1065 CD1 PHE A 69 -2.107 -0.056 -2.448 1.00 52.32 C ATOM 1066 CD2 PHE A 69 -0.048 -0.670 -3.491 1.00 14.11 C ATOM 1067 CE1 PHE A 69 -1.416 0.351 -1.322 1.00 30.25 C ATOM 1068 CE2 PHE A 69 0.647 -0.262 -2.367 1.00 35.23 C ATOM 1069 CZ PHE A 69 -0.040 0.250 -1.282 1.00 21.13 C ATOM 0 H PHE A 69 -3.389 -1.345 -6.930 1.00 24.43 H new ATOM 0 HA PHE A 69 -3.364 0.778 -5.067 1.00 4.33 H new ATOM 0 HB2 PHE A 69 -3.055 -1.601 -4.470 1.00 11.25 H new ATOM 0 HB3 PHE A 69 -1.556 -1.658 -5.376 1.00 11.25 H new ATOM 0 HD1 PHE A 69 -3.183 0.029 -2.473 1.00 52.32 H new ATOM 0 HD2 PHE A 69 0.493 -1.069 -4.337 1.00 14.11 H new ATOM 0 HE1 PHE A 69 -1.953 0.748 -0.473 1.00 30.25 H new ATOM 0 HE2 PHE A 69 1.724 -0.343 -2.337 1.00 35.23 H new ATOM 0 HZ PHE A 69 0.500 0.571 -0.403 1.00 21.13 H new ATOM 1079 N GLY A 70 -0.627 0.497 -6.943 1.00 75.11 N ATOM 1080 CA GLY A 70 0.507 1.258 -7.461 1.00 43.20 C ATOM 1081 C GLY A 70 0.077 2.576 -8.097 1.00 31.20 C ATOM 1082 O GLY A 70 0.686 3.623 -7.859 1.00 64.32 O ATOM 0 H GLY A 70 -0.706 -0.451 -7.312 1.00 75.11 H new ATOM 0 HA2 GLY A 70 1.207 1.460 -6.650 1.00 43.20 H new ATOM 0 HA3 GLY A 70 1.038 0.657 -8.199 1.00 43.20 H new ATOM 1086 N ARG A 71 -0.982 2.512 -8.904 1.00 14.41 N ATOM 1087 CA ARG A 71 -1.600 3.708 -9.490 1.00 3.20 C ATOM 1088 C ARG A 71 -1.959 4.730 -8.402 1.00 51.41 C ATOM 1089 O ARG A 71 -1.490 5.871 -8.418 1.00 4.31 O ATOM 1090 CB ARG A 71 -2.873 3.312 -10.252 1.00 41.40 C ATOM 1091 CG ARG A 71 -3.672 4.502 -10.775 1.00 24.32 C ATOM 1092 CD ARG A 71 -5.039 4.091 -11.305 1.00 34.25 C ATOM 1093 NE ARG A 71 -5.828 5.252 -11.710 1.00 1.44 N ATOM 1094 CZ ARG A 71 -7.131 5.322 -11.646 1.00 60.22 C ATOM 1095 NH1 ARG A 71 -7.837 4.314 -11.227 1.00 50.33 N ATOM 1096 NH2 ARG A 71 -7.731 6.408 -12.005 1.00 41.30 N ATOM 0 H ARG A 71 -1.435 1.638 -9.170 1.00 14.41 H new ATOM 0 HA ARG A 71 -0.883 4.163 -10.173 1.00 3.20 H new ATOM 0 HB2 ARG A 71 -2.599 2.673 -11.091 1.00 41.40 H new ATOM 0 HB3 ARG A 71 -3.509 2.719 -9.595 1.00 41.40 H new ATOM 0 HG2 ARG A 71 -3.799 5.231 -9.975 1.00 24.32 H new ATOM 0 HG3 ARG A 71 -3.110 4.994 -11.569 1.00 24.32 H new ATOM 0 HD2 ARG A 71 -4.914 3.420 -12.155 1.00 34.25 H new ATOM 0 HD3 ARG A 71 -5.576 3.535 -10.537 1.00 34.25 H new ATOM 0 HE ARG A 71 -5.326 6.065 -12.068 1.00 1.44 H new ATOM 0 HH11 ARG A 71 -7.374 3.451 -10.942 1.00 50.33 H new ATOM 0 HH12 ARG A 71 -8.854 4.386 -11.184 1.00 50.33 H new ATOM 0 HH21 ARG A 71 -7.188 7.205 -12.336 1.00 41.30 H new ATOM 0 HH22 ARG A 71 -8.748 6.468 -11.957 1.00 41.30 H new ATOM 1110 N TRP A 72 -2.791 4.299 -7.454 1.00 72.31 N ATOM 1111 CA TRP A 72 -3.232 5.153 -6.349 1.00 42.24 C ATOM 1112 C TRP A 72 -2.046 5.780 -5.610 1.00 31.35 C ATOM 1113 O TRP A 72 -1.987 6.991 -5.437 1.00 52.21 O ATOM 1114 CB TRP A 72 -4.085 4.343 -5.365 1.00 13.14 C ATOM 1115 CG TRP A 72 -4.406 5.085 -4.100 1.00 52.01 C ATOM 1116 CD1 TRP A 72 -5.220 6.173 -3.971 1.00 70.23 C ATOM 1117 CD2 TRP A 72 -3.914 4.793 -2.784 1.00 50.21 C ATOM 1118 NE1 TRP A 72 -5.264 6.574 -2.660 1.00 65.44 N ATOM 1119 CE2 TRP A 72 -4.470 5.745 -1.911 1.00 52.43 C ATOM 1120 CE3 TRP A 72 -3.055 3.820 -2.260 1.00 31.44 C ATOM 1121 CZ2 TRP A 72 -4.199 5.754 -0.546 1.00 22.42 C ATOM 1122 CZ3 TRP A 72 -2.787 3.829 -0.904 1.00 12.22 C ATOM 1123 CH2 TRP A 72 -3.357 4.791 -0.060 1.00 75.11 C ATOM 0 H TRP A 72 -3.177 3.355 -7.429 1.00 72.31 H new ATOM 0 HA TRP A 72 -3.829 5.960 -6.774 1.00 42.24 H new ATOM 0 HB2 TRP A 72 -5.016 4.055 -5.854 1.00 13.14 H new ATOM 0 HB3 TRP A 72 -3.559 3.422 -5.113 1.00 13.14 H new ATOM 0 HD1 TRP A 72 -5.751 6.648 -4.782 1.00 70.23 H new ATOM 0 HE1 TRP A 72 -5.801 7.363 -2.300 1.00 65.44 H new ATOM 0 HE3 TRP A 72 -2.610 3.076 -2.904 1.00 31.44 H new ATOM 0 HZ2 TRP A 72 -4.638 6.495 0.106 1.00 22.42 H new ATOM 0 HZ3 TRP A 72 -2.127 3.082 -0.488 1.00 12.22 H new ATOM 0 HH2 TRP A 72 -3.127 4.772 0.995 1.00 75.11 H new ATOM 1134 N TYR A 73 -1.103 4.944 -5.190 1.00 52.21 N ATOM 1135 CA TYR A 73 0.050 5.400 -4.409 1.00 64.40 C ATOM 1136 C TYR A 73 0.879 6.448 -5.178 1.00 10.31 C ATOM 1137 O TYR A 73 1.418 7.386 -4.587 1.00 31.31 O ATOM 1138 CB TYR A 73 0.921 4.198 -4.022 1.00 73.53 C ATOM 1139 CG TYR A 73 1.962 4.509 -2.960 1.00 31.50 C ATOM 1140 CD1 TYR A 73 1.582 4.991 -1.709 1.00 71.53 C ATOM 1141 CD2 TYR A 73 3.317 4.318 -3.202 1.00 41.33 C ATOM 1142 CE1 TYR A 73 2.523 5.276 -0.737 1.00 21.22 C ATOM 1143 CE2 TYR A 73 4.261 4.598 -2.235 1.00 14.34 C ATOM 1144 CZ TYR A 73 3.862 5.076 -1.005 1.00 4.43 C ATOM 1145 OH TYR A 73 4.804 5.359 -0.043 1.00 75.41 O ATOM 0 H TYR A 73 -1.111 3.941 -5.377 1.00 52.21 H new ATOM 0 HA TYR A 73 -0.320 5.882 -3.504 1.00 64.40 H new ATOM 0 HB2 TYR A 73 0.277 3.396 -3.662 1.00 73.53 H new ATOM 0 HB3 TYR A 73 1.426 3.825 -4.913 1.00 73.53 H new ATOM 0 HD1 TYR A 73 0.535 5.145 -1.495 1.00 71.53 H new ATOM 0 HD2 TYR A 73 3.637 3.944 -4.163 1.00 41.33 H new ATOM 0 HE1 TYR A 73 2.212 5.653 0.226 1.00 21.22 H new ATOM 0 HE2 TYR A 73 5.310 4.443 -2.441 1.00 14.34 H new ATOM 0 HH TYR A 73 5.659 4.950 -0.292 1.00 75.41 H new ATOM 1155 N LYS A 74 0.972 6.288 -6.500 1.00 34.12 N ATOM 1156 CA LYS A 74 1.656 7.273 -7.353 1.00 63.34 C ATOM 1157 C LYS A 74 0.905 8.618 -7.366 1.00 24.42 C ATOM 1158 O LYS A 74 1.516 9.681 -7.265 1.00 72.41 O ATOM 1159 CB LYS A 74 1.811 6.733 -8.791 1.00 74.20 C ATOM 1160 CG LYS A 74 3.215 6.222 -9.150 1.00 5.53 C ATOM 1161 CD LYS A 74 3.604 4.917 -8.437 1.00 11.32 C ATOM 1162 CE LYS A 74 4.051 5.133 -6.994 1.00 10.44 C ATOM 1163 NZ LYS A 74 4.592 3.890 -6.375 1.00 0.14 N ATOM 0 H LYS A 74 0.585 5.491 -7.005 1.00 34.12 H new ATOM 0 HA LYS A 74 2.648 7.443 -6.934 1.00 63.34 H new ATOM 0 HB2 LYS A 74 1.098 5.921 -8.936 1.00 74.20 H new ATOM 0 HB3 LYS A 74 1.540 7.524 -9.490 1.00 74.20 H new ATOM 0 HG2 LYS A 74 3.270 6.066 -10.227 1.00 5.53 H new ATOM 0 HG3 LYS A 74 3.946 6.992 -8.902 1.00 5.53 H new ATOM 0 HD2 LYS A 74 2.753 4.236 -8.449 1.00 11.32 H new ATOM 0 HD3 LYS A 74 4.408 4.433 -8.991 1.00 11.32 H new ATOM 0 HE2 LYS A 74 4.813 5.912 -6.965 1.00 10.44 H new ATOM 0 HE3 LYS A 74 3.207 5.492 -6.405 1.00 10.44 H new ATOM 0 HZ1 LYS A 74 5.166 4.137 -5.544 1.00 0.14 H new ATOM 0 HZ2 LYS A 74 3.805 3.277 -6.082 1.00 0.14 H new ATOM 0 HZ3 LYS A 74 5.184 3.387 -7.067 1.00 0.14 H new ATOM 1177 N HIS A 75 -0.420 8.563 -7.485 1.00 54.11 N ATOM 1178 CA HIS A 75 -1.243 9.778 -7.483 1.00 60.31 C ATOM 1179 C HIS A 75 -1.418 10.342 -6.061 1.00 11.04 C ATOM 1180 O HIS A 75 -1.673 11.532 -5.883 1.00 4.24 O ATOM 1181 CB HIS A 75 -2.614 9.485 -8.103 1.00 31.11 C ATOM 1182 CG HIS A 75 -3.503 10.693 -8.208 1.00 3.15 C ATOM 1183 ND1 HIS A 75 -4.627 10.882 -7.428 1.00 3.33 N ATOM 1184 CD2 HIS A 75 -3.428 11.782 -9.015 1.00 62.25 C ATOM 1185 CE1 HIS A 75 -5.201 12.023 -7.753 1.00 74.30 C ATOM 1186 NE2 HIS A 75 -4.495 12.588 -8.709 1.00 31.12 N ATOM 0 H HIS A 75 -0.948 7.696 -7.584 1.00 54.11 H new ATOM 0 HA HIS A 75 -0.728 10.530 -8.080 1.00 60.31 H new ATOM 0 HB2 HIS A 75 -2.470 9.064 -9.098 1.00 31.11 H new ATOM 0 HB3 HIS A 75 -3.118 8.725 -7.505 1.00 31.11 H new ATOM 0 HD2 HIS A 75 -2.670 11.977 -9.759 1.00 62.25 H new ATOM 0 HE1 HIS A 75 -6.099 12.426 -7.309 1.00 74.30 H new ATOM 0 HE2 HIS A 75 -4.707 13.482 -9.152 1.00 31.12 H new ATOM 1195 N PHE A 76 -1.277 9.476 -5.060 1.00 31.35 N ATOM 1196 CA PHE A 76 -1.433 9.865 -3.653 1.00 71.25 C ATOM 1197 C PHE A 76 -0.311 10.820 -3.214 1.00 42.55 C ATOM 1198 O PHE A 76 -0.567 11.851 -2.591 1.00 64.23 O ATOM 1199 CB PHE A 76 -1.455 8.612 -2.761 1.00 22.31 C ATOM 1200 CG PHE A 76 -1.725 8.898 -1.302 1.00 11.20 C ATOM 1201 CD1 PHE A 76 -2.989 9.286 -0.878 1.00 63.45 C ATOM 1202 CD2 PHE A 76 -0.714 8.779 -0.355 1.00 51.13 C ATOM 1203 CE1 PHE A 76 -3.239 9.547 0.457 1.00 14.14 C ATOM 1204 CE2 PHE A 76 -0.961 9.039 0.980 1.00 14.21 C ATOM 1205 CZ PHE A 76 -2.224 9.424 1.386 1.00 14.35 C ATOM 0 H PHE A 76 -1.053 8.490 -5.196 1.00 31.35 H new ATOM 0 HA PHE A 76 -2.380 10.393 -3.546 1.00 71.25 H new ATOM 0 HB2 PHE A 76 -2.217 7.928 -3.133 1.00 22.31 H new ATOM 0 HB3 PHE A 76 -0.497 8.100 -2.849 1.00 22.31 H new ATOM 0 HD1 PHE A 76 -3.787 9.385 -1.599 1.00 63.45 H new ATOM 0 HD2 PHE A 76 0.276 8.480 -0.666 1.00 51.13 H new ATOM 0 HE1 PHE A 76 -4.227 9.847 0.773 1.00 14.14 H new ATOM 0 HE2 PHE A 76 -0.167 8.941 1.705 1.00 14.21 H new ATOM 0 HZ PHE A 76 -2.418 9.629 2.429 1.00 14.35 H new ATOM 1215 N LYS A 77 0.934 10.477 -3.545 1.00 31.13 N ATOM 1216 CA LYS A 77 2.067 11.371 -3.272 1.00 53.30 C ATOM 1217 C LYS A 77 1.996 12.628 -4.155 1.00 60.03 C ATOM 1218 O LYS A 77 2.594 13.657 -3.839 1.00 0.32 O ATOM 1219 CB LYS A 77 3.410 10.653 -3.498 1.00 14.32 C ATOM 1220 CG LYS A 77 3.618 10.144 -4.925 1.00 54.53 C ATOM 1221 CD LYS A 77 5.058 9.685 -5.178 1.00 34.32 C ATOM 1222 CE LYS A 77 6.047 10.849 -5.127 1.00 54.34 C ATOM 1223 NZ LYS A 77 7.426 10.430 -5.509 1.00 43.22 N ATOM 0 H LYS A 77 1.185 9.598 -3.997 1.00 31.13 H new ATOM 0 HA LYS A 77 2.004 11.668 -2.225 1.00 53.30 H new ATOM 0 HB2 LYS A 77 4.221 11.336 -3.246 1.00 14.32 H new ATOM 0 HB3 LYS A 77 3.479 9.810 -2.810 1.00 14.32 H new ATOM 0 HG2 LYS A 77 2.937 9.315 -5.115 1.00 54.53 H new ATOM 0 HG3 LYS A 77 3.362 10.934 -5.631 1.00 54.53 H new ATOM 0 HD2 LYS A 77 5.337 8.939 -4.434 1.00 34.32 H new ATOM 0 HD3 LYS A 77 5.118 9.200 -6.153 1.00 34.32 H new ATOM 0 HE2 LYS A 77 5.710 11.640 -5.797 1.00 54.34 H new ATOM 0 HE3 LYS A 77 6.061 11.268 -4.121 1.00 54.34 H new ATOM 0 HZ1 LYS A 77 8.064 11.250 -5.461 1.00 43.22 H new ATOM 0 HZ2 LYS A 77 7.759 9.693 -4.855 1.00 43.22 H new ATOM 0 HZ3 LYS A 77 7.418 10.054 -6.479 1.00 43.22 H new ATOM 1237 N LYS A 78 1.258 12.539 -5.264 1.00 15.52 N ATOM 1238 CA LYS A 78 1.119 13.668 -6.191 1.00 74.51 C ATOM 1239 C LYS A 78 -0.224 14.406 -5.990 1.00 33.31 C ATOM 1240 O LYS A 78 -0.691 15.117 -6.877 1.00 62.04 O ATOM 1241 CB LYS A 78 1.255 13.182 -7.646 1.00 24.14 C ATOM 1242 CG LYS A 78 1.491 14.314 -8.647 1.00 3.01 C ATOM 1243 CD LYS A 78 2.799 15.047 -8.363 1.00 34.04 C ATOM 1244 CE LYS A 78 2.908 16.356 -9.137 1.00 22.22 C ATOM 1245 NZ LYS A 78 2.701 16.174 -10.597 1.00 11.35 N ATOM 0 H LYS A 78 0.748 11.700 -5.543 1.00 15.52 H new ATOM 0 HA LYS A 78 1.919 14.377 -5.978 1.00 74.51 H new ATOM 0 HB2 LYS A 78 2.081 12.474 -7.709 1.00 24.14 H new ATOM 0 HB3 LYS A 78 0.351 12.642 -7.927 1.00 24.14 H new ATOM 0 HG2 LYS A 78 1.512 13.908 -9.658 1.00 3.01 H new ATOM 0 HG3 LYS A 78 0.661 15.019 -8.603 1.00 3.01 H new ATOM 0 HD2 LYS A 78 2.874 15.252 -7.295 1.00 34.04 H new ATOM 0 HD3 LYS A 78 3.638 14.402 -8.624 1.00 34.04 H new ATOM 0 HE2 LYS A 78 2.172 17.063 -8.754 1.00 22.22 H new ATOM 0 HE3 LYS A 78 3.891 16.795 -8.965 1.00 22.22 H new ATOM 0 HZ1 LYS A 78 2.918 17.063 -11.092 1.00 11.35 H new ATOM 0 HZ2 LYS A 78 3.329 15.422 -10.945 1.00 11.35 H new ATOM 0 HZ3 LYS A 78 1.711 15.910 -10.777 1.00 11.35 H new