USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 636 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 84 SER OG : rot 180:sc=0.000963 USER MOD Set 1.2: A 85 THR OG1 : rot -54:sc= -0.234! USER MOD Set 2.1: A 68 CYS SG : rot -121:sc= 1.16 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0.229 USER MOD Set 3.1: A 17 MET CE :methyl -120:sc= -3.61! (180deg=-7.76!) USER MOD Set 3.2: A 49 SER OG : rot 100:sc= 1.01 USER MOD Set 3.3: A 64 HIS : no HE2:sc= -5.16! C(o=-7.8!,f=-21!) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 24 GLN : amide:sc= -1.74! C(o=-1.7!,f=-1.6!) USER MOD Set 5.1: A 13 TYR OH : rot 179:sc= -1.1 USER MOD Set 5.2: A 15 LYS NZ :NH3+ -121:sc= -0.0145 (180deg=-0.421) USER MOD Single : A 14 SER OG : rot 180:sc= -0.132 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 1.06 (180deg=0.837) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= 1.99 (180deg=-1.08) USER MOD Single : A 40 SER OG : rot 100:sc= -0.648 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -0.242 (180deg=-2.05!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 70:sc= -2.99! USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -1.97 (180deg=-3.67!) USER MOD Single : A 54 SER OG : rot 30:sc= 1.32 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -140:sc= -0.581 USER MOD Single : A 69 SER OG : rot 106:sc= -5.34! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.84! USER MOD Single : A 72 GLN : amide:sc= -0.405 K(o=-0.41,f=-1.7) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.19! C(o=-9.3!,f=-5.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.1) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.360 3.767 -11.815 1.00 0.00 N ATOM 151 CA GLU A 11 -4.168 4.147 -10.618 1.00 0.00 C ATOM 152 C GLU A 11 -3.451 3.762 -9.327 1.00 0.00 C ATOM 153 O GLU A 11 -3.016 4.610 -8.572 1.00 0.00 O ATOM 154 CB GLU A 11 -5.486 3.373 -10.726 1.00 0.00 C ATOM 155 CG GLU A 11 -6.655 4.317 -10.450 1.00 0.00 C ATOM 156 CD GLU A 11 -7.236 4.817 -11.774 1.00 0.00 C ATOM 157 OE1 GLU A 11 -8.005 4.084 -12.376 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.903 5.924 -12.165 1.00 0.00 O ATOM 0 HA GLU A 11 -4.329 5.225 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.584 2.937 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.495 2.548 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.424 3.801 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.319 5.161 -9.847 1.00 0.00 H new ATOM 165 N TRP A 12 -3.349 2.489 -9.054 1.00 0.00 N ATOM 166 CA TRP A 12 -2.694 2.050 -7.792 1.00 0.00 C ATOM 167 C TRP A 12 -1.295 2.653 -7.651 1.00 0.00 C ATOM 168 O TRP A 12 -0.768 2.751 -6.565 1.00 0.00 O ATOM 169 CB TRP A 12 -2.630 0.521 -7.872 1.00 0.00 C ATOM 170 CG TRP A 12 -1.719 0.086 -8.976 1.00 0.00 C ATOM 171 CD1 TRP A 12 -2.125 -0.386 -10.176 1.00 0.00 C ATOM 172 CD2 TRP A 12 -0.262 0.062 -8.999 1.00 0.00 C ATOM 173 NE1 TRP A 12 -1.010 -0.699 -10.933 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.161 -0.437 -10.252 1.00 0.00 C ATOM 175 CE3 TRP A 12 0.721 0.425 -8.063 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.513 -0.575 -10.566 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.085 0.288 -8.376 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.479 -0.211 -9.624 1.00 0.00 C ATOM 0 H TRP A 12 -3.691 1.736 -9.651 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.252 2.384 -6.918 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.278 0.117 -6.923 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.629 0.119 -8.039 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.151 -0.500 -10.492 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.049 -1.077 -11.879 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.427 0.811 -7.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 1.811 -0.960 -11.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.833 0.569 -7.650 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.528 -0.314 -9.858 1.00 0.00 H new ATOM 189 N TYR A 13 -0.690 3.065 -8.727 1.00 0.00 N ATOM 190 CA TYR A 13 0.674 3.660 -8.615 1.00 0.00 C ATOM 191 C TYR A 13 0.569 5.141 -8.237 1.00 0.00 C ATOM 192 O TYR A 13 -0.190 5.886 -8.824 1.00 0.00 O ATOM 193 CB TYR A 13 1.297 3.501 -10.001 1.00 0.00 C ATOM 194 CG TYR A 13 2.768 3.837 -9.922 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.571 3.235 -8.944 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.327 4.753 -10.820 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.932 3.548 -8.867 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.689 5.065 -10.742 1.00 0.00 C ATOM 199 CZ TYR A 13 5.492 4.463 -9.766 1.00 0.00 C ATOM 200 OH TYR A 13 6.835 4.770 -9.691 1.00 0.00 O ATOM 0 H TYR A 13 -1.073 3.018 -9.671 1.00 0.00 H new ATOM 0 HA TYR A 13 1.275 3.175 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.163 2.480 -10.359 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.799 4.157 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.139 2.529 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.708 5.219 -11.573 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.551 3.084 -8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.121 5.771 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 13 7.065 5.408 -10.398 1.00 0.00 H new ATOM 210 N SER A 14 1.321 5.572 -7.254 1.00 0.00 N ATOM 211 CA SER A 14 1.252 7.003 -6.838 1.00 0.00 C ATOM 212 C SER A 14 2.640 7.522 -6.458 1.00 0.00 C ATOM 213 O SER A 14 3.382 6.878 -5.742 1.00 0.00 O ATOM 214 CB SER A 14 0.335 7.016 -5.618 1.00 0.00 C ATOM 215 OG SER A 14 -0.803 6.204 -5.876 1.00 0.00 O ATOM 0 H SER A 14 1.976 4.996 -6.725 1.00 0.00 H new ATOM 0 HA SER A 14 0.884 7.642 -7.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.869 6.645 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.024 8.036 -5.393 1.00 0.00 H new ATOM 0 HG SER A 14 -1.393 6.209 -5.093 1.00 0.00 H new ATOM 221 N LYS A 15 2.992 8.686 -6.932 1.00 0.00 N ATOM 222 CA LYS A 15 4.326 9.259 -6.603 1.00 0.00 C ATOM 223 C LYS A 15 4.282 10.000 -5.265 1.00 0.00 C ATOM 224 O LYS A 15 3.654 11.032 -5.133 1.00 0.00 O ATOM 225 CB LYS A 15 4.635 10.229 -7.749 1.00 0.00 C ATOM 226 CG LYS A 15 5.781 9.676 -8.603 1.00 0.00 C ATOM 227 CD LYS A 15 5.486 8.222 -8.993 1.00 0.00 C ATOM 228 CE LYS A 15 6.406 7.281 -8.206 1.00 0.00 C ATOM 229 NZ LYS A 15 5.502 6.266 -7.587 1.00 0.00 N ATOM 0 H LYS A 15 2.410 9.266 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 15 5.089 8.487 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.747 10.373 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.907 11.205 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.905 10.284 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.718 9.730 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.443 7.984 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.638 8.084 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.137 6.808 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.965 7.825 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.608 6.291 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.516 6.480 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.751 5.319 -7.938 1.00 0.00 H new ATOM 243 N HIS A 16 4.957 9.474 -4.278 1.00 0.00 N ATOM 244 CA HIS A 16 4.991 10.125 -2.935 1.00 0.00 C ATOM 245 C HIS A 16 3.582 10.267 -2.356 1.00 0.00 C ATOM 246 O HIS A 16 3.212 11.308 -1.849 1.00 0.00 O ATOM 247 CB HIS A 16 5.625 11.499 -3.165 1.00 0.00 C ATOM 248 CG HIS A 16 7.035 11.323 -3.660 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.540 12.052 -4.724 1.00 0.00 N ATOM 250 CD2 HIS A 16 8.057 10.506 -3.245 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.814 11.663 -4.913 1.00 0.00 C ATOM 252 NE2 HIS A 16 9.180 10.722 -4.038 1.00 0.00 N ATOM 0 H HIS A 16 5.494 8.609 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 16 5.557 9.532 -2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.041 12.064 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.622 12.073 -2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.998 9.803 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.462 12.063 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 16 10.087 10.261 -3.967 1.00 0.00 H new ATOM 260 N MET A 17 2.799 9.223 -2.410 1.00 0.00 N ATOM 261 CA MET A 17 1.422 9.295 -1.843 1.00 0.00 C ATOM 262 C MET A 17 1.487 9.112 -0.323 1.00 0.00 C ATOM 263 O MET A 17 2.365 8.445 0.191 1.00 0.00 O ATOM 264 CB MET A 17 0.663 8.140 -2.495 1.00 0.00 C ATOM 265 CG MET A 17 -0.778 8.109 -1.977 1.00 0.00 C ATOM 266 SD MET A 17 -0.942 6.822 -0.714 1.00 0.00 S ATOM 267 CE MET A 17 -0.535 5.412 -1.772 1.00 0.00 C ATOM 0 H MET A 17 3.053 8.325 -2.822 1.00 0.00 H new ATOM 0 HA MET A 17 0.936 10.252 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.667 8.256 -3.579 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.159 7.195 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.046 9.079 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.467 7.915 -2.799 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.375 4.718 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.330 5.763 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.346 4.904 -1.379 1.00 0.00 H new ATOM 277 N THR A 18 0.579 9.710 0.400 1.00 0.00 N ATOM 278 CA THR A 18 0.606 9.581 1.887 1.00 0.00 C ATOM 279 C THR A 18 -0.227 8.381 2.349 1.00 0.00 C ATOM 280 O THR A 18 -1.314 8.141 1.863 1.00 0.00 O ATOM 281 CB THR A 18 -0.003 10.883 2.408 1.00 0.00 C ATOM 282 OG1 THR A 18 0.474 11.973 1.631 1.00 0.00 O ATOM 283 CG2 THR A 18 0.394 11.082 3.871 1.00 0.00 C ATOM 0 H THR A 18 -0.179 10.281 0.027 1.00 0.00 H new ATOM 0 HA THR A 18 1.617 9.418 2.260 1.00 0.00 H new ATOM 0 HB THR A 18 -1.089 10.833 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.083 12.808 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.040 12.010 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.025 10.246 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.480 11.132 3.950 1.00 0.00 H new ATOM 291 N ARG A 19 0.279 7.636 3.298 1.00 0.00 N ATOM 292 CA ARG A 19 -0.473 6.453 3.820 1.00 0.00 C ATOM 293 C ARG A 19 -1.898 6.860 4.200 1.00 0.00 C ATOM 294 O ARG A 19 -2.854 6.136 3.987 1.00 0.00 O ATOM 295 CB ARG A 19 0.300 6.024 5.073 1.00 0.00 C ATOM 296 CG ARG A 19 0.178 7.110 6.157 1.00 0.00 C ATOM 297 CD ARG A 19 1.158 6.812 7.293 1.00 0.00 C ATOM 298 NE ARG A 19 1.711 8.139 7.682 1.00 0.00 N ATOM 299 CZ ARG A 19 1.048 8.907 8.502 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.548 8.411 9.601 1.00 0.00 N ATOM 301 NH2 ARG A 19 0.883 10.171 8.224 1.00 0.00 N ATOM 0 H ARG A 19 1.186 7.796 3.737 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.551 5.654 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.091 5.078 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.349 5.860 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.388 8.090 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.841 7.142 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.655 6.332 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.948 6.136 6.966 1.00 0.00 H new ATOM 0 HE ARG A 19 2.608 8.447 7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.676 7.423 9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.030 9.012 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.273 10.559 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.364 10.771 8.866 1.00 0.00 H new ATOM 315 N SER A 20 -2.028 8.021 4.769 1.00 0.00 N ATOM 316 CA SER A 20 -3.359 8.515 5.190 1.00 0.00 C ATOM 317 C SER A 20 -4.179 8.892 3.957 1.00 0.00 C ATOM 318 O SER A 20 -5.361 8.619 3.880 1.00 0.00 O ATOM 319 CB SER A 20 -3.039 9.724 6.071 1.00 0.00 C ATOM 320 OG SER A 20 -3.833 10.837 5.678 1.00 0.00 O ATOM 0 H SER A 20 -1.255 8.657 4.962 1.00 0.00 H new ATOM 0 HA SER A 20 -3.956 7.780 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.229 9.483 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.981 9.974 5.989 1.00 0.00 H new ATOM 0 HG SER A 20 -3.623 11.606 6.248 1.00 0.00 H new ATOM 326 N GLN A 21 -3.556 9.491 2.975 1.00 0.00 N ATOM 327 CA GLN A 21 -4.301 9.849 1.738 1.00 0.00 C ATOM 328 C GLN A 21 -4.841 8.573 1.105 1.00 0.00 C ATOM 329 O GLN A 21 -5.967 8.524 0.653 1.00 0.00 O ATOM 330 CB GLN A 21 -3.276 10.523 0.825 1.00 0.00 C ATOM 331 CG GLN A 21 -3.036 11.957 1.305 1.00 0.00 C ATOM 332 CD GLN A 21 -3.919 12.921 0.509 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.121 12.550 0.162 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -3.511 14.023 0.201 1.00 0.00 N flip ATOM 0 H GLN A 21 -2.568 9.745 2.979 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.147 10.510 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.341 9.963 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.636 10.527 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.260 12.037 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.986 12.222 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.571 14.313 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.108 14.658 -0.329 1.00 0.00 H new ATOM 343 N ALA A 22 -4.055 7.527 1.094 1.00 0.00 N ATOM 344 CA ALA A 22 -4.545 6.248 0.519 1.00 0.00 C ATOM 345 C ALA A 22 -5.723 5.764 1.354 1.00 0.00 C ATOM 346 O ALA A 22 -6.728 5.346 0.830 1.00 0.00 O ATOM 347 CB ALA A 22 -3.372 5.266 0.611 1.00 0.00 C ATOM 0 H ALA A 22 -3.102 7.507 1.457 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.879 6.349 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.672 4.301 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.527 5.655 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.082 5.143 1.654 1.00 0.00 H new ATOM 353 N GLU A 23 -5.607 5.843 2.653 1.00 0.00 N ATOM 354 CA GLU A 23 -6.730 5.406 3.533 1.00 0.00 C ATOM 355 C GLU A 23 -8.005 6.172 3.188 1.00 0.00 C ATOM 356 O GLU A 23 -9.033 5.588 2.905 1.00 0.00 O ATOM 357 CB GLU A 23 -6.288 5.756 4.956 1.00 0.00 C ATOM 358 CG GLU A 23 -5.432 4.627 5.529 1.00 0.00 C ATOM 359 CD GLU A 23 -5.851 4.346 6.973 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.971 5.294 7.731 1.00 0.00 O ATOM 361 OE2 GLU A 23 -6.046 3.185 7.298 1.00 0.00 O ATOM 0 H GLU A 23 -4.783 6.191 3.143 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.944 4.344 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.721 6.687 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.161 5.918 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.547 3.727 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.378 4.902 5.493 1.00 0.00 H new ATOM 368 N GLN A 24 -7.955 7.478 3.228 1.00 0.00 N ATOM 369 CA GLN A 24 -9.176 8.269 2.921 1.00 0.00 C ATOM 370 C GLN A 24 -9.627 8.036 1.483 1.00 0.00 C ATOM 371 O GLN A 24 -10.796 7.802 1.240 1.00 0.00 O ATOM 372 CB GLN A 24 -8.808 9.736 3.161 1.00 0.00 C ATOM 373 CG GLN A 24 -7.647 10.154 2.256 1.00 0.00 C ATOM 374 CD GLN A 24 -7.222 11.582 2.606 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.621 12.525 1.951 1.00 0.00 O ATOM 376 NE2 GLN A 24 -6.425 11.781 3.619 1.00 0.00 N ATOM 0 H GLN A 24 -7.126 8.025 3.459 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.012 7.971 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.673 10.370 2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.533 9.882 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.807 9.471 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.948 10.098 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.091 10.989 4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.136 12.729 3.862 1.00 0.00 H new ATOM 385 N LEU A 25 -8.742 8.081 0.519 1.00 0.00 N ATOM 386 CA LEU A 25 -9.217 7.839 -0.868 1.00 0.00 C ATOM 387 C LEU A 25 -9.600 6.368 -1.020 1.00 0.00 C ATOM 388 O LEU A 25 -10.457 6.030 -1.807 1.00 0.00 O ATOM 389 CB LEU A 25 -8.085 8.246 -1.821 1.00 0.00 C ATOM 390 CG LEU A 25 -6.870 7.333 -1.648 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.030 6.098 -2.542 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.605 8.098 -2.058 1.00 0.00 C ATOM 0 H LEU A 25 -7.745 8.268 0.629 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.104 8.427 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.437 8.198 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.798 9.280 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.790 7.020 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.165 5.446 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.934 5.558 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.105 6.410 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.735 7.453 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.687 8.405 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.493 8.980 -1.428 1.00 0.00 H new ATOM 404 N LEU A 26 -9.008 5.493 -0.244 1.00 0.00 N ATOM 405 CA LEU A 26 -9.398 4.058 -0.336 1.00 0.00 C ATOM 406 C LEU A 26 -10.805 3.915 0.245 1.00 0.00 C ATOM 407 O LEU A 26 -11.725 3.493 -0.428 1.00 0.00 O ATOM 408 CB LEU A 26 -8.382 3.287 0.511 1.00 0.00 C ATOM 409 CG LEU A 26 -7.235 2.782 -0.378 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.139 2.158 0.491 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.762 1.727 -1.357 1.00 0.00 C ATOM 0 H LEU A 26 -8.282 5.709 0.439 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.403 3.682 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.988 3.931 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.870 2.446 1.003 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.824 3.624 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.329 1.802 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.754 2.906 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.553 1.321 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.944 1.373 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.180 0.889 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.537 2.168 -1.985 1.00 0.00 H new ATOM 423 N LYS A 27 -10.981 4.296 1.488 1.00 0.00 N ATOM 424 CA LYS A 27 -12.335 4.219 2.115 1.00 0.00 C ATOM 425 C LYS A 27 -13.365 4.920 1.225 1.00 0.00 C ATOM 426 O LYS A 27 -14.402 4.375 0.900 1.00 0.00 O ATOM 427 CB LYS A 27 -12.189 4.975 3.437 1.00 0.00 C ATOM 428 CG LYS A 27 -13.527 4.983 4.181 1.00 0.00 C ATOM 429 CD LYS A 27 -13.837 3.577 4.692 1.00 0.00 C ATOM 430 CE LYS A 27 -14.887 3.654 5.805 1.00 0.00 C ATOM 431 NZ LYS A 27 -16.196 3.548 5.106 1.00 0.00 N ATOM 0 H LYS A 27 -10.244 4.657 2.094 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.672 3.192 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.423 4.504 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.862 5.997 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.487 5.683 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.322 5.323 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.203 2.955 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.928 3.107 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.758 2.847 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.809 4.590 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.866 4.228 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.068 3.758 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.570 2.584 5.214 1.00 0.00 H new ATOM 445 N GLN A 28 -13.080 6.136 0.846 1.00 0.00 N ATOM 446 CA GLN A 28 -14.034 6.904 -0.010 1.00 0.00 C ATOM 447 C GLN A 28 -14.261 6.211 -1.364 1.00 0.00 C ATOM 448 O GLN A 28 -15.365 6.197 -1.875 1.00 0.00 O ATOM 449 CB GLN A 28 -13.381 8.274 -0.198 1.00 0.00 C ATOM 450 CG GLN A 28 -14.464 9.322 -0.470 1.00 0.00 C ATOM 451 CD GLN A 28 -14.131 10.611 0.284 1.00 0.00 C ATOM 452 OE1 GLN A 28 -14.123 10.632 1.499 1.00 0.00 O ATOM 453 NE2 GLN A 28 -13.853 11.693 -0.389 1.00 0.00 N ATOM 0 H GLN A 28 -12.225 6.634 1.092 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.019 6.978 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.814 8.544 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.675 8.241 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.531 9.521 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.437 8.945 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.860 11.675 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.629 12.557 0.104 1.00 0.00 H new ATOM 462 N GLU A 29 -13.243 5.625 -1.951 1.00 0.00 N ATOM 463 CA GLU A 29 -13.442 4.930 -3.264 1.00 0.00 C ATOM 464 C GLU A 29 -14.512 3.852 -3.087 1.00 0.00 C ATOM 465 O GLU A 29 -15.335 3.628 -3.951 1.00 0.00 O ATOM 466 CB GLU A 29 -12.079 4.322 -3.631 1.00 0.00 C ATOM 467 CG GLU A 29 -12.008 4.063 -5.140 1.00 0.00 C ATOM 468 CD GLU A 29 -11.372 5.266 -5.838 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.501 5.881 -5.243 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.764 5.552 -6.958 1.00 0.00 O ATOM 0 H GLU A 29 -12.292 5.598 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.778 5.600 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.278 4.998 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.929 3.390 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.424 3.164 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.008 3.887 -5.536 1.00 0.00 H new ATOM 477 N GLY A 30 -14.521 3.211 -1.948 1.00 0.00 N ATOM 478 CA GLY A 30 -15.553 2.176 -1.676 1.00 0.00 C ATOM 479 C GLY A 30 -15.308 0.931 -2.530 1.00 0.00 C ATOM 480 O GLY A 30 -16.231 0.248 -2.931 1.00 0.00 O ATOM 0 H GLY A 30 -13.853 3.363 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.536 1.908 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.544 2.579 -1.887 1.00 0.00 H new ATOM 484 N LYS A 31 -14.072 0.634 -2.809 1.00 0.00 N ATOM 485 CA LYS A 31 -13.749 -0.567 -3.639 1.00 0.00 C ATOM 486 C LYS A 31 -13.159 -1.674 -2.762 1.00 0.00 C ATOM 487 O LYS A 31 -12.045 -1.564 -2.290 1.00 0.00 O ATOM 488 CB LYS A 31 -12.696 -0.083 -4.639 1.00 0.00 C ATOM 489 CG LYS A 31 -13.101 1.284 -5.209 1.00 0.00 C ATOM 490 CD LYS A 31 -14.456 1.179 -5.916 1.00 0.00 C ATOM 491 CE LYS A 31 -14.281 1.456 -7.411 1.00 0.00 C ATOM 492 NZ LYS A 31 -13.998 0.125 -8.017 1.00 0.00 N ATOM 0 H LYS A 31 -13.263 1.172 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.633 -0.976 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.725 -0.009 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.591 -0.806 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.157 2.019 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.343 1.634 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.878 0.185 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.159 1.892 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.179 1.902 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.463 2.154 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.994 0.072 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.213 -0.623 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.589 -0.004 -8.863 1.00 0.00 H new ATOM 506 N GLU A 32 -13.879 -2.744 -2.540 1.00 0.00 N ATOM 507 CA GLU A 32 -13.317 -3.836 -1.689 1.00 0.00 C ATOM 508 C GLU A 32 -12.017 -4.363 -2.290 1.00 0.00 C ATOM 509 O GLU A 32 -12.015 -5.265 -3.106 1.00 0.00 O ATOM 510 CB GLU A 32 -14.366 -4.947 -1.634 1.00 0.00 C ATOM 511 CG GLU A 32 -14.878 -5.268 -3.043 1.00 0.00 C ATOM 512 CD GLU A 32 -16.333 -4.816 -3.177 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.653 -3.755 -2.664 1.00 0.00 O ATOM 514 OE2 GLU A 32 -17.103 -5.537 -3.790 1.00 0.00 O ATOM 0 H GLU A 32 -14.817 -2.908 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.090 -3.468 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.935 -5.841 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.197 -4.640 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.261 -4.766 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.800 -6.338 -3.234 1.00 0.00 H new ATOM 521 N GLY A 33 -10.910 -3.810 -1.882 1.00 0.00 N ATOM 522 CA GLY A 33 -9.604 -4.271 -2.407 1.00 0.00 C ATOM 523 C GLY A 33 -8.917 -3.149 -3.198 1.00 0.00 C ATOM 524 O GLY A 33 -8.107 -3.403 -4.065 1.00 0.00 O ATOM 0 H GLY A 33 -10.858 -3.052 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.965 -4.587 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.749 -5.140 -3.049 1.00 0.00 H new ATOM 528 N GLY A 34 -9.209 -1.910 -2.909 1.00 0.00 N ATOM 529 CA GLY A 34 -8.539 -0.810 -3.659 1.00 0.00 C ATOM 530 C GLY A 34 -7.037 -0.905 -3.413 1.00 0.00 C ATOM 531 O GLY A 34 -6.537 -0.499 -2.384 1.00 0.00 O ATOM 0 H GLY A 34 -9.874 -1.614 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.755 -0.891 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.917 0.158 -3.330 1.00 0.00 H new ATOM 535 N PHE A 35 -6.325 -1.467 -4.348 1.00 0.00 N ATOM 536 CA PHE A 35 -4.853 -1.636 -4.185 1.00 0.00 C ATOM 537 C PHE A 35 -4.092 -0.413 -4.708 1.00 0.00 C ATOM 538 O PHE A 35 -4.266 -0.001 -5.837 1.00 0.00 O ATOM 539 CB PHE A 35 -4.535 -2.871 -5.030 1.00 0.00 C ATOM 540 CG PHE A 35 -3.067 -3.206 -4.924 1.00 0.00 C ATOM 541 CD1 PHE A 35 -2.132 -2.499 -5.688 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.644 -4.229 -4.069 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.772 -2.815 -5.596 1.00 0.00 C ATOM 544 CE2 PHE A 35 -1.284 -4.546 -3.976 1.00 0.00 C ATOM 545 CZ PHE A 35 -0.347 -3.838 -4.740 1.00 0.00 C ATOM 0 H PHE A 35 -6.703 -1.820 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.558 -1.744 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.135 -3.717 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.800 -2.687 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.460 -1.710 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.367 -4.774 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.050 -2.270 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.957 -5.336 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.703 -4.081 -4.669 1.00 0.00 H new ATOM 555 N ILE A 36 -3.238 0.162 -3.897 1.00 0.00 N ATOM 556 CA ILE A 36 -2.450 1.346 -4.346 1.00 0.00 C ATOM 557 C ILE A 36 -0.997 1.204 -3.878 1.00 0.00 C ATOM 558 O ILE A 36 -0.699 0.424 -2.998 1.00 0.00 O ATOM 559 CB ILE A 36 -3.123 2.551 -3.689 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.562 2.660 -4.200 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.353 3.827 -4.046 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.247 3.871 -3.562 1.00 0.00 C ATOM 0 H ILE A 36 -3.054 -0.141 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.428 1.449 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.126 2.425 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.566 2.758 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.113 1.751 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.834 4.685 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.327 3.745 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.350 3.959 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.271 3.945 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.257 3.754 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.702 4.778 -3.824 1.00 0.00 H new ATOM 574 N VAL A 37 -0.091 1.941 -4.465 1.00 0.00 N ATOM 575 CA VAL A 37 1.341 1.833 -4.053 1.00 0.00 C ATOM 576 C VAL A 37 2.069 3.162 -4.275 1.00 0.00 C ATOM 577 O VAL A 37 1.617 4.016 -5.012 1.00 0.00 O ATOM 578 CB VAL A 37 1.952 0.760 -4.958 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.394 0.494 -4.520 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.146 -0.538 -4.857 1.00 0.00 C ATOM 0 H VAL A 37 -0.279 2.612 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 37 1.429 1.583 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 37 1.934 1.111 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.834 -0.270 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.974 1.413 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.402 0.148 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.590 -1.293 -5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.155 -0.893 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.118 -0.353 -5.167 1.00 0.00 H new ATOM 590 N ARG A 38 3.207 3.327 -3.654 1.00 0.00 N ATOM 591 CA ARG A 38 3.988 4.587 -3.835 1.00 0.00 C ATOM 592 C ARG A 38 5.380 4.437 -3.215 1.00 0.00 C ATOM 593 O ARG A 38 5.653 3.495 -2.497 1.00 0.00 O ATOM 594 CB ARG A 38 3.191 5.674 -3.113 1.00 0.00 C ATOM 595 CG ARG A 38 3.034 5.311 -1.633 1.00 0.00 C ATOM 596 CD ARG A 38 4.153 5.972 -0.825 1.00 0.00 C ATOM 597 NE ARG A 38 3.584 6.162 0.539 1.00 0.00 N ATOM 598 CZ ARG A 38 4.370 6.453 1.539 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.092 5.518 2.094 1.00 0.00 N ATOM 600 NH2 ARG A 38 4.434 7.678 1.985 1.00 0.00 N ATOM 0 H ARG A 38 3.631 2.642 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 38 4.130 4.830 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.699 6.634 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.210 5.785 -3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.062 5.642 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.070 4.229 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.043 5.344 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.448 6.924 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 38 2.580 6.065 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.042 4.561 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.707 5.745 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.869 8.409 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.049 7.905 2.767 1.00 0.00 H new ATOM 614 N ASP A 39 6.263 5.360 -3.492 1.00 0.00 N ATOM 615 CA ASP A 39 7.642 5.271 -2.925 1.00 0.00 C ATOM 616 C ASP A 39 7.760 6.122 -1.656 1.00 0.00 C ATOM 617 O ASP A 39 7.048 7.092 -1.479 1.00 0.00 O ATOM 618 CB ASP A 39 8.556 5.815 -4.023 1.00 0.00 C ATOM 619 CG ASP A 39 10.016 5.703 -3.578 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.346 4.717 -2.940 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.778 6.604 -3.885 1.00 0.00 O ATOM 0 H ASP A 39 6.090 6.171 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 39 7.903 4.251 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.403 5.257 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.308 6.855 -4.234 1.00 0.00 H new ATOM 626 N SER A 40 8.655 5.765 -0.770 1.00 0.00 N ATOM 627 CA SER A 40 8.823 6.550 0.488 1.00 0.00 C ATOM 628 C SER A 40 9.948 7.580 0.331 1.00 0.00 C ATOM 629 O SER A 40 10.232 8.039 -0.758 1.00 0.00 O ATOM 630 CB SER A 40 9.187 5.515 1.552 1.00 0.00 C ATOM 631 OG SER A 40 9.068 6.105 2.839 1.00 0.00 O ATOM 0 H SER A 40 9.277 4.962 -0.865 1.00 0.00 H new ATOM 0 HA SER A 40 7.923 7.107 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.530 4.649 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.205 5.158 1.395 1.00 0.00 H new ATOM 0 HG SER A 40 8.215 5.840 3.243 1.00 0.00 H new ATOM 637 N SER A 41 10.588 7.945 1.412 1.00 0.00 N ATOM 638 CA SER A 41 11.693 8.945 1.326 1.00 0.00 C ATOM 639 C SER A 41 12.845 8.546 2.255 1.00 0.00 C ATOM 640 O SER A 41 14.001 8.622 1.890 1.00 0.00 O ATOM 641 CB SER A 41 11.069 10.262 1.783 1.00 0.00 C ATOM 642 OG SER A 41 9.873 10.495 1.051 1.00 0.00 O ATOM 0 H SER A 41 10.393 7.594 2.350 1.00 0.00 H new ATOM 0 HA SER A 41 12.108 9.016 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.854 10.224 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.769 11.083 1.628 1.00 0.00 H new ATOM 0 HG SER A 41 9.470 11.339 1.343 1.00 0.00 H new ATOM 648 N LYS A 42 12.536 8.120 3.451 1.00 0.00 N ATOM 649 CA LYS A 42 13.614 7.717 4.403 1.00 0.00 C ATOM 650 C LYS A 42 14.380 6.514 3.849 1.00 0.00 C ATOM 651 O LYS A 42 15.567 6.583 3.596 1.00 0.00 O ATOM 652 CB LYS A 42 12.887 7.344 5.695 1.00 0.00 C ATOM 653 CG LYS A 42 12.323 8.609 6.347 1.00 0.00 C ATOM 654 CD LYS A 42 11.801 8.278 7.749 1.00 0.00 C ATOM 655 CE LYS A 42 10.318 8.647 7.846 1.00 0.00 C ATOM 656 NZ LYS A 42 9.593 7.473 7.286 1.00 0.00 N ATOM 0 H LYS A 42 11.585 8.033 3.810 1.00 0.00 H new ATOM 0 HA LYS A 42 14.342 8.512 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.081 6.642 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.573 6.844 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.097 9.374 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.518 9.017 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.936 7.217 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.372 8.825 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.025 8.836 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.099 9.553 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.569 7.650 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.887 7.321 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.816 6.627 7.848 1.00 0.00 H new ATOM 670 N ALA A 43 13.707 5.411 3.654 1.00 0.00 N ATOM 671 CA ALA A 43 14.392 4.201 3.111 1.00 0.00 C ATOM 672 C ALA A 43 14.372 4.220 1.586 1.00 0.00 C ATOM 673 O ALA A 43 15.098 3.489 0.939 1.00 0.00 O ATOM 674 CB ALA A 43 13.566 3.013 3.608 1.00 0.00 C ATOM 0 H ALA A 43 12.712 5.295 3.847 1.00 0.00 H new ATOM 0 HA ALA A 43 15.433 4.153 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.010 2.085 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.553 3.010 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.546 3.097 3.233 1.00 0.00 H new ATOM 680 N GLY A 44 13.513 5.010 1.005 1.00 0.00 N ATOM 681 CA GLY A 44 13.417 5.021 -0.475 1.00 0.00 C ATOM 682 C GLY A 44 12.748 3.713 -0.884 1.00 0.00 C ATOM 683 O GLY A 44 12.955 3.197 -1.966 1.00 0.00 O ATOM 0 H GLY A 44 12.878 5.644 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.835 5.876 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.406 5.107 -0.926 1.00 0.00 H new ATOM 687 N LYS A 45 11.941 3.174 -0.003 1.00 0.00 N ATOM 688 CA LYS A 45 11.244 1.893 -0.301 1.00 0.00 C ATOM 689 C LYS A 45 9.837 2.183 -0.826 1.00 0.00 C ATOM 690 O LYS A 45 9.453 3.325 -0.982 1.00 0.00 O ATOM 691 CB LYS A 45 11.189 1.088 1.013 1.00 0.00 C ATOM 692 CG LYS A 45 10.937 1.991 2.229 1.00 0.00 C ATOM 693 CD LYS A 45 9.475 2.429 2.254 1.00 0.00 C ATOM 694 CE LYS A 45 9.204 3.224 3.536 1.00 0.00 C ATOM 695 NZ LYS A 45 9.604 2.317 4.652 1.00 0.00 N ATOM 0 H LYS A 45 11.737 3.572 0.914 1.00 0.00 H new ATOM 0 HA LYS A 45 11.770 1.323 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.399 0.339 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.127 0.550 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.182 1.457 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.587 2.865 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.252 3.041 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.822 1.558 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.780 4.149 3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.153 3.502 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.001 2.499 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.492 1.327 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.598 2.492 4.902 1.00 0.00 H new ATOM 709 N TYR A 46 9.066 1.167 -1.107 1.00 0.00 N ATOM 710 CA TYR A 46 7.688 1.403 -1.633 1.00 0.00 C ATOM 711 C TYR A 46 6.640 0.940 -0.615 1.00 0.00 C ATOM 712 O TYR A 46 6.929 0.175 0.284 1.00 0.00 O ATOM 713 CB TYR A 46 7.588 0.565 -2.917 1.00 0.00 C ATOM 714 CG TYR A 46 8.741 0.873 -3.860 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.417 2.099 -3.787 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.130 -0.075 -4.816 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.474 2.374 -4.661 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.187 0.201 -5.691 1.00 0.00 C ATOM 719 CZ TYR A 46 10.860 1.425 -5.613 1.00 0.00 C ATOM 720 OH TYR A 46 11.903 1.696 -6.476 1.00 0.00 O ATOM 0 H TYR A 46 9.328 0.187 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 46 7.505 2.461 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.593 -0.495 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.641 0.769 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.121 2.834 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.613 -1.021 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.992 3.320 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.483 -0.532 -6.427 1.00 0.00 H new ATOM 0 HH TYR A 46 12.042 0.931 -7.072 1.00 0.00 H new ATOM 730 N THR A 47 5.422 1.395 -0.758 1.00 0.00 N ATOM 731 CA THR A 47 4.348 0.977 0.192 1.00 0.00 C ATOM 732 C THR A 47 3.097 0.579 -0.591 1.00 0.00 C ATOM 733 O THR A 47 2.691 1.265 -1.507 1.00 0.00 O ATOM 734 CB THR A 47 4.067 2.207 1.067 1.00 0.00 C ATOM 735 OG1 THR A 47 5.205 2.478 1.874 1.00 0.00 O ATOM 736 CG2 THR A 47 2.851 1.942 1.966 1.00 0.00 C ATOM 0 H THR A 47 5.125 2.038 -1.492 1.00 0.00 H new ATOM 0 HA THR A 47 4.643 0.119 0.797 1.00 0.00 H new ATOM 0 HB THR A 47 3.857 3.065 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.935 2.807 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.657 2.819 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.979 1.735 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.053 1.084 2.607 1.00 0.00 H new ATOM 744 N VAL A 48 2.489 -0.522 -0.237 1.00 0.00 N ATOM 745 CA VAL A 48 1.263 -0.964 -0.965 1.00 0.00 C ATOM 746 C VAL A 48 0.011 -0.689 -0.122 1.00 0.00 C ATOM 747 O VAL A 48 -0.244 -1.353 0.863 1.00 0.00 O ATOM 748 CB VAL A 48 1.452 -2.467 -1.180 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.239 -3.037 -1.916 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.711 -2.708 -2.016 1.00 0.00 C ATOM 0 H VAL A 48 2.787 -1.133 0.523 1.00 0.00 H new ATOM 0 HA VAL A 48 1.128 -0.432 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 48 1.555 -2.960 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.376 -4.108 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.660 -2.867 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.135 -2.544 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.846 -3.779 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.607 -2.213 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.578 -2.304 -1.493 1.00 0.00 H new ATOM 760 N SER A 49 -0.768 0.286 -0.509 1.00 0.00 N ATOM 761 CA SER A 49 -2.007 0.620 0.258 1.00 0.00 C ATOM 762 C SER A 49 -3.214 -0.126 -0.317 1.00 0.00 C ATOM 763 O SER A 49 -3.657 0.158 -1.411 1.00 0.00 O ATOM 764 CB SER A 49 -2.184 2.124 0.065 1.00 0.00 C ATOM 765 OG SER A 49 -1.389 2.818 1.018 1.00 0.00 O ATOM 0 H SER A 49 -0.599 0.870 -1.328 1.00 0.00 H new ATOM 0 HA SER A 49 -1.929 0.336 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.892 2.409 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.233 2.396 0.182 1.00 0.00 H new ATOM 0 HG SER A 49 -0.561 3.124 0.593 1.00 0.00 H new ATOM 771 N VAL A 50 -3.759 -1.067 0.409 1.00 0.00 N ATOM 772 CA VAL A 50 -4.946 -1.806 -0.120 1.00 0.00 C ATOM 773 C VAL A 50 -6.103 -1.741 0.883 1.00 0.00 C ATOM 774 O VAL A 50 -5.922 -1.984 2.061 1.00 0.00 O ATOM 775 CB VAL A 50 -4.476 -3.256 -0.319 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.186 -3.275 -1.143 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.213 -3.912 1.040 1.00 0.00 C ATOM 0 H VAL A 50 -3.439 -1.354 1.334 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.312 -1.375 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.255 -3.808 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.857 -4.305 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.369 -2.819 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.412 -2.714 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.880 -4.939 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.441 -3.354 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.130 -3.910 1.629 1.00 0.00 H new ATOM 787 N PHE A 51 -7.291 -1.408 0.437 1.00 0.00 N ATOM 788 CA PHE A 51 -8.434 -1.335 1.395 1.00 0.00 C ATOM 789 C PHE A 51 -9.641 -2.110 0.855 1.00 0.00 C ATOM 790 O PHE A 51 -9.645 -2.553 -0.273 1.00 0.00 O ATOM 791 CB PHE A 51 -8.746 0.164 1.509 1.00 0.00 C ATOM 792 CG PHE A 51 -10.131 0.451 0.975 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.364 0.405 -0.401 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.178 0.758 1.853 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.638 0.664 -0.903 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.456 1.017 1.350 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.687 0.970 -0.029 1.00 0.00 C ATOM 0 H PHE A 51 -7.515 -1.187 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.197 -1.779 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.677 0.479 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.007 0.740 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.556 0.168 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.998 0.795 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.816 0.628 -1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.265 1.253 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.674 1.170 -0.419 1.00 0.00 H new ATOM 807 N ALA A 52 -10.677 -2.250 1.648 1.00 0.00 N ATOM 808 CA ALA A 52 -11.899 -2.966 1.169 1.00 0.00 C ATOM 809 C ALA A 52 -13.054 -2.815 2.162 1.00 0.00 C ATOM 810 O ALA A 52 -12.866 -2.442 3.298 1.00 0.00 O ATOM 811 CB ALA A 52 -11.509 -4.437 1.044 1.00 0.00 C ATOM 0 H ALA A 52 -10.728 -1.899 2.605 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.239 -2.553 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.367 -5.013 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.691 -4.537 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.190 -4.813 2.016 1.00 0.00 H new ATOM 817 N LYS A 53 -14.251 -3.105 1.730 1.00 0.00 N ATOM 818 CA LYS A 53 -15.434 -2.979 2.633 1.00 0.00 C ATOM 819 C LYS A 53 -16.072 -4.355 2.880 1.00 0.00 C ATOM 820 O LYS A 53 -17.243 -4.554 2.613 1.00 0.00 O ATOM 821 CB LYS A 53 -16.402 -2.088 1.857 1.00 0.00 C ATOM 822 CG LYS A 53 -15.985 -0.625 2.004 1.00 0.00 C ATOM 823 CD LYS A 53 -17.229 0.264 1.953 1.00 0.00 C ATOM 824 CE LYS A 53 -16.807 1.734 1.854 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.469 2.247 0.621 1.00 0.00 N ATOM 0 H LYS A 53 -14.463 -3.426 0.785 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.171 -2.572 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.408 -2.371 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.417 -2.226 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.458 -0.478 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.295 -0.350 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.846 -0.006 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.836 0.109 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.123 2.295 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.723 1.829 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.961 3.087 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.454 1.510 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.454 2.502 0.836 1.00 0.00 H new ATOM 839 N SER A 54 -15.326 -5.312 3.380 1.00 0.00 N ATOM 840 CA SER A 54 -15.930 -6.661 3.620 1.00 0.00 C ATOM 841 C SER A 54 -15.040 -7.534 4.518 1.00 0.00 C ATOM 842 O SER A 54 -14.496 -8.530 4.083 1.00 0.00 O ATOM 843 CB SER A 54 -16.057 -7.282 2.230 1.00 0.00 C ATOM 844 OG SER A 54 -17.347 -7.000 1.704 1.00 0.00 O ATOM 0 H SER A 54 -14.341 -5.220 3.629 1.00 0.00 H new ATOM 0 HA SER A 54 -16.887 -6.583 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.287 -6.883 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.902 -8.360 2.285 1.00 0.00 H new ATOM 0 HG SER A 54 -17.665 -6.143 2.058 1.00 0.00 H new ATOM 850 N THR A 55 -14.910 -7.183 5.772 1.00 0.00 N ATOM 851 CA THR A 55 -14.079 -8.001 6.713 1.00 0.00 C ATOM 852 C THR A 55 -14.167 -7.384 8.116 1.00 0.00 C ATOM 853 O THR A 55 -15.245 -7.061 8.577 1.00 0.00 O ATOM 854 CB THR A 55 -12.647 -7.952 6.162 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.798 -8.733 6.991 1.00 0.00 O ATOM 856 CG2 THR A 55 -12.145 -6.510 6.138 1.00 0.00 C ATOM 0 H THR A 55 -15.346 -6.360 6.189 1.00 0.00 H new ATOM 0 HA THR A 55 -14.417 -9.034 6.790 1.00 0.00 H new ATOM 0 HB THR A 55 -12.640 -8.349 5.147 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.883 -8.705 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.128 -6.485 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.794 -5.909 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.153 -6.105 7.150 1.00 0.00 H new ATOM 864 N GLY A 56 -13.059 -7.198 8.799 1.00 0.00 N ATOM 865 CA GLY A 56 -13.122 -6.576 10.159 1.00 0.00 C ATOM 866 C GLY A 56 -13.968 -5.305 10.066 1.00 0.00 C ATOM 867 O GLY A 56 -14.695 -4.953 10.974 1.00 0.00 O ATOM 0 H GLY A 56 -12.124 -7.448 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.559 -7.272 10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.119 -6.340 10.516 1.00 0.00 H new ATOM 871 N ASP A 57 -13.886 -4.635 8.950 1.00 0.00 N ATOM 872 CA ASP A 57 -14.683 -3.403 8.735 1.00 0.00 C ATOM 873 C ASP A 57 -15.543 -3.590 7.473 1.00 0.00 C ATOM 874 O ASP A 57 -15.106 -3.291 6.383 1.00 0.00 O ATOM 875 CB ASP A 57 -13.644 -2.312 8.520 1.00 0.00 C ATOM 876 CG ASP A 57 -14.112 -1.018 9.190 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.249 -0.635 8.964 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.326 -0.433 9.916 1.00 0.00 O ATOM 0 H ASP A 57 -13.288 -4.897 8.166 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.352 -3.165 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.685 -2.622 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.491 -2.147 7.454 1.00 0.00 H new ATOM 883 N PRO A 58 -16.730 -4.107 7.656 1.00 0.00 N ATOM 884 CA PRO A 58 -17.636 -4.368 6.509 1.00 0.00 C ATOM 885 C PRO A 58 -17.876 -3.122 5.654 1.00 0.00 C ATOM 886 O PRO A 58 -18.310 -3.218 4.522 1.00 0.00 O ATOM 887 CB PRO A 58 -18.926 -4.804 7.200 1.00 0.00 C ATOM 888 CG PRO A 58 -18.702 -4.806 8.723 1.00 0.00 C ATOM 889 CD PRO A 58 -17.240 -4.448 9.005 1.00 0.00 C ATOM 0 HA PRO A 58 -17.228 -5.102 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.740 -4.127 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.217 -5.798 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.366 -4.088 9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.938 -5.786 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.153 -3.610 9.696 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.695 -5.283 9.446 1.00 0.00 H new ATOM 897 N GLN A 59 -17.633 -1.960 6.183 1.00 0.00 N ATOM 898 CA GLN A 59 -17.892 -0.723 5.383 1.00 0.00 C ATOM 899 C GLN A 59 -16.610 0.061 5.073 1.00 0.00 C ATOM 900 O GLN A 59 -16.672 1.129 4.499 1.00 0.00 O ATOM 901 CB GLN A 59 -18.838 0.118 6.246 1.00 0.00 C ATOM 902 CG GLN A 59 -18.281 0.226 7.667 1.00 0.00 C ATOM 903 CD GLN A 59 -18.663 1.580 8.267 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.828 1.865 8.461 1.00 0.00 O ATOM 905 NE2 GLN A 59 -17.724 2.433 8.570 1.00 0.00 N ATOM 0 H GLN A 59 -17.270 -1.807 7.124 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.316 -0.976 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.953 1.112 5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.828 -0.337 6.267 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.675 -0.581 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.197 0.116 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.746 2.194 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -17.968 3.339 8.970 1.00 0.00 H new ATOM 914 N GLY A 60 -15.455 -0.437 5.425 1.00 0.00 N ATOM 915 CA GLY A 60 -14.213 0.323 5.111 1.00 0.00 C ATOM 916 C GLY A 60 -12.990 -0.325 5.761 1.00 0.00 C ATOM 917 O GLY A 60 -12.789 -0.239 6.955 1.00 0.00 O ATOM 0 H GLY A 60 -15.319 -1.324 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.074 0.367 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.313 1.350 5.462 1.00 0.00 H new ATOM 921 N VAL A 61 -12.163 -0.959 4.974 1.00 0.00 N ATOM 922 CA VAL A 61 -10.939 -1.611 5.530 1.00 0.00 C ATOM 923 C VAL A 61 -9.715 -1.135 4.780 1.00 0.00 C ATOM 924 O VAL A 61 -9.773 -0.875 3.605 1.00 0.00 O ATOM 925 CB VAL A 61 -11.110 -3.109 5.294 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.988 -3.863 6.008 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.465 -3.571 5.817 1.00 0.00 C ATOM 0 H VAL A 61 -12.282 -1.055 3.965 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.813 -1.373 6.586 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.062 -3.314 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.106 -4.934 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.024 -3.539 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.032 -3.654 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.576 -4.641 5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.531 -3.368 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.258 -3.035 5.296 1.00 0.00 H new ATOM 937 N ILE A 62 -8.617 -1.005 5.459 1.00 0.00 N ATOM 938 CA ILE A 62 -7.373 -0.522 4.788 1.00 0.00 C ATOM 939 C ILE A 62 -6.127 -1.176 5.393 1.00 0.00 C ATOM 940 O ILE A 62 -6.135 -1.650 6.512 1.00 0.00 O ATOM 941 CB ILE A 62 -7.345 0.990 5.034 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.748 1.462 5.451 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.901 1.697 3.747 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.792 2.978 5.584 1.00 0.00 C ATOM 0 H ILE A 62 -8.521 -1.211 6.453 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.372 -0.772 3.727 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.642 1.230 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.481 1.136 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.025 1.001 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.878 2.774 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.906 1.352 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.603 1.468 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.794 3.288 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.075 3.298 6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.538 3.435 4.627 1.00 0.00 H new ATOM 956 N ARG A 63 -5.052 -1.191 4.649 1.00 0.00 N ATOM 957 CA ARG A 63 -3.785 -1.795 5.153 1.00 0.00 C ATOM 958 C ARG A 63 -2.642 -1.453 4.192 1.00 0.00 C ATOM 959 O ARG A 63 -2.616 -1.906 3.063 1.00 0.00 O ATOM 960 CB ARG A 63 -4.044 -3.303 5.173 1.00 0.00 C ATOM 961 CG ARG A 63 -3.498 -3.900 6.471 1.00 0.00 C ATOM 962 CD ARG A 63 -3.828 -5.394 6.527 1.00 0.00 C ATOM 963 NE ARG A 63 -5.062 -5.489 7.358 1.00 0.00 N ATOM 964 CZ ARG A 63 -5.595 -6.655 7.601 1.00 0.00 C ATOM 965 NH1 ARG A 63 -4.834 -7.668 7.911 1.00 0.00 N ATOM 966 NH2 ARG A 63 -6.890 -6.807 7.536 1.00 0.00 N ATOM 0 H ARG A 63 -4.998 -0.807 3.706 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.503 -1.425 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.113 -3.500 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.567 -3.776 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.419 -3.753 6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.933 -3.389 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.993 -5.799 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.010 -5.962 6.970 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.489 -4.644 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.822 -7.549 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.251 -8.579 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.485 -6.014 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.307 -7.718 7.726 1.00 0.00 H new ATOM 980 N HIS A 64 -1.705 -0.644 4.618 1.00 0.00 N ATOM 981 CA HIS A 64 -0.580 -0.269 3.707 1.00 0.00 C ATOM 982 C HIS A 64 0.635 -1.158 3.950 1.00 0.00 C ATOM 983 O HIS A 64 1.360 -0.988 4.911 1.00 0.00 O ATOM 984 CB HIS A 64 -0.223 1.189 4.026 1.00 0.00 C ATOM 985 CG HIS A 64 -1.459 1.955 4.404 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.247 2.597 3.464 1.00 0.00 N ATOM 987 CD2 HIS A 64 -2.058 2.185 5.618 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.268 3.176 4.120 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.199 2.956 5.437 1.00 0.00 N ATOM 0 H HIS A 64 -1.669 -0.230 5.549 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.876 -0.393 2.665 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.499 1.224 4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.251 1.653 3.161 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.083 2.626 2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.697 1.822 6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.049 3.749 3.641 1.00 0.00 H new ATOM 997 N TYR A 65 0.880 -2.085 3.071 1.00 0.00 N ATOM 998 CA TYR A 65 2.068 -2.963 3.230 1.00 0.00 C ATOM 999 C TYR A 65 3.288 -2.208 2.732 1.00 0.00 C ATOM 1000 O TYR A 65 3.338 -1.787 1.596 1.00 0.00 O ATOM 1001 CB TYR A 65 1.821 -4.170 2.338 1.00 0.00 C ATOM 1002 CG TYR A 65 0.395 -4.657 2.493 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.210 -4.674 3.757 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.317 -5.097 1.371 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.523 -5.131 3.898 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.631 -5.552 1.513 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.235 -5.571 2.776 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.532 -6.022 2.915 1.00 0.00 O ATOM 0 H TYR A 65 0.308 -2.273 2.248 1.00 0.00 H new ATOM 0 HA TYR A 65 2.229 -3.262 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.011 -3.906 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.515 -4.970 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.339 -4.334 4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.148 -5.085 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.988 -5.145 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.181 -5.889 0.647 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.670 -6.803 2.340 1.00 0.00 H new ATOM 1018 N VAL A 66 4.266 -2.024 3.556 1.00 0.00 N ATOM 1019 CA VAL A 66 5.468 -1.277 3.095 1.00 0.00 C ATOM 1020 C VAL A 66 6.687 -2.185 3.076 1.00 0.00 C ATOM 1021 O VAL A 66 6.684 -3.262 3.636 1.00 0.00 O ATOM 1022 CB VAL A 66 5.678 -0.148 4.102 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.800 0.766 3.599 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.386 0.665 4.254 1.00 0.00 C ATOM 0 H VAL A 66 4.293 -2.352 4.521 1.00 0.00 H new ATOM 0 HA VAL A 66 5.329 -0.896 2.083 1.00 0.00 H new ATOM 0 HB VAL A 66 5.948 -0.570 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.957 1.575 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.720 0.190 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.523 1.184 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.544 1.468 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.109 1.091 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.586 0.014 4.607 1.00 0.00 H new ATOM 1034 N VAL A 67 7.735 -1.752 2.442 1.00 0.00 N ATOM 1035 CA VAL A 67 8.959 -2.585 2.394 1.00 0.00 C ATOM 1036 C VAL A 67 10.090 -1.907 3.160 1.00 0.00 C ATOM 1037 O VAL A 67 10.472 -0.790 2.870 1.00 0.00 O ATOM 1038 CB VAL A 67 9.313 -2.694 0.916 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.628 -3.465 0.779 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.196 -3.434 0.177 1.00 0.00 C ATOM 0 H VAL A 67 7.796 -0.858 1.955 1.00 0.00 H new ATOM 0 HA VAL A 67 8.805 -3.563 2.849 1.00 0.00 H new ATOM 0 HB VAL A 67 9.425 -1.699 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.892 -3.550 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.418 -2.934 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.512 -4.462 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.449 -3.512 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.081 -4.433 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.261 -2.885 0.287 1.00 0.00 H new ATOM 1050 N CYS A 68 10.641 -2.586 4.121 1.00 0.00 N ATOM 1051 CA CYS A 68 11.764 -2.002 4.895 1.00 0.00 C ATOM 1052 C CYS A 68 13.069 -2.295 4.162 1.00 0.00 C ATOM 1053 O CYS A 68 13.185 -3.286 3.471 1.00 0.00 O ATOM 1054 CB CYS A 68 11.726 -2.704 6.252 1.00 0.00 C ATOM 1055 SG CYS A 68 12.981 -1.982 7.341 1.00 0.00 S ATOM 0 H CYS A 68 10.360 -3.525 4.405 1.00 0.00 H new ATOM 0 HA CYS A 68 11.688 -0.921 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.738 -2.600 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.909 -3.771 6.127 1.00 0.00 H new ATOM 0 HG CYS A 68 13.806 -2.910 7.727 1.00 0.00 H new ATOM 1061 N SER A 69 14.043 -1.439 4.285 1.00 0.00 N ATOM 1062 CA SER A 69 15.327 -1.677 3.567 1.00 0.00 C ATOM 1063 C SER A 69 16.523 -1.583 4.513 1.00 0.00 C ATOM 1064 O SER A 69 16.650 -0.655 5.287 1.00 0.00 O ATOM 1065 CB SER A 69 15.397 -0.572 2.515 1.00 0.00 C ATOM 1066 OG SER A 69 14.889 0.636 3.066 1.00 0.00 O ATOM 0 H SER A 69 14.008 -0.589 4.848 1.00 0.00 H new ATOM 0 HA SER A 69 15.362 -2.676 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.427 -0.431 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.819 -0.855 1.635 1.00 0.00 H new ATOM 0 HG SER A 69 15.631 1.248 3.254 1.00 0.00 H new ATOM 1072 N THR A 70 17.412 -2.534 4.431 1.00 0.00 N ATOM 1073 CA THR A 70 18.627 -2.511 5.296 1.00 0.00 C ATOM 1074 C THR A 70 19.805 -1.962 4.476 1.00 0.00 C ATOM 1075 O THR A 70 19.772 -2.007 3.262 1.00 0.00 O ATOM 1076 CB THR A 70 18.848 -3.974 5.704 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.913 -4.054 6.639 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.187 -4.815 4.477 1.00 0.00 C ATOM 0 H THR A 70 17.349 -3.331 3.798 1.00 0.00 H new ATOM 0 HA THR A 70 18.527 -1.876 6.176 1.00 0.00 H new ATOM 0 HB THR A 70 17.933 -4.356 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.051 -4.989 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.342 -5.851 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.366 -4.763 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.096 -4.432 4.013 1.00 0.00 H new ATOM 1086 N PRO A 71 20.802 -1.431 5.147 1.00 0.00 N ATOM 1087 CA PRO A 71 21.968 -0.845 4.438 1.00 0.00 C ATOM 1088 C PRO A 71 22.762 -1.877 3.626 1.00 0.00 C ATOM 1089 O PRO A 71 23.752 -1.542 3.006 1.00 0.00 O ATOM 1090 CB PRO A 71 22.809 -0.273 5.583 1.00 0.00 C ATOM 1091 CG PRO A 71 22.088 -0.556 6.915 1.00 0.00 C ATOM 1092 CD PRO A 71 20.822 -1.374 6.629 1.00 0.00 C ATOM 0 HA PRO A 71 21.668 -0.105 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.800 -0.726 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.949 0.800 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.745 -1.103 7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.829 0.380 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.873 -2.368 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 71 19.929 -0.892 7.028 1.00 0.00 H new ATOM 1100 N GLN A 72 22.341 -3.111 3.594 1.00 0.00 N ATOM 1101 CA GLN A 72 23.087 -4.114 2.784 1.00 0.00 C ATOM 1102 C GLN A 72 22.438 -4.219 1.396 1.00 0.00 C ATOM 1103 O GLN A 72 22.539 -5.223 0.723 1.00 0.00 O ATOM 1104 CB GLN A 72 22.959 -5.423 3.572 1.00 0.00 C ATOM 1105 CG GLN A 72 23.633 -6.576 2.817 1.00 0.00 C ATOM 1106 CD GLN A 72 25.074 -6.196 2.464 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.717 -5.462 3.187 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.611 -6.670 1.372 1.00 0.00 N ATOM 0 H GLN A 72 21.522 -3.466 4.088 1.00 0.00 H new ATOM 0 HA GLN A 72 24.134 -3.855 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.416 -5.308 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.906 -5.654 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.625 -7.477 3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.075 -6.803 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.071 -7.287 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.570 -6.424 1.127 1.00 0.00 H new ATOM 1117 N SER A 73 21.764 -3.175 0.966 1.00 0.00 N ATOM 1118 CA SER A 73 21.091 -3.202 -0.368 1.00 0.00 C ATOM 1119 C SER A 73 20.035 -4.306 -0.373 1.00 0.00 C ATOM 1120 O SER A 73 19.958 -5.107 -1.285 1.00 0.00 O ATOM 1121 CB SER A 73 22.198 -3.501 -1.383 1.00 0.00 C ATOM 1122 OG SER A 73 22.043 -2.650 -2.511 1.00 0.00 O ATOM 0 H SER A 73 21.653 -2.305 1.486 1.00 0.00 H new ATOM 0 HA SER A 73 20.589 -2.264 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.176 -3.346 -0.928 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.152 -4.545 -1.692 1.00 0.00 H new ATOM 0 HG SER A 73 22.751 -2.838 -3.162 1.00 0.00 H new ATOM 1128 N GLN A 74 19.237 -4.366 0.660 1.00 0.00 N ATOM 1129 CA GLN A 74 18.197 -5.433 0.747 1.00 0.00 C ATOM 1130 C GLN A 74 16.854 -4.835 1.180 1.00 0.00 C ATOM 1131 O GLN A 74 16.776 -3.683 1.561 1.00 0.00 O ATOM 1132 CB GLN A 74 18.721 -6.412 1.801 1.00 0.00 C ATOM 1133 CG GLN A 74 20.244 -6.296 1.908 1.00 0.00 C ATOM 1134 CD GLN A 74 20.814 -7.557 2.564 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.842 -7.649 3.866 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 21.239 -8.468 1.883 1.00 0.00 N flip ATOM 0 H GLN A 74 19.261 -3.720 1.449 1.00 0.00 H new ATOM 0 HA GLN A 74 18.026 -5.922 -0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.263 -6.200 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.443 -7.431 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.678 -6.162 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.511 -5.417 2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 74 21.218 -8.397 0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.617 -9.304 2.328 1.00 0.00 H new ATOM 1145 N TYR A 75 15.793 -5.599 1.102 1.00 0.00 N ATOM 1146 CA TYR A 75 14.447 -5.051 1.488 1.00 0.00 C ATOM 1147 C TYR A 75 13.546 -6.136 2.089 1.00 0.00 C ATOM 1148 O TYR A 75 13.754 -7.308 1.881 1.00 0.00 O ATOM 1149 CB TYR A 75 13.825 -4.550 0.183 1.00 0.00 C ATOM 1150 CG TYR A 75 14.791 -3.647 -0.538 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.806 -4.201 -1.321 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.677 -2.261 -0.416 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.711 -3.370 -1.983 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.579 -1.427 -1.080 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.599 -1.980 -1.865 1.00 0.00 C ATOM 1156 OH TYR A 75 17.493 -1.157 -2.518 1.00 0.00 O ATOM 0 H TYR A 75 15.795 -6.570 0.791 1.00 0.00 H new ATOM 0 HA TYR A 75 14.551 -4.270 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.563 -5.396 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.901 -4.012 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.891 -5.274 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.892 -1.834 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.497 -3.799 -2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.490 -0.355 -0.988 1.00 0.00 H new ATOM 0 HH TYR A 75 17.273 -0.221 -2.331 1.00 0.00 H new ATOM 1166 N TYR A 76 12.526 -5.736 2.813 1.00 0.00 N ATOM 1167 CA TYR A 76 11.580 -6.727 3.425 1.00 0.00 C ATOM 1168 C TYR A 76 10.491 -6.007 4.231 1.00 0.00 C ATOM 1169 O TYR A 76 10.669 -4.890 4.665 1.00 0.00 O ATOM 1170 CB TYR A 76 12.428 -7.588 4.381 1.00 0.00 C ATOM 1171 CG TYR A 76 13.098 -6.710 5.418 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.384 -6.298 6.547 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.436 -6.326 5.262 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.999 -5.506 7.520 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.052 -5.530 6.234 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.336 -5.121 7.364 1.00 0.00 C ATOM 1177 OH TYR A 76 14.945 -4.338 8.322 1.00 0.00 O ATOM 0 H TYR A 76 12.306 -4.759 3.008 1.00 0.00 H new ATOM 0 HA TYR A 76 11.089 -7.322 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.797 -8.328 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.182 -8.137 3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.352 -6.593 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.992 -6.644 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.444 -5.191 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.082 -5.231 6.112 1.00 0.00 H new ATOM 0 HH TYR A 76 15.873 -4.163 8.060 1.00 0.00 H new ATOM 1187 N LEU A 77 9.397 -6.670 4.493 1.00 0.00 N ATOM 1188 CA LEU A 77 8.328 -6.053 5.336 1.00 0.00 C ATOM 1189 C LEU A 77 8.521 -6.609 6.749 1.00 0.00 C ATOM 1190 O LEU A 77 7.897 -6.196 7.706 1.00 0.00 O ATOM 1191 CB LEU A 77 6.998 -6.521 4.734 1.00 0.00 C ATOM 1192 CG LEU A 77 5.891 -5.518 5.084 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.970 -5.322 3.876 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.070 -6.048 6.261 1.00 0.00 C ATOM 0 H LEU A 77 9.196 -7.613 4.160 1.00 0.00 H new ATOM 0 HA LEU A 77 8.354 -4.964 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.090 -6.613 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.742 -7.509 5.117 1.00 0.00 H new ATOM 0 HG LEU A 77 6.346 -4.565 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.185 -4.609 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.549 -4.941 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.519 -6.276 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.284 -5.334 6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.620 -7.003 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.720 -6.185 7.125 1.00 0.00 H new ATOM 1206 N ALA A 78 9.442 -7.529 6.849 1.00 0.00 N ATOM 1207 CA ALA A 78 9.816 -8.159 8.137 1.00 0.00 C ATOM 1208 C ALA A 78 11.233 -8.701 7.952 1.00 0.00 C ATOM 1209 O ALA A 78 11.490 -9.466 7.043 1.00 0.00 O ATOM 1210 CB ALA A 78 8.810 -9.291 8.351 1.00 0.00 C ATOM 0 H ALA A 78 9.970 -7.881 6.051 1.00 0.00 H new ATOM 0 HA ALA A 78 9.799 -7.485 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.030 -9.801 9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.802 -8.879 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.881 -10.001 7.527 1.00 0.00 H new ATOM 1216 N GLU A 79 12.164 -8.291 8.771 1.00 0.00 N ATOM 1217 CA GLU A 79 13.577 -8.764 8.603 1.00 0.00 C ATOM 1218 C GLU A 79 13.637 -10.284 8.442 1.00 0.00 C ATOM 1219 O GLU A 79 14.622 -10.826 7.982 1.00 0.00 O ATOM 1220 CB GLU A 79 14.298 -8.326 9.875 1.00 0.00 C ATOM 1221 CG GLU A 79 14.891 -6.935 9.662 1.00 0.00 C ATOM 1222 CD GLU A 79 15.865 -6.613 10.796 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.456 -6.691 11.943 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.005 -6.294 10.499 1.00 0.00 O ATOM 0 H GLU A 79 12.012 -7.650 9.549 1.00 0.00 H new ATOM 0 HA GLU A 79 14.036 -8.347 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.604 -8.314 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.086 -9.036 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.407 -6.892 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.095 -6.191 9.630 1.00 0.00 H new ATOM 1231 N LYS A 80 12.588 -10.969 8.808 1.00 0.00 N ATOM 1232 CA LYS A 80 12.563 -12.459 8.670 1.00 0.00 C ATOM 1233 C LYS A 80 13.148 -12.877 7.315 1.00 0.00 C ATOM 1234 O LYS A 80 13.862 -13.856 7.210 1.00 0.00 O ATOM 1235 CB LYS A 80 11.080 -12.832 8.740 1.00 0.00 C ATOM 1236 CG LYS A 80 10.811 -13.662 10.001 1.00 0.00 C ATOM 1237 CD LYS A 80 10.496 -15.106 9.607 1.00 0.00 C ATOM 1238 CE LYS A 80 10.570 -16.002 10.844 1.00 0.00 C ATOM 1239 NZ LYS A 80 11.923 -16.621 10.791 1.00 0.00 N ATOM 0 H LYS A 80 11.740 -10.560 9.200 1.00 0.00 H new ATOM 0 HA LYS A 80 13.153 -12.955 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.469 -11.929 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.796 -13.399 7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.680 -13.635 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.976 -13.236 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.503 -15.164 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.203 -15.451 8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.436 -15.424 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.788 -16.761 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.049 -17.251 11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.019 -17.170 9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.647 -15.875 10.814 1.00 0.00 H new ATOM 1253 N HIS A 81 12.858 -12.130 6.283 1.00 0.00 N ATOM 1254 CA HIS A 81 13.398 -12.462 4.933 1.00 0.00 C ATOM 1255 C HIS A 81 13.460 -11.187 4.094 1.00 0.00 C ATOM 1256 O HIS A 81 12.580 -10.352 4.164 1.00 0.00 O ATOM 1257 CB HIS A 81 12.405 -13.453 4.330 1.00 0.00 C ATOM 1258 CG HIS A 81 12.529 -14.779 5.029 1.00 0.00 C ATOM 1259 ND1 HIS A 81 13.711 -15.501 5.039 1.00 0.00 N ATOM 1260 CD2 HIS A 81 11.628 -15.524 5.748 1.00 0.00 C ATOM 1261 CE1 HIS A 81 13.493 -16.628 5.743 1.00 0.00 C ATOM 1262 NE2 HIS A 81 12.239 -16.691 6.198 1.00 0.00 N ATOM 0 H HIS A 81 12.267 -11.300 6.318 1.00 0.00 H new ATOM 0 HA HIS A 81 14.402 -12.884 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.389 -13.071 4.430 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.597 -13.573 3.264 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.601 -15.247 5.936 1.00 0.00 H new ATOM 0 HE1 HIS A 81 14.240 -17.388 5.918 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.819 -17.435 6.756 1.00 0.00 H new ATOM 1270 N LEU A 82 14.493 -11.015 3.317 1.00 0.00 N ATOM 1271 CA LEU A 82 14.592 -9.779 2.504 1.00 0.00 C ATOM 1272 C LEU A 82 15.308 -10.056 1.178 1.00 0.00 C ATOM 1273 O LEU A 82 16.193 -10.885 1.097 1.00 0.00 O ATOM 1274 CB LEU A 82 15.391 -8.806 3.383 1.00 0.00 C ATOM 1275 CG LEU A 82 16.827 -9.293 3.547 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.688 -8.149 4.086 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.878 -10.467 4.532 1.00 0.00 C ATOM 0 H LEU A 82 15.265 -11.673 3.212 1.00 0.00 H new ATOM 0 HA LEU A 82 13.616 -9.376 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.386 -7.813 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.917 -8.716 4.360 1.00 0.00 H new ATOM 0 HG LEU A 82 17.204 -9.622 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.716 -8.492 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.663 -7.314 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.300 -7.825 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.908 -10.806 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.497 -10.145 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 82 16.265 -11.285 4.155 1.00 0.00 H new ATOM 1289 N PHE A 83 14.928 -9.362 0.138 1.00 0.00 N ATOM 1290 CA PHE A 83 15.582 -9.574 -1.185 1.00 0.00 C ATOM 1291 C PHE A 83 16.333 -8.299 -1.596 1.00 0.00 C ATOM 1292 O PHE A 83 16.949 -7.659 -0.767 1.00 0.00 O ATOM 1293 CB PHE A 83 14.431 -9.912 -2.135 1.00 0.00 C ATOM 1294 CG PHE A 83 14.007 -11.343 -1.887 1.00 0.00 C ATOM 1295 CD1 PHE A 83 14.912 -12.387 -2.117 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.717 -11.625 -1.423 1.00 0.00 C ATOM 1297 CE1 PHE A 83 14.526 -13.712 -1.883 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.332 -12.950 -1.190 1.00 0.00 C ATOM 1299 CZ PHE A 83 13.236 -13.994 -1.420 1.00 0.00 C ATOM 0 H PHE A 83 14.192 -8.656 0.148 1.00 0.00 H new ATOM 0 HA PHE A 83 16.326 -10.371 -1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.593 -9.235 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.745 -9.784 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.908 -12.170 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.019 -10.820 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.224 -14.517 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.336 -13.168 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.938 -15.016 -1.240 1.00 0.00 H new ATOM 1309 N SER A 84 16.314 -7.922 -2.851 1.00 0.00 N ATOM 1310 CA SER A 84 17.062 -6.693 -3.257 1.00 0.00 C ATOM 1311 C SER A 84 16.127 -5.629 -3.854 1.00 0.00 C ATOM 1312 O SER A 84 16.580 -4.614 -4.345 1.00 0.00 O ATOM 1313 CB SER A 84 18.059 -7.173 -4.310 1.00 0.00 C ATOM 1314 OG SER A 84 17.376 -7.951 -5.284 1.00 0.00 O ATOM 0 H SER A 84 15.820 -8.404 -3.602 1.00 0.00 H new ATOM 0 HA SER A 84 17.546 -6.222 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.544 -6.320 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.844 -7.765 -3.840 1.00 0.00 H new ATOM 0 HG SER A 84 18.013 -8.259 -5.962 1.00 0.00 H new ATOM 1320 N THR A 85 14.832 -5.835 -3.812 1.00 0.00 N ATOM 1321 CA THR A 85 13.894 -4.807 -4.373 1.00 0.00 C ATOM 1322 C THR A 85 12.452 -5.100 -3.944 1.00 0.00 C ATOM 1323 O THR A 85 12.119 -6.211 -3.568 1.00 0.00 O ATOM 1324 CB THR A 85 14.005 -4.913 -5.900 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.340 -5.215 -6.278 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.584 -3.585 -6.531 1.00 0.00 C ATOM 0 H THR A 85 14.385 -6.663 -3.417 1.00 0.00 H new ATOM 0 HA THR A 85 14.150 -3.811 -4.013 1.00 0.00 H new ATOM 0 HB THR A 85 13.351 -5.712 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.949 -4.560 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.662 -3.657 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.553 -3.362 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.236 -2.789 -6.172 1.00 0.00 H new ATOM 1334 N ILE A 86 11.585 -4.117 -4.009 1.00 0.00 N ATOM 1335 CA ILE A 86 10.164 -4.351 -3.616 1.00 0.00 C ATOM 1336 C ILE A 86 9.479 -5.304 -4.616 1.00 0.00 C ATOM 1337 O ILE A 86 8.942 -6.315 -4.209 1.00 0.00 O ATOM 1338 CB ILE A 86 9.509 -2.964 -3.611 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.830 -2.263 -2.289 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.988 -3.101 -3.753 1.00 0.00 C ATOM 1341 CD1 ILE A 86 11.042 -1.350 -2.474 1.00 0.00 C ATOM 0 H ILE A 86 11.801 -3.169 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 86 10.077 -4.827 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 86 9.895 -2.381 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.971 -1.681 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.034 -3.002 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.532 -2.111 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.754 -3.604 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.596 -3.685 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.269 -0.852 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.901 -1.944 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.821 -0.602 -3.236 1.00 0.00 H new ATOM 1353 N PRO A 87 9.515 -4.977 -5.898 1.00 0.00 N ATOM 1354 CA PRO A 87 8.885 -5.858 -6.909 1.00 0.00 C ATOM 1355 C PRO A 87 9.459 -7.269 -6.793 1.00 0.00 C ATOM 1356 O PRO A 87 8.758 -8.250 -6.948 1.00 0.00 O ATOM 1357 CB PRO A 87 9.279 -5.196 -8.234 1.00 0.00 C ATOM 1358 CG PRO A 87 10.121 -3.945 -7.926 1.00 0.00 C ATOM 1359 CD PRO A 87 10.172 -3.747 -6.406 1.00 0.00 C ATOM 0 HA PRO A 87 7.805 -5.963 -6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.847 -5.892 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.388 -4.923 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.128 -4.060 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.685 -3.069 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.196 -3.655 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.642 -2.846 -6.096 1.00 0.00 H new ATOM 1367 N GLU A 88 10.727 -7.375 -6.490 1.00 0.00 N ATOM 1368 CA GLU A 88 11.341 -8.723 -6.328 1.00 0.00 C ATOM 1369 C GLU A 88 10.637 -9.446 -5.179 1.00 0.00 C ATOM 1370 O GLU A 88 10.047 -10.493 -5.361 1.00 0.00 O ATOM 1371 CB GLU A 88 12.808 -8.458 -5.986 1.00 0.00 C ATOM 1372 CG GLU A 88 13.638 -9.713 -6.268 1.00 0.00 C ATOM 1373 CD GLU A 88 14.269 -9.607 -7.658 1.00 0.00 C ATOM 1374 OE1 GLU A 88 14.703 -8.522 -8.009 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.304 -10.612 -8.348 1.00 0.00 O ATOM 0 H GLU A 88 11.361 -6.588 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 88 11.252 -9.345 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.184 -7.622 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.902 -8.176 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.415 -9.825 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.007 -10.600 -6.210 1.00 0.00 H new ATOM 1382 N LEU A 89 10.678 -8.870 -4.000 1.00 0.00 N ATOM 1383 CA LEU A 89 9.995 -9.494 -2.823 1.00 0.00 C ATOM 1384 C LEU A 89 8.580 -9.936 -3.207 1.00 0.00 C ATOM 1385 O LEU A 89 8.212 -11.084 -3.047 1.00 0.00 O ATOM 1386 CB LEU A 89 9.925 -8.377 -1.774 1.00 0.00 C ATOM 1387 CG LEU A 89 10.925 -8.648 -0.651 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.117 -7.374 0.174 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.388 -9.760 0.252 1.00 0.00 C ATOM 0 H LEU A 89 11.157 -7.991 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 89 10.523 -10.375 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.141 -7.416 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.916 -8.313 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 89 11.879 -8.955 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.830 -7.564 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.496 -6.579 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.162 -7.070 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.101 -9.954 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.435 -9.452 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.245 -10.668 -0.334 1.00 0.00 H new ATOM 1662 N TYR A 106 -8.146 -3.711 -6.761 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.680 -2.614 -7.624 1.00 0.00 C ATOM 1664 C TYR A 106 -7.704 -1.423 -7.683 1.00 0.00 C ATOM 1665 O TYR A 106 -7.334 -0.884 -6.659 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.997 -2.178 -6.976 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.537 -0.996 -7.746 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.922 -1.152 -9.082 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.619 0.257 -7.136 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.396 -0.052 -9.805 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.088 1.359 -7.860 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.477 1.205 -9.195 1.00 0.00 C ATOM 1673 OH TYR A 106 -11.939 2.291 -9.910 1.00 0.00 O ATOM 0 HA TYR A 106 -8.819 -2.959 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.715 -2.998 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.836 -1.909 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.853 -2.121 -9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.320 0.376 -6.105 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.700 -0.173 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.150 2.328 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.933 3.086 -9.337 1.00 0.00 H new ATOM 1683 N PRO A 107 -7.329 -1.035 -8.886 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.408 0.114 -9.065 1.00 0.00 C ATOM 1685 C PRO A 107 -7.079 1.432 -8.651 1.00 0.00 C ATOM 1686 O PRO A 107 -8.136 1.783 -9.136 1.00 0.00 O ATOM 1687 CB PRO A 107 -6.139 0.099 -10.574 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.931 -1.059 -11.208 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.784 -1.724 -10.120 1.00 0.00 C ATOM 0 HA PRO A 107 -5.506 0.039 -8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.436 1.048 -11.020 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.073 -0.023 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.566 -0.687 -12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.249 -1.785 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.850 -1.579 -10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.612 -2.799 -10.071 1.00 0.00 H new