USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=26 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 68 CYS SG : rot -126:sc= -0.0349 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.242 USER MOD Set 3.1: A 17 MET CE :methyl -121:sc= -4.01 (180deg=-10.9!) USER MOD Set 3.2: A 49 SER OG : rot -169:sc= 1.01 USER MOD Set 3.3: A 64 HIS : no HE2:sc= -4.57! C(o=-7.6!,f=-25!) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 GLN : amide:sc= -0.365 K(o=-2.5,f=-1.7) USER MOD Set 4.3: A 24 GLN : amide:sc= -2.12! C(o=-2.5!,f=-1.6!) USER MOD Set 5.1: A 13 TYR OH : rot 180:sc= 0.331 USER MOD Set 5.2: A 15 LYS NZ :NH3+ -110:sc= -0.52 (180deg=-2.91!) USER MOD Single : A 14 SER OG : rot -170:sc= -0.519 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= -0.379 (180deg=-0.772) USER MOD Single : A 28 GLN : amide:sc= -0.645 K(o=-0.64,f=-4.7!) USER MOD Single : A 40 SER OG : rot 90:sc= 0.201 USER MOD Single : A 41 SER OG : rot 180:sc= -0.228 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0.4 (180deg=0.099) USER MOD Single : A 54 SER OG : rot -65:sc= 0.481 USER MOD Single : A 55 THR OG1 : rot -137:sc= 0.283 USER MOD Single : A 59 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.8!) USER MOD Single : A 65 TYR OH : rot 15:sc= -0.982 USER MOD Single : A 69 SER OG : rot 104:sc= -5.31! USER MOD Single : A 70 THR OG1 : rot 80:sc= -2.92! USER MOD Single : A 72 GLN : amide:sc= -0.79 K(o=-0.79,f=-2.5!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.67! C(o=-5.7!,f=-9.6!) 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= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -60:sc= -0.16! USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.336 3.320 -11.988 1.00 0.00 N ATOM 151 CA GLU A 11 -3.924 4.137 -10.885 1.00 0.00 C ATOM 152 C GLU A 11 -3.216 3.837 -9.568 1.00 0.00 C ATOM 153 O GLU A 11 -2.827 4.731 -8.845 1.00 0.00 O ATOM 154 CB GLU A 11 -5.388 3.701 -10.782 1.00 0.00 C ATOM 155 CG GLU A 11 -6.244 4.884 -10.336 1.00 0.00 C ATOM 156 CD GLU A 11 -6.451 5.839 -11.514 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.546 6.604 -11.798 1.00 0.00 O ATOM 158 OE2 GLU A 11 -7.514 5.787 -12.112 1.00 0.00 O ATOM 0 HA GLU A 11 -3.822 5.204 -11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.736 3.330 -11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.485 2.881 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.207 4.531 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.759 5.407 -9.512 1.00 0.00 H new ATOM 165 N TRP A 12 -3.068 2.577 -9.248 1.00 0.00 N ATOM 166 CA TRP A 12 -2.418 2.183 -7.963 1.00 0.00 C ATOM 167 C TRP A 12 -1.117 2.948 -7.726 1.00 0.00 C ATOM 168 O TRP A 12 -0.677 3.089 -6.605 1.00 0.00 O ATOM 169 CB TRP A 12 -2.139 0.684 -8.084 1.00 0.00 C ATOM 170 CG TRP A 12 -1.287 0.416 -9.284 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.753 0.133 -10.522 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.166 0.396 -9.378 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.678 -0.060 -11.371 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.526 0.092 -10.712 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.196 0.611 -8.445 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.862 0.003 -11.107 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.541 0.522 -8.838 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.873 0.219 -10.167 1.00 0.00 C ATOM 0 H TRP A 12 -3.373 1.796 -9.829 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.064 2.415 -7.116 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.638 0.326 -7.185 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.078 0.137 -8.165 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.794 0.068 -10.802 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.764 -0.287 -12.362 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.951 0.846 -7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.112 -0.231 -12.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.324 0.688 -8.113 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.909 0.153 -10.463 1.00 0.00 H new ATOM 189 N TYR A 13 -0.494 3.442 -8.757 1.00 0.00 N ATOM 190 CA TYR A 13 0.781 4.188 -8.543 1.00 0.00 C ATOM 191 C TYR A 13 0.495 5.643 -8.164 1.00 0.00 C ATOM 192 O TYR A 13 -0.376 6.282 -8.723 1.00 0.00 O ATOM 193 CB TYR A 13 1.535 4.122 -9.871 1.00 0.00 C ATOM 194 CG TYR A 13 2.981 4.477 -9.621 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.317 5.767 -9.195 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.980 3.514 -9.793 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.652 6.094 -8.942 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.319 3.843 -9.543 1.00 0.00 C ATOM 199 CZ TYR A 13 5.654 5.132 -9.117 1.00 0.00 C ATOM 200 OH TYR A 13 6.971 5.456 -8.867 1.00 0.00 O ATOM 0 H TYR A 13 -0.804 3.365 -9.726 1.00 0.00 H new ATOM 0 HA TYR A 13 1.363 3.754 -7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.459 3.123 -10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.095 4.812 -10.591 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.545 6.510 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.720 2.518 -10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.911 7.089 -8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.092 3.101 -9.679 1.00 0.00 H new ATOM 0 HH TYR A 13 7.538 4.675 -9.036 1.00 0.00 H new ATOM 210 N SER A 14 1.228 6.172 -7.217 1.00 0.00 N ATOM 211 CA SER A 14 1.008 7.587 -6.798 1.00 0.00 C ATOM 212 C SER A 14 2.313 8.204 -6.284 1.00 0.00 C ATOM 213 O SER A 14 2.996 7.639 -5.451 1.00 0.00 O ATOM 214 CB SER A 14 -0.021 7.517 -5.677 1.00 0.00 C ATOM 215 OG SER A 14 -1.042 6.594 -6.031 1.00 0.00 O ATOM 0 H SER A 14 1.970 5.683 -6.716 1.00 0.00 H new ATOM 0 HA SER A 14 0.669 8.208 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.458 7.208 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.452 8.503 -5.501 1.00 0.00 H new ATOM 0 HG SER A 14 -1.781 6.663 -5.391 1.00 0.00 H new ATOM 221 N LYS A 15 2.660 9.357 -6.783 1.00 0.00 N ATOM 222 CA LYS A 15 3.921 10.028 -6.348 1.00 0.00 C ATOM 223 C LYS A 15 3.812 10.546 -4.912 1.00 0.00 C ATOM 224 O LYS A 15 3.186 11.554 -4.648 1.00 0.00 O ATOM 225 CB LYS A 15 4.093 11.204 -7.316 1.00 0.00 C ATOM 226 CG LYS A 15 5.174 10.874 -8.343 1.00 0.00 C ATOM 227 CD LYS A 15 4.753 9.644 -9.148 1.00 0.00 C ATOM 228 CE LYS A 15 6.000 8.940 -9.684 1.00 0.00 C ATOM 229 NZ LYS A 15 6.749 8.510 -8.468 1.00 0.00 N ATOM 0 H LYS A 15 2.120 9.870 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 15 4.765 9.339 -6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.150 11.412 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.365 12.104 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.329 11.723 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.123 10.686 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.179 8.963 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.105 9.939 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.735 8.086 -10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.599 9.611 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.616 9.077 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.153 8.648 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.001 7.505 -8.553 1.00 0.00 H new ATOM 243 N HIS A 16 4.442 9.870 -3.991 1.00 0.00 N ATOM 244 CA HIS A 16 4.419 10.313 -2.564 1.00 0.00 C ATOM 245 C HIS A 16 2.984 10.464 -2.060 1.00 0.00 C ATOM 246 O HIS A 16 2.611 11.485 -1.514 1.00 0.00 O ATOM 247 CB HIS A 16 5.143 11.660 -2.549 1.00 0.00 C ATOM 248 CG HIS A 16 6.587 11.455 -2.917 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.229 12.244 -3.857 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.525 10.555 -2.478 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.498 11.807 -3.955 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.731 10.778 -3.135 1.00 0.00 N ATOM 0 H HIS A 16 4.978 9.020 -4.166 1.00 0.00 H new ATOM 0 HA HIS A 16 4.898 9.586 -1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.671 12.347 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.069 12.114 -1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.353 9.790 -1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.237 12.235 -4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.605 10.266 -3.016 1.00 0.00 H new ATOM 260 N MET A 17 2.185 9.450 -2.224 1.00 0.00 N ATOM 261 CA MET A 17 0.777 9.525 -1.737 1.00 0.00 C ATOM 262 C MET A 17 0.746 9.263 -0.226 1.00 0.00 C ATOM 263 O MET A 17 1.306 8.300 0.259 1.00 0.00 O ATOM 264 CB MET A 17 0.032 8.428 -2.501 1.00 0.00 C ATOM 265 CG MET A 17 -1.397 8.296 -1.964 1.00 0.00 C ATOM 266 SD MET A 17 -1.443 7.035 -0.666 1.00 0.00 S ATOM 267 CE MET A 17 -0.936 5.632 -1.689 1.00 0.00 C ATOM 0 H MET A 17 2.443 8.572 -2.674 1.00 0.00 H new ATOM 0 HA MET A 17 0.322 10.502 -1.903 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.009 8.665 -3.565 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.558 7.479 -2.397 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.737 9.253 -1.568 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.077 8.026 -2.772 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.710 4.865 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.788 5.965 -2.716 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.004 5.219 -1.304 1.00 0.00 H new ATOM 277 N THR A 18 0.111 10.127 0.520 1.00 0.00 N ATOM 278 CA THR A 18 0.057 9.950 2.002 1.00 0.00 C ATOM 279 C THR A 18 -0.786 8.732 2.389 1.00 0.00 C ATOM 280 O THR A 18 -1.838 8.485 1.832 1.00 0.00 O ATOM 281 CB THR A 18 -0.588 11.230 2.531 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.011 12.353 1.880 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.356 11.335 4.039 1.00 0.00 C ATOM 0 H THR A 18 -0.375 10.951 0.166 1.00 0.00 H new ATOM 0 HA THR A 18 1.050 9.780 2.419 1.00 0.00 H new ATOM 0 HB THR A 18 -1.660 11.207 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.425 13.175 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.817 12.248 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.801 10.473 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.715 11.358 4.242 1.00 0.00 H new ATOM 291 N ARG A 19 -0.332 7.981 3.358 1.00 0.00 N ATOM 292 CA ARG A 19 -1.096 6.781 3.818 1.00 0.00 C ATOM 293 C ARG A 19 -2.543 7.168 4.131 1.00 0.00 C ATOM 294 O ARG A 19 -3.481 6.440 3.859 1.00 0.00 O ATOM 295 CB ARG A 19 -0.386 6.341 5.105 1.00 0.00 C ATOM 296 CG ARG A 19 -0.587 7.404 6.199 1.00 0.00 C ATOM 297 CD ARG A 19 0.325 7.097 7.389 1.00 0.00 C ATOM 298 NE ARG A 19 -0.556 6.431 8.388 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.600 6.869 9.616 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.497 7.235 10.220 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.744 6.941 10.243 1.00 0.00 N ATOM 0 H ARG A 19 0.543 8.148 3.855 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.125 5.994 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.781 5.382 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.678 6.199 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.363 8.395 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.628 7.417 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.151 6.448 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.764 8.008 7.795 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.126 5.631 8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.391 7.179 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.461 7.577 11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.602 6.655 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.779 7.283 11.203 1.00 0.00 H new ATOM 315 N SER A 20 -2.711 8.317 4.712 1.00 0.00 N ATOM 316 CA SER A 20 -4.067 8.790 5.077 1.00 0.00 C ATOM 317 C SER A 20 -4.844 9.138 3.809 1.00 0.00 C ATOM 318 O SER A 20 -6.036 8.917 3.723 1.00 0.00 O ATOM 319 CB SER A 20 -3.803 10.014 5.956 1.00 0.00 C ATOM 320 OG SER A 20 -4.584 11.115 5.506 1.00 0.00 O ATOM 0 H SER A 20 -1.954 8.957 4.953 1.00 0.00 H new ATOM 0 HA SER A 20 -4.672 8.050 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.046 9.786 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.744 10.272 5.926 1.00 0.00 H new ATOM 0 HG SER A 20 -4.410 11.894 6.075 1.00 0.00 H new ATOM 326 N GLN A 21 -4.174 9.653 2.812 1.00 0.00 N ATOM 327 CA GLN A 21 -4.875 9.979 1.543 1.00 0.00 C ATOM 328 C GLN A 21 -5.386 8.688 0.915 1.00 0.00 C ATOM 329 O GLN A 21 -6.500 8.621 0.440 1.00 0.00 O ATOM 330 CB GLN A 21 -3.824 10.645 0.655 1.00 0.00 C ATOM 331 CG GLN A 21 -3.620 12.090 1.111 1.00 0.00 C ATOM 332 CD GLN A 21 -4.776 12.955 0.607 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.055 12.988 -0.575 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.466 13.663 1.460 1.00 0.00 N ATOM 0 H GLN A 21 -3.175 9.860 2.824 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.733 10.636 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.883 10.097 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.144 10.622 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.567 12.135 2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.673 12.472 0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.232 13.636 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.239 14.243 1.134 1.00 0.00 H new ATOM 343 N ALA A 22 -4.588 7.649 0.933 1.00 0.00 N ATOM 344 CA ALA A 22 -5.046 6.354 0.360 1.00 0.00 C ATOM 345 C ALA A 22 -6.250 5.862 1.151 1.00 0.00 C ATOM 346 O ALA A 22 -7.252 5.468 0.593 1.00 0.00 O ATOM 347 CB ALA A 22 -3.867 5.389 0.520 1.00 0.00 C ATOM 0 H ALA A 22 -3.644 7.645 1.319 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.343 6.440 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.138 4.413 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.003 5.777 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.620 5.289 1.577 1.00 0.00 H new ATOM 353 N GLU A 23 -6.160 5.894 2.452 1.00 0.00 N ATOM 354 CA GLU A 23 -7.303 5.438 3.292 1.00 0.00 C ATOM 355 C GLU A 23 -8.572 6.209 2.937 1.00 0.00 C ATOM 356 O GLU A 23 -9.612 5.626 2.696 1.00 0.00 O ATOM 357 CB GLU A 23 -6.892 5.739 4.735 1.00 0.00 C ATOM 358 CG GLU A 23 -5.936 4.658 5.235 1.00 0.00 C ATOM 359 CD GLU A 23 -5.334 5.088 6.574 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.033 5.000 7.571 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.185 5.499 6.582 1.00 0.00 O ATOM 0 H GLU A 23 -5.343 6.217 2.970 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.518 4.380 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.412 6.716 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.775 5.781 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.467 3.713 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.144 4.492 4.505 1.00 0.00 H new ATOM 368 N GLN A 24 -8.507 7.514 2.912 1.00 0.00 N ATOM 369 CA GLN A 24 -9.727 8.296 2.586 1.00 0.00 C ATOM 370 C GLN A 24 -10.145 8.068 1.135 1.00 0.00 C ATOM 371 O GLN A 24 -11.301 7.813 0.864 1.00 0.00 O ATOM 372 CB GLN A 24 -9.384 9.767 2.849 1.00 0.00 C ATOM 373 CG GLN A 24 -8.234 10.225 1.952 1.00 0.00 C ATOM 374 CD GLN A 24 -7.869 11.669 2.299 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.376 12.596 1.698 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.005 11.902 3.249 1.00 0.00 N ATOM 0 H GLN A 24 -7.669 8.064 3.102 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.573 7.985 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.262 10.388 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.110 9.900 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.369 9.576 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.524 10.153 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.580 11.124 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.755 12.862 3.487 1.00 0.00 H new ATOM 385 N LEU A 25 -9.239 8.143 0.190 1.00 0.00 N ATOM 386 CA LEU A 25 -9.673 7.908 -1.214 1.00 0.00 C ATOM 387 C LEU A 25 -10.068 6.441 -1.382 1.00 0.00 C ATOM 388 O LEU A 25 -10.884 6.107 -2.219 1.00 0.00 O ATOM 389 CB LEU A 25 -8.504 8.300 -2.125 1.00 0.00 C ATOM 390 CG LEU A 25 -7.289 7.422 -1.848 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.376 6.156 -2.702 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.018 8.200 -2.212 1.00 0.00 C ATOM 0 H LEU A 25 -8.250 8.350 0.326 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.545 8.507 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.801 8.201 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.247 9.347 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.262 7.146 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.509 5.525 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.286 5.610 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.396 6.429 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.143 7.580 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.045 8.467 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.961 9.107 -1.610 1.00 0.00 H new ATOM 404 N LEU A 26 -9.538 5.561 -0.569 1.00 0.00 N ATOM 405 CA LEU A 26 -9.946 4.134 -0.678 1.00 0.00 C ATOM 406 C LEU A 26 -11.359 4.009 -0.108 1.00 0.00 C ATOM 407 O LEU A 26 -12.291 3.652 -0.804 1.00 0.00 O ATOM 408 CB LEU A 26 -8.942 3.340 0.162 1.00 0.00 C ATOM 409 CG LEU A 26 -7.801 2.828 -0.729 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.664 2.291 0.148 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.317 1.702 -1.637 1.00 0.00 C ATOM 0 H LEU A 26 -8.850 5.768 0.155 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.952 3.764 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.540 3.970 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.442 2.500 0.645 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.432 3.649 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.855 1.928 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.291 3.089 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.036 1.473 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.504 1.342 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.691 0.882 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.123 2.082 -2.265 1.00 0.00 H new ATOM 423 N LYS A 27 -11.535 4.335 1.151 1.00 0.00 N ATOM 424 CA LYS A 27 -12.898 4.272 1.759 1.00 0.00 C ATOM 425 C LYS A 27 -13.891 5.069 0.905 1.00 0.00 C ATOM 426 O LYS A 27 -14.974 4.612 0.596 1.00 0.00 O ATOM 427 CB LYS A 27 -12.742 4.939 3.124 1.00 0.00 C ATOM 428 CG LYS A 27 -14.055 4.832 3.905 1.00 0.00 C ATOM 429 CD LYS A 27 -14.359 3.362 4.194 1.00 0.00 C ATOM 430 CE LYS A 27 -15.218 3.254 5.457 1.00 0.00 C ATOM 431 NZ LYS A 27 -14.246 3.047 6.568 1.00 0.00 N ATOM 0 H LYS A 27 -10.794 4.641 1.781 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.273 3.251 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.936 4.463 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.467 5.986 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.981 5.389 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.869 5.277 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.881 2.915 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.430 2.807 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.808 4.158 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.920 2.423 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.355 2.086 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.278 3.169 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.426 3.742 7.321 1.00 0.00 H new ATOM 445 N GLN A 28 -13.522 6.265 0.541 1.00 0.00 N ATOM 446 CA GLN A 28 -14.431 7.125 -0.278 1.00 0.00 C ATOM 447 C GLN A 28 -14.809 6.446 -1.602 1.00 0.00 C ATOM 448 O GLN A 28 -15.959 6.448 -1.995 1.00 0.00 O ATOM 449 CB GLN A 28 -13.638 8.406 -0.541 1.00 0.00 C ATOM 450 CG GLN A 28 -14.570 9.473 -1.117 1.00 0.00 C ATOM 451 CD GLN A 28 -15.382 10.107 0.014 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.662 9.467 1.008 1.00 0.00 O ATOM 453 NE2 GLN A 28 -15.775 11.346 -0.095 1.00 0.00 N ATOM 0 H GLN A 28 -12.625 6.689 0.776 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.370 7.317 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.186 8.763 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.823 8.206 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.990 10.237 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.239 9.027 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.540 11.884 -0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.317 11.777 0.654 1.00 0.00 H new ATOM 462 N GLU A 29 -13.862 5.865 -2.298 1.00 0.00 N ATOM 463 CA GLU A 29 -14.203 5.198 -3.591 1.00 0.00 C ATOM 464 C GLU A 29 -15.035 3.947 -3.306 1.00 0.00 C ATOM 465 O GLU A 29 -15.973 3.638 -4.014 1.00 0.00 O ATOM 466 CB GLU A 29 -12.858 4.857 -4.245 1.00 0.00 C ATOM 467 CG GLU A 29 -13.007 4.804 -5.774 1.00 0.00 C ATOM 468 CD GLU A 29 -13.613 6.111 -6.291 1.00 0.00 C ATOM 469 OE1 GLU A 29 -12.894 7.096 -6.344 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.787 6.106 -6.625 1.00 0.00 O ATOM 0 H GLU A 29 -12.879 5.824 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.797 5.827 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.113 5.604 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.498 3.897 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.034 4.638 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.641 3.964 -6.056 1.00 0.00 H new ATOM 477 N GLY A 30 -14.721 3.249 -2.248 1.00 0.00 N ATOM 478 CA GLY A 30 -15.514 2.047 -1.882 1.00 0.00 C ATOM 479 C GLY A 30 -15.109 0.833 -2.722 1.00 0.00 C ATOM 480 O GLY A 30 -15.937 0.025 -3.094 1.00 0.00 O ATOM 0 H GLY A 30 -13.946 3.463 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.372 1.824 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.575 2.252 -2.024 1.00 0.00 H new ATOM 484 N LYS A 31 -13.845 0.682 -3.007 1.00 0.00 N ATOM 485 CA LYS A 31 -13.398 -0.502 -3.803 1.00 0.00 C ATOM 486 C LYS A 31 -12.779 -1.539 -2.870 1.00 0.00 C ATOM 487 O LYS A 31 -11.692 -1.344 -2.361 1.00 0.00 O ATOM 488 CB LYS A 31 -12.329 0.025 -4.764 1.00 0.00 C ATOM 489 CG LYS A 31 -12.778 1.356 -5.388 1.00 0.00 C ATOM 490 CD LYS A 31 -14.139 1.194 -6.076 1.00 0.00 C ATOM 491 CE LYS A 31 -13.974 1.353 -7.589 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.990 0.439 -8.185 1.00 0.00 N ATOM 0 H LYS A 31 -13.103 1.323 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.226 -0.972 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.389 0.165 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.144 -0.708 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.843 2.123 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.036 1.694 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.559 0.214 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.840 1.938 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.141 2.385 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.967 1.084 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.939 0.492 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.801 -0.537 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.940 0.723 -7.870 1.00 0.00 H new ATOM 506 N GLU A 32 -13.444 -2.640 -2.632 1.00 0.00 N ATOM 507 CA GLU A 32 -12.839 -3.651 -1.720 1.00 0.00 C ATOM 508 C GLU A 32 -11.603 -4.249 -2.370 1.00 0.00 C ATOM 509 O GLU A 32 -11.653 -4.793 -3.456 1.00 0.00 O ATOM 510 CB GLU A 32 -13.885 -4.736 -1.452 1.00 0.00 C ATOM 511 CG GLU A 32 -14.573 -5.153 -2.757 1.00 0.00 C ATOM 512 CD GLU A 32 -16.005 -4.613 -2.776 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.769 -4.983 -1.899 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.314 -3.839 -3.667 1.00 0.00 O ATOM 0 H GLU A 32 -14.357 -2.878 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.539 -3.190 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.409 -5.602 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.627 -4.367 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.017 -4.769 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.582 -6.239 -2.845 1.00 0.00 H new ATOM 521 N GLY A 33 -10.490 -4.142 -1.711 1.00 0.00 N ATOM 522 CA GLY A 33 -9.239 -4.684 -2.270 1.00 0.00 C ATOM 523 C GLY A 33 -8.552 -3.614 -3.123 1.00 0.00 C ATOM 524 O GLY A 33 -7.648 -3.910 -3.875 1.00 0.00 O ATOM 0 H GLY A 33 -10.397 -3.696 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.577 -5.002 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.451 -5.565 -2.875 1.00 0.00 H new ATOM 528 N GLY A 34 -8.952 -2.366 -3.011 1.00 0.00 N ATOM 529 CA GLY A 34 -8.285 -1.307 -3.824 1.00 0.00 C ATOM 530 C GLY A 34 -6.787 -1.382 -3.565 1.00 0.00 C ATOM 531 O GLY A 34 -6.363 -1.666 -2.465 1.00 0.00 O ATOM 0 H GLY A 34 -9.701 -2.043 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.495 -1.452 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.669 -0.323 -3.555 1.00 0.00 H new ATOM 535 N PHE A 35 -5.986 -1.174 -4.570 1.00 0.00 N ATOM 536 CA PHE A 35 -4.513 -1.281 -4.367 1.00 0.00 C ATOM 537 C PHE A 35 -3.783 -0.016 -4.831 1.00 0.00 C ATOM 538 O PHE A 35 -3.900 0.402 -5.966 1.00 0.00 O ATOM 539 CB PHE A 35 -4.114 -2.479 -5.223 1.00 0.00 C ATOM 540 CG PHE A 35 -2.670 -2.833 -4.971 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.654 -2.118 -5.611 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.351 -3.886 -4.107 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.314 -2.457 -5.388 1.00 0.00 C ATOM 544 CE2 PHE A 35 -1.012 -4.223 -3.881 1.00 0.00 C ATOM 545 CZ PHE A 35 0.007 -3.509 -4.522 1.00 0.00 C ATOM 0 H PHE A 35 -6.282 -0.936 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.250 -1.399 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.752 -3.332 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.262 -2.248 -6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.902 -1.305 -6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.138 -4.438 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.472 -1.907 -5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.765 -5.034 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.041 -3.770 -4.349 1.00 0.00 H new ATOM 555 N ILE A 36 -3.012 0.584 -3.958 1.00 0.00 N ATOM 556 CA ILE A 36 -2.250 1.810 -4.340 1.00 0.00 C ATOM 557 C ILE A 36 -0.794 1.667 -3.889 1.00 0.00 C ATOM 558 O ILE A 36 -0.464 0.809 -3.095 1.00 0.00 O ATOM 559 CB ILE A 36 -2.913 2.968 -3.587 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.421 2.985 -3.854 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.301 4.291 -4.056 1.00 0.00 C ATOM 562 CD1 ILE A 36 -5.068 4.123 -3.053 1.00 0.00 C ATOM 0 H ILE A 36 -2.878 0.276 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.258 1.974 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.746 2.837 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.611 3.121 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.862 2.029 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.770 5.118 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.230 4.289 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.467 4.409 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.141 4.136 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.889 3.967 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.634 5.075 -3.358 1.00 0.00 H new ATOM 574 N VAL A 37 0.079 2.506 -4.381 1.00 0.00 N ATOM 575 CA VAL A 37 1.510 2.424 -3.970 1.00 0.00 C ATOM 576 C VAL A 37 2.161 3.807 -4.056 1.00 0.00 C ATOM 577 O VAL A 37 1.675 4.687 -4.738 1.00 0.00 O ATOM 578 CB VAL A 37 2.175 1.464 -4.959 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.656 1.313 -4.604 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.497 0.094 -4.886 1.00 0.00 C ATOM 0 H VAL A 37 -0.138 3.245 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 37 1.615 2.076 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 37 2.077 1.864 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.131 0.629 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.144 2.286 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.749 0.916 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.974 -0.586 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.592 -0.306 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.441 0.197 -5.138 1.00 0.00 H new ATOM 590 N ARG A 38 3.257 4.004 -3.374 1.00 0.00 N ATOM 591 CA ARG A 38 3.935 5.335 -3.425 1.00 0.00 C ATOM 592 C ARG A 38 5.400 5.214 -3.002 1.00 0.00 C ATOM 593 O ARG A 38 5.781 4.295 -2.304 1.00 0.00 O ATOM 594 CB ARG A 38 3.167 6.220 -2.442 1.00 0.00 C ATOM 595 CG ARG A 38 3.169 5.580 -1.048 1.00 0.00 C ATOM 596 CD ARG A 38 4.276 6.206 -0.199 1.00 0.00 C ATOM 597 NE ARG A 38 3.809 6.063 1.208 1.00 0.00 N ATOM 598 CZ ARG A 38 4.141 6.955 2.101 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.311 6.897 2.676 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.304 7.905 2.418 1.00 0.00 N ATOM 0 H ARG A 38 3.712 3.306 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 38 3.933 5.749 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.623 7.209 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.142 6.357 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.201 5.727 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.324 4.504 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.227 5.697 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.429 7.253 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 38 3.229 5.267 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.965 6.155 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.571 7.594 3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.390 7.951 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.564 8.602 3.116 1.00 0.00 H new ATOM 614 N ASP A 39 6.224 6.141 -3.418 1.00 0.00 N ATOM 615 CA ASP A 39 7.668 6.085 -3.038 1.00 0.00 C ATOM 616 C ASP A 39 7.853 6.526 -1.583 1.00 0.00 C ATOM 617 O ASP A 39 6.980 7.131 -0.992 1.00 0.00 O ATOM 618 CB ASP A 39 8.366 7.061 -3.985 1.00 0.00 C ATOM 619 CG ASP A 39 9.877 6.999 -3.758 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.383 5.906 -3.563 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.503 8.046 -3.780 1.00 0.00 O ATOM 0 H ASP A 39 5.960 6.933 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 39 8.075 5.077 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.132 6.810 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.003 8.074 -3.813 1.00 0.00 H new ATOM 626 N SER A 40 8.985 6.226 -1.000 1.00 0.00 N ATOM 627 CA SER A 40 9.230 6.626 0.418 1.00 0.00 C ATOM 628 C SER A 40 10.301 7.723 0.486 1.00 0.00 C ATOM 629 O SER A 40 10.458 8.504 -0.434 1.00 0.00 O ATOM 630 CB SER A 40 9.717 5.352 1.109 1.00 0.00 C ATOM 631 OG SER A 40 9.777 5.573 2.511 1.00 0.00 O ATOM 0 H SER A 40 9.751 5.721 -1.445 1.00 0.00 H new ATOM 0 HA SER A 40 8.336 7.031 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.043 4.524 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.700 5.072 0.731 1.00 0.00 H new ATOM 0 HG SER A 40 8.917 5.337 2.917 1.00 0.00 H new ATOM 637 N SER A 41 11.037 7.791 1.567 1.00 0.00 N ATOM 638 CA SER A 41 12.093 8.839 1.690 1.00 0.00 C ATOM 639 C SER A 41 13.259 8.324 2.541 1.00 0.00 C ATOM 640 O SER A 41 14.394 8.307 2.107 1.00 0.00 O ATOM 641 CB SER A 41 11.406 10.014 2.383 1.00 0.00 C ATOM 642 OG SER A 41 10.267 10.405 1.627 1.00 0.00 O ATOM 0 H SER A 41 10.951 7.166 2.369 1.00 0.00 H new ATOM 0 HA SER A 41 12.507 9.120 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.107 9.731 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.098 10.850 2.478 1.00 0.00 H new ATOM 0 HG SER A 41 9.823 11.158 2.070 1.00 0.00 H new ATOM 648 N LYS A 42 12.987 7.906 3.749 1.00 0.00 N ATOM 649 CA LYS A 42 14.079 7.391 4.632 1.00 0.00 C ATOM 650 C LYS A 42 14.852 6.275 3.922 1.00 0.00 C ATOM 651 O LYS A 42 16.000 6.436 3.557 1.00 0.00 O ATOM 652 CB LYS A 42 13.366 6.843 5.870 1.00 0.00 C ATOM 653 CG LYS A 42 13.087 7.985 6.853 1.00 0.00 C ATOM 654 CD LYS A 42 13.940 7.805 8.115 1.00 0.00 C ATOM 655 CE LYS A 42 14.741 9.083 8.381 1.00 0.00 C ATOM 656 NZ LYS A 42 13.766 10.026 8.996 1.00 0.00 N ATOM 0 H LYS A 42 12.055 7.898 4.164 1.00 0.00 H new ATOM 0 HA LYS A 42 14.801 8.166 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.431 6.363 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.981 6.081 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.312 8.943 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.030 8.000 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.301 7.580 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.616 6.959 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.580 8.891 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.155 9.489 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.241 10.927 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.982 10.195 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.394 9.616 9.876 1.00 0.00 H new ATOM 670 N ALA A 43 14.225 5.149 3.719 1.00 0.00 N ATOM 671 CA ALA A 43 14.912 4.021 3.025 1.00 0.00 C ATOM 672 C ALA A 43 14.744 4.152 1.515 1.00 0.00 C ATOM 673 O ALA A 43 15.403 3.477 0.747 1.00 0.00 O ATOM 674 CB ALA A 43 14.192 2.760 3.504 1.00 0.00 C ATOM 0 H ALA A 43 13.264 4.960 4.004 1.00 0.00 H new ATOM 0 HA ALA A 43 15.980 4.003 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.642 1.884 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.282 2.679 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.138 2.817 3.231 1.00 0.00 H new ATOM 680 N GLY A 44 13.839 4.983 1.082 1.00 0.00 N ATOM 681 CA GLY A 44 13.599 5.118 -0.376 1.00 0.00 C ATOM 682 C GLY A 44 12.871 3.857 -0.833 1.00 0.00 C ATOM 683 O GLY A 44 12.983 3.430 -1.966 1.00 0.00 O ATOM 0 H GLY A 44 13.257 5.573 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.001 6.005 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.541 5.234 -0.912 1.00 0.00 H new ATOM 687 N LYS A 45 12.130 3.250 0.061 1.00 0.00 N ATOM 688 CA LYS A 45 11.394 2.008 -0.286 1.00 0.00 C ATOM 689 C LYS A 45 10.007 2.356 -0.830 1.00 0.00 C ATOM 690 O LYS A 45 9.659 3.513 -0.964 1.00 0.00 O ATOM 691 CB LYS A 45 11.277 1.238 1.031 1.00 0.00 C ATOM 692 CG LYS A 45 10.379 2.007 2.008 1.00 0.00 C ATOM 693 CD LYS A 45 10.949 1.901 3.425 1.00 0.00 C ATOM 694 CE LYS A 45 10.795 3.244 4.143 1.00 0.00 C ATOM 695 NZ LYS A 45 11.226 2.980 5.544 1.00 0.00 N ATOM 0 H LYS A 45 12.006 3.569 1.022 1.00 0.00 H new ATOM 0 HA LYS A 45 11.901 1.425 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.863 0.246 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.265 1.095 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.313 3.053 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.367 1.603 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.429 1.119 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.001 1.618 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.411 4.014 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.764 3.596 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.149 3.855 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.617 2.248 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.213 2.653 5.548 1.00 0.00 H new ATOM 709 N TYR A 46 9.207 1.369 -1.136 1.00 0.00 N ATOM 710 CA TYR A 46 7.842 1.656 -1.663 1.00 0.00 C ATOM 711 C TYR A 46 6.783 1.190 -0.655 1.00 0.00 C ATOM 712 O TYR A 46 7.030 0.322 0.162 1.00 0.00 O ATOM 713 CB TYR A 46 7.721 0.861 -2.973 1.00 0.00 C ATOM 714 CG TYR A 46 8.910 1.126 -3.881 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.625 2.328 -3.789 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.294 0.161 -4.821 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.718 2.562 -4.632 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.388 0.396 -5.664 1.00 0.00 C ATOM 719 CZ TYR A 46 11.100 1.595 -5.568 1.00 0.00 C ATOM 720 OH TYR A 46 12.177 1.827 -6.398 1.00 0.00 O ATOM 0 H TYR A 46 9.439 0.380 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 46 7.688 2.722 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.658 -0.204 -2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.799 1.135 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.332 3.075 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.745 -0.766 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.267 3.490 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.681 -0.350 -6.388 1.00 0.00 H new ATOM 0 HH TYR A 46 12.308 1.055 -6.987 1.00 0.00 H new ATOM 730 N THR A 47 5.605 1.754 -0.716 1.00 0.00 N ATOM 731 CA THR A 47 4.524 1.338 0.228 1.00 0.00 C ATOM 732 C THR A 47 3.272 0.964 -0.562 1.00 0.00 C ATOM 733 O THR A 47 2.885 1.654 -1.483 1.00 0.00 O ATOM 734 CB THR A 47 4.256 2.561 1.115 1.00 0.00 C ATOM 735 OG1 THR A 47 5.417 2.850 1.882 1.00 0.00 O ATOM 736 CG2 THR A 47 3.078 2.275 2.058 1.00 0.00 C ATOM 0 H THR A 47 5.344 2.485 -1.378 1.00 0.00 H new ATOM 0 HA THR A 47 4.807 0.471 0.824 1.00 0.00 H new ATOM 0 HB THR A 47 4.010 3.415 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.249 3.632 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.893 3.148 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.187 2.055 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.317 1.419 2.689 1.00 0.00 H new ATOM 744 N VAL A 48 2.643 -0.125 -0.209 1.00 0.00 N ATOM 745 CA VAL A 48 1.413 -0.552 -0.941 1.00 0.00 C ATOM 746 C VAL A 48 0.169 -0.286 -0.084 1.00 0.00 C ATOM 747 O VAL A 48 0.016 -0.831 0.989 1.00 0.00 O ATOM 748 CB VAL A 48 1.604 -2.051 -1.183 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.294 -2.676 -1.667 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.686 -2.259 -2.245 1.00 0.00 C ATOM 0 H VAL A 48 2.927 -0.738 0.555 1.00 0.00 H new ATOM 0 HA VAL A 48 1.269 -0.007 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 48 1.904 -2.527 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.441 -3.743 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.479 -2.531 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.014 -2.200 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.824 -3.326 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.382 -1.776 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.624 -1.823 -1.899 1.00 0.00 H new ATOM 760 N SER A 49 -0.716 0.553 -0.552 1.00 0.00 N ATOM 761 CA SER A 49 -1.948 0.867 0.231 1.00 0.00 C ATOM 762 C SER A 49 -3.161 0.134 -0.349 1.00 0.00 C ATOM 763 O SER A 49 -3.556 0.375 -1.472 1.00 0.00 O ATOM 764 CB SER A 49 -2.125 2.375 0.076 1.00 0.00 C ATOM 765 OG SER A 49 -1.207 3.047 0.926 1.00 0.00 O ATOM 0 H SER A 49 -0.639 1.037 -1.447 1.00 0.00 H new ATOM 0 HA SER A 49 -1.862 0.557 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.959 2.667 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.146 2.660 0.328 1.00 0.00 H new ATOM 0 HG SER A 49 -1.432 4.000 0.962 1.00 0.00 H new ATOM 771 N VAL A 50 -3.762 -0.754 0.403 1.00 0.00 N ATOM 772 CA VAL A 50 -4.954 -1.483 -0.132 1.00 0.00 C ATOM 773 C VAL A 50 -6.127 -1.402 0.856 1.00 0.00 C ATOM 774 O VAL A 50 -5.934 -1.468 2.057 1.00 0.00 O ATOM 775 CB VAL A 50 -4.496 -2.936 -0.308 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.234 -2.978 -1.173 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.188 -3.557 1.059 1.00 0.00 C ATOM 0 H VAL A 50 -3.484 -1.004 1.352 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.305 -1.052 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.293 -3.500 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.911 -4.012 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.448 -2.546 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.442 -2.406 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.863 -4.589 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.397 -2.988 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.085 -3.536 1.678 1.00 0.00 H new ATOM 787 N PHE A 51 -7.343 -1.261 0.373 1.00 0.00 N ATOM 788 CA PHE A 51 -8.499 -1.185 1.322 1.00 0.00 C ATOM 789 C PHE A 51 -9.645 -2.099 0.872 1.00 0.00 C ATOM 790 O PHE A 51 -9.832 -2.330 -0.303 1.00 0.00 O ATOM 791 CB PHE A 51 -8.924 0.293 1.305 1.00 0.00 C ATOM 792 CG PHE A 51 -10.432 0.438 1.187 1.00 0.00 C ATOM 793 CD1 PHE A 51 -11.075 0.153 -0.025 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.182 0.868 2.287 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.463 0.294 -0.130 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.568 1.010 2.181 1.00 0.00 C ATOM 797 CZ PHE A 51 -13.209 0.722 0.972 1.00 0.00 C ATOM 0 H PHE A 51 -7.580 -1.197 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.230 -1.520 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.581 0.782 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.442 0.802 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.499 -0.175 -0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.688 1.091 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.959 0.072 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.144 1.342 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.280 0.830 0.890 1.00 0.00 H new ATOM 807 N ALA A 52 -10.431 -2.592 1.800 1.00 0.00 N ATOM 808 CA ALA A 52 -11.584 -3.464 1.413 1.00 0.00 C ATOM 809 C ALA A 52 -12.752 -3.313 2.389 1.00 0.00 C ATOM 810 O ALA A 52 -12.608 -2.799 3.474 1.00 0.00 O ATOM 811 CB ALA A 52 -11.065 -4.896 1.445 1.00 0.00 C ATOM 0 H ALA A 52 -10.325 -2.429 2.801 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.957 -3.186 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.868 -5.580 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.241 -5.000 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.714 -5.134 2.449 1.00 0.00 H new ATOM 817 N LYS A 53 -13.912 -3.766 1.998 1.00 0.00 N ATOM 818 CA LYS A 53 -15.106 -3.657 2.885 1.00 0.00 C ATOM 819 C LYS A 53 -15.621 -5.055 3.263 1.00 0.00 C ATOM 820 O LYS A 53 -16.769 -5.379 3.029 1.00 0.00 O ATOM 821 CB LYS A 53 -16.140 -2.929 2.029 1.00 0.00 C ATOM 822 CG LYS A 53 -15.804 -1.440 1.985 1.00 0.00 C ATOM 823 CD LYS A 53 -17.076 -0.634 1.717 1.00 0.00 C ATOM 824 CE LYS A 53 -16.745 0.859 1.747 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.011 1.526 2.160 1.00 0.00 N ATOM 0 H LYS A 53 -14.085 -4.210 1.096 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.889 -3.138 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.148 -3.341 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.138 -3.076 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.357 -1.130 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.068 -1.246 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.495 -0.906 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.832 -0.866 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.940 1.071 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.415 1.210 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.974 2.532 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.815 1.073 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.130 1.439 3.190 1.00 0.00 H new ATOM 839 N SER A 54 -14.788 -5.890 3.836 1.00 0.00 N ATOM 840 CA SER A 54 -15.259 -7.260 4.207 1.00 0.00 C ATOM 841 C SER A 54 -14.298 -7.941 5.194 1.00 0.00 C ATOM 842 O SER A 54 -13.669 -8.931 4.876 1.00 0.00 O ATOM 843 CB SER A 54 -15.297 -8.029 2.888 1.00 0.00 C ATOM 844 OG SER A 54 -15.675 -9.376 3.139 1.00 0.00 O ATOM 0 H SER A 54 -13.814 -5.685 4.060 1.00 0.00 H new ATOM 0 HA SER A 54 -16.228 -7.228 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.005 -7.563 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.319 -7.997 2.407 1.00 0.00 H new ATOM 0 HG SER A 54 -14.984 -9.814 3.679 1.00 0.00 H new ATOM 850 N THR A 55 -14.201 -7.431 6.396 1.00 0.00 N ATOM 851 CA THR A 55 -13.301 -8.054 7.418 1.00 0.00 C ATOM 852 C THR A 55 -13.464 -7.306 8.747 1.00 0.00 C ATOM 853 O THR A 55 -14.574 -7.049 9.174 1.00 0.00 O ATOM 854 CB THR A 55 -11.876 -7.913 6.861 1.00 0.00 C ATOM 855 OG1 THR A 55 -10.957 -8.498 7.773 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.535 -6.436 6.672 1.00 0.00 C ATOM 0 H THR A 55 -14.708 -6.606 6.716 1.00 0.00 H new ATOM 0 HA THR A 55 -13.533 -9.102 7.606 1.00 0.00 H new ATOM 0 HB THR A 55 -11.813 -8.420 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.173 -7.917 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.523 -6.344 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.240 -5.986 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.598 -5.922 7.631 1.00 0.00 H new ATOM 864 N GLY A 56 -12.387 -6.933 9.402 1.00 0.00 N ATOM 865 CA GLY A 56 -12.526 -6.181 10.687 1.00 0.00 C ATOM 866 C GLY A 56 -13.490 -5.016 10.460 1.00 0.00 C ATOM 867 O GLY A 56 -14.258 -4.642 11.325 1.00 0.00 O ATOM 0 H GLY A 56 -11.429 -7.116 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.902 -6.837 11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.555 -5.812 11.018 1.00 0.00 H new ATOM 871 N ASP A 57 -13.464 -4.463 9.278 1.00 0.00 N ATOM 872 CA ASP A 57 -14.377 -3.345 8.935 1.00 0.00 C ATOM 873 C ASP A 57 -15.196 -3.742 7.696 1.00 0.00 C ATOM 874 O ASP A 57 -14.776 -3.514 6.581 1.00 0.00 O ATOM 875 CB ASP A 57 -13.447 -2.183 8.615 1.00 0.00 C ATOM 876 CG ASP A 57 -14.052 -0.881 9.144 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.216 -0.639 8.874 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.340 -0.149 9.811 1.00 0.00 O ATOM 0 H ASP A 57 -12.836 -4.746 8.526 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.079 -3.093 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.469 -2.351 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.293 -2.113 7.538 1.00 0.00 H new ATOM 883 N PRO A 58 -16.329 -4.353 7.927 1.00 0.00 N ATOM 884 CA PRO A 58 -17.192 -4.816 6.810 1.00 0.00 C ATOM 885 C PRO A 58 -17.545 -3.693 5.836 1.00 0.00 C ATOM 886 O PRO A 58 -17.951 -3.943 4.716 1.00 0.00 O ATOM 887 CB PRO A 58 -18.440 -5.307 7.542 1.00 0.00 C ATOM 888 CG PRO A 58 -18.236 -5.131 9.057 1.00 0.00 C ATOM 889 CD PRO A 58 -16.820 -4.604 9.302 1.00 0.00 C ATOM 0 HA PRO A 58 -16.706 -5.571 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.315 -4.746 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.626 -6.355 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.973 -4.436 9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.380 -6.081 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.824 -3.695 9.904 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.201 -5.332 9.827 1.00 0.00 H new ATOM 897 N GLN A 59 -17.432 -2.467 6.249 1.00 0.00 N ATOM 898 CA GLN A 59 -17.807 -1.346 5.334 1.00 0.00 C ATOM 899 C GLN A 59 -16.615 -0.445 4.987 1.00 0.00 C ATOM 900 O GLN A 59 -16.798 0.635 4.461 1.00 0.00 O ATOM 901 CB GLN A 59 -18.867 -0.551 6.098 1.00 0.00 C ATOM 902 CG GLN A 59 -18.348 -0.226 7.499 1.00 0.00 C ATOM 903 CD GLN A 59 -18.965 1.088 7.984 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.366 1.914 7.189 1.00 0.00 O ATOM 905 NE2 GLN A 59 -19.058 1.317 9.265 1.00 0.00 N ATOM 0 H GLN A 59 -17.100 -2.187 7.172 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.168 -1.731 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.103 0.369 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.790 -1.126 6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.599 -1.033 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.261 -0.146 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.721 0.623 9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.467 2.190 9.599 1.00 0.00 H new ATOM 914 N GLY A 60 -15.405 -0.861 5.251 1.00 0.00 N ATOM 915 CA GLY A 60 -14.248 0.005 4.897 1.00 0.00 C ATOM 916 C GLY A 60 -12.981 -0.433 5.636 1.00 0.00 C ATOM 917 O GLY A 60 -12.835 -0.215 6.820 1.00 0.00 O ATOM 0 H GLY A 60 -15.171 -1.751 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.077 -0.035 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.477 1.041 5.145 1.00 0.00 H new ATOM 921 N VAL A 61 -12.059 -1.036 4.933 1.00 0.00 N ATOM 922 CA VAL A 61 -10.789 -1.487 5.580 1.00 0.00 C ATOM 923 C VAL A 61 -9.597 -0.962 4.806 1.00 0.00 C ATOM 924 O VAL A 61 -9.650 -0.806 3.612 1.00 0.00 O ATOM 925 CB VAL A 61 -10.794 -3.012 5.504 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.619 -3.564 6.311 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.105 -3.568 6.053 1.00 0.00 C ATOM 0 H VAL A 61 -12.130 -1.237 3.935 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.721 -1.125 6.606 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.697 -3.316 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.621 -4.653 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.684 -3.182 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.713 -3.251 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.093 -4.656 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.222 -3.264 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.938 -3.181 5.467 1.00 0.00 H new ATOM 937 N ILE A 62 -8.526 -0.681 5.485 1.00 0.00 N ATOM 938 CA ILE A 62 -7.319 -0.148 4.789 1.00 0.00 C ATOM 939 C ILE A 62 -6.034 -0.649 5.452 1.00 0.00 C ATOM 940 O ILE A 62 -6.016 -1.003 6.615 1.00 0.00 O ATOM 941 CB ILE A 62 -7.418 1.376 4.914 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.855 1.765 5.305 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.042 2.012 3.571 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.020 3.276 5.325 1.00 0.00 C ATOM 0 H ILE A 62 -8.430 -0.796 6.494 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.283 -0.476 3.750 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.735 1.734 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.560 1.327 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.093 1.356 6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.110 3.097 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.022 1.730 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.726 1.662 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.043 3.527 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.330 3.708 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.805 3.679 4.335 1.00 0.00 H new ATOM 956 N ARG A 63 -4.957 -0.670 4.713 1.00 0.00 N ATOM 957 CA ARG A 63 -3.656 -1.133 5.279 1.00 0.00 C ATOM 958 C ARG A 63 -2.523 -0.810 4.299 1.00 0.00 C ATOM 959 O ARG A 63 -2.582 -1.164 3.137 1.00 0.00 O ATOM 960 CB ARG A 63 -3.812 -2.647 5.446 1.00 0.00 C ATOM 961 CG ARG A 63 -3.242 -3.079 6.802 1.00 0.00 C ATOM 962 CD ARG A 63 -4.346 -3.731 7.639 1.00 0.00 C ATOM 963 NE ARG A 63 -3.800 -3.780 9.023 1.00 0.00 N ATOM 964 CZ ARG A 63 -3.792 -4.907 9.682 1.00 0.00 C ATOM 965 NH1 ARG A 63 -4.832 -5.694 9.639 1.00 0.00 N ATOM 966 NH2 ARG A 63 -2.744 -5.246 10.382 1.00 0.00 N ATOM 0 H ARG A 63 -4.922 -0.384 3.734 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.413 -0.647 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.864 -2.923 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.293 -3.167 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.420 -3.780 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.834 -2.216 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.268 -3.150 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.582 -4.730 7.272 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.432 -2.933 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.650 -5.428 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.827 -6.575 10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.931 -4.630 10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.738 -6.126 10.897 1.00 0.00 H new ATOM 980 N HIS A 64 -1.498 -0.131 4.749 1.00 0.00 N ATOM 981 CA HIS A 64 -0.377 0.215 3.822 1.00 0.00 C ATOM 982 C HIS A 64 0.812 -0.717 4.036 1.00 0.00 C ATOM 983 O HIS A 64 1.559 -0.579 4.985 1.00 0.00 O ATOM 984 CB HIS A 64 0.033 1.655 4.155 1.00 0.00 C ATOM 985 CG HIS A 64 -1.190 2.498 4.391 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.886 3.089 3.352 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.856 2.850 5.538 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.920 3.760 3.885 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.950 3.649 5.217 1.00 0.00 N ATOM 0 H HIS A 64 -1.389 0.196 5.709 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.692 0.112 2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.668 1.665 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.620 2.073 3.337 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.656 3.026 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.574 2.553 6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.640 4.321 3.308 1.00 0.00 H new ATOM 997 N TYR A 65 1.011 -1.643 3.143 1.00 0.00 N ATOM 998 CA TYR A 65 2.175 -2.561 3.273 1.00 0.00 C ATOM 999 C TYR A 65 3.411 -1.838 2.765 1.00 0.00 C ATOM 1000 O TYR A 65 3.438 -1.361 1.652 1.00 0.00 O ATOM 1001 CB TYR A 65 1.875 -3.748 2.366 1.00 0.00 C ATOM 1002 CG TYR A 65 0.441 -4.199 2.537 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.139 -4.241 3.812 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.307 -4.583 1.417 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.461 -4.668 3.966 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.630 -5.007 1.572 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.207 -5.052 2.846 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.512 -5.472 2.999 1.00 0.00 O ATOM 0 H TYR A 65 0.418 -1.804 2.329 1.00 0.00 H new ATOM 0 HA TYR A 65 2.343 -2.878 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.054 -3.473 1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.551 -4.571 2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.436 -3.943 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.138 -4.552 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.907 -4.702 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.207 -5.300 0.708 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.834 -5.221 3.890 1.00 0.00 H new ATOM 1018 N VAL A 66 4.430 -1.742 3.556 1.00 0.00 N ATOM 1019 CA VAL A 66 5.648 -1.028 3.082 1.00 0.00 C ATOM 1020 C VAL A 66 6.832 -1.982 3.013 1.00 0.00 C ATOM 1021 O VAL A 66 6.799 -3.072 3.544 1.00 0.00 O ATOM 1022 CB VAL A 66 5.919 0.066 4.113 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.069 0.947 3.615 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.664 0.923 4.308 1.00 0.00 C ATOM 0 H VAL A 66 4.480 -2.120 4.502 1.00 0.00 H new ATOM 0 HA VAL A 66 5.503 -0.617 2.083 1.00 0.00 H new ATOM 0 HB VAL A 66 6.187 -0.391 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.269 1.731 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.963 0.338 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.794 1.400 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.865 1.701 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.387 1.384 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.845 0.295 4.658 1.00 0.00 H new ATOM 1034 N VAL A 67 7.885 -1.573 2.366 1.00 0.00 N ATOM 1035 CA VAL A 67 9.076 -2.455 2.270 1.00 0.00 C ATOM 1036 C VAL A 67 10.253 -1.838 3.024 1.00 0.00 C ATOM 1037 O VAL A 67 10.648 -0.719 2.769 1.00 0.00 O ATOM 1038 CB VAL A 67 9.386 -2.543 0.780 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.653 -3.378 0.578 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.208 -3.202 0.054 1.00 0.00 C ATOM 0 H VAL A 67 7.972 -0.669 1.901 1.00 0.00 H new ATOM 0 HA VAL A 67 8.897 -3.437 2.708 1.00 0.00 H new ATOM 0 HB VAL A 67 9.543 -1.543 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.879 -3.444 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.487 -2.906 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.496 -4.380 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.427 -3.266 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.049 -4.204 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.308 -2.605 0.204 1.00 0.00 H new ATOM 1050 N CYS A 68 10.824 -2.567 3.937 1.00 0.00 N ATOM 1051 CA CYS A 68 11.988 -2.036 4.692 1.00 0.00 C ATOM 1052 C CYS A 68 13.272 -2.401 3.950 1.00 0.00 C ATOM 1053 O CYS A 68 13.285 -3.311 3.147 1.00 0.00 O ATOM 1054 CB CYS A 68 11.929 -2.724 6.056 1.00 0.00 C ATOM 1055 SG CYS A 68 13.233 -2.064 7.124 1.00 0.00 S ATOM 0 H CYS A 68 10.534 -3.511 4.194 1.00 0.00 H new ATOM 0 HA CYS A 68 11.969 -0.951 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.953 -2.563 6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.052 -3.801 5.937 1.00 0.00 H new ATOM 0 HG CYS A 68 13.956 -3.043 7.582 1.00 0.00 H new ATOM 1061 N SER A 69 14.344 -1.696 4.190 1.00 0.00 N ATOM 1062 CA SER A 69 15.610 -2.011 3.469 1.00 0.00 C ATOM 1063 C SER A 69 16.796 -2.084 4.432 1.00 0.00 C ATOM 1064 O SER A 69 16.995 -1.219 5.262 1.00 0.00 O ATOM 1065 CB SER A 69 15.797 -0.859 2.487 1.00 0.00 C ATOM 1066 OG SER A 69 15.416 0.360 3.112 1.00 0.00 O ATOM 0 H SER A 69 14.398 -0.920 4.850 1.00 0.00 H new ATOM 0 HA SER A 69 15.559 -2.981 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.837 -0.806 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.195 -1.026 1.594 1.00 0.00 H new ATOM 0 HG SER A 69 16.218 0.864 3.362 1.00 0.00 H new ATOM 1072 N THR A 70 17.597 -3.107 4.302 1.00 0.00 N ATOM 1073 CA THR A 70 18.795 -3.247 5.180 1.00 0.00 C ATOM 1074 C THR A 70 20.034 -2.762 4.408 1.00 0.00 C ATOM 1075 O THR A 70 20.016 -2.729 3.193 1.00 0.00 O ATOM 1076 CB THR A 70 18.875 -4.745 5.504 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.897 -4.976 6.459 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.175 -5.541 4.236 1.00 0.00 C ATOM 0 H THR A 70 17.472 -3.856 3.621 1.00 0.00 H new ATOM 0 HA THR A 70 18.738 -2.657 6.095 1.00 0.00 H new ATOM 0 HB THR A 70 17.917 -5.068 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.564 -4.757 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.230 -6.603 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.383 -5.375 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.127 -5.214 3.818 1.00 0.00 H new ATOM 1086 N PRO A 71 21.066 -2.371 5.120 1.00 0.00 N ATOM 1087 CA PRO A 71 22.294 -1.858 4.459 1.00 0.00 C ATOM 1088 C PRO A 71 22.992 -2.910 3.588 1.00 0.00 C ATOM 1089 O PRO A 71 24.007 -2.629 2.980 1.00 0.00 O ATOM 1090 CB PRO A 71 23.171 -1.447 5.645 1.00 0.00 C ATOM 1091 CG PRO A 71 22.409 -1.741 6.951 1.00 0.00 C ATOM 1092 CD PRO A 71 21.071 -2.408 6.603 1.00 0.00 C ATOM 0 HA PRO A 71 22.079 -1.045 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.113 -1.995 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.418 -0.387 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.000 -2.393 7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.238 -0.818 7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.016 -3.428 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.226 -1.865 7.025 1.00 0.00 H new ATOM 1100 N GLN A 72 22.466 -4.098 3.491 1.00 0.00 N ATOM 1101 CA GLN A 72 23.120 -5.117 2.625 1.00 0.00 C ATOM 1102 C GLN A 72 22.479 -5.075 1.230 1.00 0.00 C ATOM 1103 O GLN A 72 22.490 -6.043 0.497 1.00 0.00 O ATOM 1104 CB GLN A 72 22.858 -6.452 3.332 1.00 0.00 C ATOM 1105 CG GLN A 72 23.438 -7.616 2.519 1.00 0.00 C ATOM 1106 CD GLN A 72 24.926 -7.373 2.252 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.576 -6.648 2.979 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.496 -7.954 1.232 1.00 0.00 N ATOM 0 H GLN A 72 21.619 -4.406 3.969 1.00 0.00 H new ATOM 0 HA GLN A 72 24.188 -4.952 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.305 -6.437 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.786 -6.594 3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.305 -8.552 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.901 -7.715 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.951 -8.563 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.487 -7.800 1.045 1.00 0.00 H new ATOM 1117 N SER A 73 21.911 -3.947 0.859 1.00 0.00 N ATOM 1118 CA SER A 73 21.253 -3.831 -0.478 1.00 0.00 C ATOM 1119 C SER A 73 20.099 -4.828 -0.551 1.00 0.00 C ATOM 1120 O SER A 73 19.971 -5.583 -1.496 1.00 0.00 O ATOM 1121 CB SER A 73 22.336 -4.176 -1.504 1.00 0.00 C ATOM 1122 OG SER A 73 22.035 -3.536 -2.737 1.00 0.00 O ATOM 0 H SER A 73 21.877 -3.102 1.429 1.00 0.00 H new ATOM 0 HA SER A 73 20.846 -2.837 -0.662 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.312 -3.853 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.389 -5.256 -1.645 1.00 0.00 H new ATOM 0 HG SER A 73 22.727 -3.753 -3.396 1.00 0.00 H new ATOM 1128 N GLN A 74 19.273 -4.852 0.461 1.00 0.00 N ATOM 1129 CA GLN A 74 18.137 -5.821 0.483 1.00 0.00 C ATOM 1130 C GLN A 74 16.855 -5.135 0.969 1.00 0.00 C ATOM 1131 O GLN A 74 16.882 -4.012 1.434 1.00 0.00 O ATOM 1132 CB GLN A 74 18.571 -6.912 1.466 1.00 0.00 C ATOM 1133 CG GLN A 74 20.099 -6.939 1.580 1.00 0.00 C ATOM 1134 CD GLN A 74 20.551 -8.280 2.162 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.611 -8.446 3.364 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.872 -9.253 1.353 1.00 0.00 N ATOM 0 H GLN A 74 19.336 -4.241 1.275 1.00 0.00 H new ATOM 0 HA GLN A 74 17.919 -6.223 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.129 -6.728 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.206 -7.882 1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.549 -6.788 0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.440 -6.122 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.822 -9.115 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.173 -10.152 1.730 1.00 0.00 H new ATOM 1145 N TYR A 75 15.729 -5.796 0.847 1.00 0.00 N ATOM 1146 CA TYR A 75 14.437 -5.165 1.287 1.00 0.00 C ATOM 1147 C TYR A 75 13.465 -6.207 1.850 1.00 0.00 C ATOM 1148 O TYR A 75 13.581 -7.378 1.578 1.00 0.00 O ATOM 1149 CB TYR A 75 13.832 -4.547 0.023 1.00 0.00 C ATOM 1150 CG TYR A 75 14.854 -3.689 -0.676 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.815 -4.282 -1.499 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.845 -2.305 -0.496 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.768 -3.494 -2.143 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.797 -1.512 -1.142 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.761 -2.105 -1.966 1.00 0.00 C ATOM 1156 OH TYR A 75 17.702 -1.323 -2.602 1.00 0.00 O ATOM 0 H TYR A 75 15.645 -6.738 0.465 1.00 0.00 H new ATOM 0 HA TYR A 75 14.616 -4.434 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.488 -5.335 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.960 -3.947 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.820 -5.353 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.103 -1.848 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.511 -3.954 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.789 -0.441 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 75 17.554 -0.382 -2.372 1.00 0.00 H new ATOM 1166 N TYR A 76 12.486 -5.774 2.612 1.00 0.00 N ATOM 1167 CA TYR A 76 11.476 -6.727 3.189 1.00 0.00 C ATOM 1168 C TYR A 76 10.465 -5.977 4.065 1.00 0.00 C ATOM 1169 O TYR A 76 10.718 -4.886 4.525 1.00 0.00 O ATOM 1170 CB TYR A 76 12.272 -7.706 4.076 1.00 0.00 C ATOM 1171 CG TYR A 76 12.988 -6.947 5.171 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.299 -6.594 6.335 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.340 -6.613 5.033 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.955 -5.906 7.361 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.999 -5.927 6.060 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.307 -5.573 7.224 1.00 0.00 C ATOM 1177 OH TYR A 76 14.958 -4.898 8.236 1.00 0.00 O ATOM 0 H TYR A 76 12.341 -4.796 2.861 1.00 0.00 H new ATOM 0 HA TYR A 76 10.926 -7.234 2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.599 -8.443 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.994 -8.254 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.256 -6.854 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.875 -6.884 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.419 -5.632 8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.043 -5.671 5.954 1.00 0.00 H new ATOM 0 HH TYR A 76 15.892 -4.746 7.980 1.00 0.00 H new ATOM 1187 N LEU A 77 9.354 -6.596 4.355 1.00 0.00 N ATOM 1188 CA LEU A 77 8.353 -5.961 5.266 1.00 0.00 C ATOM 1189 C LEU A 77 8.583 -6.582 6.646 1.00 0.00 C ATOM 1190 O LEU A 77 8.212 -6.047 7.673 1.00 0.00 O ATOM 1191 CB LEU A 77 6.977 -6.347 4.711 1.00 0.00 C ATOM 1192 CG LEU A 77 5.953 -5.263 5.070 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.996 -5.047 3.894 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.151 -5.701 6.298 1.00 0.00 C ATOM 0 H LEU A 77 9.093 -7.516 4.001 1.00 0.00 H new ATOM 0 HA LEU A 77 8.431 -4.876 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.031 -6.466 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.664 -7.307 5.122 1.00 0.00 H new ATOM 0 HG LEU A 77 6.478 -4.333 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.270 -4.276 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.562 -4.733 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.474 -5.978 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.424 -4.930 6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.630 -6.633 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.827 -5.853 7.139 1.00 0.00 H new ATOM 1206 N ALA A 78 9.265 -7.696 6.642 1.00 0.00 N ATOM 1207 CA ALA A 78 9.643 -8.406 7.884 1.00 0.00 C ATOM 1208 C ALA A 78 11.027 -9.004 7.629 1.00 0.00 C ATOM 1209 O ALA A 78 11.227 -9.712 6.661 1.00 0.00 O ATOM 1210 CB ALA A 78 8.591 -9.500 8.072 1.00 0.00 C ATOM 0 H ALA A 78 9.585 -8.155 5.789 1.00 0.00 H new ATOM 0 HA ALA A 78 9.681 -7.776 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.812 -10.066 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.605 -9.045 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.605 -10.170 7.213 1.00 0.00 H new ATOM 1216 N GLU A 79 11.993 -8.703 8.453 1.00 0.00 N ATOM 1217 CA GLU A 79 13.376 -9.232 8.219 1.00 0.00 C ATOM 1218 C GLU A 79 13.357 -10.738 7.949 1.00 0.00 C ATOM 1219 O GLU A 79 14.305 -11.293 7.428 1.00 0.00 O ATOM 1220 CB GLU A 79 14.143 -8.926 9.502 1.00 0.00 C ATOM 1221 CG GLU A 79 14.795 -7.550 9.384 1.00 0.00 C ATOM 1222 CD GLU A 79 15.781 -7.348 10.537 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.741 -8.097 10.608 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.559 -6.447 11.329 1.00 0.00 O ATOM 0 H GLU A 79 11.889 -8.114 9.279 1.00 0.00 H new ATOM 0 HA GLU A 79 13.837 -8.773 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.468 -8.949 10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.903 -9.688 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.314 -7.463 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.032 -6.772 9.404 1.00 0.00 H new ATOM 1231 N LYS A 80 12.284 -11.397 8.293 1.00 0.00 N ATOM 1232 CA LYS A 80 12.184 -12.872 8.053 1.00 0.00 C ATOM 1233 C LYS A 80 12.710 -13.225 6.656 1.00 0.00 C ATOM 1234 O LYS A 80 13.369 -14.228 6.464 1.00 0.00 O ATOM 1235 CB LYS A 80 10.690 -13.182 8.147 1.00 0.00 C ATOM 1236 CG LYS A 80 10.398 -13.918 9.456 1.00 0.00 C ATOM 1237 CD LYS A 80 8.956 -14.431 9.443 1.00 0.00 C ATOM 1238 CE LYS A 80 8.786 -15.508 10.516 1.00 0.00 C ATOM 1239 NZ LYS A 80 8.907 -16.801 9.787 1.00 0.00 N ATOM 0 H LYS A 80 11.465 -10.977 8.733 1.00 0.00 H new ATOM 0 HA LYS A 80 12.773 -13.445 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.113 -12.258 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.381 -13.793 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.090 -14.751 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.550 -13.249 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.265 -13.608 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.713 -14.839 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.549 -15.418 11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.819 -15.423 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.801 -17.589 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.164 -16.861 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.840 -16.857 9.332 1.00 0.00 H new ATOM 1253 N HIS A 81 12.428 -12.398 5.683 1.00 0.00 N ATOM 1254 CA HIS A 81 12.913 -12.668 4.299 1.00 0.00 C ATOM 1255 C HIS A 81 13.057 -11.341 3.562 1.00 0.00 C ATOM 1256 O HIS A 81 12.241 -10.452 3.716 1.00 0.00 O ATOM 1257 CB HIS A 81 11.830 -13.530 3.649 1.00 0.00 C ATOM 1258 CG HIS A 81 11.745 -14.853 4.359 1.00 0.00 C ATOM 1259 ND1 HIS A 81 12.801 -15.751 4.377 1.00 0.00 N ATOM 1260 CD2 HIS A 81 10.738 -15.445 5.081 1.00 0.00 C ATOM 1261 CE1 HIS A 81 12.409 -16.823 5.089 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.159 -16.688 5.540 1.00 0.00 N ATOM 0 H HIS A 81 11.880 -11.544 5.789 1.00 0.00 H new ATOM 0 HA HIS A 81 13.880 -13.170 4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.868 -13.019 3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.059 -13.686 2.595 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.766 -15.011 5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.029 -17.688 5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.627 -17.354 6.101 1.00 0.00 H new ATOM 1270 N LEU A 82 14.087 -11.178 2.778 1.00 0.00 N ATOM 1271 CA LEU A 82 14.256 -9.888 2.071 1.00 0.00 C ATOM 1272 C LEU A 82 14.926 -10.087 0.707 1.00 0.00 C ATOM 1273 O LEU A 82 15.816 -10.901 0.549 1.00 0.00 O ATOM 1274 CB LEU A 82 15.129 -9.044 3.013 1.00 0.00 C ATOM 1275 CG LEU A 82 16.526 -9.645 3.129 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.462 -8.616 3.765 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.491 -10.900 4.012 1.00 0.00 C ATOM 0 H LEU A 82 14.809 -11.876 2.601 1.00 0.00 H new ATOM 0 HA LEU A 82 13.303 -9.405 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.196 -8.023 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.666 -8.992 3.998 1.00 0.00 H new ATOM 0 HG LEU A 82 16.881 -9.916 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.463 -9.039 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.498 -7.723 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.093 -8.352 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.494 -11.320 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.133 -10.635 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.821 -11.637 3.570 1.00 0.00 H new ATOM 1289 N PHE A 83 14.498 -9.343 -0.278 1.00 0.00 N ATOM 1290 CA PHE A 83 15.099 -9.471 -1.635 1.00 0.00 C ATOM 1291 C PHE A 83 15.904 -8.210 -1.961 1.00 0.00 C ATOM 1292 O PHE A 83 16.287 -7.471 -1.076 1.00 0.00 O ATOM 1293 CB PHE A 83 13.908 -9.630 -2.582 1.00 0.00 C ATOM 1294 CG PHE A 83 13.521 -11.087 -2.646 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.962 -11.712 -1.523 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.728 -11.817 -3.822 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.609 -13.064 -1.579 1.00 0.00 C ATOM 1298 CE2 PHE A 83 13.373 -13.170 -3.878 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.813 -13.794 -2.757 1.00 0.00 C ATOM 0 H PHE A 83 13.754 -8.649 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 83 15.785 -10.314 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.066 -9.032 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.166 -9.265 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.804 -11.150 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.162 -11.336 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.179 -13.546 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 83 13.531 -13.733 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.538 -14.838 -2.800 1.00 0.00 H new ATOM 1309 N SER A 84 16.177 -7.958 -3.214 1.00 0.00 N ATOM 1310 CA SER A 84 16.973 -6.746 -3.567 1.00 0.00 C ATOM 1311 C SER A 84 16.076 -5.621 -4.105 1.00 0.00 C ATOM 1312 O SER A 84 16.562 -4.606 -4.564 1.00 0.00 O ATOM 1313 CB SER A 84 17.945 -7.216 -4.648 1.00 0.00 C ATOM 1314 OG SER A 84 18.553 -8.433 -4.236 1.00 0.00 O ATOM 0 H SER A 84 15.886 -8.535 -4.003 1.00 0.00 H new ATOM 0 HA SER A 84 17.483 -6.335 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.417 -7.361 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.707 -6.457 -4.823 1.00 0.00 H new ATOM 0 HG SER A 84 19.176 -8.738 -4.928 1.00 0.00 H new ATOM 1320 N THR A 85 14.775 -5.777 -4.047 1.00 0.00 N ATOM 1321 CA THR A 85 13.867 -4.693 -4.548 1.00 0.00 C ATOM 1322 C THR A 85 12.419 -4.968 -4.124 1.00 0.00 C ATOM 1323 O THR A 85 12.067 -6.079 -3.768 1.00 0.00 O ATOM 1324 CB THR A 85 13.965 -4.717 -6.080 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.267 -5.116 -6.488 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.663 -3.321 -6.626 1.00 0.00 C ATOM 0 H THR A 85 14.303 -6.602 -3.677 1.00 0.00 H new ATOM 0 HA THR A 85 14.157 -3.725 -4.139 1.00 0.00 H new ATOM 0 HB THR A 85 13.242 -5.433 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.928 -4.482 -6.139 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.731 -3.333 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.657 -3.024 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.385 -2.609 -6.225 1.00 0.00 H new ATOM 1334 N ILE A 86 11.569 -3.970 -4.173 1.00 0.00 N ATOM 1335 CA ILE A 86 10.146 -4.187 -3.784 1.00 0.00 C ATOM 1336 C ILE A 86 9.455 -5.144 -4.778 1.00 0.00 C ATOM 1337 O ILE A 86 8.876 -6.128 -4.360 1.00 0.00 O ATOM 1338 CB ILE A 86 9.509 -2.794 -3.799 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.841 -2.077 -2.486 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.987 -2.908 -3.938 1.00 0.00 C ATOM 1341 CD1 ILE A 86 11.022 -1.128 -2.699 1.00 0.00 C ATOM 0 H ILE A 86 11.801 -3.020 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 86 10.049 -4.653 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 86 9.902 -2.231 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.973 -1.519 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.084 -2.807 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.547 -1.911 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.744 -3.421 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.586 -3.474 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.254 -0.620 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.891 -1.697 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.763 -0.389 -3.458 1.00 0.00 H new ATOM 1353 N PRO A 87 9.531 -4.850 -6.065 1.00 0.00 N ATOM 1354 CA PRO A 87 8.895 -5.734 -7.071 1.00 0.00 C ATOM 1355 C PRO A 87 9.450 -7.152 -6.935 1.00 0.00 C ATOM 1356 O PRO A 87 8.736 -8.126 -7.075 1.00 0.00 O ATOM 1357 CB PRO A 87 9.309 -5.097 -8.400 1.00 0.00 C ATOM 1358 CG PRO A 87 10.170 -3.856 -8.102 1.00 0.00 C ATOM 1359 CD PRO A 87 10.237 -3.652 -6.583 1.00 0.00 C ATOM 0 HA PRO A 87 7.813 -5.820 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.870 -5.811 -9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.427 -4.816 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.173 -3.986 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.742 -2.976 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.266 -3.601 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.747 -2.728 -6.276 1.00 0.00 H new ATOM 1367 N GLU A 88 10.718 -7.271 -6.643 1.00 0.00 N ATOM 1368 CA GLU A 88 11.318 -8.623 -6.472 1.00 0.00 C ATOM 1369 C GLU A 88 10.633 -9.325 -5.299 1.00 0.00 C ATOM 1370 O GLU A 88 10.323 -10.497 -5.358 1.00 0.00 O ATOM 1371 CB GLU A 88 12.795 -8.371 -6.167 1.00 0.00 C ATOM 1372 CG GLU A 88 13.594 -9.654 -6.407 1.00 0.00 C ATOM 1373 CD GLU A 88 14.001 -9.734 -7.879 1.00 0.00 C ATOM 1374 OE1 GLU A 88 14.734 -8.863 -8.319 1.00 0.00 O ATOM 1375 OE2 GLU A 88 13.576 -10.667 -8.541 1.00 0.00 O ATOM 0 H GLU A 88 11.362 -6.490 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 88 11.199 -9.256 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.176 -7.569 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.913 -8.045 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.480 -9.667 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.995 -10.524 -6.136 1.00 0.00 H new ATOM 1382 N LEU A 89 10.381 -8.601 -4.239 1.00 0.00 N ATOM 1383 CA LEU A 89 9.698 -9.209 -3.056 1.00 0.00 C ATOM 1384 C LEU A 89 8.280 -9.645 -3.441 1.00 0.00 C ATOM 1385 O LEU A 89 7.902 -10.788 -3.272 1.00 0.00 O ATOM 1386 CB LEU A 89 9.642 -8.090 -2.010 1.00 0.00 C ATOM 1387 CG LEU A 89 10.524 -8.454 -0.816 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.939 -7.178 -0.083 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.741 -9.358 0.139 1.00 0.00 C ATOM 0 H LEU A 89 10.619 -7.614 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 89 10.220 -10.090 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.979 -7.151 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.614 -7.938 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 89 11.413 -8.978 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.568 -7.436 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.495 -6.533 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.050 -6.654 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.369 -9.618 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.852 -8.833 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.443 -10.267 -0.383 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.311 -3.829 -7.171 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.039 -2.831 -8.007 1.00 0.00 C ATOM 1664 C TYR A 106 -7.249 -1.515 -8.084 1.00 0.00 C ATOM 1665 O TYR A 106 -7.007 -0.891 -7.070 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.374 -2.611 -7.294 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.331 -1.919 -8.231 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.053 -0.627 -8.690 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.498 -2.571 -8.642 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.941 0.015 -9.560 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.388 -1.931 -9.512 1.00 0.00 C ATOM 1672 CZ TYR A 106 -12.109 -0.637 -9.972 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.986 -0.006 -10.829 1.00 0.00 O ATOM 0 HA TYR A 106 -8.175 -3.178 -9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.789 -3.566 -6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.226 -2.009 -6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.151 -0.124 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.712 -3.569 -8.288 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.725 1.013 -9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.290 -2.434 -9.829 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.744 -0.598 -11.015 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.872 -1.123 -9.284 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.114 0.138 -9.469 1.00 0.00 C ATOM 1685 C PRO A 107 -6.972 1.347 -9.095 1.00 0.00 C ATOM 1686 O PRO A 107 -7.414 2.097 -9.943 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.798 0.131 -10.966 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.402 -1.140 -11.593 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.171 -1.908 -10.508 1.00 0.00 C ATOM 0 HA PRO A 107 -5.224 0.204 -8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.210 1.020 -11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.720 0.155 -11.125 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.069 -0.876 -12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.614 -1.766 -12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.240 -1.943 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.829 -2.939 -10.422 1.00 0.00 H new