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= 0.00637 USER MOD Set 1.2: A 85 THR OG1 : rot -52:sc= -0.228! USER MOD Set 2.1: A 68 CYS SG : rot -118:sc= 0.405 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.0353 USER MOD Set 3.1: A 49 SER OG : rot 170:sc= 0.43 USER MOD Set 3.2: A 64 HIS : +bothHN:sc= -3.93 K(o=-3.5,f=-4.8!) USER MOD Set 4.1: A 21 GLN :FLIP amide:sc= 0 F(o=-2.5,f=-1.5) USER MOD Set 4.2: A 24 GLN :FLIP amide:sc= -1.53! C(o=-1.7!,f=-1.5!) USER MOD Set 5.1: A 15 LYS NZ :NH3+ 178:sc= 0.167 (180deg=0.541) USER MOD Set 5.2: A 17 MET CE :methyl -165:sc= -1.17 (180deg=-1.31) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0493 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.123 F(o=-0.76,f=-0.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -1.81! (180deg=-2.24) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.121 (180deg=-0.753) USER MOD Single : A 40 SER OG : rot 100:sc= 0.0248 USER MOD Single : A 41 SER OG : rot 180:sc= 0 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= -2.35! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 59 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -125:sc= 0.0714! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 72 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.31) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.16 F(o=-9.4!,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= -1.99 K(o=-2,f=-2.7) USER MOD Single : A 106 TYR OH : rot 180:sc=-8.75e-05 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.193 3.367 -11.964 1.00 0.00 N ATOM 151 CA GLU A 11 -3.719 4.270 -10.899 1.00 0.00 C ATOM 152 C GLU A 11 -3.019 3.978 -9.574 1.00 0.00 C ATOM 153 O GLU A 11 -2.584 4.875 -8.881 1.00 0.00 O ATOM 154 CB GLU A 11 -5.208 3.934 -10.766 1.00 0.00 C ATOM 155 CG GLU A 11 -5.972 5.177 -10.320 1.00 0.00 C ATOM 156 CD GLU A 11 -6.069 6.165 -11.483 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.356 5.726 -12.584 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.853 7.343 -11.253 1.00 0.00 O ATOM 0 HA GLU A 11 -3.553 5.318 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.598 3.577 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.347 3.130 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.970 4.900 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.466 5.643 -9.475 1.00 0.00 H new ATOM 165 N TRP A 12 -2.927 2.722 -9.219 1.00 0.00 N ATOM 166 CA TRP A 12 -2.288 2.328 -7.929 1.00 0.00 C ATOM 167 C TRP A 12 -0.974 3.074 -7.699 1.00 0.00 C ATOM 168 O TRP A 12 -0.558 3.270 -6.577 1.00 0.00 O ATOM 169 CB TRP A 12 -2.029 0.826 -8.043 1.00 0.00 C ATOM 170 CG TRP A 12 -1.187 0.544 -9.247 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.663 0.276 -10.484 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.265 0.496 -9.348 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.595 0.066 -11.339 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.615 0.192 -10.685 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.302 0.687 -8.419 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.946 0.080 -11.085 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.644 0.574 -8.817 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.966 0.271 -10.148 1.00 0.00 C ATOM 0 H TRP A 12 -3.273 1.942 -9.778 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.932 2.575 -7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.527 0.466 -7.145 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.975 0.290 -8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.706 0.233 -10.760 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.690 -0.155 -12.330 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.065 0.922 -7.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.187 -0.153 -12.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.433 0.721 -8.094 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.000 0.185 -10.449 1.00 0.00 H new ATOM 189 N TYR A 13 -0.314 3.487 -8.742 1.00 0.00 N ATOM 190 CA TYR A 13 0.976 4.209 -8.544 1.00 0.00 C ATOM 191 C TYR A 13 0.724 5.691 -8.259 1.00 0.00 C ATOM 192 O TYR A 13 0.048 6.372 -9.005 1.00 0.00 O ATOM 193 CB TYR A 13 1.754 4.043 -9.849 1.00 0.00 C ATOM 194 CG TYR A 13 3.161 4.551 -9.639 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.101 3.748 -8.981 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.519 5.828 -10.086 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.401 4.223 -8.772 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.821 6.301 -9.878 1.00 0.00 C ATOM 199 CZ TYR A 13 5.761 5.499 -9.220 1.00 0.00 C ATOM 200 OH TYR A 13 7.043 5.967 -9.015 1.00 0.00 O ATOM 0 H TYR A 13 -0.604 3.360 -9.711 1.00 0.00 H new ATOM 0 HA TYR A 13 1.529 3.810 -7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.771 2.995 -10.149 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.268 4.597 -10.652 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.823 2.763 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.793 6.448 -10.591 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.127 3.604 -8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.100 7.285 -10.225 1.00 0.00 H new ATOM 0 HH TYR A 13 7.125 6.869 -9.388 1.00 0.00 H new ATOM 210 N SER A 14 1.266 6.190 -7.179 1.00 0.00 N ATOM 211 CA SER A 14 1.068 7.626 -6.834 1.00 0.00 C ATOM 212 C SER A 14 2.377 8.224 -6.307 1.00 0.00 C ATOM 213 O SER A 14 3.062 7.629 -5.499 1.00 0.00 O ATOM 214 CB SER A 14 0.000 7.628 -5.744 1.00 0.00 C ATOM 215 OG SER A 14 -1.096 6.823 -6.159 1.00 0.00 O ATOM 0 H SER A 14 1.839 5.662 -6.520 1.00 0.00 H new ATOM 0 HA SER A 14 0.769 8.223 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.415 7.245 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.335 8.647 -5.549 1.00 0.00 H new ATOM 0 HG SER A 14 -1.783 6.821 -5.460 1.00 0.00 H new ATOM 221 N LYS A 15 2.731 9.387 -6.776 1.00 0.00 N ATOM 222 CA LYS A 15 4.006 10.025 -6.324 1.00 0.00 C ATOM 223 C LYS A 15 3.932 10.494 -4.855 1.00 0.00 C ATOM 224 O LYS A 15 3.478 11.572 -4.542 1.00 0.00 O ATOM 225 CB LYS A 15 4.240 11.196 -7.302 1.00 0.00 C ATOM 226 CG LYS A 15 3.434 12.443 -6.904 1.00 0.00 C ATOM 227 CD LYS A 15 1.976 12.065 -6.641 1.00 0.00 C ATOM 228 CE LYS A 15 1.286 13.189 -5.867 1.00 0.00 C ATOM 229 NZ LYS A 15 1.315 12.732 -4.449 1.00 0.00 N ATOM 0 H LYS A 15 2.194 9.927 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 15 4.837 9.320 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.302 11.442 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.960 10.889 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.867 12.896 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.487 13.188 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.459 11.889 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.927 11.136 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.810 14.137 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.264 13.342 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.891 13.461 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.775 11.848 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.300 12.568 -4.157 1.00 0.00 H new ATOM 243 N HIS A 16 4.395 9.677 -3.953 1.00 0.00 N ATOM 244 CA HIS A 16 4.385 10.042 -2.505 1.00 0.00 C ATOM 245 C HIS A 16 2.961 10.320 -2.029 1.00 0.00 C ATOM 246 O HIS A 16 2.663 11.378 -1.509 1.00 0.00 O ATOM 247 CB HIS A 16 5.252 11.298 -2.393 1.00 0.00 C ATOM 248 CG HIS A 16 6.652 10.987 -2.848 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.340 11.317 -3.989 1.00 0.00 N flip ATOM 250 CD2 HIS A 16 7.530 10.241 -2.078 1.00 0.00 C flip ATOM 251 CE1 HIS A 16 8.624 10.783 -3.932 1.00 0.00 C flip ATOM 252 NE2 HIS A 16 8.687 10.145 -2.760 1.00 0.00 N flip ATOM 0 H HIS A 16 4.786 8.758 -4.158 1.00 0.00 H new ATOM 0 HA HIS A 16 4.768 9.234 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.831 12.098 -3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.264 11.653 -1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.324 9.814 -1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.403 10.867 -4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.511 9.646 -2.423 1.00 0.00 H new ATOM 260 N MET A 17 2.084 9.370 -2.194 1.00 0.00 N ATOM 261 CA MET A 17 0.677 9.567 -1.739 1.00 0.00 C ATOM 262 C MET A 17 0.585 9.321 -0.231 1.00 0.00 C ATOM 263 O MET A 17 0.986 8.287 0.266 1.00 0.00 O ATOM 264 CB MET A 17 -0.140 8.525 -2.506 1.00 0.00 C ATOM 265 CG MET A 17 -1.618 8.640 -2.117 1.00 0.00 C ATOM 266 SD MET A 17 -2.574 9.264 -3.523 1.00 0.00 S ATOM 267 CE MET A 17 -1.680 10.824 -3.733 1.00 0.00 C ATOM 0 H MET A 17 2.279 8.466 -2.624 1.00 0.00 H new ATOM 0 HA MET A 17 0.314 10.578 -1.925 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.024 8.675 -3.579 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.228 7.524 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.000 7.666 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.728 9.310 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.259 11.493 -4.370 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.529 11.290 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.713 10.630 -4.196 1.00 0.00 H new ATOM 277 N THR A 18 0.074 10.275 0.501 1.00 0.00 N ATOM 278 CA THR A 18 -0.031 10.113 1.982 1.00 0.00 C ATOM 279 C THR A 18 -0.840 8.864 2.346 1.00 0.00 C ATOM 280 O THR A 18 -1.889 8.603 1.789 1.00 0.00 O ATOM 281 CB THR A 18 -0.751 11.371 2.469 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.250 12.504 1.773 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.516 11.546 3.969 1.00 0.00 C ATOM 0 H THR A 18 -0.276 11.161 0.137 1.00 0.00 H new ATOM 0 HA THR A 18 0.950 9.991 2.442 1.00 0.00 H new ATOM 0 HB THR A 18 -1.820 11.273 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.713 13.310 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.029 12.443 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.903 10.677 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.553 11.643 4.161 1.00 0.00 H new ATOM 291 N ARG A 19 -0.356 8.099 3.292 1.00 0.00 N ATOM 292 CA ARG A 19 -1.085 6.868 3.725 1.00 0.00 C ATOM 293 C ARG A 19 -2.548 7.201 4.021 1.00 0.00 C ATOM 294 O ARG A 19 -3.458 6.449 3.715 1.00 0.00 O ATOM 295 CB ARG A 19 -0.375 6.434 5.015 1.00 0.00 C ATOM 296 CG ARG A 19 -0.650 7.455 6.135 1.00 0.00 C ATOM 297 CD ARG A 19 0.233 7.140 7.346 1.00 0.00 C ATOM 298 NE ARG A 19 -0.671 6.463 8.318 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.218 6.098 9.485 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.467 6.938 10.211 1.00 0.00 N ATOM 301 NH2 ARG A 19 -0.448 4.892 9.927 1.00 0.00 N ATOM 0 H ARG A 19 0.519 8.276 3.786 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.078 6.090 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.724 5.447 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.698 6.353 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.448 8.465 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.701 7.422 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.068 6.496 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.659 8.049 7.771 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.644 6.285 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.648 7.881 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.821 6.652 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.982 4.234 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.093 4.607 10.840 1.00 0.00 H new ATOM 315 N SER A 20 -2.764 8.331 4.625 1.00 0.00 N ATOM 316 CA SER A 20 -4.140 8.755 4.973 1.00 0.00 C ATOM 317 C SER A 20 -4.914 9.080 3.697 1.00 0.00 C ATOM 318 O SER A 20 -6.069 8.731 3.559 1.00 0.00 O ATOM 319 CB SER A 20 -3.930 9.982 5.861 1.00 0.00 C ATOM 320 OG SER A 20 -4.735 11.061 5.400 1.00 0.00 O ATOM 0 H SER A 20 -2.032 8.988 4.896 1.00 0.00 H new ATOM 0 HA SER A 20 -4.726 7.992 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.186 9.742 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.879 10.272 5.852 1.00 0.00 H new ATOM 0 HG SER A 20 -4.596 11.842 5.975 1.00 0.00 H new ATOM 326 N GLN A 21 -4.279 9.721 2.749 1.00 0.00 N ATOM 327 CA GLN A 21 -4.979 10.032 1.474 1.00 0.00 C ATOM 328 C GLN A 21 -5.459 8.729 0.843 1.00 0.00 C ATOM 329 O GLN A 21 -6.571 8.637 0.366 1.00 0.00 O ATOM 330 CB GLN A 21 -3.935 10.716 0.590 1.00 0.00 C ATOM 331 CG GLN A 21 -3.757 12.167 1.041 1.00 0.00 C ATOM 332 CD GLN A 21 -4.595 13.087 0.152 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.832 12.769 -0.110 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.118 14.105 -0.310 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.312 10.039 2.805 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.850 10.672 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.985 10.185 0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.249 10.684 -0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.061 12.275 2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.706 12.449 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.150 14.354 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.685 14.711 -0.903 1.00 0.00 H new ATOM 343 N ALA A 22 -4.635 7.713 0.860 1.00 0.00 N ATOM 344 CA ALA A 22 -5.059 6.406 0.285 1.00 0.00 C ATOM 345 C ALA A 22 -6.259 5.886 1.065 1.00 0.00 C ATOM 346 O ALA A 22 -7.252 5.482 0.497 1.00 0.00 O ATOM 347 CB ALA A 22 -3.860 5.472 0.460 1.00 0.00 C ATOM 0 H ALA A 22 -3.691 7.734 1.246 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.349 6.483 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.103 4.489 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.000 5.880 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.621 5.381 1.520 1.00 0.00 H new ATOM 353 N GLU A 23 -6.174 5.905 2.365 1.00 0.00 N ATOM 354 CA GLU A 23 -7.310 5.420 3.197 1.00 0.00 C ATOM 355 C GLU A 23 -8.589 6.184 2.860 1.00 0.00 C ATOM 356 O GLU A 23 -9.627 5.593 2.632 1.00 0.00 O ATOM 357 CB GLU A 23 -6.895 5.694 4.644 1.00 0.00 C ATOM 358 CG GLU A 23 -5.972 4.580 5.130 1.00 0.00 C ATOM 359 CD GLU A 23 -5.346 4.975 6.470 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.164 6.161 6.691 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.057 4.084 7.252 1.00 0.00 O ATOM 0 H GLU A 23 -5.364 6.237 2.889 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.517 4.364 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.388 6.656 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.777 5.753 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.533 3.652 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.190 4.395 4.393 1.00 0.00 H new ATOM 368 N GLN A 24 -8.536 7.489 2.837 1.00 0.00 N ATOM 369 CA GLN A 24 -9.768 8.259 2.527 1.00 0.00 C ATOM 370 C GLN A 24 -10.193 8.039 1.077 1.00 0.00 C ATOM 371 O GLN A 24 -11.348 7.774 0.813 1.00 0.00 O ATOM 372 CB GLN A 24 -9.444 9.733 2.800 1.00 0.00 C ATOM 373 CG GLN A 24 -8.308 10.217 1.898 1.00 0.00 C ATOM 374 CD GLN A 24 -7.982 11.674 2.233 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.278 12.611 1.374 1.00 0.00 O flip ATOM 376 NE2 GLN A 24 -7.454 11.963 3.289 1.00 0.00 N flip ATOM 0 H GLN A 24 -7.702 8.047 3.018 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.604 7.931 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.332 10.342 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.163 9.860 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.425 9.593 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.597 10.128 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.223 11.231 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.242 12.937 3.504 1.00 0.00 H new ATOM 385 N LEU A 25 -9.295 8.126 0.127 1.00 0.00 N ATOM 386 CA LEU A 25 -9.737 7.895 -1.275 1.00 0.00 C ATOM 387 C LEU A 25 -10.109 6.422 -1.452 1.00 0.00 C ATOM 388 O LEU A 25 -10.884 6.074 -2.322 1.00 0.00 O ATOM 389 CB LEU A 25 -8.577 8.307 -2.189 1.00 0.00 C ATOM 390 CG LEU A 25 -7.353 7.438 -1.926 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.436 6.178 -2.789 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.089 8.228 -2.288 1.00 0.00 C ATOM 0 H LEU A 25 -8.306 8.340 0.257 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.620 8.482 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.878 8.214 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.329 9.355 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.317 7.155 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.563 5.553 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.339 5.623 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.465 6.459 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.209 7.612 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.122 8.505 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.036 9.130 -1.678 1.00 0.00 H new ATOM 404 N LEU A 26 -9.597 5.555 -0.613 1.00 0.00 N ATOM 405 CA LEU A 26 -9.972 4.119 -0.726 1.00 0.00 C ATOM 406 C LEU A 26 -11.380 3.944 -0.159 1.00 0.00 C ATOM 407 O LEU A 26 -12.298 3.558 -0.856 1.00 0.00 O ATOM 408 CB LEU A 26 -8.952 3.347 0.115 1.00 0.00 C ATOM 409 CG LEU A 26 -7.824 2.817 -0.781 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.670 2.302 0.090 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.354 1.673 -1.658 1.00 0.00 C ATOM 0 H LEU A 26 -8.943 5.780 0.136 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.969 3.761 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.539 3.996 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.442 2.518 0.625 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.464 3.625 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.871 1.927 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.289 3.116 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.029 1.498 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.551 1.299 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.719 0.867 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.169 2.040 -2.282 1.00 0.00 H new ATOM 423 N LYS A 27 -11.565 4.247 1.104 1.00 0.00 N ATOM 424 CA LYS A 27 -12.923 4.118 1.709 1.00 0.00 C ATOM 425 C LYS A 27 -13.934 4.971 0.934 1.00 0.00 C ATOM 426 O LYS A 27 -15.066 4.578 0.727 1.00 0.00 O ATOM 427 CB LYS A 27 -12.773 4.648 3.136 1.00 0.00 C ATOM 428 CG LYS A 27 -13.363 3.640 4.126 1.00 0.00 C ATOM 429 CD LYS A 27 -14.144 4.384 5.211 1.00 0.00 C ATOM 430 CE LYS A 27 -14.701 3.378 6.220 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.905 2.800 5.562 1.00 0.00 N ATOM 0 H LYS A 27 -10.836 4.576 1.737 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.285 3.090 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.721 4.820 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.281 5.608 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.019 2.944 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.566 3.049 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.495 5.099 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.958 4.954 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.969 2.605 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.960 3.864 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.753 3.051 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.990 3.180 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.814 1.765 5.519 1.00 0.00 H new ATOM 445 N GLN A 28 -13.536 6.144 0.520 1.00 0.00 N ATOM 446 CA GLN A 28 -14.475 7.038 -0.227 1.00 0.00 C ATOM 447 C GLN A 28 -14.840 6.452 -1.598 1.00 0.00 C ATOM 448 O GLN A 28 -15.978 6.528 -2.021 1.00 0.00 O ATOM 449 CB GLN A 28 -13.725 8.360 -0.393 1.00 0.00 C ATOM 450 CG GLN A 28 -14.698 9.438 -0.875 1.00 0.00 C ATOM 451 CD GLN A 28 -14.000 10.800 -0.866 1.00 0.00 C ATOM 452 OE1 GLN A 28 -12.981 10.971 -0.225 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.509 11.784 -1.556 1.00 0.00 N ATOM 0 H GLN A 28 -12.601 6.524 0.666 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.416 7.160 0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.275 8.657 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.911 8.242 -1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.047 9.204 -1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.577 9.464 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.364 11.641 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.052 12.696 -1.557 1.00 0.00 H new ATOM 462 N GLU A 29 -13.901 5.868 -2.301 1.00 0.00 N ATOM 463 CA GLU A 29 -14.237 5.291 -3.638 1.00 0.00 C ATOM 464 C GLU A 29 -15.080 4.029 -3.443 1.00 0.00 C ATOM 465 O GLU A 29 -16.015 3.777 -4.178 1.00 0.00 O ATOM 466 CB GLU A 29 -12.890 4.987 -4.309 1.00 0.00 C ATOM 467 CG GLU A 29 -13.086 4.682 -5.804 1.00 0.00 C ATOM 468 CD GLU A 29 -13.996 5.731 -6.450 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.203 5.569 -6.373 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.469 6.677 -7.012 1.00 0.00 O ATOM 0 H GLU A 29 -12.928 5.767 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.823 5.968 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.219 5.838 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.417 4.137 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.120 4.670 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.521 3.690 -5.925 1.00 0.00 H new ATOM 477 N GLY A 30 -14.781 3.258 -2.431 1.00 0.00 N ATOM 478 CA GLY A 30 -15.589 2.042 -2.155 1.00 0.00 C ATOM 479 C GLY A 30 -15.084 0.841 -2.958 1.00 0.00 C ATOM 480 O GLY A 30 -15.857 0.003 -3.381 1.00 0.00 O ATOM 0 H GLY A 30 -14.009 3.421 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.550 1.812 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.633 2.234 -2.402 1.00 0.00 H new ATOM 484 N LYS A 31 -13.799 0.734 -3.161 1.00 0.00 N ATOM 485 CA LYS A 31 -13.261 -0.432 -3.925 1.00 0.00 C ATOM 486 C LYS A 31 -12.669 -1.456 -2.960 1.00 0.00 C ATOM 487 O LYS A 31 -11.579 -1.270 -2.453 1.00 0.00 O ATOM 488 CB LYS A 31 -12.147 0.136 -4.806 1.00 0.00 C ATOM 489 CG LYS A 31 -12.626 1.417 -5.502 1.00 0.00 C ATOM 490 CD LYS A 31 -13.919 1.143 -6.277 1.00 0.00 C ATOM 491 CE LYS A 31 -13.643 0.139 -7.402 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.611 -0.973 -7.177 1.00 0.00 N ATOM 0 H LYS A 31 -13.099 1.400 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.038 -0.926 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.267 0.350 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.850 -0.602 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.795 2.200 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.855 1.781 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.681 0.750 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.309 2.072 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.787 0.595 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.615 -0.220 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.727 -1.515 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.252 -1.600 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.530 -0.580 -6.888 1.00 0.00 H new ATOM 506 N GLU A 32 -13.354 -2.537 -2.697 1.00 0.00 N ATOM 507 CA GLU A 32 -12.768 -3.536 -1.760 1.00 0.00 C ATOM 508 C GLU A 32 -11.521 -4.142 -2.383 1.00 0.00 C ATOM 509 O GLU A 32 -11.521 -4.560 -3.525 1.00 0.00 O ATOM 510 CB GLU A 32 -13.817 -4.618 -1.498 1.00 0.00 C ATOM 511 CG GLU A 32 -14.452 -5.075 -2.817 1.00 0.00 C ATOM 512 CD GLU A 32 -15.913 -4.624 -2.867 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.176 -3.493 -2.494 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.744 -5.418 -3.277 1.00 0.00 O ATOM 0 H GLU A 32 -14.271 -2.768 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.487 -3.064 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.355 -5.468 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.587 -4.233 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.903 -4.657 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.393 -6.160 -2.904 1.00 0.00 H new ATOM 521 N GLY A 33 -10.457 -4.174 -1.645 1.00 0.00 N ATOM 522 CA GLY A 33 -9.199 -4.727 -2.179 1.00 0.00 C ATOM 523 C GLY A 33 -8.494 -3.665 -3.030 1.00 0.00 C ATOM 524 O GLY A 33 -7.559 -3.964 -3.741 1.00 0.00 O ATOM 0 H GLY A 33 -10.407 -3.836 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.551 -5.041 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.405 -5.612 -2.781 1.00 0.00 H new ATOM 528 N GLY A 34 -8.923 -2.419 -2.961 1.00 0.00 N ATOM 529 CA GLY A 34 -8.253 -1.359 -3.768 1.00 0.00 C ATOM 530 C GLY A 34 -6.755 -1.430 -3.509 1.00 0.00 C ATOM 531 O GLY A 34 -6.330 -1.802 -2.435 1.00 0.00 O ATOM 0 H GLY A 34 -9.701 -2.101 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.461 -1.502 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.638 -0.376 -3.497 1.00 0.00 H new ATOM 535 N PHE A 35 -5.956 -1.119 -4.491 1.00 0.00 N ATOM 536 CA PHE A 35 -4.479 -1.216 -4.298 1.00 0.00 C ATOM 537 C PHE A 35 -3.759 0.062 -4.748 1.00 0.00 C ATOM 538 O PHE A 35 -3.900 0.506 -5.870 1.00 0.00 O ATOM 539 CB PHE A 35 -4.089 -2.398 -5.182 1.00 0.00 C ATOM 540 CG PHE A 35 -2.644 -2.762 -4.965 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.637 -2.032 -5.601 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.315 -3.849 -4.147 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.295 -2.388 -5.421 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.973 -4.203 -3.962 1.00 0.00 C ATOM 545 CZ PHE A 35 0.037 -3.474 -4.601 1.00 0.00 C ATOM 0 H PHE A 35 -6.257 -0.804 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.202 -1.345 -3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.724 -3.254 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.254 -2.147 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.894 -1.193 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.095 -4.414 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.484 -1.826 -5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.717 -5.038 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.072 -3.749 -4.462 1.00 0.00 H new ATOM 555 N ILE A 36 -2.968 0.641 -3.878 1.00 0.00 N ATOM 556 CA ILE A 36 -2.210 1.876 -4.244 1.00 0.00 C ATOM 557 C ILE A 36 -0.741 1.711 -3.839 1.00 0.00 C ATOM 558 O ILE A 36 -0.401 0.841 -3.063 1.00 0.00 O ATOM 559 CB ILE A 36 -2.845 3.012 -3.436 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.325 3.153 -3.803 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.112 4.323 -3.745 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.954 4.297 -2.994 1.00 0.00 C ATOM 0 H ILE A 36 -2.815 0.309 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.248 2.075 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.764 2.786 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.427 3.351 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.850 2.220 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.561 5.134 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.061 4.225 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.193 4.543 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.007 4.394 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.866 4.081 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.436 5.229 -3.219 1.00 0.00 H new ATOM 574 N VAL A 37 0.127 2.546 -4.346 1.00 0.00 N ATOM 575 CA VAL A 37 1.569 2.444 -3.977 1.00 0.00 C ATOM 576 C VAL A 37 2.241 3.815 -4.089 1.00 0.00 C ATOM 577 O VAL A 37 1.774 4.688 -4.794 1.00 0.00 O ATOM 578 CB VAL A 37 2.190 1.471 -4.982 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.680 1.303 -4.672 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.501 0.110 -4.879 1.00 0.00 C ATOM 0 H VAL A 37 -0.101 3.295 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 37 1.697 2.099 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 37 2.063 1.867 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.124 0.610 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.178 2.270 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.799 0.909 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.947 -0.579 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.625 -0.285 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.439 0.223 -5.096 1.00 0.00 H new ATOM 590 N ARG A 38 3.337 4.007 -3.403 1.00 0.00 N ATOM 591 CA ARG A 38 4.043 5.320 -3.478 1.00 0.00 C ATOM 592 C ARG A 38 5.513 5.159 -3.082 1.00 0.00 C ATOM 593 O ARG A 38 5.877 4.253 -2.357 1.00 0.00 O ATOM 594 CB ARG A 38 3.311 6.232 -2.488 1.00 0.00 C ATOM 595 CG ARG A 38 3.354 5.622 -1.082 1.00 0.00 C ATOM 596 CD ARG A 38 4.628 6.078 -0.363 1.00 0.00 C ATOM 597 NE ARG A 38 4.156 6.676 0.917 1.00 0.00 N ATOM 598 CZ ARG A 38 4.921 7.504 1.572 1.00 0.00 C ATOM 599 NH1 ARG A 38 6.040 7.081 2.098 1.00 0.00 N ATOM 600 NH2 ARG A 38 4.571 8.753 1.703 1.00 0.00 N ATOM 0 H ARG A 38 3.773 3.313 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 38 4.033 5.732 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.774 7.219 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.276 6.368 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.475 5.928 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.330 4.534 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.301 5.240 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.179 6.806 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 38 3.234 6.438 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.314 6.104 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.639 7.728 2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.698 9.084 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.171 9.400 2.216 1.00 0.00 H new ATOM 614 N ASP A 39 6.360 6.033 -3.560 1.00 0.00 N ATOM 615 CA ASP A 39 7.813 5.938 -3.221 1.00 0.00 C ATOM 616 C ASP A 39 8.076 6.496 -1.818 1.00 0.00 C ATOM 617 O ASP A 39 7.302 7.272 -1.293 1.00 0.00 O ATOM 618 CB ASP A 39 8.521 6.789 -4.276 1.00 0.00 C ATOM 619 CG ASP A 39 9.903 6.201 -4.564 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.843 6.593 -3.894 1.00 0.00 O ATOM 621 OD2 ASP A 39 9.999 5.370 -5.453 1.00 0.00 O ATOM 0 H ASP A 39 6.109 6.810 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 39 8.166 4.907 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.929 6.819 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.617 7.816 -3.925 1.00 0.00 H new ATOM 626 N SER A 40 9.167 6.106 -1.211 1.00 0.00 N ATOM 627 CA SER A 40 9.488 6.612 0.156 1.00 0.00 C ATOM 628 C SER A 40 10.622 7.644 0.085 1.00 0.00 C ATOM 629 O SER A 40 10.754 8.360 -0.888 1.00 0.00 O ATOM 630 CB SER A 40 9.926 5.374 0.940 1.00 0.00 C ATOM 631 OG SER A 40 9.856 5.652 2.333 1.00 0.00 O ATOM 0 H SER A 40 9.850 5.458 -1.604 1.00 0.00 H new ATOM 0 HA SER A 40 8.640 7.110 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.285 4.528 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.943 5.095 0.664 1.00 0.00 H new ATOM 0 HG SER A 40 9.030 5.274 2.701 1.00 0.00 H new ATOM 637 N SER A 41 11.441 7.727 1.104 1.00 0.00 N ATOM 638 CA SER A 41 12.558 8.718 1.082 1.00 0.00 C ATOM 639 C SER A 41 13.742 8.211 1.913 1.00 0.00 C ATOM 640 O SER A 41 14.852 8.112 1.429 1.00 0.00 O ATOM 641 CB SER A 41 11.973 9.985 1.703 1.00 0.00 C ATOM 642 OG SER A 41 12.971 10.998 1.728 1.00 0.00 O ATOM 0 H SER A 41 11.384 7.154 1.946 1.00 0.00 H new ATOM 0 HA SER A 41 12.933 8.891 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.111 10.322 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.621 9.780 2.714 1.00 0.00 H new ATOM 0 HG SER A 41 12.599 11.814 2.124 1.00 0.00 H new ATOM 648 N LYS A 42 13.514 7.891 3.160 1.00 0.00 N ATOM 649 CA LYS A 42 14.628 7.393 4.023 1.00 0.00 C ATOM 650 C LYS A 42 15.296 6.176 3.377 1.00 0.00 C ATOM 651 O LYS A 42 16.431 6.234 2.944 1.00 0.00 O ATOM 652 CB LYS A 42 13.963 7.001 5.344 1.00 0.00 C ATOM 653 CG LYS A 42 13.411 8.252 6.030 1.00 0.00 C ATOM 654 CD LYS A 42 12.484 7.842 7.175 1.00 0.00 C ATOM 655 CE LYS A 42 12.103 9.079 7.991 1.00 0.00 C ATOM 656 NZ LYS A 42 12.029 8.601 9.401 1.00 0.00 N ATOM 0 H LYS A 42 12.605 7.953 3.619 1.00 0.00 H new ATOM 0 HA LYS A 42 15.406 8.143 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.158 6.289 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.685 6.506 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.230 8.861 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.868 8.864 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.588 7.365 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.979 7.110 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.845 9.869 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.148 9.490 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.772 9.394 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.309 7.854 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.954 8.221 9.688 1.00 0.00 H new ATOM 670 N ALA A 43 14.596 5.076 3.305 1.00 0.00 N ATOM 671 CA ALA A 43 15.181 3.852 2.680 1.00 0.00 C ATOM 672 C ALA A 43 14.958 3.872 1.171 1.00 0.00 C ATOM 673 O ALA A 43 15.554 3.107 0.436 1.00 0.00 O ATOM 674 CB ALA A 43 14.407 2.683 3.289 1.00 0.00 C ATOM 0 H ALA A 43 13.643 4.971 3.652 1.00 0.00 H new ATOM 0 HA ALA A 43 16.254 3.782 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.781 1.745 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.540 2.683 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.348 2.786 3.053 1.00 0.00 H new ATOM 680 N GLY A 44 14.074 4.709 0.706 1.00 0.00 N ATOM 681 CA GLY A 44 13.783 4.737 -0.749 1.00 0.00 C ATOM 682 C GLY A 44 12.989 3.477 -1.078 1.00 0.00 C ATOM 683 O GLY A 44 13.052 2.951 -2.173 1.00 0.00 O ATOM 0 H GLY A 44 13.543 5.372 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.213 5.629 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.708 4.770 -1.325 1.00 0.00 H new ATOM 687 N LYS A 45 12.244 2.985 -0.120 1.00 0.00 N ATOM 688 CA LYS A 45 11.445 1.752 -0.345 1.00 0.00 C ATOM 689 C LYS A 45 10.063 2.118 -0.894 1.00 0.00 C ATOM 690 O LYS A 45 9.743 3.279 -1.059 1.00 0.00 O ATOM 691 CB LYS A 45 11.322 1.096 1.034 1.00 0.00 C ATOM 692 CG LYS A 45 10.522 2.002 1.976 1.00 0.00 C ATOM 693 CD LYS A 45 11.130 1.946 3.379 1.00 0.00 C ATOM 694 CE LYS A 45 11.034 3.326 4.034 1.00 0.00 C ATOM 695 NZ LYS A 45 11.318 3.086 5.476 1.00 0.00 N ATOM 0 H LYS A 45 12.158 3.390 0.812 1.00 0.00 H new ATOM 0 HA LYS A 45 11.910 1.083 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.830 0.128 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.313 0.912 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.530 3.027 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.480 1.683 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.605 1.207 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.172 1.630 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.753 4.020 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.045 3.762 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.271 3.987 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.613 2.427 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.269 2.677 5.579 1.00 0.00 H new ATOM 709 N TYR A 46 9.241 1.143 -1.173 1.00 0.00 N ATOM 710 CA TYR A 46 7.880 1.450 -1.707 1.00 0.00 C ATOM 711 C TYR A 46 6.810 1.077 -0.674 1.00 0.00 C ATOM 712 O TYR A 46 7.024 0.239 0.182 1.00 0.00 O ATOM 713 CB TYR A 46 7.731 0.589 -2.971 1.00 0.00 C ATOM 714 CG TYR A 46 8.886 0.827 -3.931 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.625 2.018 -3.879 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.212 -0.151 -4.881 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.684 2.227 -4.771 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.272 0.060 -5.772 1.00 0.00 C ATOM 719 CZ TYR A 46 11.007 1.248 -5.717 1.00 0.00 C ATOM 720 OH TYR A 46 12.051 1.455 -6.596 1.00 0.00 O ATOM 0 H TYR A 46 9.450 0.152 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 46 7.758 2.511 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.694 -0.465 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.788 0.823 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.377 2.775 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.645 -1.069 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.252 3.145 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.522 -0.696 -6.502 1.00 0.00 H new ATOM 0 HH TYR A 46 12.142 0.677 -7.185 1.00 0.00 H new ATOM 730 N THR A 47 5.655 1.689 -0.754 1.00 0.00 N ATOM 731 CA THR A 47 4.565 1.366 0.216 1.00 0.00 C ATOM 732 C THR A 47 3.281 1.037 -0.547 1.00 0.00 C ATOM 733 O THR A 47 2.883 1.760 -1.436 1.00 0.00 O ATOM 734 CB THR A 47 4.378 2.631 1.063 1.00 0.00 C ATOM 735 OG1 THR A 47 5.566 2.883 1.800 1.00 0.00 O ATOM 736 CG2 THR A 47 3.203 2.442 2.035 1.00 0.00 C ATOM 0 H THR A 47 5.420 2.398 -1.449 1.00 0.00 H new ATOM 0 HA THR A 47 4.807 0.504 0.838 1.00 0.00 H new ATOM 0 HB THR A 47 4.166 3.475 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.450 3.692 2.341 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.077 3.345 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.291 2.250 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.407 1.597 2.692 1.00 0.00 H new ATOM 744 N VAL A 48 2.639 -0.051 -0.211 1.00 0.00 N ATOM 745 CA VAL A 48 1.383 -0.429 -0.926 1.00 0.00 C ATOM 746 C VAL A 48 0.155 -0.136 -0.052 1.00 0.00 C ATOM 747 O VAL A 48 0.024 -0.648 1.039 1.00 0.00 O ATOM 748 CB VAL A 48 1.520 -1.931 -1.180 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.228 -2.473 -1.793 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.682 -2.179 -2.144 1.00 0.00 C ATOM 0 H VAL A 48 2.929 -0.694 0.526 1.00 0.00 H new ATOM 0 HA VAL A 48 1.246 0.134 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 48 1.711 -2.440 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.331 -3.543 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.601 -2.298 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.032 -1.965 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.781 -3.249 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.489 -1.667 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.605 -1.798 -1.707 1.00 0.00 H new ATOM 760 N SER A 49 -0.748 0.678 -0.533 1.00 0.00 N ATOM 761 CA SER A 49 -1.971 1.004 0.264 1.00 0.00 C ATOM 762 C SER A 49 -3.193 0.292 -0.322 1.00 0.00 C ATOM 763 O SER A 49 -3.614 0.583 -1.423 1.00 0.00 O ATOM 764 CB SER A 49 -2.134 2.516 0.128 1.00 0.00 C ATOM 765 OG SER A 49 -1.580 3.155 1.271 1.00 0.00 O ATOM 0 H SER A 49 -0.693 1.132 -1.444 1.00 0.00 H new ATOM 0 HA SER A 49 -1.881 0.686 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.636 2.867 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.189 2.772 0.030 1.00 0.00 H new ATOM 0 HG SER A 49 -1.537 4.122 1.116 1.00 0.00 H new ATOM 771 N VAL A 50 -3.771 -0.635 0.398 1.00 0.00 N ATOM 772 CA VAL A 50 -4.968 -1.348 -0.146 1.00 0.00 C ATOM 773 C VAL A 50 -6.135 -1.292 0.849 1.00 0.00 C ATOM 774 O VAL A 50 -5.931 -1.314 2.049 1.00 0.00 O ATOM 775 CB VAL A 50 -4.517 -2.796 -0.351 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.412 -2.847 -1.407 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.986 -3.363 0.969 1.00 0.00 C ATOM 0 H VAL A 50 -3.471 -0.927 1.328 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.320 -0.892 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.367 -3.391 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.093 -3.879 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.790 -2.450 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.564 -2.248 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.666 -4.394 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.139 -2.766 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.774 -3.333 1.721 1.00 0.00 H new ATOM 787 N PHE A 51 -7.360 -1.219 0.373 1.00 0.00 N ATOM 788 CA PHE A 51 -8.513 -1.169 1.332 1.00 0.00 C ATOM 789 C PHE A 51 -9.648 -2.094 0.883 1.00 0.00 C ATOM 790 O PHE A 51 -9.785 -2.393 -0.282 1.00 0.00 O ATOM 791 CB PHE A 51 -8.966 0.300 1.334 1.00 0.00 C ATOM 792 CG PHE A 51 -10.472 0.416 1.181 1.00 0.00 C ATOM 793 CD1 PHE A 51 -11.072 0.202 -0.066 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.263 0.746 2.287 1.00 0.00 C ATOM 795 CE1 PHE A 51 -12.461 0.316 -0.202 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.649 0.859 2.149 1.00 0.00 C ATOM 797 CZ PHE A 51 -13.249 0.644 0.905 1.00 0.00 C ATOM 0 H PHE A 51 -7.607 -1.192 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.227 -1.509 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.656 0.777 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.474 0.835 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.464 -0.051 -0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.802 0.914 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.924 0.150 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.257 1.113 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.320 0.731 0.799 1.00 0.00 H new ATOM 807 N ALA A 52 -10.480 -2.523 1.804 1.00 0.00 N ATOM 808 CA ALA A 52 -11.624 -3.408 1.421 1.00 0.00 C ATOM 809 C ALA A 52 -12.798 -3.267 2.390 1.00 0.00 C ATOM 810 O ALA A 52 -12.653 -2.810 3.502 1.00 0.00 O ATOM 811 CB ALA A 52 -11.087 -4.832 1.467 1.00 0.00 C ATOM 0 H ALA A 52 -10.416 -2.300 2.797 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.999 -3.138 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.880 -5.529 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.260 -4.932 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.736 -5.056 2.474 1.00 0.00 H new ATOM 817 N LYS A 53 -13.964 -3.674 1.965 1.00 0.00 N ATOM 818 CA LYS A 53 -15.167 -3.584 2.843 1.00 0.00 C ATOM 819 C LYS A 53 -15.620 -4.990 3.260 1.00 0.00 C ATOM 820 O LYS A 53 -16.779 -5.337 3.146 1.00 0.00 O ATOM 821 CB LYS A 53 -16.231 -2.919 1.972 1.00 0.00 C ATOM 822 CG LYS A 53 -16.031 -1.402 1.992 1.00 0.00 C ATOM 823 CD LYS A 53 -17.391 -0.707 1.920 1.00 0.00 C ATOM 824 CE LYS A 53 -17.193 0.811 1.877 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.758 1.236 0.567 1.00 0.00 N ATOM 0 H LYS A 53 -14.136 -4.068 1.040 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.975 -3.025 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.165 -3.292 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.226 -3.170 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.507 -1.106 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.409 -1.095 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.933 -1.038 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.996 -0.980 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.706 1.300 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.138 1.074 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.659 2.266 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.246 0.760 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.765 0.979 0.523 1.00 0.00 H new ATOM 839 N SER A 54 -14.712 -5.802 3.739 1.00 0.00 N ATOM 840 CA SER A 54 -15.089 -7.186 4.159 1.00 0.00 C ATOM 841 C SER A 54 -14.027 -7.766 5.100 1.00 0.00 C ATOM 842 O SER A 54 -13.341 -8.715 4.771 1.00 0.00 O ATOM 843 CB SER A 54 -15.151 -7.989 2.860 1.00 0.00 C ATOM 844 OG SER A 54 -15.695 -9.275 3.130 1.00 0.00 O ATOM 0 H SER A 54 -13.727 -5.567 3.857 1.00 0.00 H new ATOM 0 HA SER A 54 -16.035 -7.209 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.765 -7.468 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.154 -8.086 2.430 1.00 0.00 H new ATOM 0 HG SER A 54 -15.738 -9.793 2.299 1.00 0.00 H new ATOM 850 N THR A 55 -13.888 -7.200 6.269 1.00 0.00 N ATOM 851 CA THR A 55 -12.873 -7.706 7.247 1.00 0.00 C ATOM 852 C THR A 55 -13.172 -7.104 8.621 1.00 0.00 C ATOM 853 O THR A 55 -14.318 -6.870 8.953 1.00 0.00 O ATOM 854 CB THR A 55 -11.513 -7.220 6.723 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.636 -6.751 5.388 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.507 -8.372 6.768 1.00 0.00 C ATOM 0 H THR A 55 -14.436 -6.403 6.593 1.00 0.00 H new ATOM 0 HA THR A 55 -12.885 -8.791 7.346 1.00 0.00 H new ATOM 0 HB THR A 55 -11.165 -6.402 7.353 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.762 -6.443 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.542 -8.027 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.397 -8.719 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.864 -9.192 6.144 1.00 0.00 H new ATOM 864 N GLY A 56 -12.165 -6.824 9.421 1.00 0.00 N ATOM 865 CA GLY A 56 -12.429 -6.205 10.756 1.00 0.00 C ATOM 866 C GLY A 56 -13.387 -5.028 10.552 1.00 0.00 C ATOM 867 O GLY A 56 -14.209 -4.719 11.392 1.00 0.00 O ATOM 0 H GLY A 56 -11.183 -6.997 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.865 -6.937 11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.498 -5.864 11.209 1.00 0.00 H new ATOM 871 N ASP A 57 -13.295 -4.398 9.412 1.00 0.00 N ATOM 872 CA ASP A 57 -14.196 -3.266 9.085 1.00 0.00 C ATOM 873 C ASP A 57 -15.019 -3.648 7.846 1.00 0.00 C ATOM 874 O ASP A 57 -14.663 -3.304 6.739 1.00 0.00 O ATOM 875 CB ASP A 57 -13.259 -2.105 8.775 1.00 0.00 C ATOM 876 CG ASP A 57 -13.865 -0.803 9.301 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.682 -0.228 8.602 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.502 -0.403 10.396 1.00 0.00 O ATOM 0 H ASP A 57 -12.619 -4.628 8.683 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.891 -3.013 9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.286 -2.277 9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.095 -2.034 7.700 1.00 0.00 H new ATOM 883 N PRO A 58 -16.087 -4.371 8.066 1.00 0.00 N ATOM 884 CA PRO A 58 -16.947 -4.834 6.947 1.00 0.00 C ATOM 885 C PRO A 58 -17.372 -3.689 6.027 1.00 0.00 C ATOM 886 O PRO A 58 -17.768 -3.907 4.898 1.00 0.00 O ATOM 887 CB PRO A 58 -18.152 -5.420 7.681 1.00 0.00 C ATOM 888 CG PRO A 58 -17.915 -5.305 9.198 1.00 0.00 C ATOM 889 CD PRO A 58 -16.507 -4.751 9.434 1.00 0.00 C ATOM 0 HA PRO A 58 -16.439 -5.539 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.060 -4.887 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.294 -6.463 7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.660 -4.649 9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.022 -6.281 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.514 -3.896 10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.844 -5.497 9.871 1.00 0.00 H new ATOM 897 N GLN A 59 -17.315 -2.482 6.497 1.00 0.00 N ATOM 898 CA GLN A 59 -17.742 -1.337 5.638 1.00 0.00 C ATOM 899 C GLN A 59 -16.554 -0.472 5.205 1.00 0.00 C ATOM 900 O GLN A 59 -16.735 0.542 4.561 1.00 0.00 O ATOM 901 CB GLN A 59 -18.713 -0.525 6.501 1.00 0.00 C ATOM 902 CG GLN A 59 -18.113 -0.311 7.892 1.00 0.00 C ATOM 903 CD GLN A 59 -18.635 0.999 8.486 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.607 1.552 8.011 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.025 1.522 9.515 1.00 0.00 N ATOM 0 H GLN A 59 -16.994 -2.232 7.432 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.203 -1.691 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.916 0.437 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.666 -1.047 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.374 -1.145 8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.025 -0.284 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.209 1.058 9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.364 2.394 9.920 1.00 0.00 H new ATOM 914 N GLY A 60 -15.344 -0.848 5.532 1.00 0.00 N ATOM 915 CA GLY A 60 -14.191 -0.012 5.097 1.00 0.00 C ATOM 916 C GLY A 60 -12.895 -0.447 5.786 1.00 0.00 C ATOM 917 O GLY A 60 -12.666 -0.155 6.943 1.00 0.00 O ATOM 0 H GLY A 60 -15.109 -1.682 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.073 -0.086 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.392 1.035 5.324 1.00 0.00 H new ATOM 921 N VAL A 61 -12.033 -1.123 5.070 1.00 0.00 N ATOM 922 CA VAL A 61 -10.737 -1.566 5.666 1.00 0.00 C ATOM 923 C VAL A 61 -9.576 -1.026 4.852 1.00 0.00 C ATOM 924 O VAL A 61 -9.653 -0.911 3.653 1.00 0.00 O ATOM 925 CB VAL A 61 -10.741 -3.092 5.588 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.442 -3.642 6.182 1.00 0.00 C ATOM 927 CG2 VAL A 61 -11.932 -3.645 6.357 1.00 0.00 C ATOM 0 H VAL A 61 -12.172 -1.388 4.095 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.628 -1.207 6.689 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.817 -3.397 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.448 -4.730 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.592 -3.254 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.359 -3.334 7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.930 -4.733 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.865 -3.338 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.855 -3.260 5.924 1.00 0.00 H new ATOM 937 N ILE A 62 -8.506 -0.685 5.507 1.00 0.00 N ATOM 938 CA ILE A 62 -7.326 -0.134 4.784 1.00 0.00 C ATOM 939 C ILE A 62 -6.023 -0.566 5.462 1.00 0.00 C ATOM 940 O ILE A 62 -5.997 -0.904 6.629 1.00 0.00 O ATOM 941 CB ILE A 62 -7.474 1.388 4.863 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.920 1.735 5.264 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.135 1.993 3.496 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.133 3.243 5.279 1.00 0.00 C ATOM 0 H ILE A 62 -8.395 -0.764 6.518 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.286 -0.493 3.756 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.794 1.797 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.616 1.272 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.137 1.323 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.238 3.077 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.110 1.737 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.816 1.596 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.162 3.462 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.452 3.700 5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.938 3.648 4.286 1.00 0.00 H new ATOM 956 N ARG A 63 -4.940 -0.542 4.733 1.00 0.00 N ATOM 957 CA ARG A 63 -3.626 -0.933 5.320 1.00 0.00 C ATOM 958 C ARG A 63 -2.500 -0.601 4.336 1.00 0.00 C ATOM 959 O ARG A 63 -2.585 -0.906 3.162 1.00 0.00 O ATOM 960 CB ARG A 63 -3.723 -2.445 5.542 1.00 0.00 C ATOM 961 CG ARG A 63 -3.092 -2.809 6.890 1.00 0.00 C ATOM 962 CD ARG A 63 -4.069 -3.665 7.702 1.00 0.00 C ATOM 963 NE ARG A 63 -3.572 -5.061 7.553 1.00 0.00 N ATOM 964 CZ ARG A 63 -3.749 -5.923 8.516 1.00 0.00 C ATOM 965 NH1 ARG A 63 -4.930 -6.438 8.723 1.00 0.00 N ATOM 966 NH2 ARG A 63 -2.744 -6.270 9.274 1.00 0.00 N ATOM 0 H ARG A 63 -4.909 -0.267 3.751 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.408 -0.404 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.766 -2.759 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.214 -2.974 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.161 -3.353 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.842 -1.903 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.085 -3.361 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.087 -3.566 7.326 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.093 -5.343 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.716 -6.167 8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.068 -7.112 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.821 -5.867 9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.882 -6.944 10.027 1.00 0.00 H new ATOM 980 N HIS A 64 -1.448 0.022 4.801 1.00 0.00 N ATOM 981 CA HIS A 64 -0.328 0.368 3.873 1.00 0.00 C ATOM 982 C HIS A 64 0.833 -0.606 4.059 1.00 0.00 C ATOM 983 O HIS A 64 1.606 -0.491 4.990 1.00 0.00 O ATOM 984 CB HIS A 64 0.139 1.790 4.229 1.00 0.00 C ATOM 985 CG HIS A 64 -0.947 2.555 4.935 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.851 3.352 4.254 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.271 2.671 6.265 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.666 3.910 5.166 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.357 3.528 6.409 1.00 0.00 N ATOM 0 H HIS A 64 -1.315 0.304 5.772 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.663 0.310 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.023 1.738 4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.430 2.319 3.321 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.891 3.491 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.760 2.173 7.076 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.473 4.585 4.924 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.818 3.805 7.276 1.00 0.00 H new ATOM 997 N TYR A 65 0.980 -1.544 3.167 1.00 0.00 N ATOM 998 CA TYR A 65 2.116 -2.497 3.282 1.00 0.00 C ATOM 999 C TYR A 65 3.364 -1.813 2.755 1.00 0.00 C ATOM 1000 O TYR A 65 3.401 -1.362 1.632 1.00 0.00 O ATOM 1001 CB TYR A 65 1.768 -3.677 2.387 1.00 0.00 C ATOM 1002 CG TYR A 65 0.357 -4.160 2.658 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.153 -4.157 3.963 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.436 -4.620 1.599 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.454 -4.614 4.206 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.734 -5.079 1.845 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.243 -5.076 3.149 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.525 -5.529 3.390 1.00 0.00 O ATOM 0 H TYR A 65 0.365 -1.691 2.367 1.00 0.00 H new ATOM 0 HA TYR A 65 2.289 -2.817 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.863 -3.386 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.474 -4.489 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.457 -3.802 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.045 -4.620 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.848 -4.609 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.344 -5.436 1.028 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.936 -5.813 2.547 1.00 0.00 H new ATOM 1018 N VAL A 66 4.380 -1.720 3.548 1.00 0.00 N ATOM 1019 CA VAL A 66 5.614 -1.041 3.069 1.00 0.00 C ATOM 1020 C VAL A 66 6.776 -2.022 3.017 1.00 0.00 C ATOM 1021 O VAL A 66 6.703 -3.117 3.537 1.00 0.00 O ATOM 1022 CB VAL A 66 5.908 0.060 4.087 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.028 0.954 3.548 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.648 0.902 4.321 1.00 0.00 C ATOM 0 H VAL A 66 4.417 -2.080 4.502 1.00 0.00 H new ATOM 0 HA VAL A 66 5.481 -0.640 2.064 1.00 0.00 H new ATOM 0 HB VAL A 66 6.216 -0.390 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.243 1.742 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.925 0.356 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.714 1.401 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.864 1.685 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.334 1.356 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.850 0.264 4.701 1.00 0.00 H new ATOM 1034 N VAL A 67 7.849 -1.633 2.396 1.00 0.00 N ATOM 1035 CA VAL A 67 9.018 -2.540 2.313 1.00 0.00 C ATOM 1036 C VAL A 67 10.193 -1.973 3.106 1.00 0.00 C ATOM 1037 O VAL A 67 10.637 -0.864 2.876 1.00 0.00 O ATOM 1038 CB VAL A 67 9.363 -2.608 0.831 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.610 -3.476 0.646 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.185 -3.212 0.059 1.00 0.00 C ATOM 0 H VAL A 67 7.966 -0.727 1.943 1.00 0.00 H new ATOM 0 HA VAL A 67 8.801 -3.524 2.730 1.00 0.00 H new ATOM 0 HB VAL A 67 9.560 -1.606 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.863 -3.529 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.443 -3.038 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.414 -4.480 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.432 -3.261 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.983 -4.216 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.301 -2.589 0.198 1.00 0.00 H new ATOM 1050 N CYS A 68 10.712 -2.735 4.023 1.00 0.00 N ATOM 1051 CA CYS A 68 11.874 -2.262 4.817 1.00 0.00 C ATOM 1052 C CYS A 68 13.159 -2.669 4.101 1.00 0.00 C ATOM 1053 O CYS A 68 13.228 -3.715 3.489 1.00 0.00 O ATOM 1054 CB CYS A 68 11.754 -2.965 6.170 1.00 0.00 C ATOM 1055 SG CYS A 68 12.966 -2.270 7.320 1.00 0.00 S ATOM 0 H CYS A 68 10.379 -3.670 4.258 1.00 0.00 H new ATOM 0 HA CYS A 68 11.894 -1.179 4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.747 -2.842 6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.921 -4.036 6.052 1.00 0.00 H new ATOM 0 HG CYS A 68 13.799 -3.199 7.686 1.00 0.00 H new ATOM 1061 N SER A 69 14.166 -1.845 4.147 1.00 0.00 N ATOM 1062 CA SER A 69 15.430 -2.179 3.440 1.00 0.00 C ATOM 1063 C SER A 69 16.616 -2.212 4.405 1.00 0.00 C ATOM 1064 O SER A 69 16.744 -1.384 5.284 1.00 0.00 O ATOM 1065 CB SER A 69 15.602 -1.051 2.430 1.00 0.00 C ATOM 1066 OG SER A 69 14.362 -0.813 1.776 1.00 0.00 O ATOM 0 H SER A 69 14.168 -0.954 4.644 1.00 0.00 H new ATOM 0 HA SER A 69 15.390 -3.165 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.941 -0.145 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.367 -1.315 1.700 1.00 0.00 H new ATOM 0 HG SER A 69 14.485 -0.884 0.806 1.00 0.00 H new ATOM 1072 N THR A 70 17.495 -3.158 4.221 1.00 0.00 N ATOM 1073 CA THR A 70 18.699 -3.255 5.095 1.00 0.00 C ATOM 1074 C THR A 70 19.928 -2.803 4.288 1.00 0.00 C ATOM 1075 O THR A 70 19.905 -2.848 3.074 1.00 0.00 O ATOM 1076 CB THR A 70 18.788 -4.736 5.485 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.851 -4.926 6.407 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.031 -5.591 4.243 1.00 0.00 C ATOM 0 H THR A 70 17.431 -3.874 3.497 1.00 0.00 H new ATOM 0 HA THR A 70 18.648 -2.626 5.984 1.00 0.00 H new ATOM 0 HB THR A 70 17.848 -5.037 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.904 -5.873 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.093 -6.641 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.209 -5.455 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.965 -5.289 3.770 1.00 0.00 H new ATOM 1086 N PRO A 71 20.957 -2.356 4.970 1.00 0.00 N ATOM 1087 CA PRO A 71 22.173 -1.872 4.272 1.00 0.00 C ATOM 1088 C PRO A 71 22.872 -2.967 3.457 1.00 0.00 C ATOM 1089 O PRO A 71 23.892 -2.722 2.843 1.00 0.00 O ATOM 1090 CB PRO A 71 23.057 -1.386 5.424 1.00 0.00 C ATOM 1091 CG PRO A 71 22.307 -1.612 6.751 1.00 0.00 C ATOM 1092 CD PRO A 71 20.968 -2.298 6.453 1.00 0.00 C ATOM 0 HA PRO A 71 21.946 -1.102 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.004 -1.927 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.294 -0.329 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.905 -2.228 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.139 -0.661 7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.914 -3.292 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.125 -1.728 6.843 1.00 0.00 H new ATOM 1100 N GLN A 72 22.338 -4.156 3.413 1.00 0.00 N ATOM 1101 CA GLN A 72 22.989 -5.218 2.599 1.00 0.00 C ATOM 1102 C GLN A 72 22.343 -5.247 1.207 1.00 0.00 C ATOM 1103 O GLN A 72 22.355 -6.248 0.521 1.00 0.00 O ATOM 1104 CB GLN A 72 22.729 -6.515 3.374 1.00 0.00 C ATOM 1105 CG GLN A 72 23.313 -7.718 2.623 1.00 0.00 C ATOM 1106 CD GLN A 72 24.805 -7.494 2.364 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.612 -7.591 3.267 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.209 -7.198 1.158 1.00 0.00 N ATOM 0 H GLN A 72 21.487 -4.436 3.901 1.00 0.00 H new ATOM 0 HA GLN A 72 24.057 -5.061 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.175 -6.448 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.657 -6.653 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.168 -8.627 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.788 -7.858 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.532 -7.116 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.201 -7.049 0.975 1.00 0.00 H new ATOM 1117 N SER A 73 21.767 -4.141 0.786 1.00 0.00 N ATOM 1118 CA SER A 73 21.103 -4.090 -0.553 1.00 0.00 C ATOM 1119 C SER A 73 19.953 -5.094 -0.575 1.00 0.00 C ATOM 1120 O SER A 73 19.829 -5.895 -1.482 1.00 0.00 O ATOM 1121 CB SER A 73 22.183 -4.477 -1.566 1.00 0.00 C ATOM 1122 OG SER A 73 22.055 -3.661 -2.722 1.00 0.00 O ATOM 0 H SER A 73 21.730 -3.271 1.317 1.00 0.00 H new ATOM 0 HA SER A 73 20.690 -3.107 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.172 -4.352 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.085 -5.528 -1.836 1.00 0.00 H new ATOM 0 HG SER A 73 22.746 -3.905 -3.373 1.00 0.00 H new ATOM 1128 N GLN A 74 19.126 -5.074 0.438 1.00 0.00 N ATOM 1129 CA GLN A 74 17.998 -6.048 0.506 1.00 0.00 C ATOM 1130 C GLN A 74 16.708 -5.346 0.953 1.00 0.00 C ATOM 1131 O GLN A 74 16.727 -4.208 1.381 1.00 0.00 O ATOM 1132 CB GLN A 74 18.437 -7.087 1.543 1.00 0.00 C ATOM 1133 CG GLN A 74 19.966 -7.107 1.651 1.00 0.00 C ATOM 1134 CD GLN A 74 20.426 -8.427 2.276 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.453 -8.551 3.575 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.765 -9.357 1.572 1.00 0.00 N flip ATOM 0 H GLN A 74 19.184 -4.424 1.222 1.00 0.00 H new ATOM 0 HA GLN A 74 17.786 -6.501 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.999 -6.852 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.071 -8.074 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.411 -6.988 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.308 -6.268 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.745 -9.262 0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.070 -10.233 1.996 1.00 0.00 H new ATOM 1145 N TYR A 75 15.584 -6.011 0.837 1.00 0.00 N ATOM 1146 CA TYR A 75 14.284 -5.369 1.237 1.00 0.00 C ATOM 1147 C TYR A 75 13.304 -6.398 1.814 1.00 0.00 C ATOM 1148 O TYR A 75 13.403 -7.574 1.550 1.00 0.00 O ATOM 1149 CB TYR A 75 13.699 -4.791 -0.052 1.00 0.00 C ATOM 1150 CG TYR A 75 14.731 -3.960 -0.768 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.691 -4.581 -1.570 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.725 -2.571 -0.630 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.650 -3.814 -2.234 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.683 -1.800 -1.294 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.648 -2.421 -2.097 1.00 0.00 C ATOM 1156 OH TYR A 75 17.594 -1.661 -2.754 1.00 0.00 O ATOM 0 H TYR A 75 15.506 -6.965 0.485 1.00 0.00 H new ATOM 0 HA TYR A 75 14.449 -4.614 2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.360 -5.599 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.826 -4.180 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.691 -5.656 -1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.981 -2.093 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.393 -4.295 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.679 -0.725 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 75 17.450 -0.713 -2.552 1.00 0.00 H new ATOM 1166 N TYR A 76 12.338 -5.947 2.578 1.00 0.00 N ATOM 1167 CA TYR A 76 11.325 -6.885 3.167 1.00 0.00 C ATOM 1168 C TYR A 76 10.303 -6.121 4.018 1.00 0.00 C ATOM 1169 O TYR A 76 10.569 -5.043 4.503 1.00 0.00 O ATOM 1170 CB TYR A 76 12.117 -7.839 4.079 1.00 0.00 C ATOM 1171 CG TYR A 76 12.863 -7.051 5.136 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.200 -6.650 6.301 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.218 -6.741 4.966 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.883 -5.941 7.292 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.904 -6.035 5.960 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.237 -5.634 7.123 1.00 0.00 C ATOM 1177 OH TYR A 76 14.915 -4.938 8.102 1.00 0.00 O ATOM 0 H TYR A 76 12.206 -4.965 2.821 1.00 0.00 H new ATOM 0 HA TYR A 76 10.781 -7.409 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.438 -8.547 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.821 -8.422 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.155 -6.890 6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.733 -7.047 4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.366 -5.630 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.950 -5.799 5.830 1.00 0.00 H new ATOM 0 HH TYR A 76 15.847 -4.809 7.826 1.00 0.00 H new ATOM 1187 N LEU A 77 9.165 -6.712 4.261 1.00 0.00 N ATOM 1188 CA LEU A 77 8.152 -6.060 5.146 1.00 0.00 C ATOM 1189 C LEU A 77 8.312 -6.702 6.527 1.00 0.00 C ATOM 1190 O LEU A 77 7.719 -6.300 7.508 1.00 0.00 O ATOM 1191 CB LEU A 77 6.786 -6.396 4.537 1.00 0.00 C ATOM 1192 CG LEU A 77 5.761 -5.339 4.961 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.814 -5.043 3.795 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.949 -5.857 6.151 1.00 0.00 C ATOM 0 H LEU A 77 8.891 -7.620 3.885 1.00 0.00 H new ATOM 0 HA LEU A 77 8.262 -4.979 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.860 -6.431 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.463 -7.384 4.866 1.00 0.00 H new ATOM 0 HG LEU A 77 6.285 -4.427 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.086 -4.291 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.387 -4.670 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.293 -5.957 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.221 -5.103 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.428 -6.771 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.619 -6.066 6.985 1.00 0.00 H new ATOM 1206 N ALA A 78 9.173 -7.685 6.576 1.00 0.00 N ATOM 1207 CA ALA A 78 9.504 -8.404 7.828 1.00 0.00 C ATOM 1208 C ALA A 78 10.885 -9.027 7.613 1.00 0.00 C ATOM 1209 O ALA A 78 11.086 -9.783 6.683 1.00 0.00 O ATOM 1210 CB ALA A 78 8.427 -9.479 7.986 1.00 0.00 C ATOM 0 H ALA A 78 9.678 -8.028 5.759 1.00 0.00 H new ATOM 0 HA ALA A 78 9.529 -7.775 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.613 -10.050 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.447 -9.006 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.452 -10.149 7.126 1.00 0.00 H new ATOM 1216 N GLU A 79 11.847 -8.694 8.433 1.00 0.00 N ATOM 1217 CA GLU A 79 13.229 -9.244 8.241 1.00 0.00 C ATOM 1218 C GLU A 79 13.199 -10.757 8.017 1.00 0.00 C ATOM 1219 O GLU A 79 14.138 -11.334 7.507 1.00 0.00 O ATOM 1220 CB GLU A 79 13.975 -8.907 9.529 1.00 0.00 C ATOM 1221 CG GLU A 79 14.636 -7.538 9.386 1.00 0.00 C ATOM 1222 CD GLU A 79 15.612 -7.316 10.543 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.153 -6.973 11.620 1.00 0.00 O ATOM 1224 OE2 GLU A 79 16.800 -7.493 10.333 1.00 0.00 O ATOM 0 H GLU A 79 11.739 -8.065 9.229 1.00 0.00 H new ATOM 0 HA GLU A 79 13.711 -8.816 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.285 -8.904 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.728 -9.667 9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.164 -7.476 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.877 -6.755 9.382 1.00 0.00 H new ATOM 1231 N LYS A 80 12.126 -11.395 8.392 1.00 0.00 N ATOM 1232 CA LYS A 80 12.010 -12.876 8.200 1.00 0.00 C ATOM 1233 C LYS A 80 12.536 -13.282 6.817 1.00 0.00 C ATOM 1234 O LYS A 80 13.181 -14.299 6.660 1.00 0.00 O ATOM 1235 CB LYS A 80 10.514 -13.163 8.297 1.00 0.00 C ATOM 1236 CG LYS A 80 10.172 -13.637 9.712 1.00 0.00 C ATOM 1237 CD LYS A 80 10.357 -15.154 9.801 1.00 0.00 C ATOM 1238 CE LYS A 80 9.012 -15.846 9.568 1.00 0.00 C ATOM 1239 NZ LYS A 80 9.311 -17.303 9.652 1.00 0.00 N ATOM 0 H LYS A 80 11.316 -10.954 8.827 1.00 0.00 H new ATOM 0 HA LYS A 80 12.591 -13.432 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.945 -12.265 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.232 -13.924 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.813 -13.139 10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.144 -13.370 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.083 -15.487 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.754 -15.426 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.280 -15.549 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.596 -15.583 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.437 -17.846 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.006 -17.557 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.699 -17.524 10.591 1.00 0.00 H new ATOM 1253 N HIS A 81 12.270 -12.481 5.820 1.00 0.00 N ATOM 1254 CA HIS A 81 12.755 -12.797 4.447 1.00 0.00 C ATOM 1255 C HIS A 81 12.895 -11.496 3.663 1.00 0.00 C ATOM 1256 O HIS A 81 12.094 -10.593 3.810 1.00 0.00 O ATOM 1257 CB HIS A 81 11.678 -13.687 3.828 1.00 0.00 C ATOM 1258 CG HIS A 81 11.743 -15.057 4.445 1.00 0.00 C ATOM 1259 ND1 HIS A 81 12.891 -15.833 4.401 1.00 0.00 N ATOM 1260 CD2 HIS A 81 10.811 -15.803 5.121 1.00 0.00 C ATOM 1261 CE1 HIS A 81 12.622 -16.990 5.034 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.368 -17.024 5.492 1.00 0.00 N ATOM 0 H HIS A 81 11.734 -11.617 5.899 1.00 0.00 H new ATOM 0 HA HIS A 81 13.724 -13.295 4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.693 -13.250 3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.823 -13.755 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.799 -15.491 5.333 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.334 -17.793 5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.916 -17.782 6.004 1.00 0.00 H new ATOM 1270 N LEU A 82 13.910 -11.370 2.853 1.00 0.00 N ATOM 1271 CA LEU A 82 14.079 -10.103 2.103 1.00 0.00 C ATOM 1272 C LEU A 82 14.769 -10.342 0.757 1.00 0.00 C ATOM 1273 O LEU A 82 15.656 -11.163 0.633 1.00 0.00 O ATOM 1274 CB LEU A 82 14.939 -9.229 3.026 1.00 0.00 C ATOM 1275 CG LEU A 82 16.334 -9.827 3.180 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.267 -8.776 3.786 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.287 -11.049 4.106 1.00 0.00 C ATOM 0 H LEU A 82 14.620 -12.082 2.682 1.00 0.00 H new ATOM 0 HA LEU A 82 13.126 -9.634 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.012 -8.221 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.463 -9.144 4.003 1.00 0.00 H new ATOM 0 HG LEU A 82 16.700 -10.134 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.266 -9.198 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.312 -7.907 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.889 -8.473 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.289 -11.467 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.918 -10.749 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.621 -11.801 3.682 1.00 0.00 H new ATOM 1289 N PHE A 83 14.365 -9.616 -0.251 1.00 0.00 N ATOM 1290 CA PHE A 83 14.989 -9.774 -1.593 1.00 0.00 C ATOM 1291 C PHE A 83 15.791 -8.516 -1.931 1.00 0.00 C ATOM 1292 O PHE A 83 16.150 -7.755 -1.054 1.00 0.00 O ATOM 1293 CB PHE A 83 13.815 -9.962 -2.554 1.00 0.00 C ATOM 1294 CG PHE A 83 13.451 -11.426 -2.604 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.919 -12.053 -1.470 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.649 -12.157 -3.780 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.585 -13.412 -1.514 1.00 0.00 C ATOM 1298 CE2 PHE A 83 13.316 -13.516 -3.824 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.784 -14.143 -2.692 1.00 0.00 C ATOM 0 H PHE A 83 13.625 -8.916 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 83 15.681 -10.615 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.960 -9.372 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.082 -9.606 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.767 -11.488 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.059 -11.673 -4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.174 -13.896 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 83 13.470 -14.080 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.527 -15.191 -2.727 1.00 0.00 H new ATOM 1309 N SER A 84 16.087 -8.287 -3.182 1.00 0.00 N ATOM 1310 CA SER A 84 16.878 -7.074 -3.544 1.00 0.00 C ATOM 1311 C SER A 84 15.977 -5.977 -4.133 1.00 0.00 C ATOM 1312 O SER A 84 16.462 -4.989 -4.650 1.00 0.00 O ATOM 1313 CB SER A 84 17.882 -7.558 -4.588 1.00 0.00 C ATOM 1314 OG SER A 84 17.181 -8.140 -5.678 1.00 0.00 O ATOM 0 H SER A 84 15.818 -8.883 -3.965 1.00 0.00 H new ATOM 0 HA SER A 84 17.363 -6.634 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.492 -6.725 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.561 -8.287 -4.146 1.00 0.00 H new ATOM 0 HG SER A 84 17.822 -8.450 -6.351 1.00 0.00 H new ATOM 1320 N THR A 85 14.677 -6.129 -4.056 1.00 0.00 N ATOM 1321 CA THR A 85 13.764 -5.076 -4.607 1.00 0.00 C ATOM 1322 C THR A 85 12.323 -5.308 -4.125 1.00 0.00 C ATOM 1323 O THR A 85 11.967 -6.398 -3.716 1.00 0.00 O ATOM 1324 CB THR A 85 13.828 -5.221 -6.133 1.00 0.00 C ATOM 1325 OG1 THR A 85 15.155 -5.509 -6.546 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.364 -3.920 -6.788 1.00 0.00 C ATOM 0 H THR A 85 14.209 -6.933 -3.637 1.00 0.00 H new ATOM 0 HA THR A 85 14.065 -4.081 -4.278 1.00 0.00 H new ATOM 0 HB THR A 85 13.177 -6.041 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.768 -4.848 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.409 -4.022 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.339 -3.706 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.013 -3.103 -6.473 1.00 0.00 H new ATOM 1334 N ILE A 86 11.488 -4.295 -4.177 1.00 0.00 N ATOM 1335 CA ILE A 86 10.074 -4.474 -3.725 1.00 0.00 C ATOM 1336 C ILE A 86 9.309 -5.423 -4.674 1.00 0.00 C ATOM 1337 O ILE A 86 8.761 -6.409 -4.221 1.00 0.00 O ATOM 1338 CB ILE A 86 9.469 -3.066 -3.724 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.832 -2.369 -2.412 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.942 -3.145 -3.846 1.00 0.00 C ATOM 1341 CD1 ILE A 86 11.042 -1.459 -2.632 1.00 0.00 C ATOM 0 H ILE A 86 11.724 -3.360 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 86 10.014 -4.931 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 86 9.865 -2.506 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.985 -1.784 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.056 -3.110 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.524 -2.138 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.677 -3.646 -4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.538 -3.707 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.299 -0.963 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.889 -2.055 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.801 -0.709 -3.386 1.00 0.00 H new ATOM 1353 N PRO A 87 9.284 -5.114 -5.958 1.00 0.00 N ATOM 1354 CA PRO A 87 8.568 -5.984 -6.922 1.00 0.00 C ATOM 1355 C PRO A 87 9.064 -7.426 -6.803 1.00 0.00 C ATOM 1356 O PRO A 87 8.315 -8.367 -6.971 1.00 0.00 O ATOM 1357 CB PRO A 87 8.934 -5.368 -8.276 1.00 0.00 C ATOM 1358 CG PRO A 87 9.845 -4.151 -8.031 1.00 0.00 C ATOM 1359 CD PRO A 87 9.956 -3.916 -6.519 1.00 0.00 C ATOM 0 HA PRO A 87 7.491 -6.031 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.443 -6.102 -8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.033 -5.065 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.832 -4.325 -8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.436 -3.268 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.994 -3.844 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.462 -2.993 -6.214 1.00 0.00 H new ATOM 1367 N GLU A 88 10.320 -7.603 -6.490 1.00 0.00 N ATOM 1368 CA GLU A 88 10.858 -8.982 -6.333 1.00 0.00 C ATOM 1369 C GLU A 88 10.253 -9.612 -5.078 1.00 0.00 C ATOM 1370 O GLU A 88 9.851 -10.759 -5.076 1.00 0.00 O ATOM 1371 CB GLU A 88 12.369 -8.811 -6.179 1.00 0.00 C ATOM 1372 CG GLU A 88 13.058 -10.163 -6.366 1.00 0.00 C ATOM 1373 CD GLU A 88 12.903 -10.618 -7.818 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.015 -9.779 -8.696 1.00 0.00 O ATOM 1375 OE2 GLU A 88 12.677 -11.798 -8.028 1.00 0.00 O ATOM 0 H GLU A 88 10.994 -6.853 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 88 10.619 -9.629 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.741 -8.097 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.601 -8.406 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.114 -10.083 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.622 -10.902 -5.694 1.00 0.00 H new ATOM 1382 N LEU A 89 10.172 -8.856 -4.014 1.00 0.00 N ATOM 1383 CA LEU A 89 9.579 -9.390 -2.752 1.00 0.00 C ATOM 1384 C LEU A 89 8.132 -9.833 -2.997 1.00 0.00 C ATOM 1385 O LEU A 89 7.762 -10.959 -2.731 1.00 0.00 O ATOM 1386 CB LEU A 89 9.614 -8.215 -1.767 1.00 0.00 C ATOM 1387 CG LEU A 89 10.677 -8.466 -0.695 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.426 -7.161 -0.393 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.001 -8.974 0.581 1.00 0.00 C ATOM 0 H LEU A 89 10.492 -7.889 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 89 10.123 -10.256 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.833 -7.289 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.637 -8.091 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 89 11.385 -9.212 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.182 -7.344 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.908 -6.799 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.721 -6.412 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.756 -9.154 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.292 -8.228 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.473 -9.903 0.368 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.271 -3.611 -7.311 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.002 -2.569 -8.090 1.00 0.00 C ATOM 1664 C TYR A 106 -7.191 -1.265 -8.140 1.00 0.00 C ATOM 1665 O TYR A 106 -6.942 -0.664 -7.113 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.311 -2.351 -7.331 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.291 -1.646 -8.232 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.016 -0.352 -8.687 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.470 -2.288 -8.616 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.922 0.302 -9.528 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.380 -1.636 -9.457 1.00 0.00 C ATOM 1672 CZ TYR A 106 -12.105 -0.340 -9.913 1.00 0.00 C ATOM 1673 OH TYR A 106 -13.001 0.304 -10.744 1.00 0.00 O ATOM 0 HA TYR A 106 -8.171 -2.876 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.720 -3.307 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.131 -1.759 -6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.103 0.142 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.680 -3.287 -8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.709 1.301 -9.880 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.293 -2.131 -9.754 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.768 -0.282 -10.914 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.807 -0.855 -9.331 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.028 0.397 -9.489 1.00 0.00 C ATOM 1685 C PRO A 107 -6.875 1.612 -9.107 1.00 0.00 C ATOM 1686 O PRO A 107 -7.286 2.388 -9.949 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.697 0.407 -10.982 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.313 -0.847 -11.633 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.112 -1.611 -10.570 1.00 0.00 C ATOM 0 HA PRO A 107 -5.144 0.441 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.092 1.309 -11.451 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.617 0.418 -11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.962 -0.563 -12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.529 -1.482 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.180 -1.615 -10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.798 -2.652 -10.497 1.00 0.00 H new