USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 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 68 CYS SG : rot 180:sc= 0.0939 USER MOD Set 1.2: A 76 TYR OH : rot -67:sc= -0.245 USER MOD Set 2.1: A 49 SER OG : rot -39:sc= 0.953 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -6.68! C(o=-5.7!,f=-17!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 GLN : amide:sc= -2.21 K(o=-6,f=-1.9) USER MOD Set 3.3: A 24 GLN : amide:sc= -3.82! C(o=-6!,f=-1.9!) USER MOD Set 4.1: A 13 TYR OH : rot 150:sc= -1.13 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -173:sc= -0.0962! (180deg=-0.367) USER MOD Set 5.1: A 14 SER OG : rot -168:sc= 0.42 USER MOD Set 5.2: A 17 MET CE :methyl 136:sc= -4.96! (180deg=-12.5!) USER MOD Single : A 16 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=-0.075) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0.0388 (180deg=-0.102) USER MOD Single : A 28 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 120:sc= 0.257 USER MOD Single : A 41 SER OG : rot 180:sc= -0.139 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= -0.0677 USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -0.0338 (180deg=-0.567) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -65:sc= -1.31! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -77:sc= 0.862 USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.61! USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -58:sc= 0.629 USER MOD Single : A 74 GLN : amide:sc= -5.71! 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= -1.91 X(o=-1.9,f=-2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -64:sc= -0.444! USER MOD Single : A 106 TYR OH : rot 30:sc= -2.01 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -3.183 3.473 -11.871 1.00 0.00 N ATOM 151 CA GLU A 11 -3.874 4.224 -10.783 1.00 0.00 C ATOM 152 C GLU A 11 -3.243 3.888 -9.432 1.00 0.00 C ATOM 153 O GLU A 11 -2.911 4.760 -8.655 1.00 0.00 O ATOM 154 CB GLU A 11 -5.327 3.743 -10.813 1.00 0.00 C ATOM 155 CG GLU A 11 -6.260 4.895 -10.448 1.00 0.00 C ATOM 156 CD GLU A 11 -6.828 5.520 -11.724 1.00 0.00 C ATOM 157 OE1 GLU A 11 -7.535 4.825 -12.435 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.547 6.681 -11.968 1.00 0.00 O ATOM 0 HA GLU A 11 -3.798 5.302 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.574 3.363 -11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.461 2.918 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.071 4.533 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.719 5.646 -9.873 1.00 0.00 H new ATOM 165 N TRP A 12 -3.088 2.624 -9.149 1.00 0.00 N ATOM 166 CA TRP A 12 -2.494 2.206 -7.846 1.00 0.00 C ATOM 167 C TRP A 12 -1.153 2.902 -7.595 1.00 0.00 C ATOM 168 O TRP A 12 -0.714 3.020 -6.471 1.00 0.00 O ATOM 169 CB TRP A 12 -2.295 0.694 -7.969 1.00 0.00 C ATOM 170 CG TRP A 12 -1.380 0.393 -9.115 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.780 0.132 -10.381 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.075 0.315 -9.121 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.662 -0.098 -11.164 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.505 0.002 -10.432 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.053 0.484 -8.125 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.858 -0.138 -10.745 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.416 0.344 -8.436 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.817 0.033 -9.743 1.00 0.00 C ATOM 0 H TRP A 12 -3.349 1.857 -9.768 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.138 2.475 -7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.877 0.297 -7.044 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.256 0.203 -8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.804 0.107 -10.724 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.696 -0.315 -12.160 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.755 0.723 -7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.161 -0.377 -11.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.159 0.477 -7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.866 -0.074 -9.975 1.00 0.00 H new ATOM 189 N TYR A 13 -0.496 3.352 -8.624 1.00 0.00 N ATOM 190 CA TYR A 13 0.821 4.025 -8.419 1.00 0.00 C ATOM 191 C TYR A 13 0.618 5.495 -8.045 1.00 0.00 C ATOM 192 O TYR A 13 -0.199 6.185 -8.623 1.00 0.00 O ATOM 193 CB TYR A 13 1.538 3.910 -9.762 1.00 0.00 C ATOM 194 CG TYR A 13 2.998 4.241 -9.575 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.784 3.469 -8.713 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.565 5.321 -10.262 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.138 3.773 -8.538 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.920 5.627 -10.086 1.00 0.00 C ATOM 199 CZ TYR A 13 5.707 4.852 -9.224 1.00 0.00 C ATOM 200 OH TYR A 13 7.043 5.151 -9.053 1.00 0.00 O ATOM 0 H TYR A 13 -0.808 3.286 -9.593 1.00 0.00 H new ATOM 0 HA TYR A 13 1.392 3.570 -7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.430 2.901 -10.160 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.089 4.589 -10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.345 2.637 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.958 5.917 -10.927 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.744 3.175 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.358 6.460 -10.615 1.00 0.00 H new ATOM 0 HH TYR A 13 7.396 5.553 -9.874 1.00 0.00 H new ATOM 210 N SER A 14 1.359 5.979 -7.081 1.00 0.00 N ATOM 211 CA SER A 14 1.213 7.405 -6.668 1.00 0.00 C ATOM 212 C SER A 14 2.569 7.985 -6.271 1.00 0.00 C ATOM 213 O SER A 14 3.307 7.401 -5.501 1.00 0.00 O ATOM 214 CB SER A 14 0.278 7.382 -5.462 1.00 0.00 C ATOM 215 OG SER A 14 -0.764 6.441 -5.688 1.00 0.00 O ATOM 0 H SER A 14 2.058 5.447 -6.563 1.00 0.00 H new ATOM 0 HA SER A 14 0.823 8.023 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.834 7.116 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.143 8.374 -5.296 1.00 0.00 H new ATOM 0 HG SER A 14 -1.463 6.559 -5.012 1.00 0.00 H new ATOM 221 N LYS A 15 2.901 9.131 -6.794 1.00 0.00 N ATOM 222 CA LYS A 15 4.208 9.761 -6.456 1.00 0.00 C ATOM 223 C LYS A 15 4.099 10.585 -5.174 1.00 0.00 C ATOM 224 O LYS A 15 3.445 11.609 -5.131 1.00 0.00 O ATOM 225 CB LYS A 15 4.536 10.660 -7.653 1.00 0.00 C ATOM 226 CG LYS A 15 5.744 10.095 -8.413 1.00 0.00 C ATOM 227 CD LYS A 15 5.518 8.609 -8.718 1.00 0.00 C ATOM 228 CE LYS A 15 6.407 7.757 -7.802 1.00 0.00 C ATOM 229 NZ LYS A 15 5.489 6.765 -7.164 1.00 0.00 N ATOM 0 H LYS A 15 2.321 9.661 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 15 4.985 9.018 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.675 10.725 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.751 11.672 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.892 10.648 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.650 10.220 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.470 8.351 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.750 8.402 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.191 7.257 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.902 8.373 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.007 6.229 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.691 7.265 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.129 6.110 -7.887 1.00 0.00 H new ATOM 243 N HIS A 16 4.750 10.140 -4.131 1.00 0.00 N ATOM 244 CA HIS A 16 4.719 10.877 -2.834 1.00 0.00 C ATOM 245 C HIS A 16 3.286 11.021 -2.320 1.00 0.00 C ATOM 246 O HIS A 16 2.879 12.080 -1.885 1.00 0.00 O ATOM 247 CB HIS A 16 5.328 12.249 -3.130 1.00 0.00 C ATOM 248 CG HIS A 16 6.738 12.081 -3.626 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.595 11.121 -3.108 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.457 12.742 -4.591 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.767 11.231 -3.758 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.737 12.204 -4.673 1.00 0.00 N ATOM 0 H HIS A 16 5.309 9.287 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 16 5.272 10.347 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.729 12.770 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.320 12.863 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.085 13.556 -5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.628 10.608 -3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.491 12.491 -5.298 1.00 0.00 H new ATOM 260 N MET A 17 2.522 9.962 -2.351 1.00 0.00 N ATOM 261 CA MET A 17 1.123 10.045 -1.844 1.00 0.00 C ATOM 262 C MET A 17 1.129 9.941 -0.318 1.00 0.00 C ATOM 263 O MET A 17 2.120 9.570 0.281 1.00 0.00 O ATOM 264 CB MET A 17 0.400 8.849 -2.462 1.00 0.00 C ATOM 265 CG MET A 17 -1.072 8.870 -2.045 1.00 0.00 C ATOM 266 SD MET A 17 -1.955 7.539 -2.892 1.00 0.00 S ATOM 267 CE MET A 17 -0.999 6.167 -2.201 1.00 0.00 C ATOM 0 H MET A 17 2.805 9.048 -2.704 1.00 0.00 H new ATOM 0 HA MET A 17 0.636 10.984 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.482 8.883 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.868 7.920 -2.136 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.157 8.748 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.518 9.833 -2.293 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.676 5.368 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.306 5.791 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.439 6.515 -1.333 1.00 0.00 H new ATOM 277 N THR A 18 0.040 10.274 0.318 1.00 0.00 N ATOM 278 CA THR A 18 0.000 10.201 1.807 1.00 0.00 C ATOM 279 C THR A 18 -0.764 8.959 2.269 1.00 0.00 C ATOM 280 O THR A 18 -1.832 8.655 1.777 1.00 0.00 O ATOM 281 CB THR A 18 -0.729 11.469 2.248 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.281 12.569 1.467 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.438 11.736 3.724 1.00 0.00 C ATOM 0 H THR A 18 -0.821 10.592 -0.126 1.00 0.00 H new ATOM 0 HA THR A 18 1.000 10.130 2.236 1.00 0.00 H new ATOM 0 HB THR A 18 -1.802 11.340 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.750 13.382 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.958 12.641 4.039 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.783 10.892 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.635 11.866 3.866 1.00 0.00 H new ATOM 291 N ARG A 19 -0.221 8.246 3.224 1.00 0.00 N ATOM 292 CA ARG A 19 -0.905 7.023 3.746 1.00 0.00 C ATOM 293 C ARG A 19 -2.372 7.329 4.052 1.00 0.00 C ATOM 294 O ARG A 19 -3.261 6.534 3.807 1.00 0.00 O ATOM 295 CB ARG A 19 -0.163 6.692 5.046 1.00 0.00 C ATOM 296 CG ARG A 19 -0.383 7.819 6.071 1.00 0.00 C ATOM 297 CD ARG A 19 0.604 7.660 7.231 1.00 0.00 C ATOM 298 NE ARG A 19 1.299 8.975 7.328 1.00 0.00 N ATOM 299 CZ ARG A 19 1.328 9.616 8.464 1.00 0.00 C ATOM 300 NH1 ARG A 19 2.203 9.289 9.376 1.00 0.00 N ATOM 301 NH2 ARG A 19 0.483 10.585 8.688 1.00 0.00 N ATOM 0 H ARG A 19 0.672 8.460 3.667 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.887 6.201 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.522 5.745 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.902 6.571 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.246 8.790 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.406 7.789 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.087 7.417 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.311 6.853 7.040 1.00 0.00 H new ATOM 0 HE ARG A 19 1.752 9.374 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.864 8.532 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.226 9.790 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.200 10.841 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.506 11.086 9.576 1.00 0.00 H new ATOM 315 N SER A 20 -2.614 8.487 4.587 1.00 0.00 N ATOM 316 CA SER A 20 -3.997 8.888 4.936 1.00 0.00 C ATOM 317 C SER A 20 -4.789 9.153 3.654 1.00 0.00 C ATOM 318 O SER A 20 -5.943 8.786 3.543 1.00 0.00 O ATOM 319 CB SER A 20 -3.808 10.152 5.777 1.00 0.00 C ATOM 320 OG SER A 20 -4.681 11.177 5.319 1.00 0.00 O ATOM 0 H SER A 20 -1.900 9.183 4.800 1.00 0.00 H new ATOM 0 HA SER A 20 -4.558 8.129 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.009 9.934 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.773 10.489 5.714 1.00 0.00 H new ATOM 0 HG SER A 20 -4.555 11.982 5.864 1.00 0.00 H new ATOM 326 N GLN A 21 -4.171 9.760 2.675 1.00 0.00 N ATOM 327 CA GLN A 21 -4.886 10.012 1.394 1.00 0.00 C ATOM 328 C GLN A 21 -5.323 8.678 0.802 1.00 0.00 C ATOM 329 O GLN A 21 -6.417 8.545 0.292 1.00 0.00 O ATOM 330 CB GLN A 21 -3.868 10.705 0.488 1.00 0.00 C ATOM 331 CG GLN A 21 -3.760 12.179 0.882 1.00 0.00 C ATOM 332 CD GLN A 21 -4.780 12.996 0.087 1.00 0.00 C ATOM 333 OE1 GLN A 21 -4.568 13.293 -1.073 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.886 13.376 0.666 1.00 0.00 N ATOM 0 H GLN A 21 -3.206 10.090 2.709 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.778 10.626 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.896 10.221 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.173 10.617 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.939 12.295 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.752 12.546 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.064 13.127 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.573 13.922 0.146 1.00 0.00 H new ATOM 343 N ALA A 22 -4.485 7.679 0.890 1.00 0.00 N ATOM 344 CA ALA A 22 -4.868 6.347 0.359 1.00 0.00 C ATOM 345 C ALA A 22 -6.047 5.823 1.169 1.00 0.00 C ATOM 346 O ALA A 22 -7.030 5.374 0.623 1.00 0.00 O ATOM 347 CB ALA A 22 -3.634 5.457 0.542 1.00 0.00 C ATOM 0 H ALA A 22 -3.555 7.732 1.306 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.168 6.375 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.849 4.456 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.796 5.879 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.378 5.403 1.600 1.00 0.00 H new ATOM 353 N GLU A 23 -5.963 5.897 2.471 1.00 0.00 N ATOM 354 CA GLU A 23 -7.093 5.421 3.324 1.00 0.00 C ATOM 355 C GLU A 23 -8.396 6.113 2.922 1.00 0.00 C ATOM 356 O GLU A 23 -9.398 5.470 2.677 1.00 0.00 O ATOM 357 CB GLU A 23 -6.724 5.820 4.756 1.00 0.00 C ATOM 358 CG GLU A 23 -5.564 4.962 5.256 1.00 0.00 C ATOM 359 CD GLU A 23 -5.269 5.304 6.716 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.146 5.102 7.541 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.171 5.761 6.987 1.00 0.00 O ATOM 0 H GLU A 23 -5.161 6.266 2.981 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.244 4.347 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.448 6.874 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.587 5.696 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.813 3.905 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.679 5.137 4.645 1.00 0.00 H new ATOM 368 N GLN A 24 -8.399 7.422 2.871 1.00 0.00 N ATOM 369 CA GLN A 24 -9.652 8.135 2.508 1.00 0.00 C ATOM 370 C GLN A 24 -10.048 7.838 1.064 1.00 0.00 C ATOM 371 O GLN A 24 -11.192 7.525 0.794 1.00 0.00 O ATOM 372 CB GLN A 24 -9.374 9.629 2.716 1.00 0.00 C ATOM 373 CG GLN A 24 -8.241 10.101 1.805 1.00 0.00 C ATOM 374 CD GLN A 24 -7.930 11.569 2.107 1.00 0.00 C ATOM 375 OE1 GLN A 24 -7.282 11.876 3.087 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.371 12.495 1.300 1.00 0.00 N ATOM 0 H GLN A 24 -7.594 8.019 3.064 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.487 7.807 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.277 10.204 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.110 9.813 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.353 9.489 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.527 9.985 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.915 12.237 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.171 13.477 1.492 1.00 0.00 H new ATOM 385 N LEU A 25 -9.139 7.916 0.125 1.00 0.00 N ATOM 386 CA LEU A 25 -9.545 7.614 -1.273 1.00 0.00 C ATOM 387 C LEU A 25 -9.841 6.120 -1.404 1.00 0.00 C ATOM 388 O LEU A 25 -10.617 5.707 -2.244 1.00 0.00 O ATOM 389 CB LEU A 25 -8.393 8.070 -2.178 1.00 0.00 C ATOM 390 CG LEU A 25 -7.154 7.202 -1.965 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.249 5.952 -2.843 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.909 8.008 -2.355 1.00 0.00 C ATOM 0 H LEU A 25 -8.160 8.169 0.263 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.456 8.137 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.703 8.018 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.152 9.112 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.088 6.902 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.365 5.333 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.140 5.385 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.310 6.247 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.019 7.397 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.978 8.300 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.844 8.901 -1.733 1.00 0.00 H new ATOM 404 N LEU A 26 -9.274 5.305 -0.550 1.00 0.00 N ATOM 405 CA LEU A 26 -9.588 3.853 -0.614 1.00 0.00 C ATOM 406 C LEU A 26 -10.996 3.665 -0.056 1.00 0.00 C ATOM 407 O LEU A 26 -11.890 3.197 -0.734 1.00 0.00 O ATOM 408 CB LEU A 26 -8.555 3.158 0.274 1.00 0.00 C ATOM 409 CG LEU A 26 -7.376 2.663 -0.577 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.270 2.123 0.336 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.851 1.544 -1.510 1.00 0.00 C ATOM 0 H LEU A 26 -8.616 5.581 0.179 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.551 3.446 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.198 3.848 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.017 2.318 0.794 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.988 3.493 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.435 1.773 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.927 2.916 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.659 1.296 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.014 1.193 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.242 0.717 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.636 1.924 -2.164 1.00 0.00 H new ATOM 423 N LYS A 27 -11.206 4.064 1.174 1.00 0.00 N ATOM 424 CA LYS A 27 -12.564 3.952 1.779 1.00 0.00 C ATOM 425 C LYS A 27 -13.582 4.693 0.904 1.00 0.00 C ATOM 426 O LYS A 27 -14.699 4.251 0.719 1.00 0.00 O ATOM 427 CB LYS A 27 -12.435 4.645 3.135 1.00 0.00 C ATOM 428 CG LYS A 27 -13.238 3.876 4.184 1.00 0.00 C ATOM 429 CD LYS A 27 -14.593 4.555 4.382 1.00 0.00 C ATOM 430 CE LYS A 27 -15.651 3.498 4.701 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.632 3.368 6.185 1.00 0.00 N ATOM 0 H LYS A 27 -10.493 4.463 1.784 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.902 2.920 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.387 4.696 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.797 5.671 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.379 2.843 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.692 3.847 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.533 5.281 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.872 5.104 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.634 3.804 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.418 2.549 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.042 2.452 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.651 3.423 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.189 4.137 6.608 1.00 0.00 H new ATOM 445 N GLN A 28 -13.197 5.825 0.379 1.00 0.00 N ATOM 446 CA GLN A 28 -14.132 6.620 -0.477 1.00 0.00 C ATOM 447 C GLN A 28 -14.524 5.844 -1.743 1.00 0.00 C ATOM 448 O GLN A 28 -15.689 5.768 -2.084 1.00 0.00 O ATOM 449 CB GLN A 28 -13.367 7.894 -0.837 1.00 0.00 C ATOM 450 CG GLN A 28 -14.273 8.819 -1.654 1.00 0.00 C ATOM 451 CD GLN A 28 -15.396 9.354 -0.762 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.270 9.377 0.446 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.497 9.790 -1.311 1.00 0.00 N ATOM 0 H GLN A 28 -12.272 6.237 0.505 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.064 6.838 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.035 8.400 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.473 7.645 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.693 9.647 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.694 8.277 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.603 9.771 -2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.251 10.150 -0.726 1.00 0.00 H new ATOM 462 N GLU A 29 -13.579 5.258 -2.445 1.00 0.00 N ATOM 463 CA GLU A 29 -13.953 4.490 -3.674 1.00 0.00 C ATOM 464 C GLU A 29 -14.936 3.388 -3.268 1.00 0.00 C ATOM 465 O GLU A 29 -15.904 3.117 -3.951 1.00 0.00 O ATOM 466 CB GLU A 29 -12.640 3.930 -4.245 1.00 0.00 C ATOM 467 CG GLU A 29 -12.590 4.159 -5.761 1.00 0.00 C ATOM 468 CD GLU A 29 -13.859 3.614 -6.423 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.444 2.697 -5.875 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.223 4.126 -7.469 1.00 0.00 O ATOM 0 H GLU A 29 -12.583 5.278 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.444 5.097 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.789 4.415 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.563 2.865 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.490 5.224 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.713 3.667 -6.181 1.00 0.00 H new ATOM 477 N GLY A 30 -14.726 2.801 -2.117 1.00 0.00 N ATOM 478 CA GLY A 30 -15.676 1.775 -1.612 1.00 0.00 C ATOM 479 C GLY A 30 -15.438 0.396 -2.238 1.00 0.00 C ATOM 480 O GLY A 30 -16.295 -0.464 -2.179 1.00 0.00 O ATOM 0 H GLY A 30 -13.932 2.992 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.582 1.700 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.697 2.095 -1.822 1.00 0.00 H new ATOM 484 N LYS A 31 -14.297 0.162 -2.824 1.00 0.00 N ATOM 485 CA LYS A 31 -14.044 -1.183 -3.429 1.00 0.00 C ATOM 486 C LYS A 31 -13.598 -2.176 -2.353 1.00 0.00 C ATOM 487 O LYS A 31 -13.384 -1.812 -1.215 1.00 0.00 O ATOM 488 CB LYS A 31 -12.917 -0.960 -4.438 1.00 0.00 C ATOM 489 CG LYS A 31 -13.310 0.140 -5.434 1.00 0.00 C ATOM 490 CD LYS A 31 -14.762 -0.042 -5.898 1.00 0.00 C ATOM 491 CE LYS A 31 -14.932 -1.424 -6.535 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.771 -1.190 -7.744 1.00 0.00 N ATOM 0 H LYS A 31 -13.534 0.833 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.939 -1.595 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.002 -0.679 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.708 -1.887 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.192 1.118 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.642 0.114 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.440 0.065 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.024 0.735 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.968 -1.857 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.415 -2.119 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.932 -2.093 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.685 -0.784 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.283 -0.530 -8.383 1.00 0.00 H new ATOM 506 N GLU A 32 -13.440 -3.425 -2.707 1.00 0.00 N ATOM 507 CA GLU A 32 -12.983 -4.429 -1.702 1.00 0.00 C ATOM 508 C GLU A 32 -11.638 -5.009 -2.127 1.00 0.00 C ATOM 509 O GLU A 32 -11.566 -6.002 -2.825 1.00 0.00 O ATOM 510 CB GLU A 32 -14.043 -5.528 -1.645 1.00 0.00 C ATOM 511 CG GLU A 32 -14.497 -5.908 -3.058 1.00 0.00 C ATOM 512 CD GLU A 32 -15.414 -7.131 -2.988 1.00 0.00 C ATOM 513 OE1 GLU A 32 -14.927 -8.192 -2.635 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.587 -6.985 -3.289 1.00 0.00 O ATOM 0 H GLU A 32 -13.607 -3.791 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.856 -3.971 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.640 -6.405 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.898 -5.187 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.023 -5.072 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.631 -6.125 -3.684 1.00 0.00 H new ATOM 521 N GLY A 33 -10.571 -4.390 -1.710 1.00 0.00 N ATOM 522 CA GLY A 33 -9.226 -4.884 -2.078 1.00 0.00 C ATOM 523 C GLY A 33 -8.485 -3.822 -2.895 1.00 0.00 C ATOM 524 O GLY A 33 -7.562 -4.130 -3.618 1.00 0.00 O ATOM 0 H GLY A 33 -10.578 -3.555 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.659 -5.124 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.313 -5.804 -2.656 1.00 0.00 H new ATOM 528 N GLY A 34 -8.869 -2.569 -2.783 1.00 0.00 N ATOM 529 CA GLY A 34 -8.166 -1.502 -3.556 1.00 0.00 C ATOM 530 C GLY A 34 -6.663 -1.642 -3.340 1.00 0.00 C ATOM 531 O GLY A 34 -6.227 -2.115 -2.311 1.00 0.00 O ATOM 0 H GLY A 34 -9.635 -2.245 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.404 -1.587 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.503 -0.518 -3.231 1.00 0.00 H new ATOM 535 N PHE A 35 -5.872 -1.268 -4.306 1.00 0.00 N ATOM 536 CA PHE A 35 -4.396 -1.412 -4.150 1.00 0.00 C ATOM 537 C PHE A 35 -3.662 -0.168 -4.665 1.00 0.00 C ATOM 538 O PHE A 35 -3.827 0.235 -5.799 1.00 0.00 O ATOM 539 CB PHE A 35 -4.053 -2.635 -5.002 1.00 0.00 C ATOM 540 CG PHE A 35 -2.579 -2.939 -4.894 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.654 -2.169 -5.608 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.139 -3.995 -4.091 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.288 -2.456 -5.518 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.773 -4.283 -3.999 1.00 0.00 C ATOM 545 CZ PHE A 35 0.154 -3.514 -4.713 1.00 0.00 C ATOM 0 H PHE A 35 -6.181 -0.871 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.096 -1.525 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.636 -3.495 -4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.320 -2.451 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.995 -1.353 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.854 -4.589 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.426 -1.862 -6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.434 -5.098 -3.377 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.209 -3.736 -4.643 1.00 0.00 H new ATOM 555 N ILE A 36 -2.838 0.432 -3.841 1.00 0.00 N ATOM 556 CA ILE A 36 -2.074 1.638 -4.283 1.00 0.00 C ATOM 557 C ILE A 36 -0.627 1.533 -3.798 1.00 0.00 C ATOM 558 O ILE A 36 -0.320 0.756 -2.919 1.00 0.00 O ATOM 559 CB ILE A 36 -2.767 2.831 -3.625 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.239 2.864 -4.042 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.082 4.124 -4.076 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.924 4.088 -3.428 1.00 0.00 C ATOM 0 H ILE A 36 -2.662 0.137 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 1.737 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.701 2.738 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.318 2.898 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.740 1.953 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.573 4.978 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.033 4.102 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.152 4.214 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.972 4.107 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.858 4.035 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.430 4.995 -3.777 1.00 0.00 H new ATOM 574 N VAL A 37 0.265 2.306 -4.361 1.00 0.00 N ATOM 575 CA VAL A 37 1.691 2.241 -3.921 1.00 0.00 C ATOM 576 C VAL A 37 2.380 3.595 -4.115 1.00 0.00 C ATOM 577 O VAL A 37 2.073 4.332 -5.031 1.00 0.00 O ATOM 578 CB VAL A 37 2.354 1.192 -4.816 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.807 1.000 -4.368 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.611 -0.142 -4.703 1.00 0.00 C ATOM 0 H VAL A 37 0.069 2.977 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 37 1.766 1.987 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 37 2.322 1.531 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.287 0.254 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.342 1.946 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.827 0.664 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.091 -0.881 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.637 -0.486 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.575 -0.009 -5.015 1.00 0.00 H new ATOM 590 N ARG A 38 3.327 3.916 -3.270 1.00 0.00 N ATOM 591 CA ARG A 38 4.053 5.216 -3.423 1.00 0.00 C ATOM 592 C ARG A 38 5.483 5.090 -2.885 1.00 0.00 C ATOM 593 O ARG A 38 5.787 4.212 -2.101 1.00 0.00 O ATOM 594 CB ARG A 38 3.258 6.240 -2.606 1.00 0.00 C ATOM 595 CG ARG A 38 3.147 5.779 -1.147 1.00 0.00 C ATOM 596 CD ARG A 38 3.841 6.794 -0.235 1.00 0.00 C ATOM 597 NE ARG A 38 3.791 6.192 1.126 1.00 0.00 N ATOM 598 CZ ARG A 38 4.405 6.776 2.120 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.709 6.802 2.157 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.713 7.333 3.077 1.00 0.00 N ATOM 0 H ARG A 38 3.628 3.339 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 38 4.128 5.515 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.748 7.213 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.263 6.364 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.099 5.679 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.604 4.797 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.869 6.969 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.332 7.758 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 38 3.278 5.324 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.249 6.366 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.188 7.258 2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.694 7.312 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.192 7.789 3.854 1.00 0.00 H new ATOM 614 N ASP A 39 6.361 5.958 -3.312 1.00 0.00 N ATOM 615 CA ASP A 39 7.779 5.892 -2.837 1.00 0.00 C ATOM 616 C ASP A 39 7.895 6.414 -1.401 1.00 0.00 C ATOM 617 O ASP A 39 7.008 7.071 -0.895 1.00 0.00 O ATOM 618 CB ASP A 39 8.558 6.791 -3.798 1.00 0.00 C ATOM 619 CG ASP A 39 10.051 6.473 -3.697 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.385 5.299 -3.667 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.834 7.406 -3.651 1.00 0.00 O ATOM 0 H ASP A 39 6.160 6.711 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 39 8.159 4.871 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.211 6.637 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.381 7.839 -3.556 1.00 0.00 H new ATOM 626 N SER A 40 8.988 6.123 -0.744 1.00 0.00 N ATOM 627 CA SER A 40 9.171 6.598 0.662 1.00 0.00 C ATOM 628 C SER A 40 10.241 7.697 0.717 1.00 0.00 C ATOM 629 O SER A 40 10.376 8.484 -0.199 1.00 0.00 O ATOM 630 CB SER A 40 9.620 5.358 1.435 1.00 0.00 C ATOM 631 OG SER A 40 9.581 5.635 2.829 1.00 0.00 O ATOM 0 H SER A 40 9.763 5.577 -1.120 1.00 0.00 H new ATOM 0 HA SER A 40 8.262 7.030 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.970 4.515 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.629 5.075 1.137 1.00 0.00 H new ATOM 0 HG SER A 40 8.961 5.016 3.268 1.00 0.00 H new ATOM 637 N SER A 41 10.999 7.765 1.786 1.00 0.00 N ATOM 638 CA SER A 41 12.049 8.820 1.889 1.00 0.00 C ATOM 639 C SER A 41 13.248 8.311 2.694 1.00 0.00 C ATOM 640 O SER A 41 14.369 8.309 2.220 1.00 0.00 O ATOM 641 CB SER A 41 11.371 9.980 2.618 1.00 0.00 C ATOM 642 OG SER A 41 10.267 10.438 1.847 1.00 0.00 O ATOM 0 H SER A 41 10.934 7.137 2.587 1.00 0.00 H new ATOM 0 HA SER A 41 12.431 9.114 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.033 9.658 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.082 10.791 2.775 1.00 0.00 H new ATOM 0 HG SER A 41 9.829 11.181 2.312 1.00 0.00 H new ATOM 648 N LYS A 42 13.026 7.886 3.910 1.00 0.00 N ATOM 649 CA LYS A 42 14.155 7.381 4.749 1.00 0.00 C ATOM 650 C LYS A 42 14.879 6.235 4.036 1.00 0.00 C ATOM 651 O LYS A 42 16.015 6.367 3.623 1.00 0.00 O ATOM 652 CB LYS A 42 13.502 6.883 6.039 1.00 0.00 C ATOM 653 CG LYS A 42 12.946 8.074 6.822 1.00 0.00 C ATOM 654 CD LYS A 42 12.567 7.626 8.235 1.00 0.00 C ATOM 655 CE LYS A 42 12.771 8.786 9.211 1.00 0.00 C ATOM 656 NZ LYS A 42 11.705 8.618 10.237 1.00 0.00 N ATOM 0 H LYS A 42 12.111 7.866 4.360 1.00 0.00 H new ATOM 0 HA LYS A 42 14.900 8.153 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.701 6.181 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.231 6.345 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.689 8.870 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.073 8.482 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.528 7.297 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.178 6.774 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.762 8.752 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.684 9.748 8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.780 9.378 10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.772 8.661 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.817 7.697 10.707 1.00 0.00 H new ATOM 670 N ALA A 43 14.226 5.116 3.881 1.00 0.00 N ATOM 671 CA ALA A 43 14.870 3.961 3.188 1.00 0.00 C ATOM 672 C ALA A 43 14.674 4.076 1.679 1.00 0.00 C ATOM 673 O ALA A 43 15.298 3.372 0.908 1.00 0.00 O ATOM 674 CB ALA A 43 14.135 2.722 3.702 1.00 0.00 C ATOM 0 H ALA A 43 13.273 4.950 4.204 1.00 0.00 H new ATOM 0 HA ALA A 43 15.942 3.921 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.554 1.831 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.250 2.654 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.076 2.798 3.453 1.00 0.00 H new ATOM 680 N GLY A 44 13.783 4.926 1.253 1.00 0.00 N ATOM 681 CA GLY A 44 13.518 5.045 -0.202 1.00 0.00 C ATOM 682 C GLY A 44 12.787 3.778 -0.636 1.00 0.00 C ATOM 683 O GLY A 44 12.912 3.321 -1.756 1.00 0.00 O ATOM 0 H GLY A 44 13.229 5.541 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.914 5.928 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.451 5.159 -0.754 1.00 0.00 H new ATOM 687 N LYS A 45 12.029 3.202 0.262 1.00 0.00 N ATOM 688 CA LYS A 45 11.289 1.955 -0.062 1.00 0.00 C ATOM 689 C LYS A 45 9.913 2.302 -0.635 1.00 0.00 C ATOM 690 O LYS A 45 9.628 3.446 -0.928 1.00 0.00 O ATOM 691 CB LYS A 45 11.149 1.219 1.274 1.00 0.00 C ATOM 692 CG LYS A 45 10.309 2.053 2.250 1.00 0.00 C ATOM 693 CD LYS A 45 11.179 2.512 3.423 1.00 0.00 C ATOM 694 CE LYS A 45 10.285 2.984 4.574 1.00 0.00 C ATOM 695 NZ LYS A 45 10.649 2.116 5.729 1.00 0.00 N ATOM 0 H LYS A 45 11.893 3.548 1.212 1.00 0.00 H new ATOM 0 HA LYS A 45 11.801 1.346 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.679 0.248 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.135 1.031 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.890 2.918 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.469 1.463 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.817 1.694 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.837 3.321 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.458 4.036 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.230 2.882 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.077 2.381 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.468 1.121 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.657 2.240 5.952 1.00 0.00 H new ATOM 709 N TYR A 46 9.057 1.329 -0.797 1.00 0.00 N ATOM 710 CA TYR A 46 7.706 1.624 -1.353 1.00 0.00 C ATOM 711 C TYR A 46 6.621 1.206 -0.353 1.00 0.00 C ATOM 712 O TYR A 46 6.834 0.353 0.487 1.00 0.00 O ATOM 713 CB TYR A 46 7.610 0.787 -2.629 1.00 0.00 C ATOM 714 CG TYR A 46 8.684 1.203 -3.616 1.00 0.00 C ATOM 715 CD1 TYR A 46 10.038 0.963 -3.336 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.320 1.805 -4.826 1.00 0.00 C ATOM 717 CE1 TYR A 46 11.022 1.327 -4.261 1.00 0.00 C ATOM 718 CE2 TYR A 46 9.306 2.172 -5.750 1.00 0.00 C ATOM 719 CZ TYR A 46 10.656 1.932 -5.468 1.00 0.00 C ATOM 720 OH TYR A 46 11.626 2.293 -6.381 1.00 0.00 O ATOM 0 H TYR A 46 9.233 0.350 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 46 7.564 2.686 -1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.719 -0.270 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.625 0.911 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.321 0.496 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.279 1.986 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.063 1.141 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.025 2.641 -6.681 1.00 0.00 H new ATOM 0 HH TYR A 46 11.202 2.699 -7.165 1.00 0.00 H new ATOM 730 N THR A 47 5.456 1.792 -0.447 1.00 0.00 N ATOM 731 CA THR A 47 4.352 1.422 0.489 1.00 0.00 C ATOM 732 C THR A 47 3.117 1.031 -0.316 1.00 0.00 C ATOM 733 O THR A 47 2.682 1.765 -1.183 1.00 0.00 O ATOM 734 CB THR A 47 4.071 2.676 1.323 1.00 0.00 C ATOM 735 OG1 THR A 47 5.238 3.028 2.054 1.00 0.00 O ATOM 736 CG2 THR A 47 2.917 2.402 2.298 1.00 0.00 C ATOM 0 H THR A 47 5.221 2.511 -1.131 1.00 0.00 H new ATOM 0 HA THR A 47 4.617 0.577 1.125 1.00 0.00 H new ATOM 0 HB THR A 47 3.794 3.496 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.060 3.831 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.720 3.296 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.022 2.134 1.736 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.188 1.581 2.961 1.00 0.00 H new ATOM 744 N VAL A 48 2.554 -0.117 -0.044 1.00 0.00 N ATOM 745 CA VAL A 48 1.347 -0.552 -0.805 1.00 0.00 C ATOM 746 C VAL A 48 0.074 -0.302 0.014 1.00 0.00 C ATOM 747 O VAL A 48 -0.175 -0.959 1.004 1.00 0.00 O ATOM 748 CB VAL A 48 1.551 -2.048 -1.043 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.336 -2.626 -1.771 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.803 -2.261 -1.897 1.00 0.00 C ATOM 0 H VAL A 48 2.877 -0.770 0.670 1.00 0.00 H new ATOM 0 HA VAL A 48 1.228 -0.001 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 48 1.671 -2.552 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.486 -3.693 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.557 -2.476 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.212 -2.122 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.950 -3.327 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.681 -1.754 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.671 -1.854 -1.378 1.00 0.00 H new ATOM 760 N SER A 49 -0.731 0.641 -0.400 1.00 0.00 N ATOM 761 CA SER A 49 -1.990 0.939 0.345 1.00 0.00 C ATOM 762 C SER A 49 -3.158 0.147 -0.245 1.00 0.00 C ATOM 763 O SER A 49 -3.574 0.387 -1.362 1.00 0.00 O ATOM 764 CB SER A 49 -2.217 2.436 0.147 1.00 0.00 C ATOM 765 OG SER A 49 -1.701 3.144 1.267 1.00 0.00 O ATOM 0 H SER A 49 -0.570 1.219 -1.225 1.00 0.00 H new ATOM 0 HA SER A 49 -1.918 0.666 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.727 2.772 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.281 2.642 0.032 1.00 0.00 H new ATOM 0 HG SER A 49 -1.898 2.646 2.088 1.00 0.00 H new ATOM 771 N VAL A 50 -3.695 -0.792 0.490 1.00 0.00 N ATOM 772 CA VAL A 50 -4.839 -1.585 -0.053 1.00 0.00 C ATOM 773 C VAL A 50 -6.023 -1.569 0.924 1.00 0.00 C ATOM 774 O VAL A 50 -5.848 -1.680 2.122 1.00 0.00 O ATOM 775 CB VAL A 50 -4.300 -3.008 -0.219 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.221 -3.021 -1.303 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.698 -3.493 1.102 1.00 0.00 C ATOM 0 H VAL A 50 -3.396 -1.043 1.432 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.205 -1.175 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.117 -3.669 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.837 -4.034 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.649 -2.682 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.407 -2.356 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.316 -4.506 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.883 -2.831 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.466 -3.487 1.876 1.00 0.00 H new ATOM 787 N PHE A 51 -7.230 -1.423 0.429 1.00 0.00 N ATOM 788 CA PHE A 51 -8.404 -1.398 1.356 1.00 0.00 C ATOM 789 C PHE A 51 -9.560 -2.242 0.803 1.00 0.00 C ATOM 790 O PHE A 51 -9.512 -2.720 -0.309 1.00 0.00 O ATOM 791 CB PHE A 51 -8.806 0.084 1.431 1.00 0.00 C ATOM 792 CG PHE A 51 -10.230 0.267 0.941 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.512 0.194 -0.428 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.266 0.489 1.857 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.825 0.348 -0.881 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.581 0.638 1.403 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.860 0.569 0.035 1.00 0.00 C ATOM 0 H PHE A 51 -7.450 -1.322 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.162 -1.815 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.718 0.440 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.126 0.684 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.714 0.019 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.050 0.545 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.041 0.296 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.380 0.806 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.875 0.686 -0.315 1.00 0.00 H new ATOM 807 N ALA A 52 -10.615 -2.386 1.569 1.00 0.00 N ATOM 808 CA ALA A 52 -11.798 -3.154 1.083 1.00 0.00 C ATOM 809 C ALA A 52 -13.033 -2.852 1.939 1.00 0.00 C ATOM 810 O ALA A 52 -13.009 -2.003 2.804 1.00 0.00 O ATOM 811 CB ALA A 52 -11.429 -4.633 1.193 1.00 0.00 C ATOM 0 H ALA A 52 -10.705 -2.003 2.510 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.043 -2.879 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.264 -5.243 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.553 -4.836 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.207 -4.876 2.232 1.00 0.00 H new ATOM 817 N LYS A 53 -14.117 -3.536 1.685 1.00 0.00 N ATOM 818 CA LYS A 53 -15.367 -3.295 2.461 1.00 0.00 C ATOM 819 C LYS A 53 -15.900 -4.612 3.047 1.00 0.00 C ATOM 820 O LYS A 53 -17.095 -4.832 3.098 1.00 0.00 O ATOM 821 CB LYS A 53 -16.342 -2.754 1.421 1.00 0.00 C ATOM 822 CG LYS A 53 -16.092 -1.261 1.211 1.00 0.00 C ATOM 823 CD LYS A 53 -16.678 -0.480 2.387 1.00 0.00 C ATOM 824 CE LYS A 53 -18.050 0.077 2.005 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.763 1.237 1.116 1.00 0.00 N ATOM 0 H LYS A 53 -14.190 -4.257 0.967 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.216 -2.616 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.219 -3.289 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.368 -2.918 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.022 -1.068 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.549 -0.932 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.768 -1.129 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.009 0.334 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.651 -0.674 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.610 0.386 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.480 1.975 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.822 1.619 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.786 0.928 0.123 1.00 0.00 H new ATOM 839 N SER A 54 -15.032 -5.492 3.482 1.00 0.00 N ATOM 840 CA SER A 54 -15.516 -6.789 4.052 1.00 0.00 C ATOM 841 C SER A 54 -14.436 -7.445 4.923 1.00 0.00 C ATOM 842 O SER A 54 -13.782 -8.384 4.515 1.00 0.00 O ATOM 843 CB SER A 54 -15.821 -7.662 2.834 1.00 0.00 C ATOM 844 OG SER A 54 -16.393 -8.890 3.268 1.00 0.00 O ATOM 0 H SER A 54 -14.019 -5.371 3.468 1.00 0.00 H new ATOM 0 HA SER A 54 -16.386 -6.650 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.507 -7.144 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.908 -7.852 2.270 1.00 0.00 H new ATOM 0 HG SER A 54 -16.591 -9.452 2.490 1.00 0.00 H new ATOM 850 N THR A 55 -14.255 -6.959 6.124 1.00 0.00 N ATOM 851 CA THR A 55 -13.228 -7.547 7.044 1.00 0.00 C ATOM 852 C THR A 55 -13.425 -6.954 8.443 1.00 0.00 C ATOM 853 O THR A 55 -14.542 -6.693 8.846 1.00 0.00 O ATOM 854 CB THR A 55 -11.861 -7.149 6.474 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.972 -6.823 5.094 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.881 -8.309 6.645 1.00 0.00 C ATOM 0 H THR A 55 -14.778 -6.174 6.512 1.00 0.00 H new ATOM 0 HA THR A 55 -13.309 -8.631 7.120 1.00 0.00 H new ATOM 0 HB THR A 55 -11.497 -6.274 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.224 -7.624 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.909 -8.027 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.778 -8.545 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.256 -9.183 6.113 1.00 0.00 H new ATOM 864 N GLY A 56 -12.364 -6.711 9.181 1.00 0.00 N ATOM 865 CA GLY A 56 -12.529 -6.101 10.538 1.00 0.00 C ATOM 866 C GLY A 56 -13.451 -4.887 10.402 1.00 0.00 C ATOM 867 O GLY A 56 -14.219 -4.562 11.285 1.00 0.00 O ATOM 0 H GLY A 56 -11.402 -6.907 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.953 -6.826 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.562 -5.802 10.941 1.00 0.00 H new ATOM 871 N ASP A 57 -13.391 -4.245 9.266 1.00 0.00 N ATOM 872 CA ASP A 57 -14.265 -3.076 8.997 1.00 0.00 C ATOM 873 C ASP A 57 -15.173 -3.417 7.808 1.00 0.00 C ATOM 874 O ASP A 57 -14.871 -3.076 6.684 1.00 0.00 O ATOM 875 CB ASP A 57 -13.306 -1.950 8.626 1.00 0.00 C ATOM 876 CG ASP A 57 -13.825 -0.625 9.185 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.667 -0.021 8.540 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.374 -0.236 10.249 1.00 0.00 O ATOM 0 H ASP A 57 -12.760 -4.489 8.502 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.897 -2.802 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.313 -2.159 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.208 -1.885 7.542 1.00 0.00 H new ATOM 883 N PRO A 58 -16.252 -4.101 8.084 1.00 0.00 N ATOM 884 CA PRO A 58 -17.191 -4.519 7.012 1.00 0.00 C ATOM 885 C PRO A 58 -17.585 -3.355 6.103 1.00 0.00 C ATOM 886 O PRO A 58 -18.039 -3.555 4.993 1.00 0.00 O ATOM 887 CB PRO A 58 -18.389 -5.029 7.809 1.00 0.00 C ATOM 888 CG PRO A 58 -18.069 -4.924 9.311 1.00 0.00 C ATOM 889 CD PRO A 58 -16.613 -4.477 9.470 1.00 0.00 C ATOM 0 HA PRO A 58 -16.763 -5.258 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.277 -4.444 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.607 -6.063 7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.738 -4.210 9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.225 -5.886 9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.517 -3.637 10.158 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.980 -5.277 9.853 1.00 0.00 H new ATOM 897 N GLN A 59 -17.433 -2.151 6.562 1.00 0.00 N ATOM 898 CA GLN A 59 -17.822 -0.988 5.714 1.00 0.00 C ATOM 899 C GLN A 59 -16.614 -0.114 5.360 1.00 0.00 C ATOM 900 O GLN A 59 -16.770 1.042 5.022 1.00 0.00 O ATOM 901 CB GLN A 59 -18.822 -0.196 6.559 1.00 0.00 C ATOM 902 CG GLN A 59 -18.241 0.030 7.956 1.00 0.00 C ATOM 903 CD GLN A 59 -18.962 1.198 8.631 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.359 2.211 8.924 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.237 1.099 8.892 1.00 0.00 N ATOM 0 H GLN A 59 -17.059 -1.917 7.482 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.244 -1.317 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.038 0.761 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.765 -0.738 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.350 -0.873 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.174 0.240 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.743 0.248 8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.727 1.872 9.342 1.00 0.00 H new ATOM 914 N GLY A 60 -15.417 -0.644 5.408 1.00 0.00 N ATOM 915 CA GLY A 60 -14.241 0.191 5.043 1.00 0.00 C ATOM 916 C GLY A 60 -12.961 -0.349 5.686 1.00 0.00 C ATOM 917 O GLY A 60 -12.630 -0.009 6.805 1.00 0.00 O ATOM 0 H GLY A 60 -15.209 -1.605 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.127 0.210 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.407 1.219 5.364 1.00 0.00 H new ATOM 921 N VAL A 61 -12.227 -1.174 4.982 1.00 0.00 N ATOM 922 CA VAL A 61 -10.960 -1.723 5.552 1.00 0.00 C ATOM 923 C VAL A 61 -9.763 -1.211 4.779 1.00 0.00 C ATOM 924 O VAL A 61 -9.808 -1.049 3.583 1.00 0.00 O ATOM 925 CB VAL A 61 -11.047 -3.238 5.393 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.831 -3.891 6.053 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.324 -3.751 6.044 1.00 0.00 C ATOM 0 H VAL A 61 -12.451 -1.490 4.038 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.840 -1.423 6.593 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.061 -3.490 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.893 -4.973 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.920 -3.528 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.813 -3.638 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.382 -4.833 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.318 -3.499 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.187 -3.288 5.566 1.00 0.00 H new ATOM 937 N ILE A 62 -8.696 -0.947 5.469 1.00 0.00 N ATOM 938 CA ILE A 62 -7.473 -0.422 4.798 1.00 0.00 C ATOM 939 C ILE A 62 -6.209 -0.994 5.447 1.00 0.00 C ATOM 940 O ILE A 62 -6.233 -1.481 6.560 1.00 0.00 O ATOM 941 CB ILE A 62 -7.532 1.095 4.997 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.971 1.500 5.359 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.097 1.785 3.701 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.095 3.012 5.452 1.00 0.00 C ATOM 0 H ILE A 62 -8.614 -1.072 6.478 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.438 -0.700 3.745 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.864 1.397 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.662 1.119 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.253 1.048 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.136 2.866 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.078 1.486 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.767 1.494 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.120 3.278 5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.419 3.386 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.834 3.458 4.492 1.00 0.00 H new ATOM 956 N ARG A 63 -5.106 -0.928 4.751 1.00 0.00 N ATOM 957 CA ARG A 63 -3.823 -1.453 5.305 1.00 0.00 C ATOM 958 C ARG A 63 -2.680 -1.116 4.345 1.00 0.00 C ATOM 959 O ARG A 63 -2.657 -1.567 3.216 1.00 0.00 O ATOM 960 CB ARG A 63 -4.015 -2.969 5.402 1.00 0.00 C ATOM 961 CG ARG A 63 -3.380 -3.483 6.697 1.00 0.00 C ATOM 962 CD ARG A 63 -3.851 -4.915 6.969 1.00 0.00 C ATOM 963 NE ARG A 63 -4.670 -4.823 8.210 1.00 0.00 N ATOM 964 CZ ARG A 63 -4.368 -5.557 9.247 1.00 0.00 C ATOM 965 NH1 ARG A 63 -3.178 -5.477 9.777 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.255 -6.369 9.752 1.00 0.00 N ATOM 0 H ARG A 63 -5.038 -0.530 3.814 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.576 -1.020 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.077 -3.214 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.560 -3.460 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.293 -3.456 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.654 -2.835 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.438 -5.302 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.005 -5.590 7.103 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.466 -4.187 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.485 -4.842 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.941 -6.050 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.185 -6.431 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.019 -6.942 10.562 1.00 0.00 H new ATOM 980 N HIS A 64 -1.736 -0.318 4.775 1.00 0.00 N ATOM 981 CA HIS A 64 -0.609 0.048 3.866 1.00 0.00 C ATOM 982 C HIS A 64 0.595 -0.855 4.110 1.00 0.00 C ATOM 983 O HIS A 64 1.308 -0.709 5.085 1.00 0.00 O ATOM 984 CB HIS A 64 -0.243 1.503 4.190 1.00 0.00 C ATOM 985 CG HIS A 64 -1.486 2.291 4.495 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.540 2.380 3.601 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.861 3.022 5.594 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.491 3.138 4.173 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.129 3.555 5.389 1.00 0.00 N ATOM 0 H HIS A 64 -1.697 0.093 5.708 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.900 -0.070 2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.436 1.535 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.283 1.950 3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.263 3.162 6.482 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.434 3.381 3.706 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.667 4.139 6.030 1.00 0.00 H new ATOM 997 N TYR A 65 0.843 -1.769 3.216 1.00 0.00 N ATOM 998 CA TYR A 65 2.022 -2.662 3.375 1.00 0.00 C ATOM 999 C TYR A 65 3.257 -1.902 2.919 1.00 0.00 C ATOM 1000 O TYR A 65 3.302 -1.389 1.823 1.00 0.00 O ATOM 1001 CB TYR A 65 1.772 -3.843 2.447 1.00 0.00 C ATOM 1002 CG TYR A 65 0.368 -4.387 2.639 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.255 -4.313 3.893 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.305 -4.972 1.559 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.545 -4.826 4.065 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.596 -5.482 1.733 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.216 -5.411 2.985 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.489 -5.916 3.155 1.00 0.00 O ATOM 0 H TYR A 65 0.280 -1.936 2.382 1.00 0.00 H new ATOM 0 HA TYR A 65 2.168 -2.991 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.909 -3.533 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.502 -4.628 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.261 -3.860 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.173 -5.029 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.023 -4.771 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.115 -5.931 0.899 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.810 -6.285 2.306 1.00 0.00 H new ATOM 1018 N VAL A 66 4.249 -1.810 3.742 1.00 0.00 N ATOM 1019 CA VAL A 66 5.463 -1.056 3.330 1.00 0.00 C ATOM 1020 C VAL A 66 6.651 -1.997 3.173 1.00 0.00 C ATOM 1021 O VAL A 66 6.616 -3.137 3.588 1.00 0.00 O ATOM 1022 CB VAL A 66 5.727 -0.054 4.455 1.00 0.00 C ATOM 1023 CG1 VAL A 66 6.930 0.817 4.084 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.498 0.839 4.649 1.00 0.00 C ATOM 0 H VAL A 66 4.279 -2.218 4.676 1.00 0.00 H new ATOM 0 HA VAL A 66 5.319 -0.560 2.370 1.00 0.00 H new ATOM 0 HB VAL A 66 5.933 -0.594 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.121 1.533 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.807 0.185 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.719 1.354 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.689 1.552 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.291 1.379 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.638 0.222 4.909 1.00 0.00 H new ATOM 1034 N VAL A 67 7.705 -1.522 2.577 1.00 0.00 N ATOM 1035 CA VAL A 67 8.900 -2.379 2.393 1.00 0.00 C ATOM 1036 C VAL A 67 10.074 -1.828 3.202 1.00 0.00 C ATOM 1037 O VAL A 67 10.454 -0.683 3.062 1.00 0.00 O ATOM 1038 CB VAL A 67 9.202 -2.314 0.898 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.503 -3.063 0.617 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.056 -2.961 0.115 1.00 0.00 C ATOM 0 H VAL A 67 7.789 -0.574 2.209 1.00 0.00 H new ATOM 0 HA VAL A 67 8.734 -3.401 2.733 1.00 0.00 H new ATOM 0 HB VAL A 67 9.305 -1.274 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.724 -3.020 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.317 -2.601 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.397 -4.103 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.273 -2.914 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.951 -4.003 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.128 -2.427 0.321 1.00 0.00 H new ATOM 1050 N CYS A 68 10.662 -2.640 4.030 1.00 0.00 N ATOM 1051 CA CYS A 68 11.826 -2.172 4.828 1.00 0.00 C ATOM 1052 C CYS A 68 13.098 -2.389 4.013 1.00 0.00 C ATOM 1053 O CYS A 68 13.126 -3.209 3.118 1.00 0.00 O ATOM 1054 CB CYS A 68 11.828 -3.038 6.088 1.00 0.00 C ATOM 1055 SG CYS A 68 12.809 -2.229 7.377 1.00 0.00 S ATOM 0 H CYS A 68 10.387 -3.609 4.190 1.00 0.00 H new ATOM 0 HA CYS A 68 11.772 -1.114 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.807 -3.193 6.437 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.242 -4.022 5.865 1.00 0.00 H new ATOM 0 HG CYS A 68 12.809 -2.965 8.449 1.00 0.00 H new ATOM 1061 N SER A 69 14.143 -1.659 4.290 1.00 0.00 N ATOM 1062 CA SER A 69 15.390 -1.838 3.494 1.00 0.00 C ATOM 1063 C SER A 69 16.613 -1.995 4.396 1.00 0.00 C ATOM 1064 O SER A 69 16.739 -1.349 5.419 1.00 0.00 O ATOM 1065 CB SER A 69 15.508 -0.564 2.664 1.00 0.00 C ATOM 1066 OG SER A 69 14.712 -0.688 1.494 1.00 0.00 O ATOM 0 H SER A 69 14.188 -0.953 5.025 1.00 0.00 H new ATOM 0 HA SER A 69 15.347 -2.738 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.182 0.296 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.549 -0.389 2.392 1.00 0.00 H new ATOM 0 HG SER A 69 15.169 -1.264 0.847 1.00 0.00 H new ATOM 1072 N THR A 70 17.524 -2.841 4.003 1.00 0.00 N ATOM 1073 CA THR A 70 18.767 -3.046 4.801 1.00 0.00 C ATOM 1074 C THR A 70 19.970 -2.571 3.967 1.00 0.00 C ATOM 1075 O THR A 70 19.884 -2.517 2.756 1.00 0.00 O ATOM 1076 CB THR A 70 18.818 -4.555 5.079 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.872 -4.838 5.987 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.050 -5.325 3.779 1.00 0.00 C ATOM 0 H THR A 70 17.461 -3.405 3.155 1.00 0.00 H new ATOM 0 HA THR A 70 18.786 -2.486 5.736 1.00 0.00 H new ATOM 0 HB THR A 70 17.867 -4.864 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.901 -5.801 6.164 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.084 -6.394 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.236 -5.118 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.995 -5.013 3.335 1.00 0.00 H new ATOM 1086 N PRO A 71 21.047 -2.212 4.627 1.00 0.00 N ATOM 1087 CA PRO A 71 22.244 -1.706 3.908 1.00 0.00 C ATOM 1088 C PRO A 71 22.877 -2.750 2.981 1.00 0.00 C ATOM 1089 O PRO A 71 23.868 -2.478 2.332 1.00 0.00 O ATOM 1090 CB PRO A 71 23.192 -1.327 5.049 1.00 0.00 C ATOM 1091 CG PRO A 71 22.497 -1.633 6.390 1.00 0.00 C ATOM 1092 CD PRO A 71 21.133 -2.276 6.106 1.00 0.00 C ATOM 0 HA PRO A 71 22.002 -0.879 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.123 -1.888 4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.451 -0.270 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.113 -2.304 6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.369 -0.717 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.085 -3.302 6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.320 -1.729 6.583 1.00 0.00 H new ATOM 1100 N GLN A 72 22.318 -3.921 2.883 1.00 0.00 N ATOM 1101 CA GLN A 72 22.902 -4.933 1.964 1.00 0.00 C ATOM 1102 C GLN A 72 22.156 -4.871 0.622 1.00 0.00 C ATOM 1103 O GLN A 72 22.095 -5.832 -0.114 1.00 0.00 O ATOM 1104 CB GLN A 72 22.683 -6.270 2.678 1.00 0.00 C ATOM 1105 CG GLN A 72 23.277 -7.417 1.853 1.00 0.00 C ATOM 1106 CD GLN A 72 24.773 -7.535 2.148 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.595 -7.127 1.352 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.164 -8.080 3.268 1.00 0.00 N ATOM 0 H GLN A 72 21.488 -4.220 3.395 1.00 0.00 H new ATOM 0 HA GLN A 72 23.958 -4.776 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.147 -6.244 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.617 -6.438 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.773 -8.353 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.118 -7.235 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.474 -8.423 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.159 -8.163 3.475 1.00 0.00 H new ATOM 1117 N SER A 73 21.580 -3.730 0.308 1.00 0.00 N ATOM 1118 CA SER A 73 20.818 -3.584 -0.971 1.00 0.00 C ATOM 1119 C SER A 73 19.679 -4.605 -0.998 1.00 0.00 C ATOM 1120 O SER A 73 19.500 -5.334 -1.953 1.00 0.00 O ATOM 1121 CB SER A 73 21.835 -3.846 -2.092 1.00 0.00 C ATOM 1122 OG SER A 73 21.851 -5.230 -2.421 1.00 0.00 O ATOM 0 H SER A 73 21.607 -2.892 0.888 1.00 0.00 H new ATOM 0 HA SER A 73 20.368 -2.598 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.578 -3.257 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.828 -3.528 -1.775 1.00 0.00 H new ATOM 0 HG SER A 73 22.076 -5.753 -1.624 1.00 0.00 H new ATOM 1128 N GLN A 74 18.921 -4.675 0.067 1.00 0.00 N ATOM 1129 CA GLN A 74 17.810 -5.668 0.130 1.00 0.00 C ATOM 1130 C GLN A 74 16.534 -5.023 0.686 1.00 0.00 C ATOM 1131 O GLN A 74 16.551 -3.901 1.155 1.00 0.00 O ATOM 1132 CB GLN A 74 18.315 -6.761 1.075 1.00 0.00 C ATOM 1133 CG GLN A 74 19.845 -6.767 1.091 1.00 0.00 C ATOM 1134 CD GLN A 74 20.351 -8.106 1.636 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.452 -8.289 2.833 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.675 -9.054 0.802 1.00 0.00 N ATOM 0 H GLN A 74 19.025 -4.087 0.894 1.00 0.00 H new ATOM 0 HA GLN A 74 17.555 -6.059 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.932 -6.590 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.942 -7.733 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.229 -6.605 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.215 -5.949 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.590 -8.900 -0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.013 -9.949 1.154 1.00 0.00 H new ATOM 1145 N TYR A 75 15.424 -5.717 0.614 1.00 0.00 N ATOM 1146 CA TYR A 75 14.135 -5.127 1.117 1.00 0.00 C ATOM 1147 C TYR A 75 13.210 -6.201 1.703 1.00 0.00 C ATOM 1148 O TYR A 75 13.313 -7.364 1.380 1.00 0.00 O ATOM 1149 CB TYR A 75 13.459 -4.515 -0.111 1.00 0.00 C ATOM 1150 CG TYR A 75 14.420 -3.627 -0.859 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.388 -4.193 -1.692 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.339 -2.241 -0.722 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.279 -3.375 -2.385 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.228 -1.418 -1.417 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.201 -1.984 -2.250 1.00 0.00 C ATOM 1156 OH TYR A 75 17.080 -1.173 -2.937 1.00 0.00 O ATOM 0 H TYR A 75 15.350 -6.660 0.232 1.00 0.00 H new ATOM 0 HA TYR A 75 14.332 -4.403 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.101 -5.307 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.587 -3.938 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.446 -5.266 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.589 -1.805 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.029 -3.814 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.165 -0.345 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 75 16.888 -0.234 -2.732 1.00 0.00 H new ATOM 1166 N TYR A 76 12.280 -5.802 2.539 1.00 0.00 N ATOM 1167 CA TYR A 76 11.315 -6.785 3.137 1.00 0.00 C ATOM 1168 C TYR A 76 10.309 -6.075 4.051 1.00 0.00 C ATOM 1169 O TYR A 76 10.567 -5.005 4.559 1.00 0.00 O ATOM 1170 CB TYR A 76 12.166 -7.753 3.981 1.00 0.00 C ATOM 1171 CG TYR A 76 12.915 -6.988 5.051 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.267 -6.650 6.244 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.255 -6.632 4.861 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.953 -5.957 7.244 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.943 -5.940 5.862 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.292 -5.602 7.055 1.00 0.00 C ATOM 1177 OH TYR A 76 14.972 -4.919 8.043 1.00 0.00 O ATOM 0 H TYR A 76 12.146 -4.835 2.835 1.00 0.00 H new ATOM 0 HA TYR A 76 10.751 -7.297 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.526 -8.506 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.871 -8.283 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.233 -6.926 6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.758 -6.892 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.449 -5.695 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.977 -5.666 5.715 1.00 0.00 H new ATOM 0 HH TYR A 76 14.592 -4.021 8.141 1.00 0.00 H new ATOM 1187 N LEU A 77 9.194 -6.704 4.318 1.00 0.00 N ATOM 1188 CA LEU A 77 8.199 -6.107 5.260 1.00 0.00 C ATOM 1189 C LEU A 77 8.425 -6.789 6.612 1.00 0.00 C ATOM 1190 O LEU A 77 7.887 -6.411 7.635 1.00 0.00 O ATOM 1191 CB LEU A 77 6.819 -6.456 4.690 1.00 0.00 C ATOM 1192 CG LEU A 77 5.808 -5.373 5.085 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.836 -5.126 3.928 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.020 -5.828 6.316 1.00 0.00 C ATOM 0 H LEU A 77 8.929 -7.607 3.924 1.00 0.00 H new ATOM 0 HA LEU A 77 8.286 -5.027 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.873 -6.538 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.494 -7.426 5.067 1.00 0.00 H new ATOM 0 HG LEU A 77 6.344 -4.452 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.119 -4.356 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.392 -4.797 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.304 -6.049 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.302 -5.056 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.489 -6.752 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.707 -6.000 7.145 1.00 0.00 H new ATOM 1206 N ALA A 78 9.278 -7.778 6.591 1.00 0.00 N ATOM 1207 CA ALA A 78 9.670 -8.532 7.804 1.00 0.00 C ATOM 1208 C ALA A 78 11.061 -9.101 7.526 1.00 0.00 C ATOM 1209 O ALA A 78 11.259 -9.815 6.562 1.00 0.00 O ATOM 1210 CB ALA A 78 8.633 -9.646 7.953 1.00 0.00 C ATOM 0 H ALA A 78 9.736 -8.103 5.740 1.00 0.00 H new ATOM 0 HA ALA A 78 9.703 -7.935 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.865 -10.244 8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.641 -9.207 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.653 -10.282 7.068 1.00 0.00 H new ATOM 1216 N GLU A 79 12.037 -8.765 8.328 1.00 0.00 N ATOM 1217 CA GLU A 79 13.429 -9.260 8.073 1.00 0.00 C ATOM 1218 C GLU A 79 13.443 -10.764 7.796 1.00 0.00 C ATOM 1219 O GLU A 79 14.384 -11.289 7.235 1.00 0.00 O ATOM 1220 CB GLU A 79 14.205 -8.945 9.351 1.00 0.00 C ATOM 1221 CG GLU A 79 14.818 -7.551 9.237 1.00 0.00 C ATOM 1222 CD GLU A 79 15.804 -7.329 10.385 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.755 -8.089 10.478 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.593 -6.404 11.151 1.00 0.00 O ATOM 0 H GLU A 79 11.934 -8.169 9.150 1.00 0.00 H new ATOM 0 HA GLU A 79 13.867 -8.785 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.542 -8.994 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.987 -9.687 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.329 -7.444 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.034 -6.794 9.266 1.00 0.00 H new ATOM 1231 N LYS A 80 12.403 -11.453 8.179 1.00 0.00 N ATOM 1232 CA LYS A 80 12.333 -12.929 7.935 1.00 0.00 C ATOM 1233 C LYS A 80 12.848 -13.264 6.530 1.00 0.00 C ATOM 1234 O LYS A 80 13.523 -14.253 6.323 1.00 0.00 O ATOM 1235 CB LYS A 80 10.847 -13.275 8.048 1.00 0.00 C ATOM 1236 CG LYS A 80 10.634 -14.281 9.184 1.00 0.00 C ATOM 1237 CD LYS A 80 10.535 -15.697 8.608 1.00 0.00 C ATOM 1238 CE LYS A 80 11.684 -16.554 9.143 1.00 0.00 C ATOM 1239 NZ LYS A 80 11.314 -17.955 8.796 1.00 0.00 N ATOM 0 H LYS A 80 11.592 -11.057 8.654 1.00 0.00 H new ATOM 0 HA LYS A 80 12.945 -13.491 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.267 -12.372 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.489 -13.693 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.460 -14.223 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.725 -14.037 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.579 -16.144 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.572 -15.660 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.633 -16.272 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.800 -16.431 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.055 -18.603 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.410 -18.198 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.218 -18.043 7.764 1.00 0.00 H new ATOM 1253 N HIS A 81 12.540 -12.434 5.569 1.00 0.00 N ATOM 1254 CA HIS A 81 13.014 -12.683 4.178 1.00 0.00 C ATOM 1255 C HIS A 81 13.067 -11.357 3.425 1.00 0.00 C ATOM 1256 O HIS A 81 12.218 -10.505 3.600 1.00 0.00 O ATOM 1257 CB HIS A 81 11.976 -13.614 3.553 1.00 0.00 C ATOM 1258 CG HIS A 81 12.177 -15.012 4.071 1.00 0.00 C ATOM 1259 ND1 HIS A 81 11.231 -15.650 4.858 1.00 0.00 N ATOM 1260 CD2 HIS A 81 13.208 -15.906 3.924 1.00 0.00 C ATOM 1261 CE1 HIS A 81 11.709 -16.874 5.153 1.00 0.00 C ATOM 1262 NE2 HIS A 81 12.911 -17.081 4.607 1.00 0.00 N ATOM 0 H HIS A 81 11.978 -11.591 5.689 1.00 0.00 H new ATOM 0 HA HIS A 81 14.010 -13.125 4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.971 -13.267 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.068 -13.601 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.113 -15.725 3.363 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.185 -17.600 5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.487 -17.920 4.676 1.00 0.00 H new ATOM 1270 N LEU A 82 14.059 -11.161 2.602 1.00 0.00 N ATOM 1271 CA LEU A 82 14.151 -9.877 1.867 1.00 0.00 C ATOM 1272 C LEU A 82 14.805 -10.082 0.498 1.00 0.00 C ATOM 1273 O LEU A 82 15.697 -10.892 0.338 1.00 0.00 O ATOM 1274 CB LEU A 82 15.005 -8.977 2.772 1.00 0.00 C ATOM 1275 CG LEU A 82 16.431 -9.510 2.864 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.333 -8.427 3.459 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.474 -10.748 3.767 1.00 0.00 C ATOM 0 H LEU A 82 14.803 -11.831 2.410 1.00 0.00 H new ATOM 0 HA LEU A 82 13.174 -9.438 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.015 -7.961 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.564 -8.929 3.767 1.00 0.00 H new ATOM 0 HG LEU A 82 16.776 -9.782 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.354 -8.801 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.312 -7.544 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.976 -8.162 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.497 -11.120 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.127 -10.482 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.829 -11.523 3.353 1.00 0.00 H new ATOM 1289 N PHE A 83 14.365 -9.351 -0.489 1.00 0.00 N ATOM 1290 CA PHE A 83 14.955 -9.495 -1.849 1.00 0.00 C ATOM 1291 C PHE A 83 15.678 -8.199 -2.236 1.00 0.00 C ATOM 1292 O PHE A 83 16.275 -7.558 -1.397 1.00 0.00 O ATOM 1293 CB PHE A 83 13.761 -9.791 -2.758 1.00 0.00 C ATOM 1294 CG PHE A 83 13.352 -11.230 -2.559 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.766 -11.630 -1.352 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.569 -12.169 -3.576 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.396 -12.967 -1.162 1.00 0.00 C ATOM 1298 CE2 PHE A 83 13.197 -13.506 -3.386 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.612 -13.905 -2.179 1.00 0.00 C ATOM 0 H PHE A 83 13.620 -8.658 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 83 15.701 -10.286 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.931 -9.125 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.025 -9.613 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.599 -10.907 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.023 -11.862 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.944 -13.275 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 83 13.362 -14.229 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.327 -14.936 -2.032 1.00 0.00 H new ATOM 1309 N SER A 84 15.659 -7.810 -3.487 1.00 0.00 N ATOM 1310 CA SER A 84 16.384 -6.562 -3.875 1.00 0.00 C ATOM 1311 C SER A 84 15.417 -5.457 -4.331 1.00 0.00 C ATOM 1312 O SER A 84 15.845 -4.397 -4.745 1.00 0.00 O ATOM 1313 CB SER A 84 17.292 -6.982 -5.029 1.00 0.00 C ATOM 1314 OG SER A 84 18.311 -7.841 -4.536 1.00 0.00 O ATOM 0 H SER A 84 15.180 -8.295 -4.246 1.00 0.00 H new ATOM 0 HA SER A 84 16.936 -6.146 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.711 -7.492 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.736 -6.103 -5.496 1.00 0.00 H new ATOM 0 HG SER A 84 18.895 -8.114 -5.275 1.00 0.00 H new ATOM 1320 N THR A 85 14.126 -5.675 -4.257 1.00 0.00 N ATOM 1321 CA THR A 85 13.163 -4.603 -4.682 1.00 0.00 C ATOM 1322 C THR A 85 11.725 -4.987 -4.308 1.00 0.00 C ATOM 1323 O THR A 85 11.442 -6.125 -3.978 1.00 0.00 O ATOM 1324 CB THR A 85 13.273 -4.498 -6.212 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.567 -4.887 -6.649 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.004 -3.053 -6.638 1.00 0.00 C ATOM 0 H THR A 85 13.698 -6.539 -3.925 1.00 0.00 H new ATOM 0 HA THR A 85 13.399 -3.660 -4.189 1.00 0.00 H new ATOM 0 HB THR A 85 12.538 -5.164 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.234 -4.266 -6.289 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.081 -2.973 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.002 -2.761 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.737 -2.394 -6.173 1.00 0.00 H new ATOM 1334 N ILE A 86 10.808 -4.049 -4.375 1.00 0.00 N ATOM 1335 CA ILE A 86 9.385 -4.371 -4.041 1.00 0.00 C ATOM 1336 C ILE A 86 8.852 -5.507 -4.937 1.00 0.00 C ATOM 1337 O ILE A 86 8.257 -6.438 -4.435 1.00 0.00 O ATOM 1338 CB ILE A 86 8.557 -3.100 -4.292 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.337 -1.832 -3.927 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.285 -3.155 -3.445 1.00 0.00 C ATOM 1341 CD1 ILE A 86 9.893 -1.933 -2.505 1.00 0.00 C ATOM 0 H ILE A 86 10.983 -3.081 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 86 9.314 -4.698 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 86 8.317 -3.061 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.154 -1.685 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.686 -0.962 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.693 -2.256 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.701 -4.033 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.553 -3.215 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.444 -1.024 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.070 -2.057 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.562 -2.791 -2.436 1.00 0.00 H new ATOM 1353 N PRO A 87 9.057 -5.401 -6.242 1.00 0.00 N ATOM 1354 CA PRO A 87 8.552 -6.449 -7.163 1.00 0.00 C ATOM 1355 C PRO A 87 9.118 -7.817 -6.785 1.00 0.00 C ATOM 1356 O PRO A 87 8.400 -8.795 -6.716 1.00 0.00 O ATOM 1357 CB PRO A 87 9.067 -5.985 -8.529 1.00 0.00 C ATOM 1358 CG PRO A 87 9.848 -4.672 -8.343 1.00 0.00 C ATOM 1359 CD PRO A 87 9.794 -4.269 -6.863 1.00 0.00 C ATOM 0 HA PRO A 87 7.469 -6.567 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.710 -6.748 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.234 -5.835 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.882 -4.800 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.418 -3.886 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.791 -4.154 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.275 -3.321 -6.720 1.00 0.00 H new ATOM 1367 N GLU A 88 10.395 -7.894 -6.524 1.00 0.00 N ATOM 1368 CA GLU A 88 10.990 -9.204 -6.134 1.00 0.00 C ATOM 1369 C GLU A 88 10.299 -9.717 -4.868 1.00 0.00 C ATOM 1370 O GLU A 88 9.966 -10.881 -4.757 1.00 0.00 O ATOM 1371 CB GLU A 88 12.467 -8.915 -5.868 1.00 0.00 C ATOM 1372 CG GLU A 88 13.286 -10.176 -6.144 1.00 0.00 C ATOM 1373 CD GLU A 88 13.520 -10.316 -7.649 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.559 -10.201 -8.392 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.657 -10.535 -8.033 1.00 0.00 O ATOM 0 H GLU A 88 11.048 -7.112 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 88 10.869 -9.967 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.810 -8.098 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.607 -8.595 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.241 -10.124 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.762 -11.053 -5.764 1.00 0.00 H new ATOM 1382 N LEU A 89 10.068 -8.846 -3.922 1.00 0.00 N ATOM 1383 CA LEU A 89 9.383 -9.271 -2.667 1.00 0.00 C ATOM 1384 C LEU A 89 7.970 -9.762 -2.995 1.00 0.00 C ATOM 1385 O LEU A 89 7.595 -10.871 -2.671 1.00 0.00 O ATOM 1386 CB LEU A 89 9.327 -8.015 -1.790 1.00 0.00 C ATOM 1387 CG LEU A 89 10.319 -8.150 -0.631 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.991 -6.798 -0.366 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.572 -8.602 0.627 1.00 0.00 C ATOM 0 H LEU A 89 10.324 -7.860 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 89 9.903 -10.086 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.566 -7.133 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.318 -7.875 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 89 11.080 -8.886 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.696 -6.898 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.523 -6.474 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.232 -6.059 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.276 -8.699 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.811 -7.865 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.096 -9.565 0.441 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.531 -3.536 -7.224 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.267 -2.411 -7.871 1.00 0.00 C ATOM 1664 C TYR A 106 -7.365 -1.164 -7.924 1.00 0.00 C ATOM 1665 O TYR A 106 -6.964 -0.658 -6.896 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.492 -2.176 -6.981 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.115 -0.842 -7.314 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.618 -0.602 -8.599 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.182 0.157 -6.339 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.188 0.639 -8.907 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -10.752 1.397 -6.644 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.255 1.639 -7.929 1.00 0.00 C ATOM 1673 OH TYR A 106 -11.816 2.863 -8.233 1.00 0.00 O ATOM 0 HA TYR A 106 -8.560 -2.630 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.219 -2.975 -7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.201 -2.200 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.566 -1.374 -9.352 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.793 -0.029 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.576 0.825 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.804 2.168 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.505 2.745 -8.920 1.00 0.00 H new ATOM 1683 N PRO A 107 -7.063 -0.711 -9.121 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.189 0.478 -9.290 1.00 0.00 C ATOM 1685 C PRO A 107 -6.841 1.743 -8.719 1.00 0.00 C ATOM 1686 O PRO A 107 -7.964 2.076 -9.039 1.00 0.00 O ATOM 1687 CB PRO A 107 -6.048 0.580 -10.812 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.855 -0.560 -11.464 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.564 -1.355 -10.361 1.00 0.00 C ATOM 0 HA PRO A 107 -5.238 0.384 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.411 1.547 -11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.999 0.512 -11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.584 -0.154 -12.165 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.194 -1.212 -12.034 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.649 -1.284 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.310 -2.414 -10.398 1.00 0.00 H new