USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 356 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 Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.531! C(o=-1.8!,f=-0.53!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -9:sc= 0.242 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 172:sc= 0 (180deg=-0.00769) USER MOD Single : A 43 THR OG1 : rot 63:sc= 0.216 USER MOD Single : A 44 THR OG1 : rot 66:sc= -0.041 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.64! C(o=-5.9!,f=-3.6!) USER MOD Single : A 52 THR OG1 : rot -22:sc= 1.32 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.194) USER MOD Single : A 59 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 164 N GLY A 12 56.762 -6.361 -13.173 1.00 1.00 N ATOM 165 CA GLY A 12 56.059 -6.078 -11.928 1.00 1.00 C ATOM 166 C GLY A 12 54.640 -6.634 -11.966 1.00 1.00 C ATOM 167 O GLY A 12 53.744 -6.122 -11.297 1.00 1.00 O ATOM 0 HA2 GLY A 12 56.603 -6.516 -11.091 1.00 1.00 H new ATOM 0 HA3 GLY A 12 56.028 -5.001 -11.760 1.00 1.00 H new ATOM 171 N ALA A 13 54.448 -7.685 -12.756 1.00 1.00 N ATOM 172 CA ALA A 13 53.136 -8.311 -12.880 1.00 1.00 C ATOM 173 C ALA A 13 53.122 -9.667 -12.181 1.00 1.00 C ATOM 174 O ALA A 13 52.119 -10.058 -11.584 1.00 1.00 O ATOM 175 CB ALA A 13 52.783 -8.496 -14.358 1.00 1.00 C ATOM 0 H ALA A 13 55.180 -8.120 -13.318 1.00 1.00 H new ATOM 0 HA ALA A 13 52.399 -7.662 -12.408 1.00 1.00 H new ATOM 0 HB1 ALA A 13 51.802 -8.964 -14.442 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.765 -7.525 -14.852 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.530 -9.131 -14.834 1.00 1.00 H new ATOM 181 N ASP A 14 54.242 -10.377 -12.257 1.00 1.00 N ATOM 182 CA ASP A 14 54.350 -11.687 -11.626 1.00 1.00 C ATOM 183 C ASP A 14 54.853 -11.549 -10.193 1.00 1.00 C ATOM 184 O ASP A 14 54.583 -12.398 -9.345 1.00 1.00 O ATOM 185 CB ASP A 14 55.307 -12.574 -12.423 1.00 1.00 C ATOM 186 CG ASP A 14 55.307 -12.155 -13.890 1.00 1.00 C ATOM 187 OD1 ASP A 14 54.436 -12.607 -14.615 1.00 1.00 O ATOM 188 OD2 ASP A 14 56.177 -11.388 -14.266 1.00 1.00 O ATOM 0 H ASP A 14 55.083 -10.070 -12.746 1.00 1.00 H new ATOM 0 HA ASP A 14 53.361 -12.145 -11.610 1.00 1.00 H new ATOM 0 HB2 ASP A 14 56.314 -12.496 -12.014 1.00 1.00 H new ATOM 0 HB3 ASP A 14 55.007 -13.618 -12.334 1.00 1.00 H new ATOM 193 N ASN A 15 55.587 -10.472 -9.932 1.00 1.00 N ATOM 194 CA ASN A 15 56.124 -10.230 -8.598 1.00 1.00 C ATOM 195 C ASN A 15 55.012 -10.290 -7.557 1.00 1.00 C ATOM 196 O ASN A 15 55.277 -10.401 -6.359 1.00 1.00 O ATOM 197 CB ASN A 15 56.800 -8.859 -8.549 1.00 1.00 C ATOM 198 CG ASN A 15 58.101 -8.948 -7.758 1.00 1.00 C ATOM 199 OD1 ASN A 15 58.160 -8.513 -6.608 1.00 1.00 O ATOM 200 ND2 ASN A 15 59.154 -9.487 -8.309 1.00 1.00 N ATOM 0 H ASN A 15 55.822 -9.758 -10.621 1.00 1.00 H new ATOM 0 HA ASN A 15 56.858 -11.004 -8.374 1.00 1.00 H new ATOM 0 HB2 ASN A 15 57.003 -8.508 -9.561 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.133 -8.131 -8.087 1.00 1.00 H new ATOM 0 HD21 ASN A 15 60.028 -9.548 -7.787 1.00 1.00 H new ATOM 0 HD22 ASN A 15 59.103 -9.847 -9.262 1.00 1.00 H new ATOM 207 N GLN A 16 53.770 -10.217 -8.020 1.00 1.00 N ATOM 208 CA GLN A 16 52.624 -10.263 -7.119 1.00 1.00 C ATOM 209 C GLN A 16 51.997 -11.654 -7.120 1.00 1.00 C ATOM 210 O GLN A 16 51.193 -11.983 -6.248 1.00 1.00 O ATOM 211 CB GLN A 16 51.580 -9.230 -7.546 1.00 1.00 C ATOM 212 CG GLN A 16 50.780 -9.772 -8.733 1.00 1.00 C ATOM 213 CD GLN A 16 50.226 -8.617 -9.560 1.00 1.00 C ATOM 214 OE1 GLN A 16 49.342 -7.815 -9.033 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 50.610 -8.441 -10.716 1.00 1.00 N flip ATOM 0 H GLN A 16 53.531 -10.126 -9.007 1.00 1.00 H new ATOM 0 HA GLN A 16 52.970 -10.033 -6.111 1.00 1.00 H new ATOM 0 HB2 GLN A 16 50.911 -9.008 -6.714 1.00 1.00 H new ATOM 0 HB3 GLN A 16 52.069 -8.295 -7.820 1.00 1.00 H new ATOM 0 HG2 GLN A 16 51.417 -10.402 -9.354 1.00 1.00 H new ATOM 0 HG3 GLN A 16 49.963 -10.399 -8.376 1.00 1.00 H new ATOM 0 HE21 GLN A 16 51.301 -9.070 -11.125 1.00 1.00 H new ATOM 0 HE22 GLN A 16 50.237 -7.666 -11.265 1.00 1.00 H new ATOM 224 N SER A 17 52.371 -12.464 -8.104 1.00 1.00 N ATOM 225 CA SER A 17 51.839 -13.819 -8.209 1.00 1.00 C ATOM 226 C SER A 17 52.819 -14.826 -7.619 1.00 1.00 C ATOM 227 O SER A 17 52.422 -15.895 -7.155 1.00 1.00 O ATOM 228 CB SER A 17 51.571 -14.162 -9.674 1.00 1.00 C ATOM 229 OG SER A 17 51.091 -15.497 -9.763 1.00 1.00 O ATOM 0 H SER A 17 53.035 -12.210 -8.835 1.00 1.00 H new ATOM 0 HA SER A 17 50.905 -13.867 -7.649 1.00 1.00 H new ATOM 0 HB2 SER A 17 50.839 -13.471 -10.093 1.00 1.00 H new ATOM 0 HB3 SER A 17 52.485 -14.052 -10.258 1.00 1.00 H new ATOM 0 HG SER A 17 50.917 -15.720 -10.701 1.00 1.00 H new ATOM 235 N GLU A 18 54.102 -14.480 -7.640 1.00 1.00 N ATOM 236 CA GLU A 18 55.131 -15.363 -7.104 1.00 1.00 C ATOM 237 C GLU A 18 54.838 -15.705 -5.648 1.00 1.00 C ATOM 238 O GLU A 18 55.530 -16.522 -5.040 1.00 1.00 O ATOM 239 CB GLU A 18 56.502 -14.691 -7.207 1.00 1.00 C ATOM 240 CG GLU A 18 56.713 -13.773 -6.003 1.00 1.00 C ATOM 241 CD GLU A 18 57.784 -12.735 -6.320 1.00 1.00 C ATOM 242 OE1 GLU A 18 58.848 -13.128 -6.767 1.00 1.00 O ATOM 243 OE2 GLU A 18 57.525 -11.561 -6.109 1.00 1.00 O ATOM 0 H GLU A 18 54.452 -13.600 -8.020 1.00 1.00 H new ATOM 0 HA GLU A 18 55.133 -16.283 -7.688 1.00 1.00 H new ATOM 0 HB2 GLU A 18 57.287 -15.446 -7.243 1.00 1.00 H new ATOM 0 HB3 GLU A 18 56.569 -14.117 -8.131 1.00 1.00 H new ATOM 0 HG2 GLU A 18 55.778 -13.276 -5.746 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.010 -14.361 -5.135 1.00 1.00 H new ATOM 250 N CYS A 19 53.809 -15.073 -5.092 1.00 1.00 N ATOM 251 CA CYS A 19 53.434 -15.318 -3.704 1.00 1.00 C ATOM 252 C CYS A 19 52.228 -16.250 -3.632 1.00 1.00 C ATOM 253 O CYS A 19 52.124 -17.078 -2.727 1.00 1.00 O ATOM 254 CB CYS A 19 53.100 -13.996 -3.012 1.00 1.00 C ATOM 255 SG CYS A 19 52.416 -14.330 -1.370 1.00 1.00 S ATOM 0 H CYS A 19 53.224 -14.393 -5.577 1.00 1.00 H new ATOM 0 HA CYS A 19 54.276 -15.790 -3.198 1.00 1.00 H new ATOM 0 HB2 CYS A 19 53.996 -13.382 -2.926 1.00 1.00 H new ATOM 0 HB3 CYS A 19 52.383 -13.432 -3.609 1.00 1.00 H new ATOM 0 HG CYS A 19 52.195 -15.605 -1.243 1.00 1.00 H new ATOM 261 N GLU A 20 51.320 -16.110 -4.592 1.00 1.00 N ATOM 262 CA GLU A 20 50.125 -16.946 -4.627 1.00 1.00 C ATOM 263 C GLU A 20 50.389 -18.225 -5.416 1.00 1.00 C ATOM 264 O GLU A 20 49.740 -19.247 -5.194 1.00 1.00 O ATOM 265 CB GLU A 20 48.968 -16.177 -5.269 1.00 1.00 C ATOM 266 CG GLU A 20 49.054 -16.301 -6.791 1.00 1.00 C ATOM 267 CD GLU A 20 48.268 -15.174 -7.451 1.00 1.00 C ATOM 268 OE1 GLU A 20 48.380 -14.050 -6.989 1.00 1.00 O ATOM 269 OE2 GLU A 20 47.564 -15.449 -8.409 1.00 1.00 O ATOM 0 H GLU A 20 51.387 -15.431 -5.351 1.00 1.00 H new ATOM 0 HA GLU A 20 49.860 -17.212 -3.604 1.00 1.00 H new ATOM 0 HB2 GLU A 20 48.015 -16.571 -4.915 1.00 1.00 H new ATOM 0 HB3 GLU A 20 49.008 -15.128 -4.976 1.00 1.00 H new ATOM 0 HG2 GLU A 20 50.096 -16.263 -7.109 1.00 1.00 H new ATOM 0 HG3 GLU A 20 48.658 -17.266 -7.108 1.00 1.00 H new ATOM 276 N TYR A 21 51.345 -18.160 -6.337 1.00 1.00 N ATOM 277 CA TYR A 21 51.686 -19.319 -7.153 1.00 1.00 C ATOM 278 C TYR A 21 51.908 -20.546 -6.273 1.00 1.00 C ATOM 279 O TYR A 21 51.568 -21.665 -6.656 1.00 1.00 O ATOM 280 CB TYR A 21 52.953 -19.033 -7.962 1.00 1.00 C ATOM 281 CG TYR A 21 53.613 -20.337 -8.339 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.518 -20.945 -7.460 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.324 -20.938 -9.570 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.131 -22.153 -7.810 1.00 1.00 C ATOM 285 CE2 TYR A 21 53.936 -22.147 -9.920 1.00 1.00 C ATOM 286 CZ TYR A 21 54.840 -22.755 -9.041 1.00 1.00 C ATOM 287 OH TYR A 21 55.444 -23.946 -9.386 1.00 1.00 O ATOM 0 H TYR A 21 51.894 -17.323 -6.536 1.00 1.00 H new ATOM 0 HA TYR A 21 50.858 -19.518 -7.833 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.704 -18.466 -8.859 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.640 -18.421 -7.378 1.00 1.00 H new ATOM 0 HD1 TYR A 21 54.743 -20.481 -6.511 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.628 -20.468 -10.250 1.00 1.00 H new ATOM 0 HE1 TYR A 21 55.828 -22.621 -7.131 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.711 -22.611 -10.869 1.00 1.00 H new ATOM 0 HH TYR A 21 55.131 -24.227 -10.271 1.00 1.00 H new ATOM 297 N THR A 22 52.480 -20.326 -5.095 1.00 1.00 N ATOM 298 CA THR A 22 52.742 -21.422 -4.168 1.00 1.00 C ATOM 299 C THR A 22 51.451 -21.877 -3.497 1.00 1.00 C ATOM 300 O THR A 22 51.379 -22.978 -2.950 1.00 1.00 O ATOM 301 CB THR A 22 53.744 -20.974 -3.100 1.00 1.00 C ATOM 302 OG1 THR A 22 54.416 -22.112 -2.579 1.00 1.00 O ATOM 303 CG2 THR A 22 53.003 -20.255 -1.972 1.00 1.00 C ATOM 0 H THR A 22 52.769 -19.407 -4.760 1.00 1.00 H new ATOM 0 HA THR A 22 53.159 -22.257 -4.731 1.00 1.00 H new ATOM 0 HB THR A 22 54.471 -20.294 -3.544 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.059 -21.828 -1.896 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.717 -19.937 -1.213 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.487 -19.383 -2.374 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.276 -20.932 -1.525 1.00 1.00 H new ATOM 311 N ASP A 23 50.433 -21.024 -3.544 1.00 1.00 N ATOM 312 CA ASP A 23 49.147 -21.350 -2.937 1.00 1.00 C ATOM 313 C ASP A 23 48.200 -21.943 -3.974 1.00 1.00 C ATOM 314 O ASP A 23 47.646 -23.025 -3.777 1.00 1.00 O ATOM 315 CB ASP A 23 48.521 -20.092 -2.332 1.00 1.00 C ATOM 316 CG ASP A 23 48.015 -20.386 -0.924 1.00 1.00 C ATOM 317 OD1 ASP A 23 47.128 -21.214 -0.796 1.00 1.00 O ATOM 318 OD2 ASP A 23 48.521 -19.780 0.005 1.00 1.00 O ATOM 0 H ASP A 23 50.472 -20.109 -3.992 1.00 1.00 H new ATOM 0 HA ASP A 23 49.314 -22.087 -2.151 1.00 1.00 H new ATOM 0 HB2 ASP A 23 49.257 -19.288 -2.302 1.00 1.00 H new ATOM 0 HB3 ASP A 23 47.698 -19.748 -2.959 1.00 1.00 H new ATOM 323 N TRP A 24 48.016 -21.228 -5.079 1.00 1.00 N ATOM 324 CA TRP A 24 47.133 -21.693 -6.143 1.00 1.00 C ATOM 325 C TRP A 24 47.385 -23.168 -6.443 1.00 1.00 C ATOM 326 O TRP A 24 46.457 -23.975 -6.467 1.00 1.00 O ATOM 327 CB TRP A 24 47.358 -20.867 -7.410 1.00 1.00 C ATOM 328 CG TRP A 24 47.214 -21.746 -8.610 1.00 1.00 C ATOM 329 CD1 TRP A 24 46.038 -22.107 -9.172 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.259 -22.382 -9.403 1.00 1.00 C ATOM 331 NE1 TRP A 24 46.294 -22.923 -10.260 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.648 -23.122 -10.443 1.00 1.00 C ATOM 333 CE3 TRP A 24 49.663 -22.388 -9.321 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.403 -23.842 -11.369 1.00 1.00 C ATOM 335 CZ3 TRP A 24 50.426 -23.112 -10.252 1.00 1.00 C ATOM 336 CH2 TRP A 24 49.797 -23.837 -11.273 1.00 1.00 C ATOM 0 H TRP A 24 48.463 -20.330 -5.261 1.00 1.00 H new ATOM 0 HA TRP A 24 46.102 -21.572 -5.811 1.00 1.00 H new ATOM 0 HB2 TRP A 24 46.639 -20.049 -7.456 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.351 -20.417 -7.392 1.00 1.00 H new ATOM 0 HD1 TRP A 24 45.059 -21.807 -8.828 1.00 1.00 H new ATOM 0 HE1 TRP A 24 45.571 -23.328 -10.854 1.00 1.00 H new ATOM 0 HE3 TRP A 24 50.157 -21.833 -8.538 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 47.914 -24.399 -12.154 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 51.504 -23.110 -10.181 1.00 1.00 H new ATOM 0 HH2 TRP A 24 50.389 -24.392 -11.985 1.00 1.00 H new ATOM 347 N LYS A 25 48.649 -23.511 -6.674 1.00 1.00 N ATOM 348 CA LYS A 25 49.012 -24.891 -6.974 1.00 1.00 C ATOM 349 C LYS A 25 48.403 -25.841 -5.948 1.00 1.00 C ATOM 350 O LYS A 25 48.222 -27.028 -6.219 1.00 1.00 O ATOM 351 CB LYS A 25 50.535 -25.041 -6.971 1.00 1.00 C ATOM 352 CG LYS A 25 50.910 -26.453 -7.426 1.00 1.00 C ATOM 353 CD LYS A 25 52.433 -26.575 -7.509 1.00 1.00 C ATOM 354 CE LYS A 25 52.808 -27.973 -8.004 1.00 1.00 C ATOM 355 NZ LYS A 25 54.244 -28.236 -7.708 1.00 1.00 N ATOM 0 H LYS A 25 49.433 -22.858 -6.659 1.00 1.00 H new ATOM 0 HA LYS A 25 48.623 -25.144 -7.960 1.00 1.00 H new ATOM 0 HB2 LYS A 25 50.985 -24.302 -7.634 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.928 -24.853 -5.972 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.513 -27.189 -6.727 1.00 1.00 H new ATOM 0 HG3 LYS A 25 50.464 -26.664 -8.398 1.00 1.00 H new ATOM 0 HD2 LYS A 25 52.832 -25.819 -8.185 1.00 1.00 H new ATOM 0 HD3 LYS A 25 52.877 -26.393 -6.530 1.00 1.00 H new ATOM 0 HE2 LYS A 25 52.182 -28.722 -7.519 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.626 -28.052 -9.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.499 -29.186 -8.044 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 54.833 -27.528 -8.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 54.403 -28.178 -6.682 1.00 1.00 H new ATOM 369 N SER A 26 48.089 -25.311 -4.771 1.00 1.00 N ATOM 370 CA SER A 26 47.501 -26.123 -3.712 1.00 1.00 C ATOM 371 C SER A 26 45.991 -25.915 -3.653 1.00 1.00 C ATOM 372 O SER A 26 45.226 -26.877 -3.583 1.00 1.00 O ATOM 373 CB SER A 26 48.121 -25.751 -2.365 1.00 1.00 C ATOM 374 OG SER A 26 49.187 -26.646 -2.075 1.00 1.00 O ATOM 0 H SER A 26 48.230 -24.331 -4.527 1.00 1.00 H new ATOM 0 HA SER A 26 47.704 -27.172 -3.929 1.00 1.00 H new ATOM 0 HB2 SER A 26 48.489 -24.725 -2.392 1.00 1.00 H new ATOM 0 HB3 SER A 26 47.367 -25.798 -1.579 1.00 1.00 H new ATOM 0 HG SER A 26 49.588 -26.409 -1.213 1.00 1.00 H new ATOM 380 N SER A 27 45.570 -24.656 -3.682 1.00 1.00 N ATOM 381 CA SER A 27 44.148 -24.334 -3.630 1.00 1.00 C ATOM 382 C SER A 27 43.541 -24.367 -5.029 1.00 1.00 C ATOM 383 O SER A 27 42.428 -23.888 -5.243 1.00 1.00 O ATOM 384 CB SER A 27 43.948 -22.948 -3.018 1.00 1.00 C ATOM 385 OG SER A 27 43.805 -23.072 -1.610 1.00 1.00 O ATOM 0 H SER A 27 46.187 -23.846 -3.741 1.00 1.00 H new ATOM 0 HA SER A 27 43.648 -25.079 -3.011 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.798 -22.308 -3.254 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.064 -22.474 -3.444 1.00 1.00 H new ATOM 0 HG SER A 27 43.678 -22.184 -1.215 1.00 1.00 H new ATOM 391 N GLY A 28 44.284 -24.936 -5.976 1.00 1.00 N ATOM 392 CA GLY A 28 43.816 -25.031 -7.356 1.00 1.00 C ATOM 393 C GLY A 28 43.819 -26.479 -7.829 1.00 1.00 C ATOM 394 O GLY A 28 44.114 -26.763 -8.990 1.00 1.00 O ATOM 0 H GLY A 28 45.208 -25.336 -5.814 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.809 -24.621 -7.432 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.455 -24.431 -8.004 1.00 1.00 H new ATOM 398 N ALA A 29 43.490 -27.394 -6.923 1.00 1.00 N ATOM 399 CA ALA A 29 43.459 -28.812 -7.259 1.00 1.00 C ATOM 400 C ALA A 29 42.334 -29.518 -6.511 1.00 1.00 C ATOM 401 O ALA A 29 42.112 -30.715 -6.694 1.00 1.00 O ATOM 402 CB ALA A 29 44.798 -29.461 -6.904 1.00 1.00 C ATOM 0 H ALA A 29 43.243 -27.181 -5.957 1.00 1.00 H new ATOM 0 HA ALA A 29 43.281 -28.908 -8.330 1.00 1.00 H new ATOM 0 HB1 ALA A 29 44.767 -30.521 -7.158 1.00 1.00 H new ATOM 0 HB2 ALA A 29 45.597 -28.976 -7.465 1.00 1.00 H new ATOM 0 HB3 ALA A 29 44.985 -29.349 -5.836 1.00 1.00 H new ATOM 408 N LEU A 30 41.625 -28.772 -5.670 1.00 1.00 N ATOM 409 CA LEU A 30 40.526 -29.345 -4.901 1.00 1.00 C ATOM 410 C LEU A 30 39.342 -28.384 -4.849 1.00 1.00 C ATOM 411 O LEU A 30 38.186 -28.808 -4.855 1.00 1.00 O ATOM 412 CB LEU A 30 40.993 -29.670 -3.480 1.00 1.00 C ATOM 413 CG LEU A 30 41.697 -28.453 -2.875 1.00 1.00 C ATOM 414 CD1 LEU A 30 41.038 -28.090 -1.542 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.171 -28.787 -2.637 1.00 1.00 C ATOM 0 H LEU A 30 41.789 -27.779 -5.504 1.00 1.00 H new ATOM 0 HA LEU A 30 40.206 -30.263 -5.394 1.00 1.00 H new ATOM 0 HB2 LEU A 30 40.140 -29.952 -2.863 1.00 1.00 H new ATOM 0 HB3 LEU A 30 41.671 -30.523 -3.496 1.00 1.00 H new ATOM 0 HG LEU A 30 41.618 -27.610 -3.561 1.00 1.00 H new ATOM 0 HD11 LEU A 30 41.540 -27.223 -1.112 1.00 1.00 H new ATOM 0 HD12 LEU A 30 39.987 -27.855 -1.708 1.00 1.00 H new ATOM 0 HD13 LEU A 30 41.117 -28.933 -0.855 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.675 -27.922 -2.206 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.247 -29.630 -1.951 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.643 -29.047 -3.585 1.00 1.00 H new ATOM 446 N PRO A 32 38.636 -26.035 -7.205 1.00 1.00 N ATOM 447 CA PRO A 32 38.056 -25.887 -8.573 1.00 1.00 C ATOM 448 C PRO A 32 36.959 -26.914 -8.844 1.00 1.00 C ATOM 449 O PRO A 32 36.096 -26.705 -9.696 1.00 1.00 O ATOM 450 CB PRO A 32 39.246 -26.101 -9.519 1.00 1.00 C ATOM 451 CG PRO A 32 40.470 -25.937 -8.680 1.00 1.00 C ATOM 452 CD PRO A 32 40.078 -26.327 -7.260 1.00 1.00 C ATOM 0 HA PRO A 32 37.581 -24.915 -8.704 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.212 -27.092 -9.971 1.00 1.00 H new ATOM 0 HB3 PRO A 32 39.232 -25.378 -10.335 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.279 -26.569 -9.046 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.829 -24.908 -8.715 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.281 -27.380 -7.063 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.632 -25.751 -6.519 1.00 1.00 H new ATOM 460 N ALA A 33 37.006 -28.024 -8.116 1.00 1.00 N ATOM 461 CA ALA A 33 36.015 -29.080 -8.285 1.00 1.00 C ATOM 462 C ALA A 33 34.612 -28.553 -8.007 1.00 1.00 C ATOM 463 O ALA A 33 33.795 -28.426 -8.919 1.00 1.00 O ATOM 464 CB ALA A 33 36.323 -30.243 -7.341 1.00 1.00 C ATOM 0 H ALA A 33 37.715 -28.215 -7.408 1.00 1.00 H new ATOM 0 HA ALA A 33 36.059 -29.429 -9.317 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.578 -31.027 -7.474 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.313 -30.641 -7.565 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.299 -29.891 -6.310 1.00 1.00 H new ATOM 470 N ILE A 34 34.335 -28.247 -6.744 1.00 1.00 N ATOM 471 CA ILE A 34 33.023 -27.734 -6.370 1.00 1.00 C ATOM 472 C ILE A 34 32.710 -26.462 -7.148 1.00 1.00 C ATOM 473 O ILE A 34 31.626 -26.318 -7.712 1.00 1.00 O ATOM 474 CB ILE A 34 32.981 -27.439 -4.871 1.00 1.00 C ATOM 475 CG1 ILE A 34 32.725 -28.739 -4.104 1.00 1.00 C ATOM 476 CG2 ILE A 34 31.855 -26.446 -4.578 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.970 -28.510 -2.612 1.00 1.00 C ATOM 0 H ILE A 34 34.993 -28.344 -5.971 1.00 1.00 H new ATOM 0 HA ILE A 34 32.276 -28.491 -6.609 1.00 1.00 H new ATOM 0 HB ILE A 34 33.933 -27.012 -4.558 1.00 1.00 H new ATOM 0 HG12 ILE A 34 31.701 -29.074 -4.268 1.00 1.00 H new ATOM 0 HG13 ILE A 34 33.381 -29.527 -4.474 1.00 1.00 H new ATOM 0 HG21 ILE A 34 31.825 -26.235 -3.509 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.034 -25.521 -5.125 1.00 1.00 H new ATOM 0 HG23 ILE A 34 30.902 -26.874 -4.891 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.787 -29.436 -2.067 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.002 -28.195 -2.457 1.00 1.00 H new ATOM 0 HD13 ILE A 34 32.295 -27.735 -2.247 1.00 1.00 H new ATOM 489 N TYR A 35 33.669 -25.543 -7.174 1.00 1.00 N ATOM 490 CA TYR A 35 33.490 -24.283 -7.886 1.00 1.00 C ATOM 491 C TYR A 35 32.785 -24.515 -9.218 1.00 1.00 C ATOM 492 O TYR A 35 31.839 -23.808 -9.563 1.00 1.00 O ATOM 493 CB TYR A 35 34.849 -23.631 -8.139 1.00 1.00 C ATOM 494 CG TYR A 35 34.891 -22.278 -7.472 1.00 1.00 C ATOM 495 CD1 TYR A 35 34.290 -21.174 -8.090 1.00 1.00 C ATOM 496 CD2 TYR A 35 35.529 -22.125 -6.235 1.00 1.00 C ATOM 497 CE1 TYR A 35 34.327 -19.919 -7.472 1.00 1.00 C ATOM 498 CE2 TYR A 35 35.567 -20.869 -5.617 1.00 1.00 C ATOM 499 CZ TYR A 35 34.966 -19.767 -6.235 1.00 1.00 C ATOM 500 OH TYR A 35 35.003 -18.529 -5.626 1.00 1.00 O ATOM 0 H TYR A 35 34.573 -25.646 -6.713 1.00 1.00 H new ATOM 0 HA TYR A 35 32.876 -23.625 -7.271 1.00 1.00 H new ATOM 0 HB2 TYR A 35 35.646 -24.265 -7.750 1.00 1.00 H new ATOM 0 HB3 TYR A 35 35.020 -23.525 -9.210 1.00 1.00 H new ATOM 0 HD1 TYR A 35 33.798 -21.291 -9.044 1.00 1.00 H new ATOM 0 HD2 TYR A 35 35.992 -22.976 -5.757 1.00 1.00 H new ATOM 0 HE1 TYR A 35 33.863 -19.068 -7.949 1.00 1.00 H new ATOM 0 HE2 TYR A 35 36.060 -20.751 -4.663 1.00 1.00 H new ATOM 0 HH TYR A 35 35.483 -18.598 -4.774 1.00 1.00 H new ATOM 510 N MET A 36 33.258 -25.509 -9.962 1.00 1.00 N ATOM 511 CA MET A 36 32.669 -25.824 -11.256 1.00 1.00 C ATOM 512 C MET A 36 31.186 -26.144 -11.110 1.00 1.00 C ATOM 513 O MET A 36 30.347 -25.525 -11.759 1.00 1.00 O ATOM 514 CB MET A 36 33.397 -27.014 -11.887 1.00 1.00 C ATOM 515 CG MET A 36 34.457 -26.509 -12.869 1.00 1.00 C ATOM 516 SD MET A 36 35.431 -25.193 -12.095 1.00 1.00 S ATOM 517 CE MET A 36 35.110 -23.912 -13.335 1.00 1.00 C ATOM 0 H MET A 36 34.041 -26.105 -9.693 1.00 1.00 H new ATOM 0 HA MET A 36 32.774 -24.953 -11.903 1.00 1.00 H new ATOM 0 HB2 MET A 36 33.865 -27.619 -11.111 1.00 1.00 H new ATOM 0 HB3 MET A 36 32.684 -27.656 -12.405 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.109 -27.329 -13.168 1.00 1.00 H new ATOM 0 HG3 MET A 36 33.979 -26.136 -13.775 1.00 1.00 H new ATOM 0 HE1 MET A 36 35.505 -22.959 -12.984 1.00 1.00 H new ATOM 0 HE2 MET A 36 35.596 -24.183 -14.272 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.036 -23.823 -13.496 1.00 1.00 H new ATOM 527 N LEU A 37 30.865 -27.112 -10.259 1.00 1.00 N ATOM 528 CA LEU A 37 29.472 -27.490 -10.054 1.00 1.00 C ATOM 529 C LEU A 37 28.672 -26.309 -9.510 1.00 1.00 C ATOM 530 O LEU A 37 27.512 -26.117 -9.867 1.00 1.00 O ATOM 531 CB LEU A 37 29.377 -28.669 -9.082 1.00 1.00 C ATOM 532 CG LEU A 37 28.474 -29.753 -9.677 1.00 1.00 C ATOM 533 CD1 LEU A 37 29.200 -30.452 -10.829 1.00 1.00 C ATOM 534 CD2 LEU A 37 28.135 -30.781 -8.594 1.00 1.00 C ATOM 0 H LEU A 37 31.539 -27.642 -9.707 1.00 1.00 H new ATOM 0 HA LEU A 37 29.054 -27.787 -11.016 1.00 1.00 H new ATOM 0 HB2 LEU A 37 30.370 -29.075 -8.888 1.00 1.00 H new ATOM 0 HB3 LEU A 37 28.977 -28.333 -8.125 1.00 1.00 H new ATOM 0 HG LEU A 37 27.557 -29.296 -10.050 1.00 1.00 H new ATOM 0 HD11 LEU A 37 28.555 -31.223 -11.251 1.00 1.00 H new ATOM 0 HD12 LEU A 37 29.446 -29.722 -11.601 1.00 1.00 H new ATOM 0 HD13 LEU A 37 30.117 -30.909 -10.457 1.00 1.00 H new ATOM 0 HD21 LEU A 37 27.492 -31.554 -9.015 1.00 1.00 H new ATOM 0 HD22 LEU A 37 29.054 -31.235 -8.223 1.00 1.00 H new ATOM 0 HD23 LEU A 37 27.617 -30.286 -7.772 1.00 1.00 H new ATOM 546 N VAL A 38 29.297 -25.516 -8.648 1.00 1.00 N ATOM 547 CA VAL A 38 28.621 -24.359 -8.076 1.00 1.00 C ATOM 548 C VAL A 38 28.622 -23.203 -9.070 1.00 1.00 C ATOM 549 O VAL A 38 27.961 -22.187 -8.859 1.00 1.00 O ATOM 550 CB VAL A 38 29.312 -23.933 -6.778 1.00 1.00 C ATOM 551 CG1 VAL A 38 28.865 -22.522 -6.390 1.00 1.00 C ATOM 552 CG2 VAL A 38 28.932 -24.906 -5.660 1.00 1.00 C ATOM 0 H VAL A 38 30.258 -25.650 -8.333 1.00 1.00 H new ATOM 0 HA VAL A 38 27.589 -24.632 -7.854 1.00 1.00 H new ATOM 0 HB VAL A 38 30.392 -23.942 -6.927 1.00 1.00 H new ATOM 0 HG11 VAL A 38 29.360 -22.225 -5.466 1.00 1.00 H new ATOM 0 HG12 VAL A 38 29.131 -21.825 -7.185 1.00 1.00 H new ATOM 0 HG13 VAL A 38 27.785 -22.510 -6.243 1.00 1.00 H new ATOM 0 HG21 VAL A 38 29.422 -24.606 -4.734 1.00 1.00 H new ATOM 0 HG22 VAL A 38 27.851 -24.894 -5.519 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.251 -25.913 -5.930 1.00 1.00 H new ATOM 562 N PHE A 39 29.370 -23.366 -10.156 1.00 1.00 N ATOM 563 CA PHE A 39 29.449 -22.329 -11.177 1.00 1.00 C ATOM 564 C PHE A 39 28.531 -22.655 -12.351 1.00 1.00 C ATOM 565 O PHE A 39 27.702 -21.837 -12.748 1.00 1.00 O ATOM 566 CB PHE A 39 30.890 -22.194 -11.676 1.00 1.00 C ATOM 567 CG PHE A 39 30.922 -21.285 -12.881 1.00 1.00 C ATOM 568 CD1 PHE A 39 30.818 -19.899 -12.715 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.057 -21.829 -14.164 1.00 1.00 C ATOM 570 CE1 PHE A 39 30.847 -19.056 -13.833 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.086 -20.986 -15.282 1.00 1.00 C ATOM 572 CZ PHE A 39 30.982 -19.600 -15.116 1.00 1.00 C ATOM 0 H PHE A 39 29.926 -24.199 -10.351 1.00 1.00 H new ATOM 0 HA PHE A 39 29.128 -21.387 -10.733 1.00 1.00 H new ATOM 0 HB2 PHE A 39 31.523 -21.791 -10.886 1.00 1.00 H new ATOM 0 HB3 PHE A 39 31.290 -23.174 -11.936 1.00 1.00 H new ATOM 0 HD1 PHE A 39 30.715 -19.480 -11.725 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.139 -22.898 -14.291 1.00 1.00 H new ATOM 0 HE1 PHE A 39 30.765 -17.987 -13.706 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.189 -21.405 -16.272 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.006 -18.950 -15.978 1.00 1.00 H new ATOM 582 N LEU A 40 28.687 -23.854 -12.906 1.00 1.00 N ATOM 583 CA LEU A 40 27.867 -24.275 -14.036 1.00 1.00 C ATOM 584 C LEU A 40 26.563 -24.901 -13.551 1.00 1.00 C ATOM 585 O LEU A 40 25.574 -24.946 -14.283 1.00 1.00 O ATOM 586 CB LEU A 40 28.634 -25.284 -14.894 1.00 1.00 C ATOM 587 CG LEU A 40 28.812 -26.592 -14.121 1.00 1.00 C ATOM 588 CD1 LEU A 40 27.837 -27.640 -14.658 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.247 -27.096 -14.299 1.00 1.00 C ATOM 0 H LEU A 40 29.368 -24.546 -12.594 1.00 1.00 H new ATOM 0 HA LEU A 40 27.632 -23.395 -14.635 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.094 -25.470 -15.823 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.608 -24.877 -15.167 1.00 1.00 H new ATOM 0 HG LEU A 40 28.613 -26.419 -13.063 1.00 1.00 H new ATOM 0 HD11 LEU A 40 27.964 -28.572 -14.107 1.00 1.00 H new ATOM 0 HD12 LEU A 40 26.815 -27.283 -14.535 1.00 1.00 H new ATOM 0 HD13 LEU A 40 28.036 -27.814 -15.715 1.00 1.00 H new ATOM 0 HD21 LEU A 40 30.376 -28.028 -13.749 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.443 -27.269 -15.357 1.00 1.00 H new ATOM 0 HD23 LEU A 40 30.945 -26.350 -13.918 1.00 1.00 H new ATOM 601 N LEU A 41 26.574 -25.385 -12.311 1.00 1.00 N ATOM 602 CA LEU A 41 25.393 -26.010 -11.724 1.00 1.00 C ATOM 603 C LEU A 41 24.899 -25.191 -10.536 1.00 1.00 C ATOM 604 O LEU A 41 24.217 -25.703 -9.649 1.00 1.00 O ATOM 605 CB LEU A 41 25.735 -27.432 -11.273 1.00 1.00 C ATOM 606 CG LEU A 41 24.877 -28.431 -12.040 1.00 1.00 C ATOM 607 CD1 LEU A 41 25.298 -29.854 -11.671 1.00 1.00 C ATOM 608 CD2 LEU A 41 23.403 -28.227 -11.681 1.00 1.00 C ATOM 0 H LEU A 41 27.386 -25.356 -11.695 1.00 1.00 H new ATOM 0 HA LEU A 41 24.602 -26.050 -12.473 1.00 1.00 H new ATOM 0 HB2 LEU A 41 26.792 -27.635 -11.447 1.00 1.00 H new ATOM 0 HB3 LEU A 41 25.563 -27.536 -10.202 1.00 1.00 H new ATOM 0 HG LEU A 41 25.013 -28.276 -13.110 1.00 1.00 H new ATOM 0 HD11 LEU A 41 24.684 -30.569 -12.219 1.00 1.00 H new ATOM 0 HD12 LEU A 41 26.346 -30.002 -11.930 1.00 1.00 H new ATOM 0 HD13 LEU A 41 25.164 -30.007 -10.600 1.00 1.00 H new ATOM 0 HD21 LEU A 41 22.792 -28.943 -12.231 1.00 1.00 H new ATOM 0 HD22 LEU A 41 23.265 -28.379 -10.611 1.00 1.00 H new ATOM 0 HD23 LEU A 41 23.101 -27.214 -11.945 1.00 1.00 H new ATOM 620 N GLY A 42 25.255 -23.914 -10.529 1.00 1.00 N ATOM 621 CA GLY A 42 24.848 -23.026 -9.444 1.00 1.00 C ATOM 622 C GLY A 42 24.741 -21.579 -9.917 1.00 1.00 C ATOM 623 O GLY A 42 23.911 -20.819 -9.418 1.00 1.00 O ATOM 0 H GLY A 42 25.819 -23.471 -11.254 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.887 -23.352 -9.046 1.00 1.00 H new ATOM 0 HA3 GLY A 42 25.569 -23.091 -8.629 1.00 1.00 H new ATOM 627 N THR A 43 25.587 -21.200 -10.875 1.00 1.00 N ATOM 628 CA THR A 43 25.580 -19.838 -11.402 1.00 1.00 C ATOM 629 C THR A 43 25.271 -19.835 -12.896 1.00 1.00 C ATOM 630 O THR A 43 25.797 -19.011 -13.645 1.00 1.00 O ATOM 631 CB THR A 43 26.939 -19.179 -11.159 1.00 1.00 C ATOM 632 OG1 THR A 43 27.394 -19.504 -9.852 1.00 1.00 O ATOM 633 CG2 THR A 43 26.805 -17.662 -11.292 1.00 1.00 C ATOM 0 H THR A 43 26.282 -21.814 -11.299 1.00 1.00 H new ATOM 0 HA THR A 43 24.803 -19.275 -10.885 1.00 1.00 H new ATOM 0 HB THR A 43 27.656 -19.543 -11.895 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.520 -20.473 -9.781 1.00 1.00 H new ATOM 0 HG21 THR A 43 27.774 -17.195 -11.118 1.00 1.00 H new ATOM 0 HG22 THR A 43 26.457 -17.414 -12.295 1.00 1.00 H new ATOM 0 HG23 THR A 43 26.088 -17.294 -10.558 1.00 1.00 H new ATOM 641 N THR A 44 24.415 -20.756 -13.323 1.00 1.00 N ATOM 642 CA THR A 44 24.043 -20.844 -14.730 1.00 1.00 C ATOM 643 C THR A 44 22.557 -21.151 -14.869 1.00 1.00 C ATOM 644 O THR A 44 21.804 -20.374 -15.456 1.00 1.00 O ATOM 645 CB THR A 44 24.857 -21.941 -15.419 1.00 1.00 C ATOM 646 OG1 THR A 44 26.241 -21.636 -15.315 1.00 1.00 O ATOM 647 CG2 THR A 44 24.460 -22.024 -16.894 1.00 1.00 C ATOM 0 H THR A 44 23.968 -21.447 -12.721 1.00 1.00 H new ATOM 0 HA THR A 44 24.253 -19.885 -15.203 1.00 1.00 H new ATOM 0 HB THR A 44 24.658 -22.899 -14.938 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.517 -21.684 -14.376 1.00 1.00 H new ATOM 0 HG21 THR A 44 25.041 -22.806 -17.384 1.00 1.00 H new ATOM 0 HG22 THR A 44 23.398 -22.258 -16.972 1.00 1.00 H new ATOM 0 HG23 THR A 44 24.658 -21.068 -17.378 1.00 1.00 H new ATOM 655 N GLY A 45 22.140 -22.286 -14.320 1.00 1.00 N ATOM 656 CA GLY A 45 20.741 -22.687 -14.384 1.00 1.00 C ATOM 657 C GLY A 45 19.951 -22.073 -13.234 1.00 1.00 C ATOM 658 O GLY A 45 18.720 -22.050 -13.255 1.00 1.00 O ATOM 0 H GLY A 45 22.747 -22.941 -13.828 1.00 1.00 H new ATOM 0 HA2 GLY A 45 20.311 -22.374 -15.335 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.667 -23.774 -14.343 1.00 1.00 H new ATOM 662 N ASN A 46 20.668 -21.574 -12.233 1.00 1.00 N ATOM 663 CA ASN A 46 20.026 -20.959 -11.077 1.00 1.00 C ATOM 664 C ASN A 46 19.339 -19.658 -11.476 1.00 1.00 C ATOM 665 O ASN A 46 18.139 -19.488 -11.261 1.00 1.00 O ATOM 666 CB ASN A 46 21.064 -20.676 -9.992 1.00 1.00 C ATOM 667 CG ASN A 46 21.562 -21.988 -9.394 1.00 1.00 C ATOM 668 OD1 ASN A 46 21.592 -23.063 -10.134 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 21.934 -22.036 -8.221 1.00 1.00 N flip ATOM 0 H ASN A 46 21.687 -21.583 -12.198 1.00 1.00 H new ATOM 0 HA ASN A 46 19.277 -21.650 -10.691 1.00 1.00 H new ATOM 0 HB2 ASN A 46 21.900 -20.118 -10.413 1.00 1.00 H new ATOM 0 HB3 ASN A 46 20.626 -20.054 -9.211 1.00 1.00 H new ATOM 0 HD21 ASN A 46 21.910 -21.195 -7.644 1.00 1.00 H new ATOM 0 HD22 ASN A 46 22.266 -22.916 -7.827 1.00 1.00 H new ATOM 676 N GLY A 47 20.106 -18.745 -12.061 1.00 1.00 N ATOM 677 CA GLY A 47 19.559 -17.463 -12.487 1.00 1.00 C ATOM 678 C GLY A 47 18.425 -17.663 -13.484 1.00 1.00 C ATOM 679 O GLY A 47 17.332 -17.122 -13.310 1.00 1.00 O ATOM 0 H GLY A 47 21.101 -18.867 -12.250 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.194 -16.912 -11.620 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.345 -16.860 -12.940 1.00 1.00 H new ATOM 683 N LEU A 48 18.689 -18.442 -14.526 1.00 1.00 N ATOM 684 CA LEU A 48 17.675 -18.704 -15.540 1.00 1.00 C ATOM 685 C LEU A 48 16.372 -19.144 -14.881 1.00 1.00 C ATOM 686 O LEU A 48 15.297 -18.656 -15.226 1.00 1.00 O ATOM 687 CB LEU A 48 18.157 -19.789 -16.504 1.00 1.00 C ATOM 688 CG LEU A 48 17.254 -19.811 -17.741 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.752 -18.791 -18.770 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.277 -21.209 -18.361 1.00 1.00 C ATOM 0 H LEU A 48 19.586 -18.899 -14.690 1.00 1.00 H new ATOM 0 HA LEU A 48 17.499 -17.785 -16.099 1.00 1.00 H new ATOM 0 HB2 LEU A 48 19.189 -19.597 -16.797 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.141 -20.761 -16.012 1.00 1.00 H new ATOM 0 HG LEU A 48 16.236 -19.555 -17.446 1.00 1.00 H new ATOM 0 HD11 LEU A 48 17.105 -18.813 -19.647 1.00 1.00 H new ATOM 0 HD12 LEU A 48 17.735 -17.793 -18.331 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.771 -19.040 -19.065 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.635 -21.227 -19.242 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.297 -21.462 -18.650 1.00 1.00 H new ATOM 0 HD23 LEU A 48 16.915 -21.936 -17.633 1.00 1.00 H new ATOM 702 N VAL A 49 16.479 -20.066 -13.932 1.00 1.00 N ATOM 703 CA VAL A 49 15.305 -20.562 -13.226 1.00 1.00 C ATOM 704 C VAL A 49 14.628 -19.429 -12.465 1.00 1.00 C ATOM 705 O VAL A 49 13.458 -19.127 -12.695 1.00 1.00 O ATOM 706 CB VAL A 49 15.714 -21.668 -12.250 1.00 1.00 C ATOM 707 CG1 VAL A 49 14.661 -21.798 -11.148 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.825 -22.996 -13.005 1.00 1.00 C ATOM 0 H VAL A 49 17.361 -20.483 -13.635 1.00 1.00 H new ATOM 0 HA VAL A 49 14.603 -20.966 -13.955 1.00 1.00 H new ATOM 0 HB VAL A 49 16.676 -21.418 -11.803 1.00 1.00 H new ATOM 0 HG11 VAL A 49 14.955 -22.586 -10.455 1.00 1.00 H new ATOM 0 HG12 VAL A 49 14.579 -20.854 -10.610 1.00 1.00 H new ATOM 0 HG13 VAL A 49 13.698 -22.047 -11.593 1.00 1.00 H new ATOM 0 HG21 VAL A 49 16.116 -23.785 -12.312 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.862 -23.242 -13.451 1.00 1.00 H new ATOM 0 HG23 VAL A 49 16.576 -22.907 -13.790 1.00 1.00 H new ATOM 718 N LEU A 50 15.370 -18.800 -11.559 1.00 1.00 N ATOM 719 CA LEU A 50 14.827 -17.697 -10.774 1.00 1.00 C ATOM 720 C LEU A 50 14.383 -16.564 -11.684 1.00 1.00 C ATOM 721 O LEU A 50 13.727 -15.623 -11.245 1.00 1.00 O ATOM 722 CB LEU A 50 15.887 -17.167 -9.809 1.00 1.00 C ATOM 723 CG LEU A 50 16.333 -18.282 -8.857 1.00 1.00 C ATOM 724 CD1 LEU A 50 17.452 -17.761 -7.953 1.00 1.00 C ATOM 725 CD2 LEU A 50 15.152 -18.733 -7.992 1.00 1.00 C ATOM 0 H LEU A 50 16.341 -19.033 -11.351 1.00 1.00 H new ATOM 0 HA LEU A 50 13.970 -18.070 -10.214 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.744 -16.790 -10.368 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.485 -16.330 -9.239 1.00 1.00 H new ATOM 0 HG LEU A 50 16.695 -19.128 -9.441 1.00 1.00 H new ATOM 0 HD11 LEU A 50 17.770 -18.553 -7.275 1.00 1.00 H new ATOM 0 HD12 LEU A 50 18.297 -17.446 -8.565 1.00 1.00 H new ATOM 0 HD13 LEU A 50 17.087 -16.913 -7.374 1.00 1.00 H new ATOM 0 HD21 LEU A 50 15.477 -19.526 -7.318 1.00 1.00 H new ATOM 0 HD22 LEU A 50 14.785 -17.889 -7.409 1.00 1.00 H new ATOM 0 HD23 LEU A 50 14.353 -19.106 -8.633 1.00 1.00 H new ATOM 737 N TRP A 51 14.755 -16.653 -12.951 1.00 1.00 N ATOM 738 CA TRP A 51 14.394 -15.622 -13.911 1.00 1.00 C ATOM 739 C TRP A 51 13.193 -16.060 -14.738 1.00 1.00 C ATOM 740 O TRP A 51 12.321 -15.252 -15.057 1.00 1.00 O ATOM 741 CB TRP A 51 15.578 -15.340 -14.825 1.00 1.00 C ATOM 742 CG TRP A 51 15.096 -14.655 -16.051 1.00 1.00 C ATOM 743 CD1 TRP A 51 14.826 -13.333 -16.152 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.823 -15.229 -17.363 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.406 -13.059 -17.441 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.387 -14.195 -18.225 1.00 1.00 C ATOM 747 CE3 TRP A 51 14.910 -16.533 -17.883 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.050 -14.446 -19.556 1.00 1.00 C ATOM 749 CZ3 TRP A 51 14.572 -16.789 -19.222 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.143 -15.747 -20.057 1.00 1.00 C ATOM 0 H TRP A 51 15.303 -17.422 -13.337 1.00 1.00 H new ATOM 0 HA TRP A 51 14.128 -14.714 -13.370 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.310 -14.718 -14.310 1.00 1.00 H new ATOM 0 HB3 TRP A 51 16.080 -16.271 -15.088 1.00 1.00 H new ATOM 0 HD1 TRP A 51 14.923 -12.610 -15.356 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.142 -12.131 -17.772 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.239 -17.343 -17.248 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 13.720 -13.640 -20.194 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 14.643 -17.794 -19.611 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.885 -15.950 -21.086 1.00 1.00 H new ATOM 761 N THR A 52 13.145 -17.343 -15.070 1.00 1.00 N ATOM 762 CA THR A 52 12.034 -17.873 -15.846 1.00 1.00 C ATOM 763 C THR A 52 10.846 -18.142 -14.931 1.00 1.00 C ATOM 764 O THR A 52 9.703 -17.835 -15.268 1.00 1.00 O ATOM 765 CB THR A 52 12.448 -19.165 -16.551 1.00 1.00 C ATOM 766 OG1 THR A 52 13.481 -18.883 -17.483 1.00 1.00 O ATOM 767 CG2 THR A 52 11.241 -19.748 -17.285 1.00 1.00 C ATOM 0 H THR A 52 13.855 -18.030 -14.817 1.00 1.00 H new ATOM 0 HA THR A 52 11.749 -17.138 -16.599 1.00 1.00 H new ATOM 0 HB THR A 52 12.810 -19.885 -15.817 1.00 1.00 H new ATOM 0 HG1 THR A 52 13.456 -17.933 -17.722 1.00 1.00 H new ATOM 0 HG21 THR A 52 11.532 -20.670 -17.789 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.448 -19.961 -16.569 1.00 1.00 H new ATOM 0 HG23 THR A 52 10.881 -19.030 -18.022 1.00 1.00 H new ATOM 775 N VAL A 53 11.132 -18.707 -13.763 1.00 1.00 N ATOM 776 CA VAL A 53 10.094 -19.006 -12.789 1.00 1.00 C ATOM 777 C VAL A 53 9.491 -17.714 -12.253 1.00 1.00 C ATOM 778 O VAL A 53 8.303 -17.654 -11.933 1.00 1.00 O ATOM 779 CB VAL A 53 10.684 -19.812 -11.629 1.00 1.00 C ATOM 780 CG1 VAL A 53 9.670 -19.883 -10.487 1.00 1.00 C ATOM 781 CG2 VAL A 53 11.009 -21.229 -12.109 1.00 1.00 C ATOM 0 H VAL A 53 12.074 -18.966 -13.470 1.00 1.00 H new ATOM 0 HA VAL A 53 9.314 -19.591 -13.277 1.00 1.00 H new ATOM 0 HB VAL A 53 11.594 -19.327 -11.276 1.00 1.00 H new ATOM 0 HG11 VAL A 53 10.091 -20.457 -9.662 1.00 1.00 H new ATOM 0 HG12 VAL A 53 9.436 -18.875 -10.145 1.00 1.00 H new ATOM 0 HG13 VAL A 53 8.759 -20.368 -10.839 1.00 1.00 H new ATOM 0 HG21 VAL A 53 11.429 -21.805 -11.285 1.00 1.00 H new ATOM 0 HG22 VAL A 53 10.097 -21.712 -12.461 1.00 1.00 H new ATOM 0 HG23 VAL A 53 11.732 -21.180 -12.923 1.00 1.00 H new ATOM 791 N PHE A 54 10.322 -16.685 -12.161 1.00 1.00 N ATOM 792 CA PHE A 54 9.876 -15.390 -11.665 1.00 1.00 C ATOM 793 C PHE A 54 8.733 -14.855 -12.517 1.00 1.00 C ATOM 794 O PHE A 54 7.939 -14.031 -12.063 1.00 1.00 O ATOM 795 CB PHE A 54 11.043 -14.401 -11.690 1.00 1.00 C ATOM 796 CG PHE A 54 11.578 -14.216 -10.286 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.840 -15.333 -9.484 1.00 1.00 C ATOM 798 CD2 PHE A 54 11.810 -12.928 -9.790 1.00 1.00 C ATOM 799 CE1 PHE A 54 12.334 -15.162 -8.185 1.00 1.00 C ATOM 800 CE2 PHE A 54 12.305 -12.757 -8.492 1.00 1.00 C ATOM 801 CZ PHE A 54 12.566 -13.874 -7.689 1.00 1.00 C ATOM 0 H PHE A 54 11.307 -16.721 -12.423 1.00 1.00 H new ATOM 0 HA PHE A 54 9.521 -15.511 -10.642 1.00 1.00 H new ATOM 0 HB2 PHE A 54 11.832 -14.770 -12.346 1.00 1.00 H new ATOM 0 HB3 PHE A 54 10.714 -13.444 -12.094 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.661 -16.327 -9.867 1.00 1.00 H new ATOM 0 HD2 PHE A 54 11.607 -12.066 -10.409 1.00 1.00 H new ATOM 0 HE1 PHE A 54 12.536 -16.024 -7.566 1.00 1.00 H new ATOM 0 HE2 PHE A 54 12.486 -11.763 -8.110 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.946 -13.742 -6.687 1.00 1.00 H new ATOM 811 N ARG A 55 8.657 -15.326 -13.756 1.00 1.00 N ATOM 812 CA ARG A 55 7.607 -14.883 -14.666 1.00 1.00 C ATOM 813 C ARG A 55 6.417 -15.838 -14.626 1.00 1.00 C ATOM 814 O ARG A 55 5.299 -15.464 -14.980 1.00 1.00 O ATOM 815 CB ARG A 55 8.152 -14.804 -16.091 1.00 1.00 C ATOM 816 CG ARG A 55 9.312 -13.809 -16.141 1.00 1.00 C ATOM 817 CD ARG A 55 10.273 -14.211 -17.257 1.00 1.00 C ATOM 818 NE ARG A 55 11.114 -13.084 -17.629 1.00 1.00 N ATOM 819 CZ ARG A 55 11.619 -12.972 -18.853 1.00 1.00 C ATOM 820 NH1 ARG A 55 11.384 -13.897 -19.742 1.00 1.00 N ATOM 821 NH2 ARG A 55 12.349 -11.936 -19.165 1.00 1.00 N ATOM 0 H ARG A 55 9.304 -16.009 -14.151 1.00 1.00 H new ATOM 0 HA ARG A 55 7.273 -13.895 -14.348 1.00 1.00 H new ATOM 0 HB2 ARG A 55 8.489 -15.788 -16.418 1.00 1.00 H new ATOM 0 HB3 ARG A 55 7.363 -14.494 -16.776 1.00 1.00 H new ATOM 0 HG2 ARG A 55 8.935 -12.801 -16.316 1.00 1.00 H new ATOM 0 HG3 ARG A 55 9.834 -13.793 -15.184 1.00 1.00 H new ATOM 0 HD2 ARG A 55 10.894 -15.044 -16.929 1.00 1.00 H new ATOM 0 HD3 ARG A 55 9.710 -14.555 -18.124 1.00 1.00 H new ATOM 0 HE ARG A 55 11.320 -12.365 -16.936 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.813 -14.706 -19.498 1.00 1.00 H new ATOM 0 HH12 ARG A 55 11.771 -13.811 -20.682 1.00 1.00 H new ATOM 0 HH21 ARG A 55 12.532 -11.213 -18.469 1.00 1.00 H new ATOM 0 HH22 ARG A 55 12.737 -11.850 -20.104 1.00 1.00 H new ATOM 835 N LYS A 56 6.663 -17.072 -14.196 1.00 1.00 N ATOM 836 CA LYS A 56 5.598 -18.066 -14.119 1.00 1.00 C ATOM 837 C LYS A 56 4.954 -18.052 -12.737 1.00 1.00 C ATOM 838 O LYS A 56 3.782 -18.398 -12.583 1.00 1.00 O ATOM 839 CB LYS A 56 6.161 -19.463 -14.441 1.00 1.00 C ATOM 840 CG LYS A 56 6.455 -20.242 -13.148 1.00 1.00 C ATOM 841 CD LYS A 56 7.277 -21.501 -13.463 1.00 1.00 C ATOM 842 CE LYS A 56 6.352 -22.610 -13.971 1.00 1.00 C ATOM 843 NZ LYS A 56 7.148 -23.846 -14.215 1.00 1.00 N ATOM 0 H LYS A 56 7.580 -17.405 -13.899 1.00 1.00 H new ATOM 0 HA LYS A 56 4.831 -17.819 -14.853 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.447 -20.017 -15.051 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.074 -19.366 -15.029 1.00 1.00 H new ATOM 0 HG2 LYS A 56 7.000 -19.608 -12.449 1.00 1.00 H new ATOM 0 HG3 LYS A 56 5.520 -20.521 -12.662 1.00 1.00 H new ATOM 0 HD2 LYS A 56 8.034 -21.274 -14.214 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.804 -21.835 -12.569 1.00 1.00 H new ATOM 0 HE2 LYS A 56 5.568 -22.808 -13.240 1.00 1.00 H new ATOM 0 HE3 LYS A 56 5.859 -22.295 -14.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 6.521 -24.600 -14.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 7.881 -23.652 -14.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 7.599 -24.149 -13.328 1.00 1.00 H new ATOM 857 N LYS A 57 5.727 -17.646 -11.736 1.00 1.00 N ATOM 858 CA LYS A 57 5.225 -17.585 -10.368 1.00 1.00 C ATOM 859 C LYS A 57 4.940 -16.140 -9.970 1.00 1.00 C ATOM 860 O LYS A 57 4.360 -15.879 -8.917 1.00 1.00 O ATOM 861 CB LYS A 57 6.254 -18.187 -9.408 1.00 1.00 C ATOM 862 CG LYS A 57 5.546 -18.684 -8.146 1.00 1.00 C ATOM 863 CD LYS A 57 6.483 -18.541 -6.945 1.00 1.00 C ATOM 864 CE LYS A 57 6.004 -19.449 -5.812 1.00 1.00 C ATOM 865 NZ LYS A 57 4.601 -19.098 -5.452 1.00 1.00 N ATOM 0 H LYS A 57 6.699 -17.356 -11.845 1.00 1.00 H new ATOM 0 HA LYS A 57 4.299 -18.157 -10.312 1.00 1.00 H new ATOM 0 HB2 LYS A 57 6.779 -19.011 -9.891 1.00 1.00 H new ATOM 0 HB3 LYS A 57 7.004 -17.440 -9.147 1.00 1.00 H new ATOM 0 HG2 LYS A 57 4.633 -18.112 -7.979 1.00 1.00 H new ATOM 0 HG3 LYS A 57 5.251 -19.726 -8.268 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.501 -18.805 -7.231 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.505 -17.504 -6.609 1.00 1.00 H new ATOM 0 HE2 LYS A 57 6.061 -20.493 -6.120 1.00 1.00 H new ATOM 0 HE3 LYS A 57 6.652 -19.337 -4.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 4.372 -19.496 -4.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 4.499 -18.063 -5.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 3.952 -19.489 -6.164 1.00 1.00 H new ATOM 879 N GLY A 58 5.354 -15.208 -10.822 1.00 1.00 N ATOM 880 CA GLY A 58 5.139 -13.792 -10.553 1.00 1.00 C ATOM 881 C GLY A 58 3.791 -13.331 -11.099 1.00 1.00 C ATOM 882 O GLY A 58 3.153 -12.444 -10.532 1.00 1.00 O ATOM 0 H GLY A 58 5.837 -15.406 -11.698 1.00 1.00 H new ATOM 0 HA2 GLY A 58 5.181 -13.612 -9.479 1.00 1.00 H new ATOM 0 HA3 GLY A 58 5.939 -13.206 -11.006 1.00 1.00 H new ATOM 886 N HIS A 59 3.365 -13.938 -12.202 1.00 1.00 N ATOM 887 CA HIS A 59 2.090 -13.581 -12.814 1.00 1.00 C ATOM 888 C HIS A 59 0.958 -13.693 -11.799 1.00 1.00 C ATOM 889 O HIS A 59 0.171 -12.762 -11.626 1.00 1.00 O ATOM 890 CB HIS A 59 1.806 -14.501 -14.002 1.00 1.00 C ATOM 891 CG HIS A 59 1.964 -13.729 -15.283 1.00 1.00 C ATOM 892 ND1 HIS A 59 1.142 -12.661 -15.609 1.00 1.00 N ATOM 893 CD2 HIS A 59 2.842 -13.858 -16.331 1.00 1.00 C ATOM 894 CE1 HIS A 59 1.539 -12.193 -16.806 1.00 1.00 C ATOM 895 NE2 HIS A 59 2.573 -12.887 -17.290 1.00 1.00 N ATOM 0 H HIS A 59 3.879 -14.673 -12.687 1.00 1.00 H new ATOM 0 HA HIS A 59 2.151 -12.549 -13.160 1.00 1.00 H new ATOM 0 HB2 HIS A 59 2.490 -15.350 -13.990 1.00 1.00 H new ATOM 0 HB3 HIS A 59 0.796 -14.904 -13.930 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.623 -14.601 -16.400 1.00 1.00 H new ATOM 0 HE1 HIS A 59 1.078 -11.358 -17.314 1.00 1.00 H new ATOM 0 HE2 HIS A 59 3.061 -12.737 -18.173 1.00 1.00 H new