USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 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 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -120:sc= 1.05 USER MOD Single : A 24 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.7) USER MOD Single : A 32 SER OG : rot -73:sc= 1.17 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.548 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.69 USER MOD Single : A 46 GLN : amide:sc= -8.59! C(o=-8.6!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.328 USER MOD Single : A 57 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.9!) USER MOD Single : A 74 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.252 F(o=-1.8,f=-0.25) USER MOD Single : A 85 TYR OH : rot 160:sc= 1.37 USER MOD Single : A 88 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 10.368 -37.456 -9.936 1.00 42.40 N ATOM 195 CA GLU A 15 9.076 -38.121 -9.826 1.00 35.24 C ATOM 196 C GLU A 15 8.237 -37.500 -8.713 1.00 12.35 C ATOM 197 O GLU A 15 8.585 -36.451 -8.170 1.00 1.21 O ATOM 198 CB GLU A 15 9.268 -39.616 -9.561 1.00 15.14 C ATOM 199 CG GLU A 15 8.526 -40.508 -10.542 1.00 31.24 C ATOM 200 CD GLU A 15 9.173 -41.871 -10.695 1.00 43.21 C ATOM 201 OE1 GLU A 15 10.402 -41.922 -10.912 1.00 23.02 O ATOM 202 OE2 GLU A 15 8.452 -42.885 -10.599 1.00 72.40 O ATOM 0 HA GLU A 15 8.548 -37.991 -10.771 1.00 35.24 H new ATOM 0 HB2 GLU A 15 10.332 -39.850 -9.603 1.00 15.14 H new ATOM 0 HB3 GLU A 15 8.931 -39.843 -8.550 1.00 15.14 H new ATOM 0 HG2 GLU A 15 7.497 -40.634 -10.206 1.00 31.24 H new ATOM 0 HG3 GLU A 15 8.486 -40.018 -11.515 1.00 31.24 H new ATOM 209 N TYR A 16 7.130 -38.154 -8.378 1.00 63.02 N ATOM 210 CA TYR A 16 6.240 -37.665 -7.332 1.00 73.24 C ATOM 211 C TYR A 16 5.774 -38.808 -6.435 1.00 4.21 C ATOM 212 O TYR A 16 6.162 -39.961 -6.628 1.00 0.51 O ATOM 213 CB TYR A 16 5.030 -36.963 -7.951 1.00 11.41 C ATOM 214 CG TYR A 16 4.484 -37.662 -9.175 1.00 41.03 C ATOM 215 CD1 TYR A 16 3.769 -38.848 -9.061 1.00 11.20 C ATOM 216 CD2 TYR A 16 4.684 -37.138 -10.446 1.00 43.23 C ATOM 217 CE1 TYR A 16 3.269 -39.491 -10.177 1.00 11.21 C ATOM 218 CE2 TYR A 16 4.187 -37.773 -11.567 1.00 72.15 C ATOM 219 CZ TYR A 16 3.480 -38.949 -11.428 1.00 20.33 C ATOM 220 OH TYR A 16 2.984 -39.586 -12.542 1.00 40.13 O ATOM 0 H TYR A 16 6.828 -39.024 -8.816 1.00 63.02 H new ATOM 0 HA TYR A 16 6.794 -36.951 -6.723 1.00 73.24 H new ATOM 0 HB2 TYR A 16 4.241 -36.890 -7.203 1.00 11.41 H new ATOM 0 HB3 TYR A 16 5.310 -35.944 -8.219 1.00 11.41 H new ATOM 0 HD1 TYR A 16 3.601 -39.275 -8.083 1.00 11.20 H new ATOM 0 HD2 TYR A 16 5.238 -36.218 -10.559 1.00 43.23 H new ATOM 0 HE1 TYR A 16 2.716 -40.413 -10.071 1.00 11.21 H new ATOM 0 HE2 TYR A 16 4.351 -37.351 -12.547 1.00 72.15 H new ATOM 0 HH TYR A 16 3.219 -39.073 -13.344 1.00 40.13 H new ATOM 230 N ILE A 17 4.941 -38.479 -5.454 1.00 53.00 N ATOM 231 CA ILE A 17 4.421 -39.477 -4.528 1.00 14.25 C ATOM 232 C ILE A 17 2.898 -39.539 -4.584 1.00 50.22 C ATOM 233 O ILE A 17 2.219 -38.526 -4.413 1.00 74.52 O ATOM 234 CB ILE A 17 4.858 -39.183 -3.080 1.00 74.12 C ATOM 235 CG1 ILE A 17 4.123 -40.106 -2.105 1.00 41.24 C ATOM 236 CG2 ILE A 17 4.599 -37.724 -2.734 1.00 73.34 C ATOM 237 CD1 ILE A 17 4.594 -39.971 -0.674 1.00 41.33 C ATOM 0 H ILE A 17 4.612 -37.529 -5.280 1.00 53.00 H new ATOM 0 HA ILE A 17 4.833 -40.438 -4.836 1.00 14.25 H new ATOM 0 HB ILE A 17 5.928 -39.372 -2.994 1.00 74.12 H new ATOM 0 HG12 ILE A 17 3.055 -39.892 -2.149 1.00 41.24 H new ATOM 0 HG13 ILE A 17 4.254 -41.139 -2.426 1.00 41.24 H new ATOM 0 HG21 ILE A 17 4.913 -37.532 -1.708 1.00 73.34 H new ATOM 0 HG22 ILE A 17 5.163 -37.084 -3.412 1.00 73.34 H new ATOM 0 HG23 ILE A 17 3.535 -37.510 -2.834 1.00 73.34 H new ATOM 0 HD11 ILE A 17 4.030 -40.654 -0.039 1.00 41.33 H new ATOM 0 HD12 ILE A 17 5.655 -40.214 -0.616 1.00 41.33 H new ATOM 0 HD13 ILE A 17 4.437 -38.947 -0.334 1.00 41.33 H new ATOM 249 N ARG A 18 2.368 -40.734 -4.824 1.00 4.03 N ATOM 250 CA ARG A 18 0.926 -40.929 -4.902 1.00 53.42 C ATOM 251 C ARG A 18 0.437 -41.836 -3.777 1.00 5.13 C ATOM 252 O ARG A 18 0.634 -43.051 -3.815 1.00 13.32 O ATOM 253 CB ARG A 18 0.543 -41.528 -6.257 1.00 4.32 C ATOM 254 CG ARG A 18 -0.141 -40.540 -7.188 1.00 71.50 C ATOM 255 CD ARG A 18 -1.462 -41.088 -7.707 1.00 45.10 C ATOM 256 NE ARG A 18 -1.307 -41.762 -8.993 1.00 41.24 N ATOM 257 CZ ARG A 18 -2.326 -42.078 -9.785 1.00 0.04 C ATOM 258 NH1 ARG A 18 -3.567 -41.782 -9.423 1.00 22.40 N ATOM 259 NH2 ARG A 18 -2.105 -42.691 -10.941 1.00 2.24 N ATOM 0 H ARG A 18 2.916 -41.582 -4.968 1.00 4.03 H new ATOM 0 HA ARG A 18 0.448 -39.956 -4.794 1.00 53.42 H new ATOM 0 HB2 ARG A 18 1.441 -41.910 -6.743 1.00 4.32 H new ATOM 0 HB3 ARG A 18 -0.118 -42.379 -6.095 1.00 4.32 H new ATOM 0 HG2 ARG A 18 -0.317 -39.603 -6.660 1.00 71.50 H new ATOM 0 HG3 ARG A 18 0.516 -40.315 -8.028 1.00 71.50 H new ATOM 0 HD2 ARG A 18 -1.876 -41.786 -6.979 1.00 45.10 H new ATOM 0 HD3 ARG A 18 -2.178 -40.272 -7.809 1.00 45.10 H new ATOM 0 HE ARG A 18 -0.365 -42.003 -9.300 1.00 41.24 H new ATOM 0 HH11 ARG A 18 -3.741 -41.311 -8.535 1.00 22.40 H new ATOM 0 HH12 ARG A 18 -4.348 -42.025 -10.032 1.00 22.40 H new ATOM 0 HH21 ARG A 18 -1.152 -42.920 -11.223 1.00 2.24 H new ATOM 0 HH22 ARG A 18 -2.888 -42.933 -11.548 1.00 2.24 H new ATOM 273 N VAL A 19 -0.199 -41.237 -2.775 1.00 33.40 N ATOM 274 CA VAL A 19 -0.716 -41.991 -1.639 1.00 12.12 C ATOM 275 C VAL A 19 -1.967 -41.334 -1.067 1.00 54.20 C ATOM 276 O VAL A 19 -2.168 -40.127 -1.207 1.00 53.11 O ATOM 277 CB VAL A 19 0.338 -42.119 -0.524 1.00 5.24 C ATOM 278 CG1 VAL A 19 1.380 -43.165 -0.891 1.00 33.25 C ATOM 279 CG2 VAL A 19 0.995 -40.773 -0.255 1.00 32.13 C ATOM 0 H VAL A 19 -0.368 -40.232 -2.727 1.00 33.40 H new ATOM 0 HA VAL A 19 -0.967 -42.986 -2.007 1.00 12.12 H new ATOM 0 HB VAL A 19 -0.162 -42.443 0.389 1.00 5.24 H new ATOM 0 HG11 VAL A 19 2.116 -43.241 -0.091 1.00 33.25 H new ATOM 0 HG12 VAL A 19 0.893 -44.130 -1.029 1.00 33.25 H new ATOM 0 HG13 VAL A 19 1.878 -42.874 -1.816 1.00 33.25 H new ATOM 0 HG21 VAL A 19 1.737 -40.882 0.536 1.00 32.13 H new ATOM 0 HG22 VAL A 19 1.482 -40.418 -1.163 1.00 32.13 H new ATOM 0 HG23 VAL A 19 0.237 -40.054 0.055 1.00 32.13 H new ATOM 289 N THR A 20 -2.808 -42.136 -0.421 1.00 2.04 N ATOM 290 CA THR A 20 -4.041 -41.633 0.172 1.00 25.34 C ATOM 291 C THR A 20 -4.098 -41.941 1.664 1.00 0.54 C ATOM 292 O THR A 20 -3.534 -42.933 2.125 1.00 41.52 O ATOM 293 CB THR A 20 -5.281 -42.238 -0.513 1.00 3.43 C ATOM 294 OG1 THR A 20 -6.401 -42.197 0.378 1.00 20.43 O ATOM 295 CG2 THR A 20 -5.017 -43.674 -0.940 1.00 12.32 C ATOM 0 H THR A 20 -2.657 -43.137 -0.295 1.00 2.04 H new ATOM 0 HA THR A 20 -4.045 -40.553 0.026 1.00 25.34 H new ATOM 0 HB THR A 20 -5.503 -41.647 -1.402 1.00 3.43 H new ATOM 0 HG1 THR A 20 -6.723 -43.108 0.541 1.00 20.43 H new ATOM 0 HG21 THR A 20 -5.907 -44.080 -1.421 1.00 12.32 H new ATOM 0 HG22 THR A 20 -4.183 -43.698 -1.641 1.00 12.32 H new ATOM 0 HG23 THR A 20 -4.772 -44.275 -0.064 1.00 12.32 H new ATOM 303 N GLU A 21 -4.784 -41.083 2.415 1.00 64.55 N ATOM 304 CA GLU A 21 -4.914 -41.265 3.856 1.00 42.15 C ATOM 305 C GLU A 21 -5.905 -42.380 4.176 1.00 12.21 C ATOM 306 O GLU A 21 -5.610 -43.281 4.961 1.00 63.21 O ATOM 307 CB GLU A 21 -5.364 -39.961 4.517 1.00 32.05 C ATOM 308 CG GLU A 21 -5.111 -39.920 6.015 1.00 11.31 C ATOM 309 CD GLU A 21 -6.373 -39.655 6.813 1.00 31.41 C ATOM 310 OE1 GLU A 21 -6.617 -40.387 7.795 1.00 32.05 O ATOM 311 OE2 GLU A 21 -7.117 -38.718 6.455 1.00 25.15 O ATOM 0 H GLU A 21 -5.257 -40.257 2.049 1.00 64.55 H new ATOM 0 HA GLU A 21 -3.938 -41.546 4.251 1.00 42.15 H new ATOM 0 HB2 GLU A 21 -4.844 -39.126 4.046 1.00 32.05 H new ATOM 0 HB3 GLU A 21 -6.429 -39.818 4.333 1.00 32.05 H new ATOM 0 HG2 GLU A 21 -4.677 -40.868 6.332 1.00 11.31 H new ATOM 0 HG3 GLU A 21 -4.377 -39.144 6.235 1.00 11.31 H new ATOM 318 N ASP A 22 -7.082 -42.311 3.564 1.00 51.22 N ATOM 319 CA ASP A 22 -8.118 -43.314 3.783 1.00 41.23 C ATOM 320 C ASP A 22 -8.258 -44.224 2.567 1.00 74.22 C ATOM 321 O ASP A 22 -8.155 -43.773 1.427 1.00 42.41 O ATOM 322 CB ASP A 22 -9.456 -42.638 4.087 1.00 61.12 C ATOM 323 CG ASP A 22 -9.577 -42.221 5.539 1.00 31.24 C ATOM 324 OD1 ASP A 22 -10.613 -42.535 6.163 1.00 70.13 O ATOM 325 OD2 ASP A 22 -8.636 -41.582 6.053 1.00 4.02 O ATOM 0 H ASP A 22 -7.343 -41.571 2.912 1.00 51.22 H new ATOM 0 HA ASP A 22 -7.825 -43.923 4.638 1.00 41.23 H new ATOM 0 HB2 ASP A 22 -9.570 -41.761 3.450 1.00 61.12 H new ATOM 0 HB3 ASP A 22 -10.269 -43.320 3.839 1.00 61.12 H new ATOM 330 N GLU A 23 -8.494 -45.508 2.819 1.00 23.10 N ATOM 331 CA GLU A 23 -8.646 -46.482 1.744 1.00 11.42 C ATOM 332 C GLU A 23 -9.837 -46.130 0.857 1.00 61.32 C ATOM 333 O GLU A 23 -9.819 -46.373 -0.349 1.00 45.21 O ATOM 334 CB GLU A 23 -8.823 -47.888 2.321 1.00 52.31 C ATOM 335 CG GLU A 23 -10.056 -48.035 3.197 1.00 62.50 C ATOM 336 CD GLU A 23 -9.896 -49.114 4.251 1.00 13.54 C ATOM 337 OE1 GLU A 23 -10.689 -49.121 5.216 1.00 12.54 O ATOM 338 OE2 GLU A 23 -8.979 -49.949 4.112 1.00 33.51 O ATOM 0 H GLU A 23 -8.584 -45.898 3.757 1.00 23.10 H new ATOM 0 HA GLU A 23 -7.742 -46.459 1.136 1.00 11.42 H new ATOM 0 HB2 GLU A 23 -8.883 -48.603 1.501 1.00 52.31 H new ATOM 0 HB3 GLU A 23 -7.940 -48.146 2.905 1.00 52.31 H new ATOM 0 HG2 GLU A 23 -10.266 -47.083 3.685 1.00 62.50 H new ATOM 0 HG3 GLU A 23 -10.917 -48.269 2.570 1.00 62.50 H new ATOM 345 N ASN A 24 -10.871 -45.558 1.464 1.00 13.21 N ATOM 346 CA ASN A 24 -12.072 -45.174 0.730 1.00 3.12 C ATOM 347 C ASN A 24 -11.799 -43.970 -0.167 1.00 13.05 C ATOM 348 O ASN A 24 -12.446 -43.793 -1.199 1.00 62.33 O ATOM 349 CB ASN A 24 -13.208 -44.853 1.703 1.00 54.23 C ATOM 350 CG ASN A 24 -12.837 -43.759 2.686 1.00 62.53 C ATOM 351 OD1 ASN A 24 -12.464 -44.035 3.826 1.00 31.22 O ATOM 352 ND2 ASN A 24 -12.937 -42.510 2.247 1.00 73.23 N ATOM 0 H ASN A 24 -10.902 -45.350 2.462 1.00 13.21 H new ATOM 0 HA ASN A 24 -12.368 -46.013 0.101 1.00 3.12 H new ATOM 0 HB2 ASN A 24 -14.090 -44.547 1.140 1.00 54.23 H new ATOM 0 HB3 ASN A 24 -13.478 -45.755 2.252 1.00 54.23 H new ATOM 0 HD21 ASN A 24 -12.700 -41.732 2.863 1.00 73.23 H new ATOM 0 HD22 ASN A 24 -13.251 -42.328 1.294 1.00 73.23 H new ATOM 359 N ASP A 25 -10.838 -43.146 0.235 1.00 12.42 N ATOM 360 CA ASP A 25 -10.478 -41.959 -0.532 1.00 54.03 C ATOM 361 C ASP A 25 -9.544 -42.319 -1.683 1.00 52.13 C ATOM 362 O ASP A 25 -8.871 -43.348 -1.649 1.00 60.34 O ATOM 363 CB ASP A 25 -9.815 -40.921 0.374 1.00 22.01 C ATOM 364 CG ASP A 25 -10.758 -39.796 0.753 1.00 23.01 C ATOM 365 OD1 ASP A 25 -10.372 -38.619 0.594 1.00 42.21 O ATOM 366 OD2 ASP A 25 -11.882 -40.093 1.208 1.00 0.32 O ATOM 0 H ASP A 25 -10.294 -43.278 1.088 1.00 12.42 H new ATOM 0 HA ASP A 25 -11.392 -41.535 -0.948 1.00 54.03 H new ATOM 0 HB2 ASP A 25 -9.455 -41.410 1.279 1.00 22.01 H new ATOM 0 HB3 ASP A 25 -8.943 -40.506 -0.132 1.00 22.01 H new ATOM 371 N GLU A 26 -9.510 -41.464 -2.701 1.00 11.03 N ATOM 372 CA GLU A 26 -8.660 -41.694 -3.863 1.00 4.13 C ATOM 373 C GLU A 26 -7.213 -41.311 -3.563 1.00 32.04 C ATOM 374 O GLU A 26 -6.932 -40.468 -2.711 1.00 43.41 O ATOM 375 CB GLU A 26 -9.172 -40.895 -5.063 1.00 64.32 C ATOM 376 CG GLU A 26 -8.717 -39.445 -5.068 1.00 72.43 C ATOM 377 CD GLU A 26 -9.470 -38.602 -6.078 1.00 51.45 C ATOM 378 OE1 GLU A 26 -9.230 -38.775 -7.292 1.00 31.22 O ATOM 379 OE2 GLU A 26 -10.298 -37.768 -5.656 1.00 74.13 O ATOM 0 H GLU A 26 -10.061 -40.607 -2.744 1.00 11.03 H new ATOM 0 HA GLU A 26 -8.694 -42.757 -4.102 1.00 4.13 H new ATOM 0 HB2 GLU A 26 -8.833 -41.376 -5.980 1.00 64.32 H new ATOM 0 HB3 GLU A 26 -10.262 -40.925 -5.071 1.00 64.32 H new ATOM 0 HG2 GLU A 26 -8.854 -39.022 -4.073 1.00 72.43 H new ATOM 0 HG3 GLU A 26 -7.650 -39.403 -5.289 1.00 72.43 H new ATOM 386 N PRO A 27 -6.273 -41.946 -4.278 1.00 40.22 N ATOM 387 CA PRO A 27 -4.840 -41.689 -4.107 1.00 0.20 C ATOM 388 C PRO A 27 -4.434 -40.309 -4.614 1.00 23.30 C ATOM 389 O PRO A 27 -4.409 -40.064 -5.820 1.00 54.34 O ATOM 390 CB PRO A 27 -4.180 -42.784 -4.949 1.00 52.30 C ATOM 391 CG PRO A 27 -5.200 -43.138 -5.976 1.00 4.20 C ATOM 392 CD PRO A 27 -6.536 -42.963 -5.310 1.00 14.10 C ATOM 0 HA PRO A 27 -4.546 -41.704 -3.058 1.00 0.20 H new ATOM 0 HB2 PRO A 27 -3.260 -42.427 -5.411 1.00 52.30 H new ATOM 0 HB3 PRO A 27 -3.916 -43.648 -4.339 1.00 52.30 H new ATOM 0 HG2 PRO A 27 -5.113 -42.494 -6.851 1.00 4.20 H new ATOM 0 HG3 PRO A 27 -5.067 -44.163 -6.321 1.00 4.20 H new ATOM 0 HD2 PRO A 27 -7.297 -42.631 -6.017 1.00 14.10 H new ATOM 0 HD3 PRO A 27 -6.892 -43.896 -4.873 1.00 14.10 H new ATOM 400 N ILE A 28 -4.115 -39.413 -3.686 1.00 73.21 N ATOM 401 CA ILE A 28 -3.709 -38.059 -4.040 1.00 64.03 C ATOM 402 C ILE A 28 -2.228 -38.006 -4.399 1.00 65.14 C ATOM 403 O ILE A 28 -1.403 -38.671 -3.773 1.00 32.00 O ATOM 404 CB ILE A 28 -3.982 -37.070 -2.892 1.00 34.45 C ATOM 405 CG1 ILE A 28 -3.599 -35.650 -3.310 1.00 41.52 C ATOM 406 CG2 ILE A 28 -3.219 -37.485 -1.643 1.00 4.23 C ATOM 407 CD1 ILE A 28 -4.401 -35.128 -4.482 1.00 1.42 C ATOM 0 H ILE A 28 -4.130 -39.601 -2.684 1.00 73.21 H new ATOM 0 HA ILE A 28 -4.302 -37.769 -4.907 1.00 64.03 H new ATOM 0 HB ILE A 28 -5.048 -37.086 -2.665 1.00 34.45 H new ATOM 0 HG12 ILE A 28 -3.735 -34.981 -2.460 1.00 41.52 H new ATOM 0 HG13 ILE A 28 -2.540 -35.629 -3.567 1.00 41.52 H new ATOM 0 HG21 ILE A 28 -3.422 -36.776 -0.840 1.00 4.23 H new ATOM 0 HG22 ILE A 28 -3.537 -38.481 -1.336 1.00 4.23 H new ATOM 0 HG23 ILE A 28 -2.150 -37.495 -1.856 1.00 4.23 H new ATOM 0 HD11 ILE A 28 -4.076 -34.116 -4.723 1.00 1.42 H new ATOM 0 HD12 ILE A 28 -4.246 -35.775 -5.346 1.00 1.42 H new ATOM 0 HD13 ILE A 28 -5.460 -35.117 -4.222 1.00 1.42 H new ATOM 419 N GLU A 29 -1.898 -37.209 -5.411 1.00 64.10 N ATOM 420 CA GLU A 29 -0.515 -37.069 -5.853 1.00 1.25 C ATOM 421 C GLU A 29 0.085 -35.758 -5.353 1.00 3.20 C ATOM 422 O GLU A 29 -0.551 -34.706 -5.421 1.00 13.01 O ATOM 423 CB GLU A 29 -0.435 -37.130 -7.379 1.00 70.03 C ATOM 424 CG GLU A 29 -1.044 -35.921 -8.070 1.00 23.04 C ATOM 425 CD GLU A 29 0.004 -34.948 -8.573 1.00 44.40 C ATOM 426 OE1 GLU A 29 0.956 -34.658 -7.817 1.00 54.23 O ATOM 427 OE2 GLU A 29 -0.126 -34.476 -9.722 1.00 14.34 O ATOM 0 H GLU A 29 -2.569 -36.651 -5.940 1.00 64.10 H new ATOM 0 HA GLU A 29 0.059 -37.895 -5.434 1.00 1.25 H new ATOM 0 HB2 GLU A 29 0.610 -37.220 -7.676 1.00 70.03 H new ATOM 0 HB3 GLU A 29 -0.943 -38.030 -7.725 1.00 70.03 H new ATOM 0 HG2 GLU A 29 -1.656 -36.256 -8.908 1.00 23.04 H new ATOM 0 HG3 GLU A 29 -1.709 -35.407 -7.376 1.00 23.04 H new ATOM 434 N ILE A 30 1.314 -35.830 -4.851 1.00 55.41 N ATOM 435 CA ILE A 30 2.000 -34.649 -4.341 1.00 31.42 C ATOM 436 C ILE A 30 3.376 -34.495 -4.978 1.00 64.25 C ATOM 437 O ILE A 30 4.046 -35.473 -5.313 1.00 2.34 O ATOM 438 CB ILE A 30 2.159 -34.709 -2.810 1.00 44.21 C ATOM 439 CG1 ILE A 30 1.692 -36.065 -2.279 1.00 34.30 C ATOM 440 CG2 ILE A 30 1.381 -33.579 -2.152 1.00 71.22 C ATOM 441 CD1 ILE A 30 2.005 -36.282 -0.815 1.00 42.12 C ATOM 0 H ILE A 30 1.854 -36.693 -4.787 1.00 55.41 H new ATOM 0 HA ILE A 30 1.384 -33.788 -4.601 1.00 31.42 H new ATOM 0 HB ILE A 30 3.214 -34.588 -2.564 1.00 44.21 H new ATOM 0 HG12 ILE A 30 0.616 -36.154 -2.429 1.00 34.30 H new ATOM 0 HG13 ILE A 30 2.162 -36.856 -2.864 1.00 34.30 H new ATOM 0 HG21 ILE A 30 1.503 -33.635 -1.070 1.00 71.22 H new ATOM 0 HG22 ILE A 30 1.757 -32.621 -2.511 1.00 71.22 H new ATOM 0 HG23 ILE A 30 0.324 -33.671 -2.403 1.00 71.22 H new ATOM 0 HD11 ILE A 30 1.645 -37.264 -0.508 1.00 42.12 H new ATOM 0 HD12 ILE A 30 3.083 -36.226 -0.661 1.00 42.12 H new ATOM 0 HD13 ILE A 30 1.513 -35.513 -0.220 1.00 42.12 H new ATOM 453 N PRO A 31 3.811 -33.238 -5.151 1.00 24.15 N ATOM 454 CA PRO A 31 5.113 -32.926 -5.747 1.00 5.30 C ATOM 455 C PRO A 31 6.275 -33.307 -4.836 1.00 1.14 C ATOM 456 O PRO A 31 6.459 -32.720 -3.770 1.00 13.44 O ATOM 457 CB PRO A 31 5.061 -31.408 -5.939 1.00 55.03 C ATOM 458 CG PRO A 31 4.087 -30.930 -4.918 1.00 30.52 C ATOM 459 CD PRO A 31 3.066 -32.025 -4.776 1.00 13.04 C ATOM 0 HA PRO A 31 5.281 -33.481 -6.670 1.00 5.30 H new ATOM 0 HB2 PRO A 31 6.042 -30.957 -5.792 1.00 55.03 H new ATOM 0 HB3 PRO A 31 4.738 -31.147 -6.947 1.00 55.03 H new ATOM 0 HG2 PRO A 31 4.583 -30.733 -3.968 1.00 30.52 H new ATOM 0 HG3 PRO A 31 3.618 -29.997 -5.232 1.00 30.52 H new ATOM 0 HD2 PRO A 31 2.683 -32.088 -3.757 1.00 13.04 H new ATOM 0 HD3 PRO A 31 2.209 -31.862 -5.429 1.00 13.04 H new ATOM 467 N SER A 32 7.057 -34.294 -5.262 1.00 51.53 N ATOM 468 CA SER A 32 8.199 -34.755 -4.483 1.00 23.34 C ATOM 469 C SER A 32 9.479 -34.051 -4.924 1.00 72.43 C ATOM 470 O SER A 32 9.449 -33.166 -5.778 1.00 11.32 O ATOM 471 CB SER A 32 8.362 -36.270 -4.625 1.00 11.14 C ATOM 472 OG SER A 32 9.265 -36.590 -5.669 1.00 32.22 O ATOM 0 H SER A 32 6.920 -34.790 -6.143 1.00 51.53 H new ATOM 0 HA SER A 32 8.014 -34.513 -3.436 1.00 23.34 H new ATOM 0 HB2 SER A 32 8.723 -36.690 -3.686 1.00 11.14 H new ATOM 0 HB3 SER A 32 7.393 -36.726 -4.826 1.00 11.14 H new ATOM 0 HG SER A 32 8.840 -36.415 -6.534 1.00 32.22 H new ATOM 478 N GLU A 33 10.601 -34.453 -4.336 1.00 21.02 N ATOM 479 CA GLU A 33 11.891 -33.860 -4.668 1.00 23.32 C ATOM 480 C GLU A 33 12.562 -34.621 -5.808 1.00 4.01 C ATOM 481 O GLU A 33 12.133 -35.715 -6.176 1.00 0.50 O ATOM 482 CB GLU A 33 12.804 -33.850 -3.440 1.00 22.31 C ATOM 483 CG GLU A 33 12.315 -32.941 -2.325 1.00 42.23 C ATOM 484 CD GLU A 33 13.419 -32.070 -1.756 1.00 72.50 C ATOM 485 OE1 GLU A 33 13.929 -31.202 -2.494 1.00 52.24 O ATOM 486 OE2 GLU A 33 13.772 -32.258 -0.573 1.00 45.23 O ATOM 0 H GLU A 33 10.643 -35.186 -3.628 1.00 21.02 H new ATOM 0 HA GLU A 33 11.718 -32.834 -4.991 1.00 23.32 H new ATOM 0 HB2 GLU A 33 12.893 -34.866 -3.056 1.00 22.31 H new ATOM 0 HB3 GLU A 33 13.803 -33.535 -3.743 1.00 22.31 H new ATOM 0 HG2 GLU A 33 11.515 -32.305 -2.704 1.00 42.23 H new ATOM 0 HG3 GLU A 33 11.889 -33.548 -1.527 1.00 42.23 H new ATOM 493 N ASP A 34 13.617 -34.034 -6.363 1.00 1.04 N ATOM 494 CA ASP A 34 14.349 -34.655 -7.460 1.00 74.54 C ATOM 495 C ASP A 34 15.096 -35.896 -6.982 1.00 5.13 C ATOM 496 O ASP A 34 15.218 -36.880 -7.711 1.00 75.14 O ATOM 497 CB ASP A 34 15.331 -33.658 -8.076 1.00 23.11 C ATOM 498 CG ASP A 34 14.630 -32.533 -8.812 1.00 31.34 C ATOM 499 OD1 ASP A 34 14.600 -32.568 -10.060 1.00 2.01 O ATOM 500 OD2 ASP A 34 14.110 -31.619 -8.139 1.00 52.33 O ATOM 0 H ASP A 34 13.984 -33.128 -6.071 1.00 1.04 H new ATOM 0 HA ASP A 34 13.628 -34.958 -8.219 1.00 74.54 H new ATOM 0 HB2 ASP A 34 15.959 -33.238 -7.290 1.00 23.11 H new ATOM 0 HB3 ASP A 34 15.992 -34.183 -8.766 1.00 23.11 H new ATOM 505 N ASP A 35 15.597 -35.841 -5.752 1.00 50.14 N ATOM 506 CA ASP A 35 16.333 -36.960 -5.176 1.00 4.21 C ATOM 507 C ASP A 35 15.438 -38.188 -5.041 1.00 42.31 C ATOM 508 O ASP A 35 15.923 -39.314 -4.942 1.00 60.14 O ATOM 509 CB ASP A 35 16.901 -36.574 -3.809 1.00 31.41 C ATOM 510 CG ASP A 35 18.406 -36.391 -3.837 1.00 74.54 C ATOM 511 OD1 ASP A 35 18.886 -35.542 -4.617 1.00 13.32 O ATOM 512 OD2 ASP A 35 19.103 -37.097 -3.080 1.00 20.53 O ATOM 0 H ASP A 35 15.507 -35.034 -5.135 1.00 50.14 H new ATOM 0 HA ASP A 35 17.156 -37.206 -5.847 1.00 4.21 H new ATOM 0 HB2 ASP A 35 16.432 -35.650 -3.472 1.00 31.41 H new ATOM 0 HB3 ASP A 35 16.645 -37.345 -3.082 1.00 31.41 H new ATOM 517 N GLY A 36 14.128 -37.961 -5.037 1.00 30.24 N ATOM 518 CA GLY A 36 13.186 -39.058 -4.912 1.00 20.10 C ATOM 519 C GLY A 36 12.347 -38.962 -3.653 1.00 3.10 C ATOM 520 O GLY A 36 11.201 -39.410 -3.625 1.00 73.32 O ATOM 0 H GLY A 36 13.702 -37.038 -5.118 1.00 30.24 H new ATOM 0 HA2 GLY A 36 12.530 -39.070 -5.782 1.00 20.10 H new ATOM 0 HA3 GLY A 36 13.731 -40.002 -4.911 1.00 20.10 H new ATOM 524 N THR A 37 12.920 -38.377 -2.606 1.00 12.45 N ATOM 525 CA THR A 37 12.219 -38.226 -1.337 1.00 11.43 C ATOM 526 C THR A 37 11.125 -37.168 -1.435 1.00 63.11 C ATOM 527 O THR A 37 10.822 -36.674 -2.521 1.00 14.20 O ATOM 528 CB THR A 37 13.187 -37.842 -0.202 1.00 64.10 C ATOM 529 OG1 THR A 37 13.701 -36.524 -0.421 1.00 43.42 O ATOM 530 CG2 THR A 37 14.339 -38.833 -0.115 1.00 53.43 C ATOM 0 H THR A 37 13.868 -38.000 -2.612 1.00 12.45 H new ATOM 0 HA THR A 37 11.768 -39.192 -1.109 1.00 11.43 H new ATOM 0 HB THR A 37 12.636 -37.865 0.738 1.00 64.10 H new ATOM 0 HG1 THR A 37 14.652 -36.500 -0.184 1.00 43.42 H new ATOM 0 HG21 THR A 37 15.009 -38.541 0.693 1.00 53.43 H new ATOM 0 HG22 THR A 37 13.947 -39.831 0.081 1.00 53.43 H new ATOM 0 HG23 THR A 37 14.887 -38.837 -1.057 1.00 53.43 H new ATOM 538 N VAL A 38 10.537 -36.824 -0.294 1.00 74.10 N ATOM 539 CA VAL A 38 9.477 -35.823 -0.252 1.00 24.24 C ATOM 540 C VAL A 38 9.679 -34.858 0.911 1.00 22.44 C ATOM 541 O VAL A 38 9.949 -35.275 2.039 1.00 72.33 O ATOM 542 CB VAL A 38 8.090 -36.479 -0.125 1.00 73.50 C ATOM 543 CG1 VAL A 38 7.022 -35.427 0.131 1.00 3.43 C ATOM 544 CG2 VAL A 38 7.766 -37.286 -1.374 1.00 1.41 C ATOM 0 H VAL A 38 10.776 -37.223 0.614 1.00 74.10 H new ATOM 0 HA VAL A 38 9.525 -35.272 -1.191 1.00 24.24 H new ATOM 0 HB VAL A 38 8.106 -37.160 0.726 1.00 73.50 H new ATOM 0 HG11 VAL A 38 6.049 -35.910 0.218 1.00 3.43 H new ATOM 0 HG12 VAL A 38 7.248 -34.897 1.056 1.00 3.43 H new ATOM 0 HG13 VAL A 38 7.003 -34.719 -0.697 1.00 3.43 H new ATOM 0 HG21 VAL A 38 6.782 -37.743 -1.267 1.00 1.41 H new ATOM 0 HG22 VAL A 38 7.768 -36.628 -2.243 1.00 1.41 H new ATOM 0 HG23 VAL A 38 8.515 -38.066 -1.508 1.00 1.41 H new ATOM 554 N LEU A 39 9.547 -33.567 0.631 1.00 15.30 N ATOM 555 CA LEU A 39 9.714 -32.541 1.654 1.00 14.44 C ATOM 556 C LEU A 39 8.566 -32.580 2.658 1.00 74.21 C ATOM 557 O LEU A 39 7.398 -32.684 2.278 1.00 3.44 O ATOM 558 CB LEU A 39 9.794 -31.156 1.008 1.00 32.33 C ATOM 559 CG LEU A 39 10.961 -30.274 1.454 1.00 73.33 C ATOM 560 CD1 LEU A 39 10.854 -28.892 0.828 1.00 63.30 C ATOM 561 CD2 LEU A 39 11.003 -30.173 2.971 1.00 4.34 C ATOM 0 H LEU A 39 9.325 -33.205 -0.296 1.00 15.30 H new ATOM 0 HA LEU A 39 10.644 -32.742 2.185 1.00 14.44 H new ATOM 0 HB2 LEU A 39 9.854 -31.284 -0.073 1.00 32.33 H new ATOM 0 HB3 LEU A 39 8.864 -30.626 1.215 1.00 32.33 H new ATOM 0 HG LEU A 39 11.890 -30.733 1.115 1.00 73.33 H new ATOM 0 HD11 LEU A 39 11.693 -28.278 1.156 1.00 63.30 H new ATOM 0 HD12 LEU A 39 10.874 -28.982 -0.258 1.00 63.30 H new ATOM 0 HD13 LEU A 39 9.919 -28.424 1.136 1.00 63.30 H new ATOM 0 HD21 LEU A 39 11.840 -29.542 3.271 1.00 4.34 H new ATOM 0 HD22 LEU A 39 10.072 -29.737 3.333 1.00 4.34 H new ATOM 0 HD23 LEU A 39 11.128 -31.168 3.399 1.00 4.34 H new ATOM 573 N LEU A 40 8.904 -32.495 3.940 1.00 60.34 N ATOM 574 CA LEU A 40 7.901 -32.519 4.999 1.00 63.11 C ATOM 575 C LEU A 40 6.781 -31.525 4.710 1.00 32.25 C ATOM 576 O LEU A 40 5.602 -31.834 4.887 1.00 64.51 O ATOM 577 CB LEU A 40 8.548 -32.199 6.348 1.00 51.33 C ATOM 578 CG LEU A 40 7.702 -32.499 7.586 1.00 41.43 C ATOM 579 CD1 LEU A 40 6.598 -31.464 7.741 1.00 23.14 C ATOM 580 CD2 LEU A 40 7.115 -33.900 7.504 1.00 55.14 C ATOM 0 H LEU A 40 9.865 -32.409 4.271 1.00 60.34 H new ATOM 0 HA LEU A 40 7.472 -33.520 5.037 1.00 63.11 H new ATOM 0 HB2 LEU A 40 9.479 -32.760 6.424 1.00 51.33 H new ATOM 0 HB3 LEU A 40 8.812 -31.141 6.360 1.00 51.33 H new ATOM 0 HG LEU A 40 8.346 -32.448 8.464 1.00 41.43 H new ATOM 0 HD11 LEU A 40 6.006 -31.693 8.627 1.00 23.14 H new ATOM 0 HD12 LEU A 40 7.040 -30.473 7.846 1.00 23.14 H new ATOM 0 HD13 LEU A 40 5.956 -31.483 6.861 1.00 23.14 H new ATOM 0 HD21 LEU A 40 6.516 -34.096 8.393 1.00 55.14 H new ATOM 0 HD22 LEU A 40 6.485 -33.979 6.618 1.00 55.14 H new ATOM 0 HD23 LEU A 40 7.922 -34.630 7.442 1.00 55.14 H new ATOM 592 N SER A 41 7.156 -30.331 4.264 1.00 44.02 N ATOM 593 CA SER A 41 6.183 -29.291 3.952 1.00 3.30 C ATOM 594 C SER A 41 5.122 -29.811 2.987 1.00 44.10 C ATOM 595 O SER A 41 3.950 -29.446 3.078 1.00 34.25 O ATOM 596 CB SER A 41 6.884 -28.072 3.349 1.00 50.33 C ATOM 597 OG SER A 41 7.774 -27.482 4.281 1.00 54.23 O ATOM 0 H SER A 41 8.127 -30.059 4.110 1.00 44.02 H new ATOM 0 HA SER A 41 5.692 -28.997 4.880 1.00 3.30 H new ATOM 0 HB2 SER A 41 7.433 -28.369 2.455 1.00 50.33 H new ATOM 0 HB3 SER A 41 6.141 -27.339 3.037 1.00 50.33 H new ATOM 0 HG SER A 41 8.210 -26.706 3.871 1.00 54.23 H new ATOM 603 N THR A 42 5.543 -30.667 2.060 1.00 13.34 N ATOM 604 CA THR A 42 4.631 -31.237 1.077 1.00 71.20 C ATOM 605 C THR A 42 3.677 -32.234 1.725 1.00 62.41 C ATOM 606 O THR A 42 2.513 -32.336 1.339 1.00 15.30 O ATOM 607 CB THR A 42 5.398 -31.941 -0.058 1.00 52.15 C ATOM 608 OG1 THR A 42 6.392 -31.062 -0.596 1.00 42.01 O ATOM 609 CG2 THR A 42 4.448 -32.377 -1.164 1.00 0.11 C ATOM 0 H THR A 42 6.510 -30.980 1.970 1.00 13.34 H new ATOM 0 HA THR A 42 4.058 -30.409 0.660 1.00 71.20 H new ATOM 0 HB THR A 42 5.881 -32.827 0.355 1.00 52.15 H new ATOM 0 HG1 THR A 42 6.876 -31.518 -1.316 1.00 42.01 H new ATOM 0 HG21 THR A 42 5.012 -32.872 -1.954 1.00 0.11 H new ATOM 0 HG22 THR A 42 3.710 -33.069 -0.758 1.00 0.11 H new ATOM 0 HG23 THR A 42 3.940 -31.503 -1.573 1.00 0.11 H new ATOM 617 N VAL A 43 4.178 -32.969 2.713 1.00 62.43 N ATOM 618 CA VAL A 43 3.370 -33.958 3.416 1.00 74.11 C ATOM 619 C VAL A 43 2.256 -33.290 4.215 1.00 44.22 C ATOM 620 O VAL A 43 1.132 -33.789 4.273 1.00 50.14 O ATOM 621 CB VAL A 43 4.229 -34.811 4.368 1.00 72.31 C ATOM 622 CG1 VAL A 43 3.366 -35.428 5.458 1.00 72.31 C ATOM 623 CG2 VAL A 43 4.973 -35.888 3.593 1.00 44.34 C ATOM 0 H VAL A 43 5.140 -32.898 3.045 1.00 62.43 H new ATOM 0 HA VAL A 43 2.931 -34.605 2.657 1.00 74.11 H new ATOM 0 HB VAL A 43 4.965 -34.163 4.844 1.00 72.31 H new ATOM 0 HG11 VAL A 43 3.990 -36.027 6.121 1.00 72.31 H new ATOM 0 HG12 VAL A 43 2.883 -34.637 6.031 1.00 72.31 H new ATOM 0 HG13 VAL A 43 2.605 -36.063 5.004 1.00 72.31 H new ATOM 0 HG21 VAL A 43 5.575 -36.481 4.281 1.00 44.34 H new ATOM 0 HG22 VAL A 43 4.255 -36.535 3.089 1.00 44.34 H new ATOM 0 HG23 VAL A 43 5.623 -35.421 2.853 1.00 44.34 H new ATOM 633 N THR A 44 2.576 -32.156 4.831 1.00 41.11 N ATOM 634 CA THR A 44 1.604 -31.418 5.628 1.00 72.44 C ATOM 635 C THR A 44 0.556 -30.755 4.741 1.00 63.02 C ATOM 636 O THR A 44 -0.577 -30.532 5.164 1.00 14.41 O ATOM 637 CB THR A 44 2.286 -30.341 6.491 1.00 44.43 C ATOM 638 OG1 THR A 44 2.965 -29.399 5.652 1.00 1.22 O ATOM 639 CG2 THR A 44 3.276 -30.970 7.460 1.00 41.24 C ATOM 0 H THR A 44 3.501 -31.729 4.793 1.00 41.11 H new ATOM 0 HA THR A 44 1.117 -32.141 6.282 1.00 72.44 H new ATOM 0 HB THR A 44 1.516 -29.827 7.066 1.00 44.43 H new ATOM 0 HG1 THR A 44 3.038 -29.762 4.745 1.00 1.22 H new ATOM 0 HG21 THR A 44 3.745 -30.189 8.059 1.00 41.24 H new ATOM 0 HG22 THR A 44 2.752 -31.665 8.116 1.00 41.24 H new ATOM 0 HG23 THR A 44 4.042 -31.507 6.900 1.00 41.24 H new ATOM 647 N ALA A 45 0.943 -30.443 3.508 1.00 1.13 N ATOM 648 CA ALA A 45 0.036 -29.807 2.561 1.00 72.32 C ATOM 649 C ALA A 45 -1.300 -30.540 2.504 1.00 32.20 C ATOM 650 O ALA A 45 -2.361 -29.920 2.572 1.00 32.42 O ATOM 651 CB ALA A 45 0.669 -29.753 1.179 1.00 64.04 C ATOM 0 H ALA A 45 1.878 -30.621 3.142 1.00 1.13 H new ATOM 0 HA ALA A 45 -0.152 -28.789 2.903 1.00 72.32 H new ATOM 0 HB1 ALA A 45 -0.020 -29.276 0.482 1.00 64.04 H new ATOM 0 HB2 ALA A 45 1.595 -29.179 1.225 1.00 64.04 H new ATOM 0 HB3 ALA A 45 0.886 -30.765 0.838 1.00 64.04 H new ATOM 657 N GLN A 46 -1.240 -31.862 2.378 1.00 0.02 N ATOM 658 CA GLN A 46 -2.446 -32.678 2.311 1.00 73.23 C ATOM 659 C GLN A 46 -2.677 -33.419 3.624 1.00 2.50 C ATOM 660 O GLN A 46 -3.817 -33.630 4.037 1.00 30.25 O ATOM 661 CB GLN A 46 -2.347 -33.679 1.158 1.00 3.11 C ATOM 662 CG GLN A 46 -1.543 -33.165 -0.026 1.00 21.54 C ATOM 663 CD GLN A 46 -1.452 -34.176 -1.152 1.00 34.00 C ATOM 664 OE1 GLN A 46 -1.643 -33.839 -2.321 1.00 0.22 O ATOM 665 NE2 GLN A 46 -1.160 -35.424 -0.806 1.00 30.22 N ATOM 0 H GLN A 46 -0.369 -32.390 2.320 1.00 0.02 H new ATOM 0 HA GLN A 46 -3.293 -32.015 2.136 1.00 73.23 H new ATOM 0 HB2 GLN A 46 -1.891 -34.599 1.524 1.00 3.11 H new ATOM 0 HB3 GLN A 46 -3.352 -33.933 0.821 1.00 3.11 H new ATOM 0 HG2 GLN A 46 -2.000 -32.249 -0.401 1.00 21.54 H new ATOM 0 HG3 GLN A 46 -0.538 -32.906 0.307 1.00 21.54 H new ATOM 0 HE21 GLN A 46 -1.009 -35.659 0.175 1.00 30.22 H new ATOM 0 HE22 GLN A 46 -1.086 -36.148 -1.521 1.00 30.22 H new ATOM 674 N PHE A 47 -1.587 -33.810 4.276 1.00 60.53 N ATOM 675 CA PHE A 47 -1.670 -34.529 5.542 1.00 13.21 C ATOM 676 C PHE A 47 -1.050 -33.712 6.672 1.00 33.43 C ATOM 677 O PHE A 47 0.065 -33.975 7.122 1.00 44.20 O ATOM 678 CB PHE A 47 -0.968 -35.884 5.431 1.00 3.55 C ATOM 679 CG PHE A 47 -1.101 -36.519 4.077 1.00 21.11 C ATOM 680 CD1 PHE A 47 -2.340 -36.624 3.465 1.00 25.44 C ATOM 681 CD2 PHE A 47 0.013 -37.012 3.416 1.00 52.40 C ATOM 682 CE1 PHE A 47 -2.466 -37.208 2.219 1.00 65.41 C ATOM 683 CE2 PHE A 47 -0.107 -37.596 2.169 1.00 30.13 C ATOM 684 CZ PHE A 47 -1.348 -37.696 1.571 1.00 43.24 C ATOM 0 H PHE A 47 -0.636 -33.641 3.949 1.00 60.53 H new ATOM 0 HA PHE A 47 -2.723 -34.692 5.771 1.00 13.21 H new ATOM 0 HB2 PHE A 47 0.090 -35.756 5.661 1.00 3.55 H new ATOM 0 HB3 PHE A 47 -1.378 -36.559 6.182 1.00 3.55 H new ATOM 0 HD1 PHE A 47 -3.217 -36.245 3.968 1.00 25.44 H new ATOM 0 HD2 PHE A 47 0.985 -36.939 3.880 1.00 52.40 H new ATOM 0 HE1 PHE A 47 -3.437 -37.283 1.753 1.00 65.41 H new ATOM 0 HE2 PHE A 47 0.769 -37.974 1.663 1.00 30.13 H new ATOM 0 HZ PHE A 47 -1.444 -38.155 0.598 1.00 43.24 H new ATOM 694 N PRO A 48 -1.790 -32.697 7.143 1.00 61.13 N ATOM 695 CA PRO A 48 -1.334 -31.821 8.226 1.00 61.01 C ATOM 696 C PRO A 48 -1.286 -32.538 9.571 1.00 72.43 C ATOM 697 O PRO A 48 -2.251 -33.185 9.975 1.00 75.44 O ATOM 698 CB PRO A 48 -2.386 -30.709 8.250 1.00 60.51 C ATOM 699 CG PRO A 48 -3.610 -31.334 7.676 1.00 74.42 C ATOM 700 CD PRO A 48 -3.129 -32.327 6.654 1.00 44.31 C ATOM 0 HA PRO A 48 -0.318 -31.462 8.059 1.00 61.01 H new ATOM 0 HB2 PRO A 48 -2.562 -30.352 9.265 1.00 60.51 H new ATOM 0 HB3 PRO A 48 -2.067 -29.849 7.661 1.00 60.51 H new ATOM 0 HG2 PRO A 48 -4.197 -31.826 8.452 1.00 74.42 H new ATOM 0 HG3 PRO A 48 -4.253 -30.583 7.217 1.00 74.42 H new ATOM 0 HD2 PRO A 48 -3.788 -33.193 6.593 1.00 44.31 H new ATOM 0 HD3 PRO A 48 -3.086 -31.889 5.657 1.00 44.31 H new ATOM 708 N GLY A 49 -0.156 -32.419 10.261 1.00 42.24 N ATOM 709 CA GLY A 49 -0.004 -33.061 11.553 1.00 71.20 C ATOM 710 C GLY A 49 0.617 -34.440 11.446 1.00 45.51 C ATOM 711 O GLY A 49 1.270 -34.907 12.378 1.00 25.42 O ATOM 0 H GLY A 49 0.657 -31.889 9.948 1.00 42.24 H new ATOM 0 HA2 GLY A 49 0.616 -32.436 12.195 1.00 71.20 H new ATOM 0 HA3 GLY A 49 -0.980 -33.141 12.032 1.00 71.20 H new ATOM 715 N ALA A 50 0.413 -35.092 10.306 1.00 30.35 N ATOM 716 CA ALA A 50 0.958 -36.425 10.081 1.00 25.11 C ATOM 717 C ALA A 50 2.458 -36.458 10.355 1.00 42.11 C ATOM 718 O ALA A 50 3.245 -35.851 9.627 1.00 21.02 O ATOM 719 CB ALA A 50 0.670 -36.880 8.658 1.00 13.21 C ATOM 0 H ALA A 50 -0.126 -34.719 9.524 1.00 30.35 H new ATOM 0 HA ALA A 50 0.473 -37.111 10.775 1.00 25.11 H new ATOM 0 HB1 ALA A 50 1.083 -37.877 8.504 1.00 13.21 H new ATOM 0 HB2 ALA A 50 -0.407 -36.904 8.495 1.00 13.21 H new ATOM 0 HB3 ALA A 50 1.128 -36.185 7.954 1.00 13.21 H new ATOM 725 N CYS A 51 2.847 -37.169 11.407 1.00 1.45 N ATOM 726 CA CYS A 51 4.254 -37.279 11.778 1.00 34.02 C ATOM 727 C CYS A 51 4.946 -38.369 10.966 1.00 10.31 C ATOM 728 O CYS A 51 6.121 -38.249 10.623 1.00 63.23 O ATOM 729 CB CYS A 51 4.387 -37.577 13.272 1.00 32.13 C ATOM 730 SG CYS A 51 6.028 -37.236 13.950 1.00 41.34 S ATOM 0 H CYS A 51 2.209 -37.678 12.018 1.00 1.45 H new ATOM 0 HA CYS A 51 4.738 -36.327 11.561 1.00 34.02 H new ATOM 0 HB2 CYS A 51 3.651 -36.986 13.816 1.00 32.13 H new ATOM 0 HB3 CYS A 51 4.145 -38.626 13.445 1.00 32.13 H new ATOM 0 HG CYS A 51 6.040 -37.517 15.219 1.00 41.34 H new ATOM 736 N GLY A 52 4.209 -39.433 10.663 1.00 14.04 N ATOM 737 CA GLY A 52 4.769 -40.530 9.896 1.00 50.43 C ATOM 738 C GLY A 52 3.736 -41.213 9.021 1.00 1.44 C ATOM 739 O GLY A 52 2.557 -41.272 9.372 1.00 73.41 O ATOM 0 H GLY A 52 3.234 -39.555 10.935 1.00 14.04 H new ATOM 0 HA2 GLY A 52 5.580 -40.156 9.271 1.00 50.43 H new ATOM 0 HA3 GLY A 52 5.204 -41.261 10.578 1.00 50.43 H new ATOM 743 N LEU A 53 4.178 -41.728 7.879 1.00 13.24 N ATOM 744 CA LEU A 53 3.282 -42.409 6.951 1.00 65.05 C ATOM 745 C LEU A 53 3.641 -43.887 6.834 1.00 41.05 C ATOM 746 O LEU A 53 4.816 -44.254 6.847 1.00 2.34 O ATOM 747 CB LEU A 53 3.345 -41.747 5.573 1.00 12.21 C ATOM 748 CG LEU A 53 3.304 -40.218 5.561 1.00 72.33 C ATOM 749 CD1 LEU A 53 2.336 -39.702 6.614 1.00 52.22 C ATOM 750 CD2 LEU A 53 4.695 -39.646 5.786 1.00 5.41 C ATOM 0 H LEU A 53 5.150 -41.687 7.574 1.00 13.24 H new ATOM 0 HA LEU A 53 2.267 -42.330 7.340 1.00 65.05 H new ATOM 0 HB2 LEU A 53 4.261 -42.070 5.078 1.00 12.21 H new ATOM 0 HB3 LEU A 53 2.512 -42.118 4.975 1.00 12.21 H new ATOM 0 HG LEU A 53 2.952 -39.890 4.583 1.00 72.33 H new ATOM 0 HD11 LEU A 53 2.320 -38.612 6.591 1.00 52.22 H new ATOM 0 HD12 LEU A 53 1.336 -40.084 6.408 1.00 52.22 H new ATOM 0 HD13 LEU A 53 2.657 -40.039 7.600 1.00 52.22 H new ATOM 0 HD21 LEU A 53 4.647 -38.557 5.774 1.00 5.41 H new ATOM 0 HD22 LEU A 53 5.075 -39.982 6.751 1.00 5.41 H new ATOM 0 HD23 LEU A 53 5.362 -39.988 4.994 1.00 5.41 H new ATOM 762 N ARG A 54 2.621 -44.731 6.716 1.00 11.43 N ATOM 763 CA ARG A 54 2.829 -46.169 6.596 1.00 54.44 C ATOM 764 C ARG A 54 2.568 -46.637 5.167 1.00 25.50 C ATOM 765 O ARG A 54 1.990 -45.910 4.360 1.00 51.23 O ATOM 766 CB ARG A 54 1.915 -46.921 7.565 1.00 53.51 C ATOM 767 CG ARG A 54 2.609 -48.055 8.300 1.00 31.24 C ATOM 768 CD ARG A 54 1.665 -49.222 8.542 1.00 34.34 C ATOM 769 NE ARG A 54 1.139 -49.228 9.905 1.00 1.30 N ATOM 770 CZ ARG A 54 0.466 -50.246 10.429 1.00 55.31 C ATOM 771 NH1 ARG A 54 0.237 -51.335 9.708 1.00 2.11 N ATOM 772 NH2 ARG A 54 0.019 -50.176 11.677 1.00 43.35 N ATOM 0 H ARG A 54 1.642 -44.444 6.701 1.00 11.43 H new ATOM 0 HA ARG A 54 3.868 -46.383 6.847 1.00 54.44 H new ATOM 0 HB2 ARG A 54 1.516 -46.217 8.295 1.00 53.51 H new ATOM 0 HB3 ARG A 54 1.066 -47.323 7.012 1.00 53.51 H new ATOM 0 HG2 ARG A 54 3.467 -48.394 7.720 1.00 31.24 H new ATOM 0 HG3 ARG A 54 2.992 -47.691 9.254 1.00 31.24 H new ATOM 0 HD2 ARG A 54 0.837 -49.171 7.834 1.00 34.34 H new ATOM 0 HD3 ARG A 54 2.190 -50.158 8.352 1.00 34.34 H new ATOM 0 HE ARG A 54 1.297 -48.405 10.486 1.00 1.30 H new ATOM 0 HH11 ARG A 54 0.578 -51.392 8.748 1.00 2.11 H new ATOM 0 HH12 ARG A 54 -0.280 -52.115 10.113 1.00 2.11 H new ATOM 0 HH21 ARG A 54 0.192 -49.340 12.235 1.00 43.35 H new ATOM 0 HH22 ARG A 54 -0.498 -50.959 12.078 1.00 43.35 H new ATOM 786 N TYR A 55 3.000 -47.856 4.862 1.00 31.22 N ATOM 787 CA TYR A 55 2.817 -48.421 3.531 1.00 74.14 C ATOM 788 C TYR A 55 1.693 -49.453 3.527 1.00 54.24 C ATOM 789 O TYR A 55 1.667 -50.363 4.355 1.00 25.10 O ATOM 790 CB TYR A 55 4.116 -49.064 3.043 1.00 30.32 C ATOM 791 CG TYR A 55 4.711 -48.384 1.831 1.00 0.32 C ATOM 792 CD1 TYR A 55 4.010 -48.318 0.633 1.00 23.31 C ATOM 793 CD2 TYR A 55 5.974 -47.807 1.884 1.00 71.13 C ATOM 794 CE1 TYR A 55 4.550 -47.698 -0.477 1.00 60.22 C ATOM 795 CE2 TYR A 55 6.521 -47.184 0.779 1.00 51.30 C ATOM 796 CZ TYR A 55 5.805 -47.132 -0.399 1.00 43.01 C ATOM 797 OH TYR A 55 6.347 -46.513 -1.502 1.00 63.12 O ATOM 0 H TYR A 55 3.479 -48.472 5.519 1.00 31.22 H new ATOM 0 HA TYR A 55 2.545 -47.611 2.855 1.00 74.14 H new ATOM 0 HB2 TYR A 55 4.846 -49.048 3.853 1.00 30.32 H new ATOM 0 HB3 TYR A 55 3.926 -50.111 2.805 1.00 30.32 H new ATOM 0 HD1 TYR A 55 3.026 -48.759 0.569 1.00 23.31 H new ATOM 0 HD2 TYR A 55 6.537 -47.846 2.805 1.00 71.13 H new ATOM 0 HE1 TYR A 55 3.992 -47.657 -1.401 1.00 60.22 H new ATOM 0 HE2 TYR A 55 7.504 -46.740 0.837 1.00 51.30 H new ATOM 0 HH TYR A 55 5.635 -46.303 -2.142 1.00 63.12 H new ATOM 807 N ARG A 56 0.765 -49.303 2.587 1.00 34.31 N ATOM 808 CA ARG A 56 -0.363 -50.221 2.474 1.00 1.31 C ATOM 809 C ARG A 56 -0.505 -50.733 1.044 1.00 73.40 C ATOM 810 O ARG A 56 -1.085 -50.065 0.189 1.00 2.23 O ATOM 811 CB ARG A 56 -1.656 -49.529 2.911 1.00 60.54 C ATOM 812 CG ARG A 56 -2.915 -50.244 2.447 1.00 21.13 C ATOM 813 CD ARG A 56 -2.897 -51.714 2.838 1.00 12.44 C ATOM 814 NE ARG A 56 -4.096 -52.415 2.386 1.00 2.23 N ATOM 815 CZ ARG A 56 -4.420 -53.642 2.777 1.00 75.23 C ATOM 816 NH1 ARG A 56 -3.640 -54.300 3.623 1.00 72.52 N ATOM 817 NH2 ARG A 56 -5.528 -54.214 2.321 1.00 10.41 N ATOM 0 H ARG A 56 0.772 -48.555 1.893 1.00 34.31 H new ATOM 0 HA ARG A 56 -0.175 -51.072 3.129 1.00 1.31 H new ATOM 0 HB2 ARG A 56 -1.670 -49.456 3.998 1.00 60.54 H new ATOM 0 HB3 ARG A 56 -1.662 -48.511 2.523 1.00 60.54 H new ATOM 0 HG2 ARG A 56 -3.790 -49.761 2.882 1.00 21.13 H new ATOM 0 HG3 ARG A 56 -3.007 -50.155 1.365 1.00 21.13 H new ATOM 0 HD2 ARG A 56 -2.015 -52.192 2.411 1.00 12.44 H new ATOM 0 HD3 ARG A 56 -2.813 -51.800 3.921 1.00 12.44 H new ATOM 0 HE ARG A 56 -4.718 -51.936 1.735 1.00 2.23 H new ATOM 0 HH11 ARG A 56 -2.788 -53.864 3.976 1.00 72.52 H new ATOM 0 HH12 ARG A 56 -3.892 -55.242 3.921 1.00 72.52 H new ATOM 0 HH21 ARG A 56 -6.131 -53.711 1.670 1.00 10.41 H new ATOM 0 HH22 ARG A 56 -5.776 -55.157 2.622 1.00 10.41 H new ATOM 831 N ASN A 57 0.028 -51.924 0.792 1.00 62.40 N ATOM 832 CA ASN A 57 -0.038 -52.526 -0.535 1.00 35.43 C ATOM 833 C ASN A 57 -0.972 -53.733 -0.538 1.00 60.22 C ATOM 834 O ASN A 57 -0.699 -54.762 0.080 1.00 32.14 O ATOM 835 CB ASN A 57 1.358 -52.947 -0.998 1.00 0.53 C ATOM 836 CG ASN A 57 2.194 -51.767 -1.457 1.00 20.44 C ATOM 837 OD1 ASN A 57 2.374 -50.797 -0.721 1.00 43.54 O ATOM 838 ND2 ASN A 57 2.709 -51.847 -2.678 1.00 71.20 N ATOM 0 H ASN A 57 0.510 -52.491 1.489 1.00 62.40 H new ATOM 0 HA ASN A 57 -0.433 -51.781 -1.225 1.00 35.43 H new ATOM 0 HB2 ASN A 57 1.870 -53.457 -0.182 1.00 0.53 H new ATOM 0 HB3 ASN A 57 1.267 -53.664 -1.814 1.00 0.53 H new ATOM 0 HD21 ASN A 57 3.281 -51.084 -3.041 1.00 71.20 H new ATOM 0 HD22 ASN A 57 2.533 -52.671 -3.253 1.00 71.20 H new ATOM 962 N VAL A 66 6.930 -46.019 4.858 1.00 34.52 N ATOM 963 CA VAL A 66 7.638 -44.853 4.345 1.00 72.14 C ATOM 964 C VAL A 66 8.665 -44.347 5.351 1.00 43.13 C ATOM 965 O VAL A 66 8.325 -44.012 6.485 1.00 1.05 O ATOM 966 CB VAL A 66 6.663 -43.710 4.003 1.00 24.23 C ATOM 967 CG1 VAL A 66 7.427 -42.468 3.570 1.00 25.32 C ATOM 968 CG2 VAL A 66 5.686 -44.149 2.923 1.00 10.52 C ATOM 0 HA VAL A 66 8.150 -45.168 3.436 1.00 72.14 H new ATOM 0 HB VAL A 66 6.092 -43.462 4.898 1.00 24.23 H new ATOM 0 HG11 VAL A 66 6.722 -41.671 3.332 1.00 25.32 H new ATOM 0 HG12 VAL A 66 8.082 -42.144 4.378 1.00 25.32 H new ATOM 0 HG13 VAL A 66 8.025 -42.698 2.688 1.00 25.32 H new ATOM 0 HG21 VAL A 66 5.005 -43.330 2.694 1.00 10.52 H new ATOM 0 HG22 VAL A 66 6.237 -44.425 2.024 1.00 10.52 H new ATOM 0 HG23 VAL A 66 5.115 -45.008 3.276 1.00 10.52 H new ATOM 978 N ARG A 67 9.924 -44.293 4.927 1.00 73.41 N ATOM 979 CA ARG A 67 11.002 -43.829 5.791 1.00 11.52 C ATOM 980 C ARG A 67 10.933 -42.316 5.980 1.00 2.13 C ATOM 981 O ARG A 67 10.624 -41.576 5.045 1.00 11.03 O ATOM 982 CB ARG A 67 12.359 -44.219 5.204 1.00 44.33 C ATOM 983 CG ARG A 67 13.541 -43.635 5.961 1.00 41.34 C ATOM 984 CD ARG A 67 13.644 -44.211 7.364 1.00 34.01 C ATOM 985 NE ARG A 67 14.005 -43.194 8.348 1.00 21.42 N ATOM 986 CZ ARG A 67 14.511 -43.476 9.544 1.00 40.12 C ATOM 987 NH1 ARG A 67 14.714 -44.736 9.901 1.00 25.41 N ATOM 988 NH2 ARG A 67 14.815 -42.495 10.385 1.00 60.45 N ATOM 0 H ARG A 67 10.222 -44.565 3.990 1.00 73.41 H new ATOM 0 HA ARG A 67 10.885 -44.306 6.764 1.00 11.52 H new ATOM 0 HB2 ARG A 67 12.444 -45.306 5.197 1.00 44.33 H new ATOM 0 HB3 ARG A 67 12.405 -43.889 4.166 1.00 44.33 H new ATOM 0 HG2 ARG A 67 14.461 -43.840 5.414 1.00 41.34 H new ATOM 0 HG3 ARG A 67 13.438 -42.551 6.018 1.00 41.34 H new ATOM 0 HD2 ARG A 67 12.691 -44.662 7.642 1.00 34.01 H new ATOM 0 HD3 ARG A 67 14.389 -45.007 7.375 1.00 34.01 H new ATOM 0 HE ARG A 67 13.861 -42.214 8.104 1.00 21.42 H new ATOM 0 HH11 ARG A 67 14.482 -45.492 9.257 1.00 25.41 H new ATOM 0 HH12 ARG A 67 15.103 -44.950 10.820 1.00 25.41 H new ATOM 0 HH21 ARG A 67 14.660 -41.524 10.113 1.00 60.45 H new ATOM 0 HH22 ARG A 67 15.203 -42.712 11.303 1.00 60.45 H new ATOM 1002 N LEU A 68 11.223 -41.863 7.195 1.00 32.21 N ATOM 1003 CA LEU A 68 11.194 -40.439 7.508 1.00 53.53 C ATOM 1004 C LEU A 68 12.484 -40.006 8.197 1.00 51.34 C ATOM 1005 O LEU A 68 12.816 -40.492 9.278 1.00 63.15 O ATOM 1006 CB LEU A 68 9.993 -40.116 8.399 1.00 22.43 C ATOM 1007 CG LEU A 68 9.905 -38.679 8.913 1.00 51.35 C ATOM 1008 CD1 LEU A 68 10.732 -38.512 10.178 1.00 52.10 C ATOM 1009 CD2 LEU A 68 10.364 -37.701 7.841 1.00 54.33 C ATOM 0 H LEU A 68 11.481 -42.462 7.979 1.00 32.21 H new ATOM 0 HA LEU A 68 11.102 -39.889 6.572 1.00 53.53 H new ATOM 0 HB2 LEU A 68 9.083 -40.338 7.842 1.00 22.43 H new ATOM 0 HB3 LEU A 68 10.012 -40.787 9.258 1.00 22.43 H new ATOM 0 HG LEU A 68 8.864 -38.463 9.154 1.00 51.35 H new ATOM 0 HD11 LEU A 68 10.657 -37.483 10.529 1.00 52.10 H new ATOM 0 HD12 LEU A 68 10.358 -39.186 10.949 1.00 52.10 H new ATOM 0 HD13 LEU A 68 11.775 -38.747 9.965 1.00 52.10 H new ATOM 0 HD21 LEU A 68 10.295 -36.683 8.224 1.00 54.33 H new ATOM 0 HD22 LEU A 68 11.397 -37.917 7.570 1.00 54.33 H new ATOM 0 HD23 LEU A 68 9.729 -37.802 6.961 1.00 54.33 H new ATOM 1021 N VAL A 69 13.207 -39.087 7.564 1.00 13.43 N ATOM 1022 CA VAL A 69 14.459 -38.585 8.118 1.00 60.13 C ATOM 1023 C VAL A 69 14.554 -37.070 7.977 1.00 64.11 C ATOM 1024 O VAL A 69 14.535 -36.538 6.868 1.00 71.15 O ATOM 1025 CB VAL A 69 15.676 -39.231 7.429 1.00 74.42 C ATOM 1026 CG1 VAL A 69 15.546 -39.137 5.916 1.00 14.22 C ATOM 1027 CG2 VAL A 69 16.965 -38.578 7.903 1.00 21.42 C ATOM 0 H VAL A 69 12.947 -38.675 6.668 1.00 13.43 H new ATOM 0 HA VAL A 69 14.466 -38.850 9.175 1.00 60.13 H new ATOM 0 HB VAL A 69 15.708 -40.286 7.702 1.00 74.42 H new ATOM 0 HG11 VAL A 69 16.415 -39.599 5.447 1.00 14.22 H new ATOM 0 HG12 VAL A 69 14.642 -39.655 5.596 1.00 14.22 H new ATOM 0 HG13 VAL A 69 15.488 -38.090 5.620 1.00 14.22 H new ATOM 0 HG21 VAL A 69 17.814 -39.047 7.406 1.00 21.42 H new ATOM 0 HG22 VAL A 69 16.945 -37.515 7.662 1.00 21.42 H new ATOM 0 HG23 VAL A 69 17.061 -38.703 8.981 1.00 21.42 H new ATOM 1037 N GLU A 70 14.658 -36.381 9.109 1.00 22.31 N ATOM 1038 CA GLU A 70 14.756 -34.926 9.111 1.00 25.52 C ATOM 1039 C GLU A 70 13.511 -34.296 8.495 1.00 71.21 C ATOM 1040 O GLU A 70 13.567 -33.200 7.939 1.00 14.25 O ATOM 1041 CB GLU A 70 16.002 -34.476 8.345 1.00 72.14 C ATOM 1042 CG GLU A 70 17.258 -35.245 8.718 1.00 33.51 C ATOM 1043 CD GLU A 70 18.437 -34.335 9.001 1.00 61.24 C ATOM 1044 OE1 GLU A 70 18.806 -34.194 10.185 1.00 25.34 O ATOM 1045 OE2 GLU A 70 18.990 -33.764 8.038 1.00 44.10 O ATOM 0 H GLU A 70 14.677 -36.807 10.036 1.00 22.31 H new ATOM 0 HA GLU A 70 14.835 -34.594 10.146 1.00 25.52 H new ATOM 0 HB2 GLU A 70 15.821 -34.589 7.276 1.00 72.14 H new ATOM 0 HB3 GLU A 70 16.168 -33.415 8.530 1.00 72.14 H new ATOM 0 HG2 GLU A 70 17.057 -35.857 9.597 1.00 33.51 H new ATOM 0 HG3 GLU A 70 17.516 -35.927 7.908 1.00 33.51 H new ATOM 1052 N GLY A 71 12.387 -34.999 8.597 1.00 13.11 N ATOM 1053 CA GLY A 71 11.143 -34.494 8.045 1.00 3.41 C ATOM 1054 C GLY A 71 10.933 -34.919 6.605 1.00 12.05 C ATOM 1055 O GLY A 71 9.797 -35.019 6.141 1.00 71.32 O ATOM 0 H GLY A 71 12.316 -35.909 9.052 1.00 13.11 H new ATOM 0 HA2 GLY A 71 10.309 -34.850 8.651 1.00 3.41 H new ATOM 0 HA3 GLY A 71 11.138 -33.406 8.104 1.00 3.41 H new ATOM 1059 N ILE A 72 12.029 -35.168 5.897 1.00 3.15 N ATOM 1060 CA ILE A 72 11.959 -35.584 4.502 1.00 1.13 C ATOM 1061 C ILE A 72 11.607 -37.063 4.387 1.00 61.13 C ATOM 1062 O ILE A 72 12.393 -37.931 4.769 1.00 33.42 O ATOM 1063 CB ILE A 72 13.289 -35.326 3.770 1.00 2.41 C ATOM 1064 CG1 ILE A 72 13.644 -33.838 3.822 1.00 63.24 C ATOM 1065 CG2 ILE A 72 13.202 -35.805 2.329 1.00 24.40 C ATOM 1066 CD1 ILE A 72 14.955 -33.554 4.521 1.00 10.22 C ATOM 0 H ILE A 72 12.976 -35.089 6.267 1.00 3.15 H new ATOM 0 HA ILE A 72 11.175 -34.989 4.034 1.00 1.13 H new ATOM 0 HB ILE A 72 14.078 -35.887 4.272 1.00 2.41 H new ATOM 0 HG12 ILE A 72 13.692 -33.448 2.805 1.00 63.24 H new ATOM 0 HG13 ILE A 72 12.845 -33.300 4.332 1.00 63.24 H new ATOM 0 HG21 ILE A 72 14.150 -35.616 1.825 1.00 24.40 H new ATOM 0 HG22 ILE A 72 12.990 -36.874 2.313 1.00 24.40 H new ATOM 0 HG23 ILE A 72 12.404 -35.269 1.815 1.00 24.40 H new ATOM 0 HD11 ILE A 72 15.142 -32.480 4.520 1.00 10.22 H new ATOM 0 HD12 ILE A 72 14.904 -33.913 5.549 1.00 10.22 H new ATOM 0 HD13 ILE A 72 15.764 -34.064 3.998 1.00 10.22 H new ATOM 1078 N LEU A 73 10.422 -37.344 3.855 1.00 3.25 N ATOM 1079 CA LEU A 73 9.966 -38.719 3.687 1.00 72.11 C ATOM 1080 C LEU A 73 10.721 -39.409 2.555 1.00 53.51 C ATOM 1081 O LEU A 73 10.548 -39.071 1.383 1.00 34.13 O ATOM 1082 CB LEU A 73 8.463 -38.747 3.404 1.00 33.33 C ATOM 1083 CG LEU A 73 7.550 -38.478 4.601 1.00 74.11 C ATOM 1084 CD1 LEU A 73 7.843 -39.458 5.727 1.00 55.51 C ATOM 1085 CD2 LEU A 73 7.712 -37.044 5.083 1.00 14.04 C ATOM 0 H LEU A 73 9.760 -36.638 3.533 1.00 3.25 H new ATOM 0 HA LEU A 73 10.166 -39.258 4.613 1.00 72.11 H new ATOM 0 HB2 LEU A 73 8.245 -38.008 2.633 1.00 33.33 H new ATOM 0 HB3 LEU A 73 8.209 -39.723 2.991 1.00 33.33 H new ATOM 0 HG LEU A 73 6.517 -38.619 4.285 1.00 74.11 H new ATOM 0 HD11 LEU A 73 7.184 -39.251 6.570 1.00 55.51 H new ATOM 0 HD12 LEU A 73 7.675 -40.476 5.376 1.00 55.51 H new ATOM 0 HD13 LEU A 73 8.881 -39.350 6.043 1.00 55.51 H new ATOM 0 HD21 LEU A 73 7.055 -36.870 5.935 1.00 14.04 H new ATOM 0 HD22 LEU A 73 8.747 -36.875 5.382 1.00 14.04 H new ATOM 0 HD23 LEU A 73 7.451 -36.358 4.277 1.00 14.04 H new ATOM 1097 N HIS A 74 11.557 -40.378 2.912 1.00 2.35 N ATOM 1098 CA HIS A 74 12.337 -41.117 1.926 1.00 32.31 C ATOM 1099 C HIS A 74 11.504 -42.232 1.300 1.00 11.12 C ATOM 1100 O HIS A 74 10.618 -42.794 1.944 1.00 62.14 O ATOM 1101 CB HIS A 74 13.592 -41.704 2.573 1.00 73.32 C ATOM 1102 CG HIS A 74 14.849 -41.414 1.812 1.00 20.14 C ATOM 1103 ND1 HIS A 74 15.040 -41.794 0.501 1.00 60.52 N ATOM 1104 CD2 HIS A 74 15.982 -40.775 2.186 1.00 41.20 C ATOM 1105 CE1 HIS A 74 16.237 -41.403 0.101 1.00 31.31 C ATOM 1106 NE2 HIS A 74 16.829 -40.782 1.105 1.00 52.51 N ATOM 0 H HIS A 74 11.712 -40.670 3.877 1.00 2.35 H new ATOM 0 HA HIS A 74 12.634 -40.423 1.139 1.00 32.31 H new ATOM 0 HB2 HIS A 74 13.689 -41.308 3.584 1.00 73.32 H new ATOM 0 HB3 HIS A 74 13.473 -42.784 2.664 1.00 73.32 H new ATOM 0 HD2 HIS A 74 16.183 -40.341 3.154 1.00 41.20 H new ATOM 0 HE1 HIS A 74 16.659 -41.564 -0.880 1.00 31.31 H new ATOM 0 HE2 HIS A 74 17.763 -40.374 1.081 1.00 52.51 H new ATOM 1114 N ALA A 75 11.794 -42.545 0.042 1.00 70.43 N ATOM 1115 CA ALA A 75 11.073 -43.593 -0.670 1.00 72.12 C ATOM 1116 C ALA A 75 11.835 -44.913 -0.624 1.00 42.00 C ATOM 1117 O ALA A 75 13.055 -44.948 -0.459 1.00 52.33 O ATOM 1118 CB ALA A 75 10.823 -43.176 -2.112 1.00 1.21 C ATOM 0 H ALA A 75 12.523 -42.088 -0.505 1.00 70.43 H new ATOM 0 HA ALA A 75 10.114 -43.740 -0.174 1.00 72.12 H new ATOM 0 HB1 ALA A 75 10.284 -43.968 -2.632 1.00 1.21 H new ATOM 0 HB2 ALA A 75 10.230 -42.262 -2.129 1.00 1.21 H new ATOM 0 HB3 ALA A 75 11.776 -42.999 -2.610 1.00 1.21 H new ATOM 1124 N PRO A 76 11.102 -46.026 -0.772 1.00 31.32 N ATOM 1125 CA PRO A 76 11.689 -47.369 -0.750 1.00 72.42 C ATOM 1126 C PRO A 76 12.541 -47.650 -1.983 1.00 41.53 C ATOM 1127 O PRO A 76 12.774 -46.761 -2.803 1.00 64.21 O ATOM 1128 CB PRO A 76 10.466 -48.290 -0.725 1.00 23.32 C ATOM 1129 CG PRO A 76 9.376 -47.490 -1.350 1.00 63.32 C ATOM 1130 CD PRO A 76 9.643 -46.060 -0.972 1.00 4.40 C ATOM 0 HA PRO A 76 12.361 -47.506 0.097 1.00 72.42 H new ATOM 0 HB2 PRO A 76 10.651 -49.209 -1.281 1.00 23.32 H new ATOM 0 HB3 PRO A 76 10.210 -48.580 0.294 1.00 23.32 H new ATOM 0 HG2 PRO A 76 9.373 -47.613 -2.433 1.00 63.32 H new ATOM 0 HG3 PRO A 76 8.399 -47.813 -0.990 1.00 63.32 H new ATOM 0 HD2 PRO A 76 9.329 -45.372 -1.757 1.00 4.40 H new ATOM 0 HD3 PRO A 76 9.107 -45.777 -0.066 1.00 4.40 H new ATOM 1138 N ASP A 77 13.003 -48.889 -2.108 1.00 53.25 N ATOM 1139 CA ASP A 77 13.828 -49.286 -3.243 1.00 62.30 C ATOM 1140 C ASP A 77 12.970 -49.527 -4.481 1.00 44.24 C ATOM 1141 O ASP A 77 13.487 -49.825 -5.558 1.00 11.31 O ATOM 1142 CB ASP A 77 14.623 -50.548 -2.905 1.00 64.41 C ATOM 1143 CG ASP A 77 16.058 -50.243 -2.520 1.00 74.31 C ATOM 1144 OD1 ASP A 77 16.331 -50.107 -1.309 1.00 11.50 O ATOM 1145 OD2 ASP A 77 16.907 -50.142 -3.430 1.00 31.23 O ATOM 0 H ASP A 77 12.820 -49.636 -1.438 1.00 53.25 H new ATOM 0 HA ASP A 77 14.523 -48.474 -3.457 1.00 62.30 H new ATOM 0 HB2 ASP A 77 14.134 -51.073 -2.085 1.00 64.41 H new ATOM 0 HB3 ASP A 77 14.615 -51.220 -3.763 1.00 64.41 H new ATOM 1150 N ALA A 78 11.658 -49.396 -4.320 1.00 73.41 N ATOM 1151 CA ALA A 78 10.729 -49.599 -5.425 1.00 14.42 C ATOM 1152 C ALA A 78 10.108 -48.278 -5.869 1.00 30.32 C ATOM 1153 O ALA A 78 9.698 -48.130 -7.019 1.00 44.53 O ATOM 1154 CB ALA A 78 9.642 -50.587 -5.027 1.00 25.12 C ATOM 0 H ALA A 78 11.214 -49.150 -3.435 1.00 73.41 H new ATOM 0 HA ALA A 78 11.288 -50.010 -6.266 1.00 14.42 H new ATOM 0 HB1 ALA A 78 8.956 -50.729 -5.862 1.00 25.12 H new ATOM 0 HB2 ALA A 78 10.097 -51.542 -4.765 1.00 25.12 H new ATOM 0 HB3 ALA A 78 9.094 -50.199 -4.169 1.00 25.12 H new ATOM 1160 N GLY A 79 10.041 -47.322 -4.948 1.00 10.42 N ATOM 1161 CA GLY A 79 9.468 -46.026 -5.264 1.00 31.40 C ATOM 1162 C GLY A 79 8.207 -45.742 -4.473 1.00 14.20 C ATOM 1163 O GLY A 79 7.781 -46.559 -3.656 1.00 52.53 O ATOM 0 H GLY A 79 10.373 -47.421 -3.989 1.00 10.42 H new ATOM 0 HA2 GLY A 79 10.204 -45.248 -5.061 1.00 31.40 H new ATOM 0 HA3 GLY A 79 9.243 -45.982 -6.330 1.00 31.40 H new ATOM 1167 N TRP A 80 7.609 -44.581 -4.714 1.00 11.42 N ATOM 1168 CA TRP A 80 6.389 -44.190 -4.016 1.00 2.22 C ATOM 1169 C TRP A 80 5.215 -45.064 -4.441 1.00 73.01 C ATOM 1170 O TRP A 80 4.594 -45.731 -3.615 1.00 22.34 O ATOM 1171 CB TRP A 80 6.071 -42.719 -4.288 1.00 13.33 C ATOM 1172 CG TRP A 80 7.035 -41.772 -3.639 1.00 33.35 C ATOM 1173 CD1 TRP A 80 7.850 -40.874 -4.266 1.00 61.42 C ATOM 1174 CD2 TRP A 80 7.285 -41.632 -2.236 1.00 33.12 C ATOM 1175 NE1 TRP A 80 8.592 -40.184 -3.338 1.00 20.40 N ATOM 1176 CE2 TRP A 80 8.263 -40.630 -2.085 1.00 41.12 C ATOM 1177 CE3 TRP A 80 6.776 -42.254 -1.092 1.00 40.24 C ATOM 1178 CZ2 TRP A 80 8.741 -40.239 -0.838 1.00 5.45 C ATOM 1179 CZ3 TRP A 80 7.252 -41.865 0.145 1.00 0.51 C ATOM 1180 CH2 TRP A 80 8.226 -40.864 0.265 1.00 70.21 C ATOM 0 H TRP A 80 7.949 -43.894 -5.387 1.00 11.42 H new ATOM 0 HA TRP A 80 6.551 -44.328 -2.947 1.00 2.22 H new ATOM 0 HB2 TRP A 80 6.073 -42.547 -5.364 1.00 13.33 H new ATOM 0 HB3 TRP A 80 5.064 -42.501 -3.933 1.00 13.33 H new ATOM 0 HD1 TRP A 80 7.904 -40.727 -5.335 1.00 61.42 H new ATOM 0 HE1 TRP A 80 9.277 -39.458 -3.548 1.00 20.40 H new ATOM 0 HE3 TRP A 80 6.024 -43.025 -1.174 1.00 40.24 H new ATOM 0 HZ2 TRP A 80 9.492 -39.469 -0.744 1.00 5.45 H new ATOM 0 HZ3 TRP A 80 6.867 -42.340 1.035 1.00 0.51 H new ATOM 0 HH2 TRP A 80 8.577 -40.581 1.246 1.00 70.21 H new ATOM 1191 N GLY A 81 4.915 -45.056 -5.736 1.00 54.14 N ATOM 1192 CA GLY A 81 3.815 -45.853 -6.248 1.00 52.41 C ATOM 1193 C GLY A 81 2.477 -45.153 -6.107 1.00 65.02 C ATOM 1194 O GLY A 81 2.422 -43.947 -5.869 1.00 24.41 O ATOM 0 H GLY A 81 5.414 -44.512 -6.440 1.00 54.14 H new ATOM 0 HA2 GLY A 81 3.994 -46.081 -7.299 1.00 52.41 H new ATOM 0 HA3 GLY A 81 3.782 -46.804 -5.717 1.00 52.41 H new ATOM 1198 N ASN A 82 1.396 -45.911 -6.257 1.00 21.24 N ATOM 1199 CA ASN A 82 0.052 -45.356 -6.147 1.00 1.22 C ATOM 1200 C ASN A 82 -0.786 -46.152 -5.151 1.00 61.21 C ATOM 1201 O ASN A 82 -1.997 -46.302 -5.322 1.00 4.35 O ATOM 1202 CB ASN A 82 -0.632 -45.348 -7.515 1.00 54.11 C ATOM 1203 CG ASN A 82 0.348 -45.124 -8.651 1.00 32.35 C ATOM 1204 OD1 ASN A 82 1.171 -44.090 -8.526 1.00 21.03 O flip ATOM 1205 ND2 ASN A 82 0.364 -45.873 -9.628 1.00 23.10 N flip ATOM 0 H ASN A 82 1.424 -46.911 -6.455 1.00 21.24 H new ATOM 0 HA ASN A 82 0.137 -44.331 -5.785 1.00 1.22 H new ATOM 0 HB2 ASN A 82 -1.148 -46.296 -7.666 1.00 54.11 H new ATOM 0 HB3 ASN A 82 -1.391 -44.566 -7.534 1.00 54.11 H new ATOM 0 HD21 ASN A 82 -0.288 -46.656 -9.681 1.00 23.10 H new ATOM 0 HD22 ASN A 82 1.029 -45.711 -10.384 1.00 23.10 H new ATOM 1212 N LEU A 83 -0.134 -46.661 -4.111 1.00 51.24 N ATOM 1213 CA LEU A 83 -0.819 -47.442 -3.087 1.00 4.32 C ATOM 1214 C LEU A 83 -1.356 -46.538 -1.982 1.00 55.00 C ATOM 1215 O LEU A 83 -1.253 -45.314 -2.061 1.00 43.21 O ATOM 1216 CB LEU A 83 0.131 -48.483 -2.492 1.00 70.32 C ATOM 1217 CG LEU A 83 1.538 -47.992 -2.152 1.00 45.23 C ATOM 1218 CD1 LEU A 83 2.423 -48.007 -3.390 1.00 34.34 C ATOM 1219 CD2 LEU A 83 1.485 -46.595 -1.550 1.00 71.33 C ATOM 0 H LEU A 83 0.867 -46.547 -3.955 1.00 51.24 H new ATOM 0 HA LEU A 83 -1.661 -47.952 -3.556 1.00 4.32 H new ATOM 0 HB2 LEU A 83 -0.322 -48.882 -1.584 1.00 70.32 H new ATOM 0 HB3 LEU A 83 0.217 -49.311 -3.196 1.00 70.32 H new ATOM 0 HG LEU A 83 1.969 -48.668 -1.414 1.00 45.23 H new ATOM 0 HD11 LEU A 83 3.421 -47.654 -3.128 1.00 34.34 H new ATOM 0 HD12 LEU A 83 2.488 -49.023 -3.779 1.00 34.34 H new ATOM 0 HD13 LEU A 83 1.995 -47.354 -4.151 1.00 34.34 H new ATOM 0 HD21 LEU A 83 2.496 -46.262 -1.314 1.00 71.33 H new ATOM 0 HD22 LEU A 83 1.034 -45.907 -2.265 1.00 71.33 H new ATOM 0 HD23 LEU A 83 0.887 -46.614 -0.639 1.00 71.33 H new ATOM 1231 N VAL A 84 -1.930 -47.150 -0.951 1.00 10.13 N ATOM 1232 CA VAL A 84 -2.481 -46.401 0.172 1.00 33.14 C ATOM 1233 C VAL A 84 -1.458 -46.259 1.293 1.00 30.15 C ATOM 1234 O VAL A 84 -0.492 -47.019 1.366 1.00 1.12 O ATOM 1235 CB VAL A 84 -3.748 -47.078 0.730 1.00 5.45 C ATOM 1236 CG1 VAL A 84 -4.514 -46.118 1.628 1.00 73.22 C ATOM 1237 CG2 VAL A 84 -4.628 -47.578 -0.405 1.00 30.14 C ATOM 0 H VAL A 84 -2.025 -48.162 -0.870 1.00 10.13 H new ATOM 0 HA VAL A 84 -2.742 -45.412 -0.204 1.00 33.14 H new ATOM 0 HB VAL A 84 -3.447 -47.937 1.330 1.00 5.45 H new ATOM 0 HG11 VAL A 84 -5.406 -46.613 2.013 1.00 73.22 H new ATOM 0 HG12 VAL A 84 -3.880 -45.814 2.461 1.00 73.22 H new ATOM 0 HG13 VAL A 84 -4.806 -45.238 1.055 1.00 73.22 H new ATOM 0 HG21 VAL A 84 -5.518 -48.053 0.007 1.00 30.14 H new ATOM 0 HG22 VAL A 84 -4.923 -46.738 -1.034 1.00 30.14 H new ATOM 0 HG23 VAL A 84 -4.074 -48.302 -1.003 1.00 30.14 H new ATOM 1247 N TYR A 85 -1.677 -45.282 2.166 1.00 2.21 N ATOM 1248 CA TYR A 85 -0.772 -45.038 3.284 1.00 74.54 C ATOM 1249 C TYR A 85 -1.552 -44.807 4.575 1.00 63.52 C ATOM 1250 O TYR A 85 -2.652 -44.255 4.560 1.00 44.34 O ATOM 1251 CB TYR A 85 0.120 -43.832 2.991 1.00 45.51 C ATOM 1252 CG TYR A 85 -0.350 -42.556 3.652 1.00 10.31 C ATOM 1253 CD1 TYR A 85 -0.050 -42.288 4.982 1.00 31.12 C ATOM 1254 CD2 TYR A 85 -1.095 -41.618 2.947 1.00 31.43 C ATOM 1255 CE1 TYR A 85 -0.478 -41.124 5.591 1.00 74.21 C ATOM 1256 CE2 TYR A 85 -1.526 -40.451 3.547 1.00 32.23 C ATOM 1257 CZ TYR A 85 -1.216 -40.209 4.869 1.00 4.31 C ATOM 1258 OH TYR A 85 -1.644 -39.048 5.471 1.00 55.12 O ATOM 0 H TYR A 85 -2.473 -44.646 2.121 1.00 2.21 H new ATOM 0 HA TYR A 85 -0.146 -45.921 3.412 1.00 74.54 H new ATOM 0 HB2 TYR A 85 1.134 -44.052 3.324 1.00 45.51 H new ATOM 0 HB3 TYR A 85 0.165 -43.677 1.913 1.00 45.51 H new ATOM 0 HD1 TYR A 85 0.528 -43.002 5.550 1.00 31.12 H new ATOM 0 HD2 TYR A 85 -1.341 -41.805 1.912 1.00 31.43 H new ATOM 0 HE1 TYR A 85 -0.236 -40.932 6.626 1.00 74.21 H new ATOM 0 HE2 TYR A 85 -2.103 -39.732 2.984 1.00 32.23 H new ATOM 0 HH TYR A 85 -1.859 -38.383 4.784 1.00 55.12 H new ATOM 1268 N VAL A 86 -0.973 -45.235 5.692 1.00 4.13 N ATOM 1269 CA VAL A 86 -1.610 -45.074 6.994 1.00 52.04 C ATOM 1270 C VAL A 86 -0.886 -44.029 7.835 1.00 54.42 C ATOM 1271 O VAL A 86 0.324 -44.112 8.041 1.00 4.03 O ATOM 1272 CB VAL A 86 -1.648 -46.405 7.769 1.00 45.53 C ATOM 1273 CG1 VAL A 86 -2.194 -46.190 9.172 1.00 72.12 C ATOM 1274 CG2 VAL A 86 -2.476 -47.436 7.017 1.00 45.43 C ATOM 0 H VAL A 86 -0.064 -45.696 5.722 1.00 4.13 H new ATOM 0 HA VAL A 86 -2.631 -44.742 6.808 1.00 52.04 H new ATOM 0 HB VAL A 86 -0.630 -46.785 7.856 1.00 45.53 H new ATOM 0 HG11 VAL A 86 -2.214 -47.141 9.705 1.00 72.12 H new ATOM 0 HG12 VAL A 86 -1.555 -45.487 9.707 1.00 72.12 H new ATOM 0 HG13 VAL A 86 -3.205 -45.787 9.111 1.00 72.12 H new ATOM 0 HG21 VAL A 86 -2.492 -48.370 7.579 1.00 45.43 H new ATOM 0 HG22 VAL A 86 -3.495 -47.067 6.897 1.00 45.43 H new ATOM 0 HG23 VAL A 86 -2.035 -47.611 6.035 1.00 45.43 H new ATOM 1284 N VAL A 87 -1.636 -43.044 8.319 1.00 55.31 N ATOM 1285 CA VAL A 87 -1.067 -41.982 9.140 1.00 51.33 C ATOM 1286 C VAL A 87 -0.507 -42.536 10.445 1.00 61.23 C ATOM 1287 O VAL A 87 -0.929 -43.592 10.914 1.00 12.02 O ATOM 1288 CB VAL A 87 -2.114 -40.899 9.462 1.00 31.13 C ATOM 1289 CG1 VAL A 87 -1.444 -39.665 10.045 1.00 4.54 C ATOM 1290 CG2 VAL A 87 -2.914 -40.544 8.218 1.00 65.13 C ATOM 0 H VAL A 87 -2.639 -42.960 8.157 1.00 55.31 H new ATOM 0 HA VAL A 87 -0.258 -41.535 8.562 1.00 51.33 H new ATOM 0 HB VAL A 87 -2.803 -41.295 10.208 1.00 31.13 H new ATOM 0 HG11 VAL A 87 -2.199 -38.911 10.266 1.00 4.54 H new ATOM 0 HG12 VAL A 87 -0.921 -39.934 10.962 1.00 4.54 H new ATOM 0 HG13 VAL A 87 -0.731 -39.264 9.325 1.00 4.54 H new ATOM 0 HG21 VAL A 87 -3.649 -39.778 8.464 1.00 65.13 H new ATOM 0 HG22 VAL A 87 -2.241 -40.167 7.448 1.00 65.13 H new ATOM 0 HG23 VAL A 87 -3.426 -41.433 7.849 1.00 65.13 H new ATOM 1300 N ASN A 88 0.447 -41.816 11.026 1.00 31.12 N ATOM 1301 CA ASN A 88 1.066 -42.236 12.278 1.00 31.11 C ATOM 1302 C ASN A 88 1.417 -41.029 13.143 1.00 64.41 C ATOM 1303 O ASN A 88 2.438 -40.375 12.928 1.00 13.41 O ATOM 1304 CB ASN A 88 2.324 -43.061 11.998 1.00 51.42 C ATOM 1305 CG ASN A 88 2.741 -43.902 13.189 1.00 40.15 C ATOM 1306 OD1 ASN A 88 1.906 -44.520 13.849 1.00 70.10 O ATOM 1307 ND2 ASN A 88 4.039 -43.929 13.468 1.00 11.32 N ATOM 0 H ASN A 88 0.808 -40.939 10.650 1.00 31.12 H new ATOM 0 HA ASN A 88 0.349 -42.853 12.820 1.00 31.11 H new ATOM 0 HB2 ASN A 88 2.145 -43.712 11.142 1.00 51.42 H new ATOM 0 HB3 ASN A 88 3.140 -42.392 11.725 1.00 51.42 H new ATOM 0 HD21 ASN A 88 4.380 -44.478 14.257 1.00 11.32 H new ATOM 0 HD22 ASN A 88 4.695 -43.401 12.893 1.00 11.32 H new