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 -123:sc= 0.973 USER MOD Single : A 24 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1.6!) USER MOD Single : A 32 SER OG : rot -49:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.644 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 -47:sc= 0.872 USER MOD Single : A 46 GLN : amide:sc= -7.37! C(o=-7.4!,f=-12!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.435 USER MOD Single : A 57 ASN : amide:sc= -1.64 X(o=-1.6,f=-2.1!) USER MOD Single : A 74 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.248 F(o=-1.8,f=-0.25) USER MOD Single : A 85 TYR OH : rot 154:sc= 2 USER MOD Single : A 88 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 18.361 -39.465 -3.725 1.00 21.33 N ATOM 195 CA GLU A 15 17.146 -38.814 -4.200 1.00 2.45 C ATOM 196 C GLU A 15 16.390 -38.164 -3.044 1.00 41.11 C ATOM 197 O GLU A 15 16.889 -38.099 -1.920 1.00 52.12 O ATOM 198 CB GLU A 15 16.243 -39.824 -4.910 1.00 43.13 C ATOM 199 CG GLU A 15 15.937 -39.457 -6.353 1.00 23.52 C ATOM 200 CD GLU A 15 16.932 -40.053 -7.330 1.00 24.14 C ATOM 201 OE1 GLU A 15 16.637 -40.065 -8.543 1.00 72.51 O ATOM 202 OE2 GLU A 15 18.006 -40.507 -6.881 1.00 52.14 O ATOM 0 HA GLU A 15 17.434 -38.036 -4.907 1.00 2.45 H new ATOM 0 HB2 GLU A 15 16.719 -40.804 -4.886 1.00 43.13 H new ATOM 0 HB3 GLU A 15 15.306 -39.911 -4.360 1.00 43.13 H new ATOM 0 HG2 GLU A 15 14.934 -39.801 -6.607 1.00 23.52 H new ATOM 0 HG3 GLU A 15 15.938 -38.372 -6.456 1.00 23.52 H new ATOM 209 N TYR A 16 15.185 -37.684 -3.329 1.00 72.13 N ATOM 210 CA TYR A 16 14.360 -37.037 -2.316 1.00 5.33 C ATOM 211 C TYR A 16 12.931 -37.569 -2.355 1.00 2.25 C ATOM 212 O TYR A 16 12.603 -38.441 -3.160 1.00 4.30 O ATOM 213 CB TYR A 16 14.358 -35.521 -2.522 1.00 70.12 C ATOM 214 CG TYR A 16 14.301 -35.108 -3.976 1.00 21.14 C ATOM 215 CD1 TYR A 16 15.439 -34.661 -4.636 1.00 0.41 C ATOM 216 CD2 TYR A 16 13.110 -35.164 -4.688 1.00 71.23 C ATOM 217 CE1 TYR A 16 15.392 -34.282 -5.964 1.00 11.55 C ATOM 218 CE2 TYR A 16 13.054 -34.789 -6.016 1.00 53.45 C ATOM 219 CZ TYR A 16 14.197 -34.348 -6.650 1.00 1.24 C ATOM 220 OH TYR A 16 14.145 -33.971 -7.972 1.00 60.31 O ATOM 0 H TYR A 16 14.757 -37.731 -4.254 1.00 72.13 H new ATOM 0 HA TYR A 16 14.786 -37.264 -1.338 1.00 5.33 H new ATOM 0 HB2 TYR A 16 13.504 -35.093 -1.997 1.00 70.12 H new ATOM 0 HB3 TYR A 16 15.255 -35.100 -2.068 1.00 70.12 H new ATOM 0 HD1 TYR A 16 16.376 -34.609 -4.102 1.00 0.41 H new ATOM 0 HD2 TYR A 16 12.212 -35.507 -4.195 1.00 71.23 H new ATOM 0 HE1 TYR A 16 16.286 -33.936 -6.462 1.00 11.55 H new ATOM 0 HE2 TYR A 16 12.120 -34.841 -6.556 1.00 53.45 H new ATOM 0 HH TYR A 16 13.230 -34.079 -8.307 1.00 60.31 H new ATOM 230 N ILE A 17 12.085 -37.037 -1.479 1.00 20.11 N ATOM 231 CA ILE A 17 10.691 -37.456 -1.413 1.00 75.44 C ATOM 232 C ILE A 17 9.751 -36.272 -1.608 1.00 55.44 C ATOM 233 O ILE A 17 9.849 -35.266 -0.905 1.00 34.01 O ATOM 234 CB ILE A 17 10.370 -38.136 -0.069 1.00 74.12 C ATOM 235 CG1 ILE A 17 8.856 -38.247 0.122 1.00 34.33 C ATOM 236 CG2 ILE A 17 10.999 -37.362 1.079 1.00 12.14 C ATOM 237 CD1 ILE A 17 8.458 -39.025 1.357 1.00 23.12 C ATOM 0 H ILE A 17 12.341 -36.315 -0.805 1.00 20.11 H new ATOM 0 HA ILE A 17 10.539 -38.174 -2.219 1.00 75.44 H new ATOM 0 HB ILE A 17 10.791 -39.141 -0.077 1.00 74.12 H new ATOM 0 HG12 ILE A 17 8.431 -37.245 0.181 1.00 34.33 H new ATOM 0 HG13 ILE A 17 8.421 -38.726 -0.755 1.00 34.33 H new ATOM 0 HG21 ILE A 17 10.763 -37.855 2.022 1.00 12.14 H new ATOM 0 HG22 ILE A 17 12.080 -37.330 0.947 1.00 12.14 H new ATOM 0 HG23 ILE A 17 10.605 -36.346 1.092 1.00 12.14 H new ATOM 0 HD11 ILE A 17 7.371 -39.063 1.428 1.00 23.12 H new ATOM 0 HD12 ILE A 17 8.853 -40.039 1.291 1.00 23.12 H new ATOM 0 HD13 ILE A 17 8.863 -38.534 2.242 1.00 23.12 H new ATOM 249 N ARG A 18 8.839 -36.398 -2.567 1.00 33.21 N ATOM 250 CA ARG A 18 7.880 -35.338 -2.854 1.00 71.22 C ATOM 251 C ARG A 18 6.452 -35.814 -2.604 1.00 31.10 C ATOM 252 O ARG A 18 5.894 -36.578 -3.392 1.00 12.12 O ATOM 253 CB ARG A 18 8.026 -34.868 -4.303 1.00 32.33 C ATOM 254 CG ARG A 18 8.710 -33.518 -4.439 1.00 15.40 C ATOM 255 CD ARG A 18 7.875 -32.552 -5.265 1.00 50.43 C ATOM 256 NE ARG A 18 8.149 -32.676 -6.694 1.00 51.34 N ATOM 257 CZ ARG A 18 7.692 -31.826 -7.607 1.00 14.31 C ATOM 258 NH1 ARG A 18 6.942 -30.795 -7.241 1.00 3.11 N ATOM 259 NH2 ARG A 18 7.984 -32.006 -8.889 1.00 0.44 N ATOM 0 H ARG A 18 8.744 -37.224 -3.158 1.00 33.21 H new ATOM 0 HA ARG A 18 8.088 -34.503 -2.185 1.00 71.22 H new ATOM 0 HB2 ARG A 18 8.594 -35.612 -4.862 1.00 32.33 H new ATOM 0 HB3 ARG A 18 7.038 -34.813 -4.760 1.00 32.33 H new ATOM 0 HG2 ARG A 18 8.884 -33.096 -3.449 1.00 15.40 H new ATOM 0 HG3 ARG A 18 9.686 -33.649 -4.906 1.00 15.40 H new ATOM 0 HD2 ARG A 18 6.817 -32.739 -5.081 1.00 50.43 H new ATOM 0 HD3 ARG A 18 8.079 -31.530 -4.944 1.00 50.43 H new ATOM 0 HE ARG A 18 8.723 -33.458 -7.008 1.00 51.34 H new ATOM 0 HH11 ARG A 18 6.715 -30.653 -6.257 1.00 3.11 H new ATOM 0 HH12 ARG A 18 6.592 -30.144 -7.944 1.00 3.11 H new ATOM 0 HH21 ARG A 18 8.560 -32.798 -9.175 1.00 0.44 H new ATOM 0 HH22 ARG A 18 7.632 -31.353 -9.589 1.00 0.44 H new ATOM 273 N VAL A 19 5.866 -35.358 -1.501 1.00 41.24 N ATOM 274 CA VAL A 19 4.503 -35.736 -1.147 1.00 63.12 C ATOM 275 C VAL A 19 3.805 -34.620 -0.379 1.00 2.32 C ATOM 276 O VAL A 19 4.443 -33.856 0.347 1.00 64.31 O ATOM 277 CB VAL A 19 4.480 -37.021 -0.298 1.00 62.02 C ATOM 278 CG1 VAL A 19 4.776 -38.238 -1.162 1.00 53.51 C ATOM 279 CG2 VAL A 19 5.473 -36.918 0.850 1.00 70.41 C ATOM 0 H VAL A 19 6.314 -34.726 -0.837 1.00 41.24 H new ATOM 0 HA VAL A 19 3.972 -35.917 -2.081 1.00 63.12 H new ATOM 0 HB VAL A 19 3.482 -37.139 0.124 1.00 62.02 H new ATOM 0 HG11 VAL A 19 4.755 -39.136 -0.545 1.00 53.51 H new ATOM 0 HG12 VAL A 19 4.023 -38.319 -1.946 1.00 53.51 H new ATOM 0 HG13 VAL A 19 5.762 -38.132 -1.615 1.00 53.51 H new ATOM 0 HG21 VAL A 19 5.444 -37.834 1.440 1.00 70.41 H new ATOM 0 HG22 VAL A 19 6.477 -36.775 0.451 1.00 70.41 H new ATOM 0 HG23 VAL A 19 5.210 -36.071 1.483 1.00 70.41 H new ATOM 289 N THR A 20 2.489 -34.529 -0.542 1.00 71.53 N ATOM 290 CA THR A 20 1.703 -33.506 0.135 1.00 31.10 C ATOM 291 C THR A 20 0.683 -34.132 1.080 1.00 5.41 C ATOM 292 O THR A 20 0.192 -35.233 0.836 1.00 50.11 O ATOM 293 CB THR A 20 0.966 -32.605 -0.873 1.00 52.34 C ATOM 294 OG1 THR A 20 -0.126 -31.940 -0.229 1.00 14.31 O ATOM 295 CG2 THR A 20 0.448 -33.419 -2.049 1.00 75.11 C ATOM 0 H THR A 20 1.945 -35.153 -1.138 1.00 71.53 H new ATOM 0 HA THR A 20 2.403 -32.899 0.710 1.00 31.10 H new ATOM 0 HB THR A 20 1.672 -31.864 -1.248 1.00 52.34 H new ATOM 0 HG1 THR A 20 -0.959 -32.145 -0.703 1.00 14.31 H new ATOM 0 HG21 THR A 20 -0.069 -32.761 -2.747 1.00 75.11 H new ATOM 0 HG22 THR A 20 1.285 -33.900 -2.555 1.00 75.11 H new ATOM 0 HG23 THR A 20 -0.244 -34.180 -1.688 1.00 75.11 H new ATOM 303 N GLU A 21 0.370 -33.421 2.159 1.00 31.33 N ATOM 304 CA GLU A 21 -0.592 -33.909 3.141 1.00 41.22 C ATOM 305 C GLU A 21 -2.013 -33.849 2.587 1.00 44.51 C ATOM 306 O GLU A 21 -2.757 -34.827 2.651 1.00 52.21 O ATOM 307 CB GLU A 21 -0.500 -33.088 4.429 1.00 21.21 C ATOM 308 CG GLU A 21 -1.183 -33.743 5.618 1.00 62.11 C ATOM 309 CD GLU A 21 -2.225 -32.847 6.258 1.00 35.20 C ATOM 310 OE1 GLU A 21 -1.878 -31.707 6.632 1.00 32.43 O ATOM 311 OE2 GLU A 21 -3.388 -33.285 6.385 1.00 62.40 O ATOM 0 H GLU A 21 0.768 -32.507 2.375 1.00 31.33 H new ATOM 0 HA GLU A 21 -0.351 -34.949 3.363 1.00 41.22 H new ATOM 0 HB2 GLU A 21 0.550 -32.922 4.670 1.00 21.21 H new ATOM 0 HB3 GLU A 21 -0.947 -32.108 4.258 1.00 21.21 H new ATOM 0 HG2 GLU A 21 -1.656 -34.671 5.295 1.00 62.11 H new ATOM 0 HG3 GLU A 21 -0.432 -34.010 6.362 1.00 62.11 H new ATOM 318 N ASP A 22 -2.381 -32.693 2.044 1.00 21.42 N ATOM 319 CA ASP A 22 -3.712 -32.504 1.478 1.00 24.33 C ATOM 320 C ASP A 22 -3.674 -32.605 -0.043 1.00 53.24 C ATOM 321 O ASP A 22 -2.604 -32.577 -0.650 1.00 52.52 O ATOM 322 CB ASP A 22 -4.280 -31.148 1.899 1.00 42.15 C ATOM 323 CG ASP A 22 -4.012 -30.835 3.358 1.00 52.04 C ATOM 324 OD1 ASP A 22 -4.918 -31.057 4.188 1.00 14.52 O ATOM 325 OD2 ASP A 22 -2.896 -30.369 3.669 1.00 33.41 O ATOM 0 H ASP A 22 -1.777 -31.873 1.984 1.00 21.42 H new ATOM 0 HA ASP A 22 -4.359 -33.294 1.860 1.00 24.33 H new ATOM 0 HB2 ASP A 22 -3.844 -30.366 1.277 1.00 42.15 H new ATOM 0 HB3 ASP A 22 -5.355 -31.136 1.720 1.00 42.15 H new ATOM 330 N GLU A 23 -4.850 -32.723 -0.653 1.00 21.13 N ATOM 331 CA GLU A 23 -4.950 -32.830 -2.104 1.00 13.25 C ATOM 332 C GLU A 23 -4.851 -31.455 -2.758 1.00 72.03 C ATOM 333 O GLU A 23 -4.284 -31.311 -3.841 1.00 15.14 O ATOM 334 CB GLU A 23 -6.268 -33.501 -2.498 1.00 3.22 C ATOM 335 CG GLU A 23 -6.612 -34.712 -1.648 1.00 32.14 C ATOM 336 CD GLU A 23 -7.954 -35.317 -2.011 1.00 34.13 C ATOM 337 OE1 GLU A 23 -8.204 -36.479 -1.627 1.00 30.03 O ATOM 338 OE2 GLU A 23 -8.755 -34.629 -2.678 1.00 64.55 O ATOM 0 H GLU A 23 -5.746 -32.747 -0.165 1.00 21.13 H new ATOM 0 HA GLU A 23 -4.120 -33.442 -2.457 1.00 13.25 H new ATOM 0 HB2 GLU A 23 -7.075 -32.772 -2.420 1.00 3.22 H new ATOM 0 HB3 GLU A 23 -6.213 -33.805 -3.543 1.00 3.22 H new ATOM 0 HG2 GLU A 23 -5.834 -35.466 -1.765 1.00 32.14 H new ATOM 0 HG3 GLU A 23 -6.620 -34.423 -0.597 1.00 32.14 H new ATOM 345 N ASN A 24 -5.408 -30.448 -2.093 1.00 45.21 N ATOM 346 CA ASN A 24 -5.383 -29.084 -2.610 1.00 73.33 C ATOM 347 C ASN A 24 -4.010 -28.451 -2.411 1.00 24.25 C ATOM 348 O ASN A 24 -3.604 -27.572 -3.170 1.00 43.34 O ATOM 349 CB ASN A 24 -6.453 -28.236 -1.920 1.00 55.04 C ATOM 350 CG ASN A 24 -7.853 -28.567 -2.402 1.00 21.44 C ATOM 351 OD1 ASN A 24 -8.029 -29.224 -3.428 1.00 52.22 O ATOM 352 ND2 ASN A 24 -8.856 -28.113 -1.660 1.00 35.20 N ATOM 0 H ASN A 24 -5.882 -30.550 -1.196 1.00 45.21 H new ATOM 0 HA ASN A 24 -5.593 -29.123 -3.679 1.00 73.33 H new ATOM 0 HB2 ASN A 24 -6.397 -28.391 -0.843 1.00 55.04 H new ATOM 0 HB3 ASN A 24 -6.249 -27.181 -2.101 1.00 55.04 H new ATOM 0 HD21 ASN A 24 -9.820 -28.305 -1.933 1.00 35.20 H new ATOM 0 HD22 ASN A 24 -8.663 -27.572 -0.817 1.00 35.20 H new ATOM 359 N ASP A 25 -3.299 -28.905 -1.384 1.00 0.20 N ATOM 360 CA ASP A 25 -1.970 -28.384 -1.085 1.00 21.53 C ATOM 361 C ASP A 25 -0.959 -28.843 -2.131 1.00 4.13 C ATOM 362 O ASP A 25 -1.189 -29.819 -2.843 1.00 65.33 O ATOM 363 CB ASP A 25 -1.523 -28.836 0.307 1.00 75.23 C ATOM 364 CG ASP A 25 -0.339 -28.042 0.821 1.00 62.12 C ATOM 365 OD1 ASP A 25 0.569 -28.653 1.423 1.00 63.04 O ATOM 366 OD2 ASP A 25 -0.319 -26.810 0.621 1.00 52.25 O ATOM 0 H ASP A 25 -3.621 -29.632 -0.745 1.00 0.20 H new ATOM 0 HA ASP A 25 -2.020 -27.295 -1.107 1.00 21.53 H new ATOM 0 HB2 ASP A 25 -2.355 -28.734 1.004 1.00 75.23 H new ATOM 0 HB3 ASP A 25 -1.261 -29.894 0.276 1.00 75.23 H new ATOM 371 N GLU A 26 0.160 -28.130 -2.217 1.00 24.30 N ATOM 372 CA GLU A 26 1.205 -28.464 -3.178 1.00 4.23 C ATOM 373 C GLU A 26 2.139 -29.532 -2.617 1.00 22.52 C ATOM 374 O GLU A 26 2.320 -29.661 -1.406 1.00 4.12 O ATOM 375 CB GLU A 26 2.007 -27.214 -3.548 1.00 13.24 C ATOM 376 CG GLU A 26 1.643 -26.638 -4.906 1.00 2.53 C ATOM 377 CD GLU A 26 2.376 -25.344 -5.205 1.00 75.05 C ATOM 378 OE1 GLU A 26 3.459 -25.128 -4.623 1.00 11.31 O ATOM 379 OE2 GLU A 26 1.866 -24.548 -6.022 1.00 32.42 O ATOM 0 H GLU A 26 0.366 -27.319 -1.634 1.00 24.30 H new ATOM 0 HA GLU A 26 0.726 -28.859 -4.074 1.00 4.23 H new ATOM 0 HB2 GLU A 26 1.849 -26.452 -2.785 1.00 13.24 H new ATOM 0 HB3 GLU A 26 3.069 -27.458 -3.539 1.00 13.24 H new ATOM 0 HG2 GLU A 26 1.873 -27.369 -5.681 1.00 2.53 H new ATOM 0 HG3 GLU A 26 0.568 -26.460 -4.945 1.00 2.53 H new ATOM 386 N PRO A 27 2.746 -30.319 -3.518 1.00 24.02 N ATOM 387 CA PRO A 27 3.672 -31.391 -3.137 1.00 55.43 C ATOM 388 C PRO A 27 4.984 -30.852 -2.578 1.00 12.01 C ATOM 389 O PRO A 27 5.839 -30.377 -3.325 1.00 43.33 O ATOM 390 CB PRO A 27 3.916 -32.132 -4.454 1.00 31.32 C ATOM 391 CG PRO A 27 3.660 -31.117 -5.514 1.00 30.23 C ATOM 392 CD PRO A 27 2.577 -30.222 -4.977 1.00 71.54 C ATOM 0 HA PRO A 27 3.264 -32.021 -2.346 1.00 55.43 H new ATOM 0 HB2 PRO A 27 4.935 -32.514 -4.510 1.00 31.32 H new ATOM 0 HB3 PRO A 27 3.249 -32.988 -4.556 1.00 31.32 H new ATOM 0 HG2 PRO A 27 4.563 -30.548 -5.735 1.00 30.23 H new ATOM 0 HG3 PRO A 27 3.348 -31.593 -6.443 1.00 30.23 H new ATOM 0 HD2 PRO A 27 2.693 -29.196 -5.328 1.00 71.54 H new ATOM 0 HD3 PRO A 27 1.588 -30.556 -5.290 1.00 71.54 H new ATOM 400 N ILE A 28 5.136 -30.930 -1.260 1.00 41.22 N ATOM 401 CA ILE A 28 6.345 -30.451 -0.602 1.00 23.31 C ATOM 402 C ILE A 28 7.504 -31.421 -0.809 1.00 1.25 C ATOM 403 O ILE A 28 7.364 -32.625 -0.595 1.00 50.54 O ATOM 404 CB ILE A 28 6.122 -30.250 0.909 1.00 61.34 C ATOM 405 CG1 ILE A 28 7.431 -29.845 1.590 1.00 14.02 C ATOM 406 CG2 ILE A 28 5.563 -31.519 1.535 1.00 62.21 C ATOM 407 CD1 ILE A 28 8.044 -28.585 1.020 1.00 33.03 C ATOM 0 H ILE A 28 4.437 -31.320 -0.627 1.00 41.22 H new ATOM 0 HA ILE A 28 6.592 -29.491 -1.055 1.00 23.31 H new ATOM 0 HB ILE A 28 5.397 -29.448 1.051 1.00 61.34 H new ATOM 0 HG12 ILE A 28 7.248 -29.701 2.655 1.00 14.02 H new ATOM 0 HG13 ILE A 28 8.147 -30.662 1.498 1.00 14.02 H new ATOM 0 HG21 ILE A 28 5.411 -31.361 2.603 1.00 62.21 H new ATOM 0 HG22 ILE A 28 4.611 -31.768 1.066 1.00 62.21 H new ATOM 0 HG23 ILE A 28 6.266 -32.339 1.386 1.00 62.21 H new ATOM 0 HD11 ILE A 28 8.969 -28.358 1.550 1.00 33.03 H new ATOM 0 HD12 ILE A 28 8.259 -28.732 -0.038 1.00 33.03 H new ATOM 0 HD13 ILE A 28 7.346 -27.756 1.137 1.00 33.03 H new ATOM 419 N GLU A 29 8.649 -30.887 -1.223 1.00 53.23 N ATOM 420 CA GLU A 29 9.832 -31.706 -1.457 1.00 43.45 C ATOM 421 C GLU A 29 10.771 -31.661 -0.255 1.00 62.13 C ATOM 422 O GLU A 29 11.170 -30.586 0.194 1.00 21.44 O ATOM 423 CB GLU A 29 10.569 -31.230 -2.712 1.00 12.05 C ATOM 424 CG GLU A 29 10.944 -29.758 -2.675 1.00 62.14 C ATOM 425 CD GLU A 29 11.661 -29.308 -3.933 1.00 45.13 C ATOM 426 OE1 GLU A 29 12.830 -29.706 -4.124 1.00 1.44 O ATOM 427 OE2 GLU A 29 11.055 -28.558 -4.727 1.00 22.42 O ATOM 0 H GLU A 29 8.782 -29.892 -1.403 1.00 53.23 H new ATOM 0 HA GLU A 29 9.507 -32.736 -1.604 1.00 43.45 H new ATOM 0 HB2 GLU A 29 11.474 -31.824 -2.839 1.00 12.05 H new ATOM 0 HB3 GLU A 29 9.941 -31.415 -3.584 1.00 12.05 H new ATOM 0 HG2 GLU A 29 10.042 -29.160 -2.541 1.00 62.14 H new ATOM 0 HG3 GLU A 29 11.582 -29.571 -1.811 1.00 62.14 H new ATOM 434 N ILE A 30 11.119 -32.835 0.260 1.00 61.41 N ATOM 435 CA ILE A 30 12.011 -32.931 1.409 1.00 52.11 C ATOM 436 C ILE A 30 13.174 -33.875 1.125 1.00 42.01 C ATOM 437 O ILE A 30 13.095 -34.759 0.271 1.00 12.34 O ATOM 438 CB ILE A 30 11.262 -33.419 2.663 1.00 25.43 C ATOM 439 CG1 ILE A 30 10.038 -34.245 2.264 1.00 60.41 C ATOM 440 CG2 ILE A 30 10.852 -32.237 3.529 1.00 75.54 C ATOM 441 CD1 ILE A 30 9.667 -35.305 3.278 1.00 65.34 C ATOM 0 H ILE A 30 10.797 -33.733 -0.100 1.00 61.41 H new ATOM 0 HA ILE A 30 12.397 -31.929 1.594 1.00 52.11 H new ATOM 0 HB ILE A 30 11.931 -34.054 3.243 1.00 25.43 H new ATOM 0 HG12 ILE A 30 9.189 -33.576 2.122 1.00 60.41 H new ATOM 0 HG13 ILE A 30 10.230 -34.724 1.304 1.00 60.41 H new ATOM 0 HG21 ILE A 30 10.324 -32.598 4.411 1.00 75.54 H new ATOM 0 HG22 ILE A 30 11.741 -31.687 3.838 1.00 75.54 H new ATOM 0 HG23 ILE A 30 10.197 -31.578 2.959 1.00 75.54 H new ATOM 0 HD11 ILE A 30 8.791 -35.851 2.929 1.00 65.34 H new ATOM 0 HD12 ILE A 30 10.500 -35.997 3.403 1.00 65.34 H new ATOM 0 HD13 ILE A 30 9.443 -34.832 4.234 1.00 65.34 H new ATOM 453 N PRO A 31 14.282 -33.687 1.858 1.00 55.40 N ATOM 454 CA PRO A 31 15.482 -34.513 1.705 1.00 64.22 C ATOM 455 C PRO A 31 15.274 -35.938 2.208 1.00 53.44 C ATOM 456 O PRO A 31 14.567 -36.162 3.190 1.00 54.20 O ATOM 457 CB PRO A 31 16.523 -33.790 2.564 1.00 72.03 C ATOM 458 CG PRO A 31 15.725 -33.047 3.579 1.00 42.41 C ATOM 459 CD PRO A 31 14.446 -32.652 2.893 1.00 24.42 C ATOM 0 HA PRO A 31 15.772 -34.620 0.660 1.00 64.22 H new ATOM 0 HB2 PRO A 31 17.206 -34.496 3.036 1.00 72.03 H new ATOM 0 HB3 PRO A 31 17.130 -33.112 1.964 1.00 72.03 H new ATOM 0 HG2 PRO A 31 15.524 -33.671 4.450 1.00 42.41 H new ATOM 0 HG3 PRO A 31 16.265 -32.169 3.933 1.00 42.41 H new ATOM 0 HD2 PRO A 31 13.605 -32.640 3.586 1.00 24.42 H new ATOM 0 HD3 PRO A 31 14.515 -31.655 2.458 1.00 24.42 H new ATOM 467 N SER A 32 15.894 -36.897 1.528 1.00 12.01 N ATOM 468 CA SER A 32 15.773 -38.301 1.904 1.00 11.44 C ATOM 469 C SER A 32 17.147 -38.954 2.013 1.00 23.14 C ATOM 470 O SER A 32 18.101 -38.529 1.363 1.00 3.52 O ATOM 471 CB SER A 32 14.918 -39.053 0.883 1.00 53.42 C ATOM 472 OG SER A 32 15.721 -39.608 -0.144 1.00 74.22 O ATOM 0 H SER A 32 16.485 -36.728 0.714 1.00 12.01 H new ATOM 0 HA SER A 32 15.288 -38.350 2.879 1.00 11.44 H new ATOM 0 HB2 SER A 32 14.362 -39.846 1.383 1.00 53.42 H new ATOM 0 HB3 SER A 32 14.184 -38.374 0.448 1.00 53.42 H new ATOM 0 HG SER A 32 16.326 -38.921 -0.493 1.00 74.22 H new ATOM 478 N GLU A 33 17.239 -39.991 2.841 1.00 52.25 N ATOM 479 CA GLU A 33 18.496 -40.703 3.036 1.00 43.34 C ATOM 480 C GLU A 33 19.043 -41.215 1.706 1.00 22.44 C ATOM 481 O GLU A 33 18.310 -41.328 0.723 1.00 5.44 O ATOM 482 CB GLU A 33 18.302 -41.871 4.004 1.00 34.12 C ATOM 483 CG GLU A 33 18.800 -41.585 5.411 1.00 72.11 C ATOM 484 CD GLU A 33 19.146 -42.848 6.175 1.00 32.23 C ATOM 485 OE1 GLU A 33 18.245 -43.405 6.838 1.00 64.43 O ATOM 486 OE2 GLU A 33 20.316 -43.279 6.112 1.00 71.13 O ATOM 0 H GLU A 33 16.458 -40.356 3.387 1.00 52.25 H new ATOM 0 HA GLU A 33 19.217 -40.005 3.461 1.00 43.34 H new ATOM 0 HB2 GLU A 33 17.243 -42.124 4.047 1.00 34.12 H new ATOM 0 HB3 GLU A 33 18.823 -42.745 3.614 1.00 34.12 H new ATOM 0 HG2 GLU A 33 19.680 -40.944 5.358 1.00 72.11 H new ATOM 0 HG3 GLU A 33 18.036 -41.032 5.957 1.00 72.11 H new ATOM 493 N ASP A 34 20.335 -41.524 1.685 1.00 71.42 N ATOM 494 CA ASP A 34 20.981 -42.026 0.477 1.00 1.44 C ATOM 495 C ASP A 34 20.415 -43.386 0.083 1.00 54.04 C ATOM 496 O ASP A 34 20.289 -43.697 -1.102 1.00 32.01 O ATOM 497 CB ASP A 34 22.492 -42.130 0.688 1.00 64.30 C ATOM 498 CG ASP A 34 22.856 -43.077 1.815 1.00 72.33 C ATOM 499 OD1 ASP A 34 22.776 -42.661 2.989 1.00 5.54 O ATOM 500 OD2 ASP A 34 23.219 -44.236 1.522 1.00 54.42 O ATOM 0 H ASP A 34 20.955 -41.436 2.490 1.00 71.42 H new ATOM 0 HA ASP A 34 20.782 -41.322 -0.331 1.00 1.44 H new ATOM 0 HB2 ASP A 34 22.962 -42.470 -0.235 1.00 64.30 H new ATOM 0 HB3 ASP A 34 22.895 -41.140 0.905 1.00 64.30 H new ATOM 505 N ASP A 35 20.076 -44.193 1.082 1.00 12.53 N ATOM 506 CA ASP A 35 19.523 -45.520 0.840 1.00 53.12 C ATOM 507 C ASP A 35 18.188 -45.427 0.107 1.00 11.11 C ATOM 508 O ASP A 35 17.734 -46.394 -0.503 1.00 21.34 O ATOM 509 CB ASP A 35 19.342 -46.270 2.161 1.00 43.33 C ATOM 510 CG ASP A 35 19.844 -47.698 2.089 1.00 63.43 C ATOM 511 OD1 ASP A 35 19.287 -48.484 1.293 1.00 2.03 O ATOM 512 OD2 ASP A 35 20.795 -48.031 2.827 1.00 52.31 O ATOM 0 H ASP A 35 20.175 -43.951 2.068 1.00 12.53 H new ATOM 0 HA ASP A 35 20.225 -46.070 0.212 1.00 53.12 H new ATOM 0 HB2 ASP A 35 19.873 -45.741 2.952 1.00 43.33 H new ATOM 0 HB3 ASP A 35 18.286 -46.272 2.433 1.00 43.33 H new ATOM 517 N GLY A 36 17.563 -44.255 0.172 1.00 32.14 N ATOM 518 CA GLY A 36 16.286 -44.058 -0.488 1.00 13.20 C ATOM 519 C GLY A 36 15.174 -43.727 0.487 1.00 13.55 C ATOM 520 O GLY A 36 14.225 -43.020 0.144 1.00 44.11 O ATOM 0 H GLY A 36 17.918 -43.439 0.670 1.00 32.14 H new ATOM 0 HA2 GLY A 36 16.378 -43.253 -1.217 1.00 13.20 H new ATOM 0 HA3 GLY A 36 16.023 -44.960 -1.041 1.00 13.20 H new ATOM 524 N THR A 37 15.288 -44.239 1.709 1.00 74.21 N ATOM 525 CA THR A 37 14.283 -43.996 2.736 1.00 30.53 C ATOM 526 C THR A 37 14.297 -42.540 3.186 1.00 52.13 C ATOM 527 O THR A 37 14.975 -41.702 2.590 1.00 34.41 O ATOM 528 CB THR A 37 14.503 -44.902 3.963 1.00 63.34 C ATOM 529 OG1 THR A 37 15.695 -44.511 4.653 1.00 0.41 O ATOM 530 CG2 THR A 37 14.609 -46.361 3.546 1.00 61.45 C ATOM 0 H THR A 37 16.067 -44.825 2.011 1.00 74.21 H new ATOM 0 HA THR A 37 13.315 -44.227 2.291 1.00 30.53 H new ATOM 0 HB THR A 37 13.646 -44.791 4.627 1.00 63.34 H new ATOM 0 HG1 THR A 37 16.176 -45.310 4.954 1.00 0.41 H new ATOM 0 HG21 THR A 37 14.764 -46.981 4.429 1.00 61.45 H new ATOM 0 HG22 THR A 37 13.689 -46.664 3.046 1.00 61.45 H new ATOM 0 HG23 THR A 37 15.450 -46.484 2.864 1.00 61.45 H new ATOM 538 N VAL A 38 13.545 -42.244 4.241 1.00 55.31 N ATOM 539 CA VAL A 38 13.472 -40.888 4.772 1.00 51.45 C ATOM 540 C VAL A 38 13.516 -40.891 6.295 1.00 10.34 C ATOM 541 O VAL A 38 12.785 -41.638 6.947 1.00 12.42 O ATOM 542 CB VAL A 38 12.190 -40.171 4.307 1.00 33.35 C ATOM 543 CG1 VAL A 38 12.012 -38.858 5.054 1.00 51.34 C ATOM 544 CG2 VAL A 38 12.224 -39.940 2.804 1.00 14.23 C ATOM 0 H VAL A 38 12.977 -42.925 4.745 1.00 55.31 H new ATOM 0 HA VAL A 38 14.339 -40.351 4.388 1.00 51.45 H new ATOM 0 HB VAL A 38 11.335 -40.808 4.533 1.00 33.35 H new ATOM 0 HG11 VAL A 38 11.102 -38.366 4.712 1.00 51.34 H new ATOM 0 HG12 VAL A 38 11.939 -39.055 6.124 1.00 51.34 H new ATOM 0 HG13 VAL A 38 12.868 -38.211 4.862 1.00 51.34 H new ATOM 0 HG21 VAL A 38 11.311 -39.433 2.493 1.00 14.23 H new ATOM 0 HG22 VAL A 38 13.086 -39.323 2.550 1.00 14.23 H new ATOM 0 HG23 VAL A 38 12.299 -40.898 2.290 1.00 14.23 H new ATOM 554 N LEU A 39 14.378 -40.051 6.858 1.00 13.04 N ATOM 555 CA LEU A 39 14.518 -39.956 8.307 1.00 14.43 C ATOM 556 C LEU A 39 13.266 -39.351 8.937 1.00 65.14 C ATOM 557 O LEU A 39 12.742 -38.345 8.457 1.00 13.15 O ATOM 558 CB LEU A 39 15.742 -39.112 8.667 1.00 52.32 C ATOM 559 CG LEU A 39 16.798 -39.797 9.535 1.00 52.12 C ATOM 560 CD1 LEU A 39 16.251 -40.066 10.928 1.00 31.20 C ATOM 561 CD2 LEU A 39 17.266 -41.091 8.884 1.00 15.42 C ATOM 0 H LEU A 39 14.990 -39.426 6.333 1.00 13.04 H new ATOM 0 HA LEU A 39 14.650 -40.964 8.701 1.00 14.43 H new ATOM 0 HB2 LEU A 39 16.217 -38.785 7.742 1.00 52.32 H new ATOM 0 HB3 LEU A 39 15.401 -38.216 9.185 1.00 52.32 H new ATOM 0 HG LEU A 39 17.655 -39.129 9.626 1.00 52.12 H new ATOM 0 HD11 LEU A 39 17.016 -40.554 11.532 1.00 31.20 H new ATOM 0 HD12 LEU A 39 15.966 -39.123 11.395 1.00 31.20 H new ATOM 0 HD13 LEU A 39 15.377 -40.714 10.857 1.00 31.20 H new ATOM 0 HD21 LEU A 39 18.017 -41.565 9.516 1.00 15.42 H new ATOM 0 HD22 LEU A 39 16.418 -41.764 8.762 1.00 15.42 H new ATOM 0 HD23 LEU A 39 17.699 -40.871 7.908 1.00 15.42 H new ATOM 573 N LEU A 40 12.794 -39.969 10.013 1.00 24.53 N ATOM 574 CA LEU A 40 11.606 -39.491 10.711 1.00 74.33 C ATOM 575 C LEU A 40 11.710 -37.998 11.005 1.00 64.25 C ATOM 576 O LEU A 40 10.729 -37.263 10.893 1.00 65.04 O ATOM 577 CB LEU A 40 11.409 -40.267 12.014 1.00 14.34 C ATOM 578 CG LEU A 40 10.059 -40.080 12.709 1.00 61.21 C ATOM 579 CD1 LEU A 40 8.918 -40.365 11.744 1.00 25.12 C ATOM 580 CD2 LEU A 40 9.961 -40.978 13.934 1.00 40.04 C ATOM 0 H LEU A 40 13.216 -40.803 10.422 1.00 24.53 H new ATOM 0 HA LEU A 40 10.744 -39.655 10.064 1.00 74.33 H new ATOM 0 HB2 LEU A 40 11.544 -41.328 11.805 1.00 14.34 H new ATOM 0 HB3 LEU A 40 12.196 -39.976 12.709 1.00 14.34 H new ATOM 0 HG LEU A 40 9.981 -39.043 13.036 1.00 61.21 H new ATOM 0 HD11 LEU A 40 7.966 -40.227 12.256 1.00 25.12 H new ATOM 0 HD12 LEU A 40 8.978 -39.681 10.898 1.00 25.12 H new ATOM 0 HD13 LEU A 40 8.992 -41.392 11.386 1.00 25.12 H new ATOM 0 HD21 LEU A 40 8.994 -40.832 14.416 1.00 40.04 H new ATOM 0 HD22 LEU A 40 10.061 -42.020 13.630 1.00 40.04 H new ATOM 0 HD23 LEU A 40 10.757 -40.726 14.634 1.00 40.04 H new ATOM 592 N SER A 41 12.907 -37.556 11.379 1.00 72.51 N ATOM 593 CA SER A 41 13.140 -36.151 11.690 1.00 32.13 C ATOM 594 C SER A 41 12.633 -35.254 10.565 1.00 63.11 C ATOM 595 O SER A 41 12.144 -34.150 10.807 1.00 73.25 O ATOM 596 CB SER A 41 14.630 -35.900 11.927 1.00 42.52 C ATOM 597 OG SER A 41 14.831 -35.003 13.006 1.00 22.40 O ATOM 0 H SER A 41 13.730 -38.151 11.474 1.00 72.51 H new ATOM 0 HA SER A 41 12.589 -35.909 12.599 1.00 32.13 H new ATOM 0 HB2 SER A 41 15.132 -36.844 12.137 1.00 42.52 H new ATOM 0 HB3 SER A 41 15.082 -35.493 11.022 1.00 42.52 H new ATOM 0 HG SER A 41 15.792 -34.860 13.138 1.00 22.40 H new ATOM 603 N THR A 42 12.755 -35.737 9.332 1.00 53.51 N ATOM 604 CA THR A 42 12.311 -34.980 8.168 1.00 2.21 C ATOM 605 C THR A 42 10.790 -34.971 8.065 1.00 4.40 C ATOM 606 O THR A 42 10.178 -33.922 7.864 1.00 11.21 O ATOM 607 CB THR A 42 12.899 -35.556 6.866 1.00 2.21 C ATOM 608 OG1 THR A 42 14.329 -35.564 6.936 1.00 44.11 O ATOM 609 CG2 THR A 42 12.450 -34.741 5.663 1.00 72.25 C ATOM 0 H THR A 42 13.157 -36.649 9.114 1.00 53.51 H new ATOM 0 HA THR A 42 12.669 -33.959 8.300 1.00 2.21 H new ATOM 0 HB THR A 42 12.536 -36.577 6.750 1.00 2.21 H new ATOM 0 HG1 THR A 42 14.695 -35.933 6.105 1.00 44.11 H new ATOM 0 HG21 THR A 42 12.878 -35.167 4.755 1.00 72.25 H new ATOM 0 HG22 THR A 42 11.362 -34.761 5.596 1.00 72.25 H new ATOM 0 HG23 THR A 42 12.788 -33.711 5.775 1.00 72.25 H new ATOM 617 N VAL A 43 10.185 -36.146 8.205 1.00 43.04 N ATOM 618 CA VAL A 43 8.735 -36.273 8.129 1.00 12.20 C ATOM 619 C VAL A 43 8.048 -35.309 9.090 1.00 20.45 C ATOM 620 O VAL A 43 6.985 -34.765 8.789 1.00 62.10 O ATOM 621 CB VAL A 43 8.280 -37.710 8.447 1.00 13.50 C ATOM 622 CG1 VAL A 43 6.837 -37.718 8.930 1.00 25.44 C ATOM 623 CG2 VAL A 43 8.447 -38.603 7.227 1.00 24.35 C ATOM 0 H VAL A 43 10.677 -37.024 8.372 1.00 43.04 H new ATOM 0 HA VAL A 43 8.449 -36.027 7.106 1.00 12.20 H new ATOM 0 HB VAL A 43 8.908 -38.104 9.246 1.00 13.50 H new ATOM 0 HG11 VAL A 43 6.533 -38.741 9.150 1.00 25.44 H new ATOM 0 HG12 VAL A 43 6.752 -37.112 9.832 1.00 25.44 H new ATOM 0 HG13 VAL A 43 6.191 -37.306 8.154 1.00 25.44 H new ATOM 0 HG21 VAL A 43 8.121 -39.615 7.469 1.00 24.35 H new ATOM 0 HG22 VAL A 43 7.844 -38.214 6.406 1.00 24.35 H new ATOM 0 HG23 VAL A 43 9.496 -38.621 6.930 1.00 24.35 H new ATOM 633 N THR A 44 8.662 -35.102 10.251 1.00 45.50 N ATOM 634 CA THR A 44 8.111 -34.204 11.258 1.00 73.00 C ATOM 635 C THR A 44 8.298 -32.745 10.856 1.00 33.53 C ATOM 636 O THR A 44 7.541 -31.873 11.281 1.00 73.12 O ATOM 637 CB THR A 44 8.764 -34.434 12.634 1.00 43.42 C ATOM 638 OG1 THR A 44 10.094 -33.903 12.639 1.00 1.41 O ATOM 639 CG2 THR A 44 8.803 -35.916 12.974 1.00 42.12 C ATOM 0 H THR A 44 9.542 -35.545 10.517 1.00 45.50 H new ATOM 0 HA THR A 44 7.046 -34.424 11.329 1.00 73.00 H new ATOM 0 HB THR A 44 8.165 -33.921 13.386 1.00 43.42 H new ATOM 0 HG1 THR A 44 10.563 -34.189 11.827 1.00 1.41 H new ATOM 0 HG21 THR A 44 9.268 -36.053 13.950 1.00 42.12 H new ATOM 0 HG22 THR A 44 7.787 -36.311 12.998 1.00 42.12 H new ATOM 0 HG23 THR A 44 9.381 -36.448 12.218 1.00 42.12 H new ATOM 647 N ALA A 45 9.310 -32.488 10.035 1.00 42.11 N ATOM 648 CA ALA A 45 9.595 -31.135 9.574 1.00 55.33 C ATOM 649 C ALA A 45 8.332 -30.455 9.054 1.00 20.14 C ATOM 650 O ALA A 45 8.036 -29.317 9.417 1.00 52.02 O ATOM 651 CB ALA A 45 10.665 -31.159 8.493 1.00 24.52 C ATOM 0 H ALA A 45 9.947 -33.199 9.675 1.00 42.11 H new ATOM 0 HA ALA A 45 9.964 -30.560 10.423 1.00 55.33 H new ATOM 0 HB1 ALA A 45 10.867 -30.141 8.159 1.00 24.52 H new ATOM 0 HB2 ALA A 45 11.579 -31.597 8.895 1.00 24.52 H new ATOM 0 HB3 ALA A 45 10.317 -31.756 7.650 1.00 24.52 H new ATOM 657 N GLN A 46 7.593 -31.160 8.204 1.00 62.21 N ATOM 658 CA GLN A 46 6.363 -30.623 7.634 1.00 2.11 C ATOM 659 C GLN A 46 5.140 -31.309 8.234 1.00 63.34 C ATOM 660 O GLN A 46 4.089 -30.692 8.401 1.00 14.40 O ATOM 661 CB GLN A 46 6.364 -30.792 6.114 1.00 72.51 C ATOM 662 CG GLN A 46 7.757 -30.839 5.508 1.00 60.35 C ATOM 663 CD GLN A 46 8.196 -32.249 5.163 1.00 44.31 C ATOM 664 OE1 GLN A 46 9.077 -32.813 5.813 1.00 34.41 O ATOM 665 NE2 GLN A 46 7.584 -32.825 4.135 1.00 22.44 N ATOM 0 H GLN A 46 7.824 -32.104 7.895 1.00 62.21 H new ATOM 0 HA GLN A 46 6.315 -29.561 7.874 1.00 2.11 H new ATOM 0 HB2 GLN A 46 5.835 -31.710 5.859 1.00 72.51 H new ATOM 0 HB3 GLN A 46 5.809 -29.968 5.665 1.00 72.51 H new ATOM 0 HG2 GLN A 46 7.778 -30.225 4.607 1.00 60.35 H new ATOM 0 HG3 GLN A 46 8.469 -30.402 6.208 1.00 60.35 H new ATOM 0 HE21 GLN A 46 6.859 -32.320 3.625 1.00 22.44 H new ATOM 0 HE22 GLN A 46 7.839 -33.772 3.856 1.00 22.44 H new ATOM 674 N PHE A 47 5.285 -32.591 8.555 1.00 43.31 N ATOM 675 CA PHE A 47 4.192 -33.362 9.135 1.00 51.22 C ATOM 676 C PHE A 47 4.508 -33.756 10.575 1.00 52.43 C ATOM 677 O PHE A 47 4.818 -34.908 10.876 1.00 31.30 O ATOM 678 CB PHE A 47 3.924 -34.615 8.299 1.00 51.14 C ATOM 679 CG PHE A 47 4.255 -34.447 6.843 1.00 2.33 C ATOM 680 CD1 PHE A 47 5.105 -35.336 6.205 1.00 12.13 C ATOM 681 CD2 PHE A 47 3.717 -33.399 6.113 1.00 5.25 C ATOM 682 CE1 PHE A 47 5.412 -35.184 4.866 1.00 34.21 C ATOM 683 CE2 PHE A 47 4.020 -33.242 4.774 1.00 22.31 C ATOM 684 CZ PHE A 47 4.869 -34.135 4.150 1.00 62.21 C ATOM 0 H PHE A 47 6.149 -33.117 8.423 1.00 43.31 H new ATOM 0 HA PHE A 47 3.300 -32.736 9.136 1.00 51.22 H new ATOM 0 HB2 PHE A 47 4.507 -35.443 8.703 1.00 51.14 H new ATOM 0 HB3 PHE A 47 2.873 -34.888 8.395 1.00 51.14 H new ATOM 0 HD1 PHE A 47 5.533 -36.157 6.761 1.00 12.13 H new ATOM 0 HD2 PHE A 47 3.053 -32.697 6.596 1.00 5.25 H new ATOM 0 HE1 PHE A 47 6.075 -35.884 4.380 1.00 34.21 H new ATOM 0 HE2 PHE A 47 3.593 -32.422 4.216 1.00 22.31 H new ATOM 0 HZ PHE A 47 5.108 -34.013 3.104 1.00 62.21 H new ATOM 694 N PRO A 48 4.428 -32.775 11.487 1.00 63.23 N ATOM 695 CA PRO A 48 4.702 -32.994 12.910 1.00 10.01 C ATOM 696 C PRO A 48 3.628 -33.841 13.583 1.00 34.04 C ATOM 697 O PRO A 48 2.436 -33.560 13.464 1.00 50.41 O ATOM 698 CB PRO A 48 4.709 -31.578 13.492 1.00 61.14 C ATOM 699 CG PRO A 48 3.857 -30.783 12.564 1.00 74.21 C ATOM 700 CD PRO A 48 4.065 -31.378 11.198 1.00 15.35 C ATOM 0 HA PRO A 48 5.633 -33.539 13.067 1.00 10.01 H new ATOM 0 HB2 PRO A 48 4.309 -31.565 14.506 1.00 61.14 H new ATOM 0 HB3 PRO A 48 5.721 -31.176 13.543 1.00 61.14 H new ATOM 0 HG2 PRO A 48 2.808 -30.834 12.856 1.00 74.21 H new ATOM 0 HG3 PRO A 48 4.141 -29.731 12.579 1.00 74.21 H new ATOM 0 HD2 PRO A 48 3.162 -31.315 10.590 1.00 15.35 H new ATOM 0 HD3 PRO A 48 4.854 -30.862 10.651 1.00 15.35 H new ATOM 708 N GLY A 49 4.058 -34.880 14.293 1.00 73.44 N ATOM 709 CA GLY A 49 3.119 -35.752 14.975 1.00 64.21 C ATOM 710 C GLY A 49 2.718 -36.945 14.131 1.00 75.32 C ATOM 711 O GLY A 49 2.351 -37.994 14.661 1.00 52.33 O ATOM 0 H GLY A 49 5.039 -35.133 14.408 1.00 73.44 H new ATOM 0 HA2 GLY A 49 3.564 -36.103 15.906 1.00 64.21 H new ATOM 0 HA3 GLY A 49 2.228 -35.184 15.242 1.00 64.21 H new ATOM 715 N ALA A 50 2.785 -36.786 12.813 1.00 12.41 N ATOM 716 CA ALA A 50 2.425 -37.858 11.894 1.00 23.42 C ATOM 717 C ALA A 50 3.128 -39.159 12.267 1.00 20.33 C ATOM 718 O ALA A 50 4.335 -39.175 12.514 1.00 35.43 O ATOM 719 CB ALA A 50 2.764 -37.464 10.464 1.00 25.33 C ATOM 0 H ALA A 50 3.086 -35.924 12.358 1.00 12.41 H new ATOM 0 HA ALA A 50 1.350 -38.022 11.969 1.00 23.42 H new ATOM 0 HB1 ALA A 50 2.490 -38.274 9.789 1.00 25.33 H new ATOM 0 HB2 ALA A 50 2.212 -36.564 10.194 1.00 25.33 H new ATOM 0 HB3 ALA A 50 3.834 -37.271 10.384 1.00 25.33 H new ATOM 725 N CYS A 51 2.367 -40.247 12.307 1.00 73.00 N ATOM 726 CA CYS A 51 2.917 -41.553 12.652 1.00 72.22 C ATOM 727 C CYS A 51 3.149 -42.393 11.400 1.00 35.31 C ATOM 728 O CYS A 51 4.143 -43.110 11.296 1.00 2.31 O ATOM 729 CB CYS A 51 1.977 -42.289 13.608 1.00 61.20 C ATOM 730 SG CYS A 51 2.746 -43.677 14.476 1.00 55.03 S ATOM 0 H CYS A 51 1.367 -40.251 12.105 1.00 73.00 H new ATOM 0 HA CYS A 51 3.876 -41.397 13.146 1.00 72.22 H new ATOM 0 HB2 CYS A 51 1.596 -41.580 14.344 1.00 61.20 H new ATOM 0 HB3 CYS A 51 1.119 -42.657 13.045 1.00 61.20 H new ATOM 0 HG CYS A 51 1.873 -44.234 15.262 1.00 55.03 H new ATOM 736 N GLY A 52 2.221 -42.301 10.451 1.00 3.15 N ATOM 737 CA GLY A 52 2.342 -43.059 9.220 1.00 50.01 C ATOM 738 C GLY A 52 1.779 -42.316 8.024 1.00 22.34 C ATOM 739 O GLY A 52 0.826 -41.547 8.154 1.00 33.32 O ATOM 0 H GLY A 52 1.388 -41.715 10.514 1.00 3.15 H new ATOM 0 HA2 GLY A 52 3.392 -43.288 9.040 1.00 50.01 H new ATOM 0 HA3 GLY A 52 1.822 -44.011 9.330 1.00 50.01 H new ATOM 743 N LEU A 53 2.370 -42.544 6.857 1.00 43.13 N ATOM 744 CA LEU A 53 1.923 -41.889 5.632 1.00 21.02 C ATOM 745 C LEU A 53 1.366 -42.907 4.642 1.00 21.14 C ATOM 746 O LEU A 53 1.872 -44.024 4.535 1.00 21.32 O ATOM 747 CB LEU A 53 3.078 -41.117 4.992 1.00 24.50 C ATOM 748 CG LEU A 53 3.916 -40.256 5.938 1.00 51.02 C ATOM 749 CD1 LEU A 53 3.031 -39.600 6.986 1.00 2.43 C ATOM 750 CD2 LEU A 53 5.001 -41.092 6.601 1.00 41.14 C ATOM 0 H LEU A 53 3.160 -43.177 6.732 1.00 43.13 H new ATOM 0 HA LEU A 53 1.128 -41.191 5.892 1.00 21.02 H new ATOM 0 HB2 LEU A 53 3.739 -41.832 4.502 1.00 24.50 H new ATOM 0 HB3 LEU A 53 2.671 -40.474 4.212 1.00 24.50 H new ATOM 0 HG LEU A 53 4.397 -39.471 5.354 1.00 51.02 H new ATOM 0 HD11 LEU A 53 3.644 -38.991 7.651 1.00 2.43 H new ATOM 0 HD12 LEU A 53 2.292 -38.968 6.494 1.00 2.43 H new ATOM 0 HD13 LEU A 53 2.522 -40.370 7.566 1.00 2.43 H new ATOM 0 HD21 LEU A 53 5.587 -40.463 7.271 1.00 41.14 H new ATOM 0 HD22 LEU A 53 4.541 -41.899 7.172 1.00 41.14 H new ATOM 0 HD23 LEU A 53 5.653 -41.514 5.836 1.00 41.14 H new ATOM 762 N ARG A 54 0.323 -42.513 3.920 1.00 50.44 N ATOM 763 CA ARG A 54 -0.302 -43.390 2.938 1.00 61.44 C ATOM 764 C ARG A 54 0.049 -42.955 1.518 1.00 53.41 C ATOM 765 O ARG A 54 0.545 -41.849 1.302 1.00 44.12 O ATOM 766 CB ARG A 54 -1.821 -43.396 3.120 1.00 2.14 C ATOM 767 CG ARG A 54 -2.442 -44.779 3.010 1.00 14.55 C ATOM 768 CD ARG A 54 -2.810 -45.334 4.377 1.00 31.34 C ATOM 769 NE ARG A 54 -1.738 -46.148 4.944 1.00 4.41 N ATOM 770 CZ ARG A 54 -1.487 -47.397 4.570 1.00 32.44 C ATOM 771 NH1 ARG A 54 -2.228 -47.974 3.634 1.00 34.15 N ATOM 772 NH2 ARG A 54 -0.493 -48.073 5.133 1.00 52.11 N ATOM 0 H ARG A 54 -0.107 -41.591 3.997 1.00 50.44 H new ATOM 0 HA ARG A 54 0.080 -44.399 3.095 1.00 61.44 H new ATOM 0 HB2 ARG A 54 -2.063 -42.975 4.096 1.00 2.14 H new ATOM 0 HB3 ARG A 54 -2.271 -42.744 2.371 1.00 2.14 H new ATOM 0 HG2 ARG A 54 -3.333 -44.730 2.384 1.00 14.55 H new ATOM 0 HG3 ARG A 54 -1.743 -45.455 2.518 1.00 14.55 H new ATOM 0 HD2 ARG A 54 -3.036 -44.510 5.054 1.00 31.34 H new ATOM 0 HD3 ARG A 54 -3.715 -45.935 4.293 1.00 31.34 H new ATOM 0 HE ARG A 54 -1.150 -45.734 5.667 1.00 4.41 H new ATOM 0 HH11 ARG A 54 -2.993 -47.458 3.199 1.00 34.15 H new ATOM 0 HH12 ARG A 54 -2.033 -48.934 3.349 1.00 34.15 H new ATOM 0 HH21 ARG A 54 0.079 -47.633 5.854 1.00 52.11 H new ATOM 0 HH22 ARG A 54 -0.301 -49.032 4.845 1.00 52.11 H new ATOM 786 N TYR A 55 -0.213 -43.831 0.554 1.00 3.33 N ATOM 787 CA TYR A 55 0.078 -43.538 -0.844 1.00 52.13 C ATOM 788 C TYR A 55 -1.201 -43.208 -1.609 1.00 24.02 C ATOM 789 O TYR A 55 -2.171 -43.965 -1.574 1.00 62.10 O ATOM 790 CB TYR A 55 0.785 -44.725 -1.499 1.00 60.54 C ATOM 791 CG TYR A 55 2.196 -44.418 -1.948 1.00 53.33 C ATOM 792 CD1 TYR A 55 2.443 -43.448 -2.913 1.00 33.33 C ATOM 793 CD2 TYR A 55 3.281 -45.097 -1.409 1.00 43.41 C ATOM 794 CE1 TYR A 55 3.730 -43.164 -3.327 1.00 33.05 C ATOM 795 CE2 TYR A 55 4.572 -44.818 -1.816 1.00 13.13 C ATOM 796 CZ TYR A 55 4.791 -43.851 -2.775 1.00 32.12 C ATOM 797 OH TYR A 55 6.075 -43.572 -3.184 1.00 13.44 O ATOM 0 H TYR A 55 -0.626 -44.749 0.715 1.00 3.33 H new ATOM 0 HA TYR A 55 0.735 -42.669 -0.878 1.00 52.13 H new ATOM 0 HB2 TYR A 55 0.810 -45.556 -0.794 1.00 60.54 H new ATOM 0 HB3 TYR A 55 0.203 -45.054 -2.360 1.00 60.54 H new ATOM 0 HD1 TYR A 55 1.615 -42.907 -3.346 1.00 33.33 H new ATOM 0 HD2 TYR A 55 3.113 -45.856 -0.659 1.00 43.41 H new ATOM 0 HE1 TYR A 55 3.904 -42.408 -4.079 1.00 33.05 H new ATOM 0 HE2 TYR A 55 5.405 -45.354 -1.386 1.00 13.13 H new ATOM 0 HH TYR A 55 6.093 -42.703 -3.636 1.00 13.44 H new ATOM 807 N ARG A 56 -1.193 -42.073 -2.299 1.00 40.53 N ATOM 808 CA ARG A 56 -2.351 -41.641 -3.072 1.00 51.34 C ATOM 809 C ARG A 56 -1.952 -41.302 -4.506 1.00 12.22 C ATOM 810 O ARG A 56 -1.438 -40.218 -4.777 1.00 64.04 O ATOM 811 CB ARG A 56 -3.007 -40.426 -2.413 1.00 43.24 C ATOM 812 CG ARG A 56 -3.897 -39.629 -3.353 1.00 63.24 C ATOM 813 CD ARG A 56 -4.931 -40.517 -4.028 1.00 23.32 C ATOM 814 NE ARG A 56 -5.677 -39.802 -5.059 1.00 74.11 N ATOM 815 CZ ARG A 56 -6.876 -40.177 -5.492 1.00 11.22 C ATOM 816 NH1 ARG A 56 -7.461 -41.253 -4.985 1.00 21.24 N ATOM 817 NH2 ARG A 56 -7.493 -39.474 -6.433 1.00 45.04 N ATOM 0 H ARG A 56 -0.398 -41.436 -2.339 1.00 40.53 H new ATOM 0 HA ARG A 56 -3.067 -42.463 -3.097 1.00 51.34 H new ATOM 0 HB2 ARG A 56 -3.600 -40.761 -1.562 1.00 43.24 H new ATOM 0 HB3 ARG A 56 -2.228 -39.771 -2.021 1.00 43.24 H new ATOM 0 HG2 ARG A 56 -4.402 -38.840 -2.796 1.00 63.24 H new ATOM 0 HG3 ARG A 56 -3.284 -39.142 -4.111 1.00 63.24 H new ATOM 0 HD2 ARG A 56 -4.434 -41.379 -4.473 1.00 23.32 H new ATOM 0 HD3 ARG A 56 -5.624 -40.900 -3.279 1.00 23.32 H new ATOM 0 HE ARG A 56 -5.255 -38.969 -5.469 1.00 74.11 H new ATOM 0 HH11 ARG A 56 -6.991 -41.796 -4.260 1.00 21.24 H new ATOM 0 HH12 ARG A 56 -8.381 -41.538 -5.319 1.00 21.24 H new ATOM 0 HH21 ARG A 56 -7.047 -38.645 -6.825 1.00 45.04 H new ATOM 0 HH22 ARG A 56 -8.413 -39.763 -6.765 1.00 45.04 H new ATOM 831 N ASN A 57 -2.193 -42.237 -5.419 1.00 34.45 N ATOM 832 CA ASN A 57 -1.858 -42.038 -6.824 1.00 34.41 C ATOM 833 C ASN A 57 -3.118 -41.999 -7.683 1.00 55.41 C ATOM 834 O ASN A 57 -4.037 -42.802 -7.520 1.00 10.15 O ATOM 835 CB ASN A 57 -0.930 -43.153 -7.311 1.00 53.12 C ATOM 836 CG ASN A 57 0.526 -42.874 -6.991 1.00 74.21 C ATOM 837 OD1 ASN A 57 0.981 -43.103 -5.871 1.00 1.05 O ATOM 838 ND2 ASN A 57 1.263 -42.377 -7.977 1.00 63.21 N ATOM 0 H ASN A 57 -2.619 -43.140 -5.211 1.00 34.45 H new ATOM 0 HA ASN A 57 -1.346 -41.081 -6.918 1.00 34.41 H new ATOM 0 HB2 ASN A 57 -1.226 -44.096 -6.851 1.00 53.12 H new ATOM 0 HB3 ASN A 57 -1.046 -43.274 -8.388 1.00 53.12 H new ATOM 0 HD21 ASN A 57 2.249 -42.169 -7.822 1.00 63.21 H new ATOM 0 HD22 ASN A 57 0.843 -42.203 -8.890 1.00 63.21 H new ATOM 962 N VAL A 66 3.340 -45.937 2.111 1.00 0.44 N ATOM 963 CA VAL A 66 4.704 -45.676 2.556 1.00 31.42 C ATOM 964 C VAL A 66 5.057 -46.526 3.772 1.00 50.30 C ATOM 965 O VAL A 66 4.511 -46.330 4.858 1.00 23.11 O ATOM 966 CB VAL A 66 4.906 -44.190 2.906 1.00 64.13 C ATOM 967 CG1 VAL A 66 6.321 -43.948 3.409 1.00 43.42 C ATOM 968 CG2 VAL A 66 4.603 -43.314 1.700 1.00 50.41 C ATOM 0 HA VAL A 66 5.363 -45.939 1.728 1.00 31.42 H new ATOM 0 HB VAL A 66 4.212 -43.924 3.703 1.00 64.13 H new ATOM 0 HG11 VAL A 66 6.445 -42.893 3.651 1.00 43.42 H new ATOM 0 HG12 VAL A 66 6.498 -44.549 4.301 1.00 43.42 H new ATOM 0 HG13 VAL A 66 7.035 -44.229 2.635 1.00 43.42 H new ATOM 0 HG21 VAL A 66 4.751 -42.267 1.965 1.00 50.41 H new ATOM 0 HG22 VAL A 66 5.271 -43.579 0.881 1.00 50.41 H new ATOM 0 HG23 VAL A 66 3.570 -43.467 1.389 1.00 50.41 H new ATOM 978 N ARG A 67 5.973 -47.469 3.582 1.00 65.21 N ATOM 979 CA ARG A 67 6.399 -48.350 4.663 1.00 4.51 C ATOM 980 C ARG A 67 7.163 -47.570 5.730 1.00 34.21 C ATOM 981 O ARG A 67 7.945 -46.671 5.417 1.00 35.24 O ATOM 982 CB ARG A 67 7.276 -49.478 4.116 1.00 53.43 C ATOM 983 CG ARG A 67 7.862 -50.372 5.196 1.00 72.34 C ATOM 984 CD ARG A 67 6.777 -51.148 5.926 1.00 73.22 C ATOM 985 NE ARG A 67 7.048 -51.253 7.357 1.00 73.20 N ATOM 986 CZ ARG A 67 6.315 -51.981 8.192 1.00 13.23 C ATOM 987 NH1 ARG A 67 5.272 -52.664 7.741 1.00 32.14 N ATOM 988 NH2 ARG A 67 6.625 -52.026 9.482 1.00 73.23 N ATOM 0 H ARG A 67 6.435 -47.643 2.689 1.00 65.21 H new ATOM 0 HA ARG A 67 5.508 -48.781 5.119 1.00 4.51 H new ATOM 0 HB2 ARG A 67 6.685 -50.088 3.433 1.00 53.43 H new ATOM 0 HB3 ARG A 67 8.089 -49.045 3.534 1.00 53.43 H new ATOM 0 HG2 ARG A 67 8.571 -51.069 4.748 1.00 72.34 H new ATOM 0 HG3 ARG A 67 8.419 -49.765 5.909 1.00 72.34 H new ATOM 0 HD2 ARG A 67 5.816 -50.657 5.774 1.00 73.22 H new ATOM 0 HD3 ARG A 67 6.696 -52.147 5.498 1.00 73.22 H new ATOM 0 HE ARG A 67 7.844 -50.739 7.736 1.00 73.20 H new ATOM 0 HH11 ARG A 67 5.031 -52.631 6.751 1.00 32.14 H new ATOM 0 HH12 ARG A 67 4.711 -53.222 8.385 1.00 32.14 H new ATOM 0 HH21 ARG A 67 7.426 -51.501 9.833 1.00 73.23 H new ATOM 0 HH22 ARG A 67 6.062 -52.585 10.123 1.00 73.23 H new ATOM 1002 N LEU A 68 6.930 -47.920 6.990 1.00 1.04 N ATOM 1003 CA LEU A 68 7.595 -47.253 8.105 1.00 61.34 C ATOM 1004 C LEU A 68 8.281 -48.267 9.015 1.00 73.10 C ATOM 1005 O LEU A 68 7.642 -49.181 9.536 1.00 74.53 O ATOM 1006 CB LEU A 68 6.586 -46.430 8.907 1.00 4.04 C ATOM 1007 CG LEU A 68 7.125 -45.751 10.167 1.00 23.11 C ATOM 1008 CD1 LEU A 68 7.121 -46.720 11.339 1.00 15.13 C ATOM 1009 CD2 LEU A 68 8.527 -45.212 9.924 1.00 5.01 C ATOM 0 H LEU A 68 6.286 -48.661 7.266 1.00 1.04 H new ATOM 0 HA LEU A 68 8.355 -46.587 7.697 1.00 61.34 H new ATOM 0 HB2 LEU A 68 6.172 -45.662 8.253 1.00 4.04 H new ATOM 0 HB3 LEU A 68 5.761 -47.082 9.194 1.00 4.04 H new ATOM 0 HG LEU A 68 6.472 -44.913 10.412 1.00 23.11 H new ATOM 0 HD11 LEU A 68 7.508 -46.219 12.226 1.00 15.13 H new ATOM 0 HD12 LEU A 68 6.102 -47.058 11.528 1.00 15.13 H new ATOM 0 HD13 LEU A 68 7.750 -47.578 11.104 1.00 15.13 H new ATOM 0 HD21 LEU A 68 8.895 -44.732 10.831 1.00 5.01 H new ATOM 0 HD22 LEU A 68 9.191 -46.033 9.653 1.00 5.01 H new ATOM 0 HD23 LEU A 68 8.501 -44.484 9.113 1.00 5.01 H new ATOM 1021 N VAL A 69 9.585 -48.097 9.204 1.00 24.54 N ATOM 1022 CA VAL A 69 10.358 -48.995 10.055 1.00 74.42 C ATOM 1023 C VAL A 69 11.380 -48.225 10.883 1.00 54.32 C ATOM 1024 O VAL A 69 12.278 -47.584 10.338 1.00 71.31 O ATOM 1025 CB VAL A 69 11.089 -50.066 9.223 1.00 41.41 C ATOM 1026 CG1 VAL A 69 11.877 -49.418 8.094 1.00 21.33 C ATOM 1027 CG2 VAL A 69 12.001 -50.899 10.111 1.00 74.00 C ATOM 0 H VAL A 69 10.129 -47.346 8.780 1.00 24.54 H new ATOM 0 HA VAL A 69 9.650 -49.485 10.723 1.00 74.42 H new ATOM 0 HB VAL A 69 10.345 -50.729 8.781 1.00 41.41 H new ATOM 0 HG11 VAL A 69 12.387 -50.189 7.517 1.00 21.33 H new ATOM 0 HG12 VAL A 69 11.196 -48.869 7.444 1.00 21.33 H new ATOM 0 HG13 VAL A 69 12.613 -48.731 8.512 1.00 21.33 H new ATOM 0 HG21 VAL A 69 12.509 -51.651 9.507 1.00 74.00 H new ATOM 0 HG22 VAL A 69 12.740 -50.251 10.583 1.00 74.00 H new ATOM 0 HG23 VAL A 69 11.408 -51.393 10.881 1.00 74.00 H new ATOM 1037 N GLU A 70 11.236 -48.292 12.203 1.00 52.03 N ATOM 1038 CA GLU A 70 12.147 -47.600 13.106 1.00 2.51 C ATOM 1039 C GLU A 70 12.062 -46.088 12.912 1.00 61.32 C ATOM 1040 O GLU A 70 13.023 -45.364 13.165 1.00 4.24 O ATOM 1041 CB GLU A 70 13.584 -48.074 12.879 1.00 41.22 C ATOM 1042 CG GLU A 70 13.720 -49.585 12.790 1.00 14.41 C ATOM 1043 CD GLU A 70 14.818 -50.125 13.685 1.00 71.42 C ATOM 1044 OE1 GLU A 70 14.593 -51.167 14.335 1.00 32.55 O ATOM 1045 OE2 GLU A 70 15.902 -49.507 13.735 1.00 75.12 O ATOM 0 H GLU A 70 10.498 -48.818 12.670 1.00 52.03 H new ATOM 0 HA GLU A 70 11.852 -47.835 14.129 1.00 2.51 H new ATOM 0 HB2 GLU A 70 13.963 -47.629 11.959 1.00 41.22 H new ATOM 0 HB3 GLU A 70 14.211 -47.709 13.692 1.00 41.22 H new ATOM 0 HG2 GLU A 70 12.772 -50.048 13.064 1.00 14.41 H new ATOM 0 HG3 GLU A 70 13.926 -49.867 11.758 1.00 14.41 H new ATOM 1052 N GLY A 71 10.903 -45.620 12.459 1.00 11.01 N ATOM 1053 CA GLY A 71 10.713 -44.198 12.237 1.00 32.54 C ATOM 1054 C GLY A 71 11.106 -43.772 10.837 1.00 73.52 C ATOM 1055 O GLY A 71 10.588 -42.785 10.313 1.00 21.41 O ATOM 0 H GLY A 71 10.092 -46.200 12.242 1.00 11.01 H new ATOM 0 HA2 GLY A 71 9.668 -43.943 12.411 1.00 32.54 H new ATOM 0 HA3 GLY A 71 11.303 -43.638 12.963 1.00 32.54 H new ATOM 1059 N ILE A 72 12.024 -44.517 10.229 1.00 12.54 N ATOM 1060 CA ILE A 72 12.486 -44.210 8.881 1.00 14.44 C ATOM 1061 C ILE A 72 11.482 -44.683 7.835 1.00 24.44 C ATOM 1062 O ILE A 72 11.256 -45.884 7.675 1.00 0.40 O ATOM 1063 CB ILE A 72 13.854 -44.856 8.594 1.00 13.02 C ATOM 1064 CG1 ILE A 72 14.903 -44.342 9.582 1.00 34.05 C ATOM 1065 CG2 ILE A 72 14.283 -44.573 7.162 1.00 2.35 C ATOM 1066 CD1 ILE A 72 15.509 -45.430 10.441 1.00 73.33 C ATOM 0 H ILE A 72 12.462 -45.337 10.649 1.00 12.54 H new ATOM 0 HA ILE A 72 12.586 -43.126 8.820 1.00 14.44 H new ATOM 0 HB ILE A 72 13.763 -45.935 8.719 1.00 13.02 H new ATOM 0 HG12 ILE A 72 15.698 -43.843 9.028 1.00 34.05 H new ATOM 0 HG13 ILE A 72 14.445 -43.593 10.228 1.00 34.05 H new ATOM 0 HG21 ILE A 72 15.252 -45.036 6.974 1.00 2.35 H new ATOM 0 HG22 ILE A 72 13.545 -44.984 6.473 1.00 2.35 H new ATOM 0 HG23 ILE A 72 14.360 -43.496 7.011 1.00 2.35 H new ATOM 0 HD11 ILE A 72 16.244 -44.993 11.117 1.00 73.33 H new ATOM 0 HD12 ILE A 72 14.724 -45.914 11.022 1.00 73.33 H new ATOM 0 HD13 ILE A 72 15.996 -46.168 9.804 1.00 73.33 H new ATOM 1078 N LEU A 73 10.885 -43.734 7.124 1.00 13.23 N ATOM 1079 CA LEU A 73 9.906 -44.054 6.091 1.00 40.53 C ATOM 1080 C LEU A 73 10.586 -44.649 4.862 1.00 3.31 C ATOM 1081 O LEU A 73 11.338 -43.967 4.165 1.00 64.24 O ATOM 1082 CB LEU A 73 9.123 -42.800 5.697 1.00 12.11 C ATOM 1083 CG LEU A 73 8.064 -42.329 6.695 1.00 61.01 C ATOM 1084 CD1 LEU A 73 7.065 -43.440 6.977 1.00 31.21 C ATOM 1085 CD2 LEU A 73 8.719 -41.858 7.985 1.00 24.01 C ATOM 0 H LEU A 73 11.061 -42.736 7.243 1.00 13.23 H new ATOM 0 HA LEU A 73 9.216 -44.794 6.496 1.00 40.53 H new ATOM 0 HB2 LEU A 73 9.832 -41.987 5.540 1.00 12.11 H new ATOM 0 HB3 LEU A 73 8.635 -42.986 4.740 1.00 12.11 H new ATOM 0 HG LEU A 73 7.527 -41.488 6.256 1.00 61.01 H new ATOM 0 HD11 LEU A 73 6.319 -43.087 7.689 1.00 31.21 H new ATOM 0 HD12 LEU A 73 6.572 -43.730 6.049 1.00 31.21 H new ATOM 0 HD13 LEU A 73 7.587 -44.301 7.395 1.00 31.21 H new ATOM 0 HD21 LEU A 73 7.951 -41.527 8.683 1.00 24.01 H new ATOM 0 HD22 LEU A 73 9.282 -42.679 8.428 1.00 24.01 H new ATOM 0 HD23 LEU A 73 9.394 -41.030 7.769 1.00 24.01 H new ATOM 1097 N HIS A 74 10.315 -45.924 4.601 1.00 5.34 N ATOM 1098 CA HIS A 74 10.899 -46.610 3.455 1.00 64.35 C ATOM 1099 C HIS A 74 10.083 -46.350 2.192 1.00 32.42 C ATOM 1100 O HIS A 74 8.863 -46.197 2.251 1.00 62.40 O ATOM 1101 CB HIS A 74 10.983 -48.113 3.722 1.00 72.45 C ATOM 1102 CG HIS A 74 12.324 -48.704 3.410 1.00 54.41 C ATOM 1103 ND1 HIS A 74 12.921 -48.601 2.171 1.00 25.45 N ATOM 1104 CD2 HIS A 74 13.184 -49.404 4.185 1.00 63.22 C ATOM 1105 CE1 HIS A 74 14.091 -49.215 2.198 1.00 70.24 C ATOM 1106 NE2 HIS A 74 14.275 -49.711 3.408 1.00 14.42 N ATOM 0 H HIS A 74 9.695 -46.502 5.168 1.00 5.34 H new ATOM 0 HA HIS A 74 11.905 -46.219 3.303 1.00 64.35 H new ATOM 0 HB2 HIS A 74 10.747 -48.301 4.769 1.00 72.45 H new ATOM 0 HB3 HIS A 74 10.224 -48.622 3.128 1.00 72.45 H new ATOM 0 HD2 HIS A 74 13.040 -49.672 5.221 1.00 63.22 H new ATOM 0 HE1 HIS A 74 14.780 -49.297 1.370 1.00 70.24 H new ATOM 0 HE2 HIS A 74 15.093 -50.236 3.716 1.00 14.42 H new ATOM 1114 N ALA A 75 10.764 -46.301 1.052 1.00 21.02 N ATOM 1115 CA ALA A 75 10.102 -46.061 -0.224 1.00 12.12 C ATOM 1116 C ALA A 75 9.794 -47.373 -0.938 1.00 44.42 C ATOM 1117 O ALA A 75 10.431 -48.400 -0.702 1.00 15.10 O ATOM 1118 CB ALA A 75 10.962 -45.167 -1.105 1.00 13.22 C ATOM 0 H ALA A 75 11.774 -46.424 0.986 1.00 21.02 H new ATOM 0 HA ALA A 75 9.157 -45.555 -0.026 1.00 12.12 H new ATOM 0 HB1 ALA A 75 10.455 -44.996 -2.055 1.00 13.22 H new ATOM 0 HB2 ALA A 75 11.126 -44.213 -0.605 1.00 13.22 H new ATOM 0 HB3 ALA A 75 11.922 -45.651 -1.288 1.00 13.22 H new ATOM 1124 N PRO A 76 8.796 -47.340 -1.833 1.00 34.12 N ATOM 1125 CA PRO A 76 8.381 -48.519 -2.600 1.00 2.32 C ATOM 1126 C PRO A 76 9.424 -48.934 -3.632 1.00 75.42 C ATOM 1127 O PRO A 76 10.520 -48.377 -3.680 1.00 42.13 O ATOM 1128 CB PRO A 76 7.097 -48.057 -3.293 1.00 34.34 C ATOM 1129 CG PRO A 76 7.228 -46.576 -3.387 1.00 32.35 C ATOM 1130 CD PRO A 76 7.994 -46.150 -2.165 1.00 62.20 C ATOM 0 HA PRO A 76 8.247 -49.394 -1.964 1.00 2.32 H new ATOM 0 HB2 PRO A 76 6.995 -48.509 -4.280 1.00 34.34 H new ATOM 0 HB3 PRO A 76 6.214 -48.341 -2.720 1.00 34.34 H new ATOM 0 HG2 PRO A 76 7.754 -46.288 -4.297 1.00 32.35 H new ATOM 0 HG3 PRO A 76 6.249 -46.099 -3.420 1.00 32.35 H new ATOM 0 HD2 PRO A 76 8.624 -45.284 -2.368 1.00 62.20 H new ATOM 0 HD3 PRO A 76 7.327 -45.874 -1.348 1.00 62.20 H new ATOM 1138 N ASP A 77 9.074 -49.916 -4.457 1.00 2.25 N ATOM 1139 CA ASP A 77 9.980 -50.405 -5.490 1.00 35.13 C ATOM 1140 C ASP A 77 9.993 -49.464 -6.690 1.00 62.14 C ATOM 1141 O ASP A 77 10.727 -49.682 -7.654 1.00 3.13 O ATOM 1142 CB ASP A 77 9.570 -51.811 -5.932 1.00 43.24 C ATOM 1143 CG ASP A 77 10.574 -52.866 -5.510 1.00 51.23 C ATOM 1144 OD1 ASP A 77 10.824 -53.798 -6.303 1.00 61.11 O ATOM 1145 OD2 ASP A 77 11.110 -52.759 -4.388 1.00 11.23 O ATOM 0 H ASP A 77 8.170 -50.388 -4.430 1.00 2.25 H new ATOM 0 HA ASP A 77 10.985 -50.443 -5.070 1.00 35.13 H new ATOM 0 HB2 ASP A 77 8.595 -52.052 -5.509 1.00 43.24 H new ATOM 0 HB3 ASP A 77 9.461 -51.831 -7.016 1.00 43.24 H new ATOM 1150 N ALA A 78 9.176 -48.418 -6.625 1.00 72.34 N ATOM 1151 CA ALA A 78 9.095 -47.444 -7.706 1.00 53.23 C ATOM 1152 C ALA A 78 9.714 -46.113 -7.293 1.00 63.14 C ATOM 1153 O ALA A 78 10.186 -45.349 -8.135 1.00 31.24 O ATOM 1154 CB ALA A 78 7.647 -47.245 -8.130 1.00 70.23 C ATOM 0 H ALA A 78 8.561 -48.224 -5.835 1.00 72.34 H new ATOM 0 HA ALA A 78 9.661 -47.831 -8.553 1.00 53.23 H new ATOM 0 HB1 ALA A 78 7.602 -46.515 -8.938 1.00 70.23 H new ATOM 0 HB2 ALA A 78 7.235 -48.194 -8.474 1.00 70.23 H new ATOM 0 HB3 ALA A 78 7.066 -46.884 -7.282 1.00 70.23 H new ATOM 1160 N GLY A 79 9.709 -45.841 -5.992 1.00 21.42 N ATOM 1161 CA GLY A 79 10.273 -44.602 -5.491 1.00 12.45 C ATOM 1162 C GLY A 79 9.234 -43.719 -4.826 1.00 63.35 C ATOM 1163 O GLY A 79 8.063 -44.087 -4.738 1.00 31.20 O ATOM 0 H GLY A 79 9.324 -46.457 -5.276 1.00 21.42 H new ATOM 0 HA2 GLY A 79 11.064 -44.829 -4.776 1.00 12.45 H new ATOM 0 HA3 GLY A 79 10.735 -44.057 -6.315 1.00 12.45 H new ATOM 1167 N TRP A 80 9.664 -42.554 -4.357 1.00 51.55 N ATOM 1168 CA TRP A 80 8.762 -41.617 -3.696 1.00 63.01 C ATOM 1169 C TRP A 80 7.777 -41.014 -4.692 1.00 25.23 C ATOM 1170 O TRP A 80 6.564 -41.144 -4.535 1.00 42.20 O ATOM 1171 CB TRP A 80 9.560 -40.505 -3.013 1.00 23.55 C ATOM 1172 CG TRP A 80 10.339 -40.979 -1.823 1.00 0.14 C ATOM 1173 CD1 TRP A 80 11.697 -40.968 -1.674 1.00 54.34 C ATOM 1174 CD2 TRP A 80 9.806 -41.535 -0.616 1.00 1.13 C ATOM 1175 NE1 TRP A 80 12.040 -41.483 -0.448 1.00 33.42 N ATOM 1176 CE2 TRP A 80 10.898 -41.838 0.221 1.00 1.21 C ATOM 1177 CE3 TRP A 80 8.513 -41.804 -0.159 1.00 61.44 C ATOM 1178 CZ2 TRP A 80 10.734 -42.397 1.485 1.00 31.24 C ATOM 1179 CZ3 TRP A 80 8.352 -42.360 1.096 1.00 52.15 C ATOM 1180 CH2 TRP A 80 9.457 -42.651 1.907 1.00 51.24 C ATOM 0 H TRP A 80 10.631 -42.235 -4.422 1.00 51.55 H new ATOM 0 HA TRP A 80 8.197 -42.166 -2.942 1.00 63.01 H new ATOM 0 HB2 TRP A 80 10.246 -40.064 -3.736 1.00 23.55 H new ATOM 0 HB3 TRP A 80 8.876 -39.716 -2.700 1.00 23.55 H new ATOM 0 HD1 TRP A 80 12.398 -40.607 -2.412 1.00 54.34 H new ATOM 0 HE1 TRP A 80 12.991 -41.585 -0.093 1.00 33.42 H new ATOM 0 HE3 TRP A 80 7.655 -41.581 -0.776 1.00 61.44 H new ATOM 0 HZ2 TRP A 80 11.585 -42.622 2.111 1.00 31.24 H new ATOM 0 HZ3 TRP A 80 7.357 -42.574 1.458 1.00 52.15 H new ATOM 0 HH2 TRP A 80 9.298 -43.084 2.884 1.00 51.24 H new ATOM 1191 N GLY A 81 8.308 -40.354 -5.717 1.00 71.41 N ATOM 1192 CA GLY A 81 7.460 -39.742 -6.723 1.00 44.42 C ATOM 1193 C GLY A 81 6.973 -38.366 -6.312 1.00 24.43 C ATOM 1194 O GLY A 81 7.513 -37.761 -5.387 1.00 43.41 O ATOM 0 H GLY A 81 9.309 -40.232 -5.868 1.00 71.41 H new ATOM 0 HA2 GLY A 81 8.011 -39.664 -7.660 1.00 44.42 H new ATOM 0 HA3 GLY A 81 6.601 -40.387 -6.911 1.00 44.42 H new ATOM 1198 N ASN A 82 5.951 -37.872 -7.001 1.00 54.44 N ATOM 1199 CA ASN A 82 5.392 -36.558 -6.704 1.00 3.43 C ATOM 1200 C ASN A 82 3.882 -36.641 -6.505 1.00 10.33 C ATOM 1201 O ASN A 82 3.148 -35.713 -6.848 1.00 35.25 O ATOM 1202 CB ASN A 82 5.716 -35.576 -7.831 1.00 42.53 C ATOM 1203 CG ASN A 82 7.077 -35.833 -8.449 1.00 41.20 C ATOM 1204 OD1 ASN A 82 8.094 -35.965 -7.605 1.00 51.42 O flip ATOM 1205 ND2 ASN A 82 7.212 -35.912 -9.670 1.00 60.44 N flip ATOM 0 H ASN A 82 5.492 -38.361 -7.769 1.00 54.44 H new ATOM 0 HA ASN A 82 5.843 -36.200 -5.779 1.00 3.43 H new ATOM 0 HB2 ASN A 82 4.950 -35.648 -8.603 1.00 42.53 H new ATOM 0 HB3 ASN A 82 5.683 -34.558 -7.443 1.00 42.53 H new ATOM 0 HD21 ASN A 82 6.402 -35.804 -10.281 1.00 60.44 H new ATOM 0 HD22 ASN A 82 8.134 -36.085 -10.071 1.00 60.44 H new ATOM 1212 N LEU A 83 3.425 -37.757 -5.948 1.00 52.12 N ATOM 1213 CA LEU A 83 2.002 -37.962 -5.702 1.00 55.22 C ATOM 1214 C LEU A 83 1.604 -37.429 -4.329 1.00 51.25 C ATOM 1215 O LEU A 83 2.421 -36.842 -3.619 1.00 75.22 O ATOM 1216 CB LEU A 83 1.655 -39.448 -5.805 1.00 31.22 C ATOM 1217 CG LEU A 83 2.613 -40.411 -5.102 1.00 40.23 C ATOM 1218 CD1 LEU A 83 3.811 -40.713 -5.989 1.00 4.24 C ATOM 1219 CD2 LEU A 83 3.065 -39.834 -3.769 1.00 24.44 C ATOM 0 H LEU A 83 4.019 -38.534 -5.658 1.00 52.12 H new ATOM 0 HA LEU A 83 1.445 -37.412 -6.460 1.00 55.22 H new ATOM 0 HB2 LEU A 83 0.656 -39.597 -5.395 1.00 31.22 H new ATOM 0 HB3 LEU A 83 1.610 -39.718 -6.860 1.00 31.22 H new ATOM 0 HG LEU A 83 2.085 -41.345 -4.910 1.00 40.23 H new ATOM 0 HD11 LEU A 83 4.482 -41.400 -5.473 1.00 4.24 H new ATOM 0 HD12 LEU A 83 3.470 -41.169 -6.918 1.00 4.24 H new ATOM 0 HD13 LEU A 83 4.341 -39.787 -6.212 1.00 4.24 H new ATOM 0 HD21 LEU A 83 3.746 -40.532 -3.282 1.00 24.44 H new ATOM 0 HD22 LEU A 83 3.576 -38.886 -3.937 1.00 24.44 H new ATOM 0 HD23 LEU A 83 2.197 -39.670 -3.131 1.00 24.44 H new ATOM 1231 N VAL A 84 0.344 -37.639 -3.961 1.00 1.21 N ATOM 1232 CA VAL A 84 -0.161 -37.183 -2.672 1.00 15.43 C ATOM 1233 C VAL A 84 -0.084 -38.291 -1.628 1.00 14.02 C ATOM 1234 O VAL A 84 -0.008 -39.472 -1.966 1.00 21.40 O ATOM 1235 CB VAL A 84 -1.619 -36.696 -2.781 1.00 4.53 C ATOM 1236 CG1 VAL A 84 -2.015 -35.914 -1.537 1.00 70.23 C ATOM 1237 CG2 VAL A 84 -1.806 -35.852 -4.033 1.00 3.03 C ATOM 0 H VAL A 84 -0.345 -38.122 -4.537 1.00 1.21 H new ATOM 0 HA VAL A 84 0.471 -36.351 -2.361 1.00 15.43 H new ATOM 0 HB VAL A 84 -2.270 -37.567 -2.857 1.00 4.53 H new ATOM 0 HG11 VAL A 84 -3.048 -35.578 -1.632 1.00 70.23 H new ATOM 0 HG12 VAL A 84 -1.921 -36.554 -0.660 1.00 70.23 H new ATOM 0 HG13 VAL A 84 -1.361 -35.049 -1.427 1.00 70.23 H new ATOM 0 HG21 VAL A 84 -2.841 -35.516 -4.094 1.00 3.03 H new ATOM 0 HG22 VAL A 84 -1.146 -34.986 -3.990 1.00 3.03 H new ATOM 0 HG23 VAL A 84 -1.565 -36.448 -4.913 1.00 3.03 H new ATOM 1247 N TYR A 85 -0.106 -37.902 -0.358 1.00 24.32 N ATOM 1248 CA TYR A 85 -0.036 -38.863 0.737 1.00 52.02 C ATOM 1249 C TYR A 85 -1.088 -38.556 1.799 1.00 45.32 C ATOM 1250 O TYR A 85 -1.431 -37.397 2.032 1.00 2.35 O ATOM 1251 CB TYR A 85 1.358 -38.852 1.365 1.00 2.24 C ATOM 1252 CG TYR A 85 1.447 -38.024 2.628 1.00 51.05 C ATOM 1253 CD1 TYR A 85 1.037 -38.541 3.851 1.00 44.23 C ATOM 1254 CD2 TYR A 85 1.939 -36.725 2.597 1.00 31.00 C ATOM 1255 CE1 TYR A 85 1.116 -37.788 5.006 1.00 32.04 C ATOM 1256 CE2 TYR A 85 2.022 -35.966 3.748 1.00 43.41 C ATOM 1257 CZ TYR A 85 1.609 -36.501 4.950 1.00 64.30 C ATOM 1258 OH TYR A 85 1.690 -35.747 6.098 1.00 34.54 O ATOM 0 H TYR A 85 -0.172 -36.928 -0.061 1.00 24.32 H new ATOM 0 HA TYR A 85 -0.235 -39.854 0.330 1.00 52.02 H new ATOM 0 HB2 TYR A 85 1.654 -39.877 1.591 1.00 2.24 H new ATOM 0 HB3 TYR A 85 2.072 -38.467 0.637 1.00 2.24 H new ATOM 0 HD1 TYR A 85 0.650 -39.548 3.899 1.00 44.23 H new ATOM 0 HD2 TYR A 85 2.262 -36.302 1.657 1.00 31.00 H new ATOM 0 HE1 TYR A 85 0.793 -38.205 5.949 1.00 32.04 H new ATOM 0 HE2 TYR A 85 2.408 -34.958 3.707 1.00 43.41 H new ATOM 0 HH TYR A 85 2.398 -35.077 6.000 1.00 34.54 H new ATOM 1268 N VAL A 86 -1.595 -39.603 2.440 1.00 31.53 N ATOM 1269 CA VAL A 86 -2.606 -39.448 3.479 1.00 11.42 C ATOM 1270 C VAL A 86 -2.028 -39.748 4.858 1.00 73.03 C ATOM 1271 O VAL A 86 -1.431 -40.802 5.076 1.00 31.23 O ATOM 1272 CB VAL A 86 -3.815 -40.369 3.229 1.00 24.22 C ATOM 1273 CG1 VAL A 86 -4.804 -40.278 4.381 1.00 5.33 C ATOM 1274 CG2 VAL A 86 -4.486 -40.020 1.910 1.00 55.11 C ATOM 0 H VAL A 86 -1.322 -40.569 2.258 1.00 31.53 H new ATOM 0 HA VAL A 86 -2.937 -38.410 3.445 1.00 11.42 H new ATOM 0 HB VAL A 86 -3.460 -41.398 3.168 1.00 24.22 H new ATOM 0 HG11 VAL A 86 -5.651 -40.936 4.186 1.00 5.33 H new ATOM 0 HG12 VAL A 86 -4.314 -40.582 5.306 1.00 5.33 H new ATOM 0 HG13 VAL A 86 -5.157 -39.251 4.478 1.00 5.33 H new ATOM 0 HG21 VAL A 86 -5.338 -40.680 1.749 1.00 55.11 H new ATOM 0 HG22 VAL A 86 -4.829 -38.986 1.939 1.00 55.11 H new ATOM 0 HG23 VAL A 86 -3.773 -40.143 1.095 1.00 55.11 H new ATOM 1284 N VAL A 87 -2.211 -38.814 5.786 1.00 25.21 N ATOM 1285 CA VAL A 87 -1.709 -38.979 7.145 1.00 21.21 C ATOM 1286 C VAL A 87 -2.376 -40.163 7.837 1.00 4.21 C ATOM 1287 O VAL A 87 -3.483 -40.561 7.479 1.00 52.31 O ATOM 1288 CB VAL A 87 -1.940 -37.710 7.987 1.00 41.15 C ATOM 1289 CG1 VAL A 87 -1.150 -37.779 9.285 1.00 50.44 C ATOM 1290 CG2 VAL A 87 -1.567 -36.468 7.191 1.00 65.43 C ATOM 0 H VAL A 87 -2.703 -37.936 5.622 1.00 25.21 H new ATOM 0 HA VAL A 87 -0.638 -39.164 7.066 1.00 21.21 H new ATOM 0 HB VAL A 87 -2.999 -37.649 8.238 1.00 41.15 H new ATOM 0 HG11 VAL A 87 -1.326 -36.874 9.866 1.00 50.44 H new ATOM 0 HG12 VAL A 87 -1.470 -38.648 9.860 1.00 50.44 H new ATOM 0 HG13 VAL A 87 -0.087 -37.865 9.060 1.00 50.44 H new ATOM 0 HG21 VAL A 87 -1.736 -35.581 7.801 1.00 65.43 H new ATOM 0 HG22 VAL A 87 -0.515 -36.519 6.909 1.00 65.43 H new ATOM 0 HG23 VAL A 87 -2.182 -36.413 6.293 1.00 65.43 H new ATOM 1300 N ASN A 88 -1.693 -40.721 8.831 1.00 21.24 N ATOM 1301 CA ASN A 88 -2.219 -41.860 9.575 1.00 71.34 C ATOM 1302 C ASN A 88 -1.799 -41.795 11.040 1.00 51.31 C ATOM 1303 O ASN A 88 -0.731 -42.280 11.413 1.00 61.54 O ATOM 1304 CB ASN A 88 -1.734 -43.171 8.951 1.00 3.45 C ATOM 1305 CG ASN A 88 -2.561 -44.362 9.393 1.00 32.31 C ATOM 1306 OD1 ASN A 88 -3.767 -44.247 9.613 1.00 20.44 O ATOM 1307 ND2 ASN A 88 -1.915 -45.515 9.525 1.00 50.12 N ATOM 0 H ASN A 88 -0.774 -40.403 9.140 1.00 21.24 H new ATOM 0 HA ASN A 88 -3.307 -41.822 9.526 1.00 71.34 H new ATOM 0 HB2 ASN A 88 -1.772 -43.089 7.865 1.00 3.45 H new ATOM 0 HB3 ASN A 88 -0.691 -43.335 9.222 1.00 3.45 H new ATOM 0 HD21 ASN A 88 -2.419 -46.351 9.819 1.00 50.12 H new ATOM 0 HD22 ASN A 88 -0.915 -45.564 9.332 1.00 50.12 H new