USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.0146 F(o=-0.77,f=-0.015) USER MOD Single : A 28 TYR OH : rot -159:sc= -0.265 USER MOD Single : A 34 SER OG : rot -23:sc= 0.307 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 172:sc= -3.4 (180deg=-3.53!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 40 ASN : amide:sc= -0.21 K(o=-0.21,f=-0.88) USER MOD Single : A 41 CYS SG : rot 154:sc= 1.1 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0274) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= 1.08 (180deg=-0.888) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00154 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 57:sc= -1.11 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0553 (180deg=-0.299) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= -1.84! (180deg=-4.16!) USER MOD Single : A 58 THR OG1 : rot 169:sc= 1.15 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 69 TYR OH : rot 34:sc= 0.95 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0233) USER MOD Single : A 73 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 10.760 7.212 -0.566 1.00 14.44 N ATOM 220 CA ILE A 15 9.888 6.770 -1.664 1.00 53.03 C ATOM 221 C ILE A 15 8.433 7.234 -1.460 1.00 13.51 C ATOM 222 O ILE A 15 7.855 7.038 -0.390 1.00 4.34 O ATOM 223 CB ILE A 15 9.920 5.223 -1.800 1.00 32.41 C ATOM 224 CG1 ILE A 15 11.348 4.745 -2.119 1.00 11.41 C ATOM 225 CG2 ILE A 15 8.933 4.750 -2.870 1.00 72.03 C ATOM 226 CD1 ILE A 15 11.489 3.236 -2.200 1.00 52.42 C ATOM 0 HA ILE A 15 10.270 7.225 -2.578 1.00 53.03 H new ATOM 0 HB ILE A 15 9.615 4.786 -0.849 1.00 32.41 H new ATOM 0 HG12 ILE A 15 11.663 5.181 -3.067 1.00 11.41 H new ATOM 0 HG13 ILE A 15 12.026 5.123 -1.354 1.00 11.41 H new ATOM 0 HG21 ILE A 15 8.973 3.663 -2.947 1.00 72.03 H new ATOM 0 HG22 ILE A 15 7.924 5.057 -2.595 1.00 72.03 H new ATOM 0 HG23 ILE A 15 9.198 5.192 -3.830 1.00 72.03 H new ATOM 0 HD11 ILE A 15 12.523 2.979 -2.428 1.00 52.42 H new ATOM 0 HD12 ILE A 15 11.207 2.792 -1.245 1.00 52.42 H new ATOM 0 HD13 ILE A 15 10.838 2.851 -2.985 1.00 52.42 H new ATOM 238 N THR A 16 7.847 7.841 -2.492 1.00 33.22 N ATOM 239 CA THR A 16 6.467 8.345 -2.412 1.00 63.44 C ATOM 240 C THR A 16 5.458 7.210 -2.201 1.00 41.25 C ATOM 241 O THR A 16 5.620 6.111 -2.735 1.00 42.22 O ATOM 242 CB THR A 16 6.061 9.128 -3.681 1.00 20.44 C ATOM 243 OG1 THR A 16 6.106 8.267 -4.831 1.00 24.42 O ATOM 244 CG2 THR A 16 6.978 10.330 -3.896 1.00 2.44 C ATOM 0 H THR A 16 8.301 7.998 -3.392 1.00 33.22 H new ATOM 0 HA THR A 16 6.447 9.016 -1.553 1.00 63.44 H new ATOM 0 HB THR A 16 5.042 9.491 -3.545 1.00 20.44 H new ATOM 0 HG1 THR A 16 5.845 8.773 -5.629 1.00 24.42 H new ATOM 0 HG21 THR A 16 6.672 10.865 -4.795 1.00 2.44 H new ATOM 0 HG22 THR A 16 6.911 10.997 -3.037 1.00 2.44 H new ATOM 0 HG23 THR A 16 8.006 9.987 -4.010 1.00 2.44 H new ATOM 252 N LEU A 17 4.414 7.494 -1.427 1.00 11.14 N ATOM 253 CA LEU A 17 3.350 6.522 -1.149 1.00 43.43 C ATOM 254 C LEU A 17 2.743 5.952 -2.444 1.00 53.12 C ATOM 255 O LEU A 17 2.326 4.792 -2.488 1.00 5.42 O ATOM 256 CB LEU A 17 2.252 7.184 -0.302 1.00 5.10 C ATOM 257 CG LEU A 17 1.067 6.279 0.078 1.00 10.35 C ATOM 258 CD1 LEU A 17 1.537 5.089 0.911 1.00 74.41 C ATOM 259 CD2 LEU A 17 0.005 7.080 0.826 1.00 62.13 C ATOM 0 H LEU A 17 4.278 8.398 -0.975 1.00 11.14 H new ATOM 0 HA LEU A 17 3.791 5.691 -0.598 1.00 43.43 H new ATOM 0 HB2 LEU A 17 2.704 7.563 0.614 1.00 5.10 H new ATOM 0 HB3 LEU A 17 1.867 8.046 -0.848 1.00 5.10 H new ATOM 0 HG LEU A 17 0.623 5.891 -0.839 1.00 10.35 H new ATOM 0 HD11 LEU A 17 0.682 4.464 1.167 1.00 74.41 H new ATOM 0 HD12 LEU A 17 2.255 4.504 0.337 1.00 74.41 H new ATOM 0 HD13 LEU A 17 2.010 5.449 1.825 1.00 74.41 H new ATOM 0 HD21 LEU A 17 -0.827 6.426 1.088 1.00 62.13 H new ATOM 0 HD22 LEU A 17 0.438 7.498 1.735 1.00 62.13 H new ATOM 0 HD23 LEU A 17 -0.356 7.889 0.190 1.00 62.13 H new ATOM 271 N GLN A 18 2.701 6.773 -3.493 1.00 20.44 N ATOM 272 CA GLN A 18 2.180 6.349 -4.792 1.00 74.41 C ATOM 273 C GLN A 18 2.994 5.181 -5.376 1.00 41.33 C ATOM 274 O GLN A 18 2.448 4.102 -5.630 1.00 22.34 O ATOM 275 CB GLN A 18 2.172 7.535 -5.768 1.00 42.23 C ATOM 276 CG GLN A 18 1.682 7.185 -7.171 1.00 72.13 C ATOM 277 CD GLN A 18 1.545 8.404 -8.066 1.00 61.43 C ATOM 278 OE1 GLN A 18 2.251 9.395 -7.909 1.00 12.35 O ATOM 279 NE2 GLN A 18 0.641 8.339 -9.021 1.00 2.22 N ATOM 0 H GLN A 18 3.023 7.740 -3.468 1.00 20.44 H new ATOM 0 HA GLN A 18 1.159 5.997 -4.645 1.00 74.41 H new ATOM 0 HB2 GLN A 18 1.539 8.323 -5.360 1.00 42.23 H new ATOM 0 HB3 GLN A 18 3.181 7.941 -5.838 1.00 42.23 H new ATOM 0 HG2 GLN A 18 2.376 6.480 -7.628 1.00 72.13 H new ATOM 0 HG3 GLN A 18 0.718 6.682 -7.099 1.00 72.13 H new ATOM 0 HE21 GLN A 18 0.069 7.501 -9.126 1.00 2.22 H new ATOM 0 HE22 GLN A 18 0.512 9.127 -9.656 1.00 2.22 H new ATOM 288 N LYS A 19 4.298 5.389 -5.579 1.00 14.02 N ATOM 289 CA LYS A 19 5.155 4.328 -6.118 1.00 23.01 C ATOM 290 C LYS A 19 5.246 3.151 -5.138 1.00 2.33 C ATOM 291 O LYS A 19 5.227 1.990 -5.541 1.00 20.33 O ATOM 292 CB LYS A 19 6.561 4.850 -6.429 1.00 74.41 C ATOM 293 CG LYS A 19 7.397 3.841 -7.212 1.00 14.23 C ATOM 294 CD LYS A 19 8.769 4.383 -7.575 1.00 64.34 C ATOM 295 CE LYS A 19 9.675 4.520 -6.358 1.00 33.22 C ATOM 296 NZ LYS A 19 11.035 4.983 -6.733 1.00 63.21 N ATOM 0 H LYS A 19 4.778 6.267 -5.382 1.00 14.02 H new ATOM 0 HA LYS A 19 4.701 3.984 -7.047 1.00 23.01 H new ATOM 0 HB2 LYS A 19 6.484 5.775 -7.000 1.00 74.41 H new ATOM 0 HB3 LYS A 19 7.070 5.093 -5.496 1.00 74.41 H new ATOM 0 HG2 LYS A 19 7.513 2.933 -6.621 1.00 14.23 H new ATOM 0 HG3 LYS A 19 6.867 3.563 -8.123 1.00 14.23 H new ATOM 0 HD2 LYS A 19 9.238 3.721 -8.302 1.00 64.34 H new ATOM 0 HD3 LYS A 19 8.658 5.356 -8.054 1.00 64.34 H new ATOM 0 HE2 LYS A 19 9.233 5.224 -5.653 1.00 33.22 H new ATOM 0 HE3 LYS A 19 9.746 3.560 -5.847 1.00 33.22 H new ATOM 0 HZ1 LYS A 19 11.622 5.064 -5.878 1.00 63.21 H new ATOM 0 HZ2 LYS A 19 11.467 4.299 -7.386 1.00 63.21 H new ATOM 0 HZ3 LYS A 19 10.970 5.911 -7.198 1.00 63.21 H new ATOM 310 N LEU A 20 5.318 3.474 -3.848 1.00 21.00 N ATOM 311 CA LEU A 20 5.360 2.471 -2.777 1.00 2.24 C ATOM 312 C LEU A 20 4.198 1.469 -2.916 1.00 12.04 C ATOM 313 O LEU A 20 4.409 0.255 -2.980 1.00 53.43 O ATOM 314 CB LEU A 20 5.319 3.199 -1.415 1.00 4.31 C ATOM 315 CG LEU A 20 5.518 2.334 -0.151 1.00 31.21 C ATOM 316 CD1 LEU A 20 6.002 3.197 1.016 1.00 20.43 C ATOM 317 CD2 LEU A 20 4.226 1.612 0.239 1.00 14.20 C ATOM 0 H LEU A 20 5.349 4.437 -3.512 1.00 21.00 H new ATOM 0 HA LEU A 20 6.283 1.896 -2.847 1.00 2.24 H new ATOM 0 HB2 LEU A 20 6.087 3.972 -1.421 1.00 4.31 H new ATOM 0 HB3 LEU A 20 4.358 3.706 -1.331 1.00 4.31 H new ATOM 0 HG LEU A 20 6.274 1.583 -0.380 1.00 31.21 H new ATOM 0 HD11 LEU A 20 6.137 2.572 1.899 1.00 20.43 H new ATOM 0 HD12 LEU A 20 6.951 3.665 0.754 1.00 20.43 H new ATOM 0 HD13 LEU A 20 5.263 3.970 1.228 1.00 20.43 H new ATOM 0 HD21 LEU A 20 4.400 1.012 1.132 1.00 14.20 H new ATOM 0 HD22 LEU A 20 3.446 2.346 0.441 1.00 14.20 H new ATOM 0 HD23 LEU A 20 3.911 0.963 -0.578 1.00 14.20 H new ATOM 329 N LEU A 21 2.971 1.990 -2.972 1.00 51.02 N ATOM 330 CA LEU A 21 1.777 1.153 -3.143 1.00 54.32 C ATOM 331 C LEU A 21 1.805 0.410 -4.489 1.00 11.40 C ATOM 332 O LEU A 21 1.429 -0.763 -4.571 1.00 33.23 O ATOM 333 CB LEU A 21 0.509 2.012 -3.042 1.00 53.02 C ATOM 334 CG LEU A 21 -0.824 1.255 -3.201 1.00 74.01 C ATOM 335 CD1 LEU A 21 -0.988 0.202 -2.109 1.00 34.41 C ATOM 336 CD2 LEU A 21 -1.995 2.235 -3.188 1.00 54.20 C ATOM 0 H LEU A 21 2.776 2.989 -2.902 1.00 51.02 H new ATOM 0 HA LEU A 21 1.771 0.409 -2.346 1.00 54.32 H new ATOM 0 HB2 LEU A 21 0.508 2.513 -2.074 1.00 53.02 H new ATOM 0 HB3 LEU A 21 0.557 2.790 -3.804 1.00 53.02 H new ATOM 0 HG LEU A 21 -0.813 0.741 -4.162 1.00 74.01 H new ATOM 0 HD11 LEU A 21 -1.937 -0.318 -2.244 1.00 34.41 H new ATOM 0 HD12 LEU A 21 -0.169 -0.515 -2.169 1.00 34.41 H new ATOM 0 HD13 LEU A 21 -0.975 0.686 -1.132 1.00 34.41 H new ATOM 0 HD21 LEU A 21 -2.930 1.686 -3.301 1.00 54.20 H new ATOM 0 HD22 LEU A 21 -2.005 2.778 -2.243 1.00 54.20 H new ATOM 0 HD23 LEU A 21 -1.887 2.942 -4.011 1.00 54.20 H new ATOM 348 N THR A 22 2.259 1.094 -5.538 1.00 3.52 N ATOM 349 CA THR A 22 2.356 0.491 -6.876 1.00 2.51 C ATOM 350 C THR A 22 3.261 -0.752 -6.862 1.00 65.51 C ATOM 351 O THR A 22 2.904 -1.802 -7.399 1.00 54.03 O ATOM 352 CB THR A 22 2.897 1.502 -7.919 1.00 12.55 C ATOM 353 OG1 THR A 22 2.041 2.655 -7.973 1.00 52.13 O ATOM 354 CG2 THR A 22 2.993 0.876 -9.308 1.00 23.22 C ATOM 0 H THR A 22 2.566 2.066 -5.492 1.00 3.52 H new ATOM 0 HA THR A 22 1.346 0.197 -7.161 1.00 2.51 H new ATOM 0 HB THR A 22 3.899 1.797 -7.607 1.00 12.55 H new ATOM 0 HG1 THR A 22 2.158 3.188 -7.159 1.00 52.13 H new ATOM 0 HG21 THR A 22 3.376 1.613 -10.014 1.00 23.22 H new ATOM 0 HG22 THR A 22 3.667 0.020 -9.276 1.00 23.22 H new ATOM 0 HG23 THR A 22 2.004 0.547 -9.628 1.00 23.22 H new ATOM 362 N GLU A 23 4.423 -0.635 -6.225 1.00 3.04 N ATOM 363 CA GLU A 23 5.354 -1.761 -6.122 1.00 10.54 C ATOM 364 C GLU A 23 4.739 -2.934 -5.336 1.00 35.22 C ATOM 365 O GLU A 23 4.997 -4.100 -5.642 1.00 21.10 O ATOM 366 CB GLU A 23 6.671 -1.322 -5.473 1.00 34.15 C ATOM 367 CG GLU A 23 7.438 -0.276 -6.278 1.00 65.12 C ATOM 368 CD GLU A 23 8.875 -0.122 -5.810 1.00 10.45 C ATOM 369 OE1 GLU A 23 9.715 -0.974 -6.183 1.00 12.00 O ATOM 370 OE2 GLU A 23 9.172 0.827 -5.057 1.00 54.31 O ATOM 0 H GLU A 23 4.744 0.222 -5.774 1.00 3.04 H new ATOM 0 HA GLU A 23 5.560 -2.106 -7.135 1.00 10.54 H new ATOM 0 HB2 GLU A 23 6.460 -0.921 -4.482 1.00 34.15 H new ATOM 0 HB3 GLU A 23 7.306 -2.197 -5.334 1.00 34.15 H new ATOM 0 HG2 GLU A 23 7.430 -0.555 -7.332 1.00 65.12 H new ATOM 0 HG3 GLU A 23 6.928 0.684 -6.199 1.00 65.12 H new ATOM 377 N LEU A 24 3.923 -2.626 -4.330 1.00 32.32 N ATOM 378 CA LEU A 24 3.208 -3.664 -3.571 1.00 13.45 C ATOM 379 C LEU A 24 2.274 -4.470 -4.486 1.00 14.44 C ATOM 380 O LEU A 24 2.144 -5.690 -4.347 1.00 50.41 O ATOM 381 CB LEU A 24 2.405 -3.032 -2.426 1.00 41.40 C ATOM 382 CG LEU A 24 3.238 -2.317 -1.353 1.00 45.20 C ATOM 383 CD1 LEU A 24 2.335 -1.755 -0.258 1.00 51.24 C ATOM 384 CD2 LEU A 24 4.281 -3.264 -0.762 1.00 4.43 C ATOM 0 H LEU A 24 3.737 -1.673 -4.018 1.00 32.32 H new ATOM 0 HA LEU A 24 3.949 -4.344 -3.151 1.00 13.45 H new ATOM 0 HB2 LEU A 24 1.700 -2.317 -2.851 1.00 41.40 H new ATOM 0 HB3 LEU A 24 1.816 -3.812 -1.944 1.00 41.40 H new ATOM 0 HG LEU A 24 3.762 -1.485 -1.823 1.00 45.20 H new ATOM 0 HD11 LEU A 24 2.944 -1.252 0.493 1.00 51.24 H new ATOM 0 HD12 LEU A 24 1.635 -1.043 -0.694 1.00 51.24 H new ATOM 0 HD13 LEU A 24 1.781 -2.569 0.210 1.00 51.24 H new ATOM 0 HD21 LEU A 24 4.861 -2.739 -0.003 1.00 4.43 H new ATOM 0 HD22 LEU A 24 3.780 -4.119 -0.308 1.00 4.43 H new ATOM 0 HD23 LEU A 24 4.947 -3.611 -1.552 1.00 4.43 H new ATOM 396 N VAL A 25 1.637 -3.777 -5.426 1.00 23.21 N ATOM 397 CA VAL A 25 0.777 -4.422 -6.424 1.00 30.31 C ATOM 398 C VAL A 25 1.589 -5.358 -7.335 1.00 5.33 C ATOM 399 O VAL A 25 1.133 -6.446 -7.692 1.00 72.35 O ATOM 400 CB VAL A 25 0.044 -3.373 -7.297 1.00 2.24 C ATOM 401 CG1 VAL A 25 -0.873 -4.047 -8.319 1.00 74.55 C ATOM 402 CG2 VAL A 25 -0.742 -2.401 -6.420 1.00 45.05 C ATOM 0 H VAL A 25 1.698 -2.763 -5.521 1.00 23.21 H new ATOM 0 HA VAL A 25 0.039 -5.007 -5.876 1.00 30.31 H new ATOM 0 HB VAL A 25 0.796 -2.808 -7.848 1.00 2.24 H new ATOM 0 HG11 VAL A 25 -1.374 -3.285 -8.917 1.00 74.55 H new ATOM 0 HG12 VAL A 25 -0.281 -4.689 -8.971 1.00 74.55 H new ATOM 0 HG13 VAL A 25 -1.619 -4.648 -7.798 1.00 74.55 H new ATOM 0 HG21 VAL A 25 -1.250 -1.671 -7.051 1.00 45.05 H new ATOM 0 HG22 VAL A 25 -1.479 -2.952 -5.836 1.00 45.05 H new ATOM 0 HG23 VAL A 25 -0.058 -1.884 -5.746 1.00 45.05 H new ATOM 412 N GLU A 26 2.790 -4.921 -7.708 1.00 11.12 N ATOM 413 CA GLU A 26 3.690 -5.730 -8.540 1.00 75.41 C ATOM 414 C GLU A 26 4.178 -6.984 -7.794 1.00 32.51 C ATOM 415 O GLU A 26 4.088 -8.105 -8.301 1.00 75.31 O ATOM 416 CB GLU A 26 4.910 -4.899 -8.973 1.00 14.13 C ATOM 417 CG GLU A 26 4.569 -3.628 -9.744 1.00 11.13 C ATOM 418 CD GLU A 26 5.808 -2.921 -10.269 1.00 12.01 C ATOM 419 OE1 GLU A 26 6.288 -3.287 -11.360 1.00 24.42 O ATOM 420 OE2 GLU A 26 6.323 -2.009 -9.586 1.00 2.24 O ATOM 0 H GLU A 26 3.167 -4.009 -7.448 1.00 11.12 H new ATOM 0 HA GLU A 26 3.124 -6.044 -9.417 1.00 75.41 H new ATOM 0 HB2 GLU A 26 5.482 -4.628 -8.086 1.00 14.13 H new ATOM 0 HB3 GLU A 26 5.557 -5.521 -9.592 1.00 14.13 H new ATOM 0 HG2 GLU A 26 3.914 -3.877 -10.579 1.00 11.13 H new ATOM 0 HG3 GLU A 26 4.014 -2.950 -9.095 1.00 11.13 H new ATOM 427 N HIS A 27 4.695 -6.779 -6.583 1.00 53.41 N ATOM 428 CA HIS A 27 5.338 -7.855 -5.820 1.00 42.15 C ATOM 429 C HIS A 27 4.323 -8.837 -5.206 1.00 11.42 C ATOM 430 O HIS A 27 4.494 -10.050 -5.318 1.00 33.23 O ATOM 431 CB HIS A 27 6.259 -7.262 -4.744 1.00 24.20 C ATOM 432 CG HIS A 27 7.398 -6.458 -5.313 1.00 72.33 C ATOM 433 ND1 HIS A 27 7.658 -5.127 -5.276 1.00 14.34 N flip ATOM 434 CD2 HIS A 27 8.421 -7.017 -6.045 1.00 23.10 C flip ATOM 435 CE1 HIS A 27 8.820 -4.917 -5.978 1.00 33.40 C flip ATOM 436 NE2 HIS A 27 9.259 -6.075 -6.426 1.00 3.22 N flip ATOM 0 H HIS A 27 4.682 -5.877 -6.106 1.00 53.41 H new ATOM 0 HA HIS A 27 5.938 -8.437 -6.520 1.00 42.15 H new ATOM 0 HB2 HIS A 27 5.671 -6.627 -4.081 1.00 24.20 H new ATOM 0 HB3 HIS A 27 6.663 -8.071 -4.135 1.00 24.20 H new ATOM 0 HD1 HIS A 27 7.095 -4.414 -4.813 1.00 14.34 H new ATOM 0 HD2 HIS A 27 8.521 -8.068 -6.272 1.00 23.10 H new ATOM 0 HE1 HIS A 27 9.295 -3.960 -6.136 1.00 33.40 H new ATOM 445 N TYR A 28 3.278 -8.329 -4.549 1.00 32.12 N ATOM 446 CA TYR A 28 2.235 -9.211 -3.994 1.00 62.55 C ATOM 447 C TYR A 28 1.010 -9.284 -4.913 1.00 5.54 C ATOM 448 O TYR A 28 0.653 -10.349 -5.419 1.00 33.34 O ATOM 449 CB TYR A 28 1.753 -8.744 -2.611 1.00 73.42 C ATOM 450 CG TYR A 28 2.838 -8.464 -1.586 1.00 24.44 C ATOM 451 CD1 TYR A 28 3.483 -9.504 -0.927 1.00 44.02 C ATOM 452 CD2 TYR A 28 3.177 -7.161 -1.238 1.00 43.31 C ATOM 453 CE1 TYR A 28 4.429 -9.257 0.045 1.00 64.42 C ATOM 454 CE2 TYR A 28 4.131 -6.907 -0.271 1.00 33.14 C ATOM 455 CZ TYR A 28 4.748 -7.957 0.369 1.00 62.33 C ATOM 456 OH TYR A 28 5.682 -7.706 1.348 1.00 22.22 O ATOM 0 H TYR A 28 3.127 -7.333 -4.387 1.00 32.12 H new ATOM 0 HA TYR A 28 2.701 -10.193 -3.906 1.00 62.55 H new ATOM 0 HB2 TYR A 28 1.162 -7.838 -2.742 1.00 73.42 H new ATOM 0 HB3 TYR A 28 1.085 -9.504 -2.205 1.00 73.42 H new ATOM 0 HD1 TYR A 28 3.239 -10.525 -1.181 1.00 44.02 H new ATOM 0 HD2 TYR A 28 2.687 -6.335 -1.731 1.00 43.31 H new ATOM 0 HE1 TYR A 28 4.917 -10.078 0.549 1.00 64.42 H new ATOM 0 HE2 TYR A 28 4.391 -5.889 -0.019 1.00 33.14 H new ATOM 0 HH TYR A 28 5.557 -6.798 1.694 1.00 22.22 H new ATOM 466 N GLY A 29 0.366 -8.136 -5.106 1.00 31.33 N ATOM 467 CA GLY A 29 -0.907 -8.092 -5.816 1.00 53.44 C ATOM 468 C GLY A 29 -2.069 -7.737 -4.888 1.00 23.00 C ATOM 469 O GLY A 29 -2.014 -8.008 -3.683 1.00 41.43 O ATOM 0 H GLY A 29 0.703 -7.229 -4.782 1.00 31.33 H new ATOM 0 HA2 GLY A 29 -0.848 -7.359 -6.620 1.00 53.44 H new ATOM 0 HA3 GLY A 29 -1.097 -9.060 -6.280 1.00 53.44 H new ATOM 473 N TRP A 30 -3.130 -7.153 -5.445 1.00 14.04 N ATOM 474 CA TRP A 30 -4.279 -6.694 -4.646 1.00 42.23 C ATOM 475 C TRP A 30 -4.896 -7.828 -3.816 1.00 12.44 C ATOM 476 O TRP A 30 -5.521 -7.582 -2.784 1.00 54.34 O ATOM 477 CB TRP A 30 -5.355 -6.083 -5.553 1.00 42.32 C ATOM 478 CG TRP A 30 -4.893 -4.863 -6.296 1.00 43.52 C ATOM 479 CD1 TRP A 30 -4.448 -4.808 -7.584 1.00 64.25 C ATOM 480 CD2 TRP A 30 -4.822 -3.524 -5.787 1.00 61.31 C ATOM 481 NE1 TRP A 30 -4.116 -3.516 -7.911 1.00 62.01 N ATOM 482 CE2 TRP A 30 -4.336 -2.710 -6.827 1.00 21.05 C ATOM 483 CE3 TRP A 30 -5.130 -2.933 -4.556 1.00 73.12 C ATOM 484 CZ2 TRP A 30 -4.145 -1.338 -6.672 1.00 72.01 C ATOM 485 CZ3 TRP A 30 -4.939 -1.571 -4.404 1.00 52.34 C ATOM 486 CH2 TRP A 30 -4.453 -0.788 -5.455 1.00 73.53 C ATOM 0 H TRP A 30 -3.223 -6.984 -6.447 1.00 14.04 H new ATOM 0 HA TRP A 30 -3.904 -5.937 -3.958 1.00 42.23 H new ATOM 0 HB2 TRP A 30 -5.681 -6.834 -6.272 1.00 42.32 H new ATOM 0 HB3 TRP A 30 -6.223 -5.822 -4.948 1.00 42.32 H new ATOM 0 HD1 TRP A 30 -4.368 -5.655 -8.249 1.00 64.25 H new ATOM 0 HE1 TRP A 30 -3.762 -3.207 -8.816 1.00 62.01 H new ATOM 0 HE3 TRP A 30 -5.510 -3.529 -3.740 1.00 73.12 H new ATOM 0 HZ2 TRP A 30 -3.768 -0.730 -7.481 1.00 72.01 H new ATOM 0 HZ3 TRP A 30 -5.169 -1.105 -3.457 1.00 52.34 H new ATOM 0 HH2 TRP A 30 -4.317 0.273 -5.305 1.00 73.53 H new ATOM 497 N GLU A 31 -4.695 -9.064 -4.264 1.00 62.33 N ATOM 498 CA GLU A 31 -5.290 -10.240 -3.619 1.00 44.53 C ATOM 499 C GLU A 31 -5.006 -10.281 -2.105 1.00 35.24 C ATOM 500 O GLU A 31 -5.925 -10.422 -1.295 1.00 75.51 O ATOM 501 CB GLU A 31 -4.774 -11.526 -4.285 1.00 31.23 C ATOM 502 CG GLU A 31 -4.841 -11.510 -5.813 1.00 21.54 C ATOM 503 CD GLU A 31 -6.200 -11.080 -6.350 1.00 73.12 C ATOM 504 OE1 GLU A 31 -7.159 -11.875 -6.269 1.00 4.20 O ATOM 505 OE2 GLU A 31 -6.314 -9.942 -6.848 1.00 30.51 O ATOM 0 H GLU A 31 -4.120 -9.282 -5.078 1.00 62.33 H new ATOM 0 HA GLU A 31 -6.370 -10.168 -3.747 1.00 44.53 H new ATOM 0 HB2 GLU A 31 -3.741 -11.691 -3.979 1.00 31.23 H new ATOM 0 HB3 GLU A 31 -5.355 -12.371 -3.916 1.00 31.23 H new ATOM 0 HG2 GLU A 31 -4.076 -10.835 -6.197 1.00 21.54 H new ATOM 0 HG3 GLU A 31 -4.607 -12.505 -6.191 1.00 21.54 H new ATOM 512 N GLU A 32 -3.732 -10.151 -1.722 1.00 55.41 N ATOM 513 CA GLU A 32 -3.360 -10.155 -0.299 1.00 10.00 C ATOM 514 C GLU A 32 -3.326 -8.734 0.287 1.00 61.00 C ATOM 515 O GLU A 32 -3.559 -8.543 1.485 1.00 11.42 O ATOM 516 CB GLU A 32 -2.012 -10.862 -0.080 1.00 31.44 C ATOM 517 CG GLU A 32 -0.816 -10.217 -0.749 1.00 55.32 C ATOM 518 CD GLU A 32 0.469 -10.976 -0.440 1.00 44.52 C ATOM 519 OE1 GLU A 32 1.073 -10.722 0.623 1.00 12.51 O ATOM 520 OE2 GLU A 32 0.868 -11.837 -1.252 1.00 75.14 O ATOM 0 H GLU A 32 -2.948 -10.043 -2.366 1.00 55.41 H new ATOM 0 HA GLU A 32 -4.131 -10.713 0.231 1.00 10.00 H new ATOM 0 HB2 GLU A 32 -1.821 -10.916 0.992 1.00 31.44 H new ATOM 0 HB3 GLU A 32 -2.098 -11.887 -0.440 1.00 31.44 H new ATOM 0 HG2 GLU A 32 -0.972 -10.187 -1.827 1.00 55.32 H new ATOM 0 HG3 GLU A 32 -0.721 -9.185 -0.412 1.00 55.32 H new ATOM 527 N LEU A 33 -3.054 -7.736 -0.555 1.00 63.41 N ATOM 528 CA LEU A 33 -3.057 -6.333 -0.113 1.00 70.34 C ATOM 529 C LEU A 33 -4.427 -5.927 0.450 1.00 2.11 C ATOM 530 O LEU A 33 -4.517 -5.306 1.509 1.00 74.02 O ATOM 531 CB LEU A 33 -2.689 -5.397 -1.274 1.00 61.04 C ATOM 532 CG LEU A 33 -1.267 -5.556 -1.833 1.00 44.03 C ATOM 533 CD1 LEU A 33 -1.058 -4.640 -3.037 1.00 1.20 C ATOM 534 CD2 LEU A 33 -0.220 -5.274 -0.754 1.00 13.52 C ATOM 0 H LEU A 33 -2.830 -7.867 -1.541 1.00 63.41 H new ATOM 0 HA LEU A 33 -2.312 -6.241 0.677 1.00 70.34 H new ATOM 0 HB2 LEU A 33 -3.399 -5.558 -2.085 1.00 61.04 H new ATOM 0 HB3 LEU A 33 -2.815 -4.367 -0.940 1.00 61.04 H new ATOM 0 HG LEU A 33 -1.146 -6.589 -2.160 1.00 44.03 H new ATOM 0 HD11 LEU A 33 -0.045 -4.767 -3.419 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -1.775 -4.896 -3.817 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.205 -3.603 -2.735 1.00 1.20 H new ATOM 0 HD21 LEU A 33 0.778 -5.393 -1.175 1.00 13.52 H new ATOM 0 HD22 LEU A 33 -0.340 -4.254 -0.388 1.00 13.52 H new ATOM 0 HD23 LEU A 33 -0.351 -5.973 0.072 1.00 13.52 H new ATOM 546 N SER A 34 -5.487 -6.306 -0.263 1.00 42.24 N ATOM 547 CA SER A 34 -6.863 -5.958 0.123 1.00 43.01 C ATOM 548 C SER A 34 -7.305 -6.679 1.409 1.00 44.13 C ATOM 549 O SER A 34 -8.359 -6.376 1.971 1.00 10.34 O ATOM 550 CB SER A 34 -7.833 -6.301 -1.019 1.00 54.31 C ATOM 551 OG SER A 34 -9.160 -5.890 -0.719 1.00 53.33 O ATOM 0 H SER A 34 -5.423 -6.858 -1.118 1.00 42.24 H new ATOM 0 HA SER A 34 -6.883 -4.886 0.319 1.00 43.01 H new ATOM 0 HB2 SER A 34 -7.500 -5.817 -1.937 1.00 54.31 H new ATOM 0 HB3 SER A 34 -7.817 -7.376 -1.201 1.00 54.31 H new ATOM 0 HG SER A 34 -9.268 -5.818 0.252 1.00 53.33 H new ATOM 557 N TYR A 35 -6.509 -7.650 1.856 1.00 54.02 N ATOM 558 CA TYR A 35 -6.777 -8.347 3.116 1.00 23.11 C ATOM 559 C TYR A 35 -5.953 -7.744 4.261 1.00 22.32 C ATOM 560 O TYR A 35 -6.484 -7.459 5.337 1.00 45.13 O ATOM 561 CB TYR A 35 -6.476 -9.844 2.988 1.00 51.24 C ATOM 562 CG TYR A 35 -6.733 -10.612 4.274 1.00 64.14 C ATOM 563 CD1 TYR A 35 -8.028 -10.912 4.678 1.00 2.02 C ATOM 564 CD2 TYR A 35 -5.684 -11.024 5.091 1.00 2.42 C ATOM 565 CE1 TYR A 35 -8.271 -11.595 5.853 1.00 51.10 C ATOM 566 CE2 TYR A 35 -5.923 -11.712 6.266 1.00 63.52 C ATOM 567 CZ TYR A 35 -7.218 -11.992 6.641 1.00 13.43 C ATOM 568 OH TYR A 35 -7.459 -12.670 7.815 1.00 34.31 O ATOM 0 H TYR A 35 -5.674 -7.972 1.366 1.00 54.02 H new ATOM 0 HA TYR A 35 -7.836 -8.222 3.344 1.00 23.11 H new ATOM 0 HB2 TYR A 35 -7.088 -10.265 2.191 1.00 51.24 H new ATOM 0 HB3 TYR A 35 -5.435 -9.976 2.694 1.00 51.24 H new ATOM 0 HD1 TYR A 35 -8.860 -10.605 4.061 1.00 2.02 H new ATOM 0 HD2 TYR A 35 -4.667 -10.803 4.802 1.00 2.42 H new ATOM 0 HE1 TYR A 35 -9.285 -11.816 6.152 1.00 51.10 H new ATOM 0 HE2 TYR A 35 -5.098 -12.028 6.887 1.00 63.52 H new ATOM 0 HH TYR A 35 -6.607 -12.879 8.253 1.00 34.31 H new ATOM 578 N MET A 36 -4.649 -7.572 4.032 1.00 51.12 N ATOM 579 CA MET A 36 -3.761 -6.969 5.032 1.00 60.42 C ATOM 580 C MET A 36 -4.225 -5.549 5.397 1.00 4.11 C ATOM 581 O MET A 36 -4.424 -5.234 6.573 1.00 43.04 O ATOM 582 CB MET A 36 -2.311 -6.959 4.524 1.00 21.33 C ATOM 583 CG MET A 36 -1.720 -8.354 4.338 1.00 43.50 C ATOM 584 SD MET A 36 -0.017 -8.324 3.737 1.00 31.23 S ATOM 585 CE MET A 36 -0.240 -7.632 2.099 1.00 52.05 C ATOM 0 H MET A 36 -4.184 -7.841 3.165 1.00 51.12 H new ATOM 0 HA MET A 36 -3.804 -7.575 5.937 1.00 60.42 H new ATOM 0 HB2 MET A 36 -2.271 -6.427 3.574 1.00 21.33 H new ATOM 0 HB3 MET A 36 -1.692 -6.402 5.227 1.00 21.33 H new ATOM 0 HG2 MET A 36 -1.755 -8.887 5.288 1.00 43.50 H new ATOM 0 HG3 MET A 36 -2.338 -8.914 3.636 1.00 43.50 H new ATOM 0 HE1 MET A 36 0.734 -7.420 1.658 1.00 52.05 H new ATOM 0 HE2 MET A 36 -0.775 -8.346 1.472 1.00 52.05 H new ATOM 0 HE3 MET A 36 -0.815 -6.709 2.169 1.00 52.05 H new ATOM 595 N VAL A 37 -4.405 -4.698 4.390 1.00 72.41 N ATOM 596 CA VAL A 37 -4.993 -3.373 4.605 1.00 22.43 C ATOM 597 C VAL A 37 -6.513 -3.439 4.393 1.00 52.31 C ATOM 598 O VAL A 37 -7.017 -3.178 3.300 1.00 34.23 O ATOM 599 CB VAL A 37 -4.380 -2.298 3.667 1.00 71.12 C ATOM 600 CG1 VAL A 37 -4.928 -0.909 4.000 1.00 71.11 C ATOM 601 CG2 VAL A 37 -2.856 -2.315 3.751 1.00 44.45 C ATOM 0 H VAL A 37 -4.155 -4.898 3.422 1.00 72.41 H new ATOM 0 HA VAL A 37 -4.770 -3.079 5.631 1.00 22.43 H new ATOM 0 HB VAL A 37 -4.667 -2.537 2.643 1.00 71.12 H new ATOM 0 HG11 VAL A 37 -4.484 -0.173 3.330 1.00 71.11 H new ATOM 0 HG12 VAL A 37 -6.011 -0.906 3.877 1.00 71.11 H new ATOM 0 HG13 VAL A 37 -4.680 -0.658 5.031 1.00 71.11 H new ATOM 0 HG21 VAL A 37 -2.446 -1.554 3.086 1.00 44.45 H new ATOM 0 HG22 VAL A 37 -2.546 -2.107 4.775 1.00 44.45 H new ATOM 0 HG23 VAL A 37 -2.486 -3.296 3.452 1.00 44.45 H new ATOM 611 N ASN A 38 -7.235 -3.826 5.441 1.00 13.45 N ATOM 612 CA ASN A 38 -8.686 -4.012 5.355 1.00 73.32 C ATOM 613 C ASN A 38 -9.429 -2.667 5.281 1.00 62.32 C ATOM 614 O ASN A 38 -9.998 -2.190 6.267 1.00 62.30 O ATOM 615 CB ASN A 38 -9.179 -4.849 6.542 1.00 23.01 C ATOM 616 CG ASN A 38 -10.657 -5.189 6.446 1.00 11.04 C ATOM 617 OD1 ASN A 38 -11.511 -4.461 6.941 1.00 33.12 O ATOM 618 ND2 ASN A 38 -10.971 -6.302 5.816 1.00 2.42 N ATOM 0 H ASN A 38 -6.841 -4.018 6.362 1.00 13.45 H new ATOM 0 HA ASN A 38 -8.905 -4.548 4.432 1.00 73.32 H new ATOM 0 HB2 ASN A 38 -8.601 -5.771 6.596 1.00 23.01 H new ATOM 0 HB3 ASN A 38 -8.995 -4.303 7.467 1.00 23.01 H new ATOM 0 HD21 ASN A 38 -11.948 -6.580 5.729 1.00 2.42 H new ATOM 0 HD22 ASN A 38 -10.237 -6.886 5.415 1.00 2.42 H new ATOM 625 N ILE A 39 -9.387 -2.045 4.107 1.00 22.13 N ATOM 626 CA ILE A 39 -10.129 -0.809 3.850 1.00 53.40 C ATOM 627 C ILE A 39 -11.057 -0.983 2.641 1.00 54.12 C ATOM 628 O ILE A 39 -10.684 -1.616 1.647 1.00 41.54 O ATOM 629 CB ILE A 39 -9.178 0.397 3.603 1.00 44.42 C ATOM 630 CG1 ILE A 39 -8.237 0.119 2.416 1.00 21.33 C ATOM 631 CG2 ILE A 39 -8.377 0.715 4.863 1.00 22.33 C ATOM 632 CD1 ILE A 39 -7.303 1.270 2.091 1.00 73.22 C ATOM 0 H ILE A 39 -8.843 -2.378 3.311 1.00 22.13 H new ATOM 0 HA ILE A 39 -10.721 -0.599 4.741 1.00 53.40 H new ATOM 0 HB ILE A 39 -9.788 1.266 3.355 1.00 44.42 H new ATOM 0 HG12 ILE A 39 -7.643 -0.768 2.636 1.00 21.33 H new ATOM 0 HG13 ILE A 39 -8.837 -0.110 1.535 1.00 21.33 H new ATOM 0 HG21 ILE A 39 -7.717 1.561 4.671 1.00 22.33 H new ATOM 0 HG22 ILE A 39 -9.060 0.964 5.675 1.00 22.33 H new ATOM 0 HG23 ILE A 39 -7.781 -0.153 5.144 1.00 22.33 H new ATOM 0 HD11 ILE A 39 -6.672 0.999 1.245 1.00 73.22 H new ATOM 0 HD12 ILE A 39 -7.889 2.154 1.838 1.00 73.22 H new ATOM 0 HD13 ILE A 39 -6.676 1.485 2.956 1.00 73.22 H new ATOM 644 N ASN A 40 -12.264 -0.422 2.723 1.00 15.42 N ATOM 645 CA ASN A 40 -13.254 -0.565 1.649 1.00 55.14 C ATOM 646 C ASN A 40 -12.676 -0.114 0.297 1.00 23.10 C ATOM 647 O ASN A 40 -13.025 -0.663 -0.746 1.00 1.24 O ATOM 648 CB ASN A 40 -14.523 0.230 1.981 1.00 33.14 C ATOM 649 CG ASN A 40 -15.658 -0.053 1.013 1.00 53.12 C ATOM 650 OD1 ASN A 40 -15.753 -1.137 0.446 1.00 75.11 O ATOM 651 ND2 ASN A 40 -16.531 0.909 0.820 1.00 21.42 N ATOM 0 H ASN A 40 -12.581 0.134 3.517 1.00 15.42 H new ATOM 0 HA ASN A 40 -13.513 -1.621 1.569 1.00 55.14 H new ATOM 0 HB2 ASN A 40 -14.845 -0.013 2.994 1.00 33.14 H new ATOM 0 HB3 ASN A 40 -14.294 1.296 1.966 1.00 33.14 H new ATOM 0 HD21 ASN A 40 -17.315 0.766 0.184 1.00 21.42 H new ATOM 0 HD22 ASN A 40 -16.425 1.799 1.306 1.00 21.42 H new ATOM 658 N CYS A 41 -11.772 0.868 0.329 1.00 11.21 N ATOM 659 CA CYS A 41 -11.105 1.368 -0.884 1.00 53.11 C ATOM 660 C CYS A 41 -10.520 0.224 -1.732 1.00 24.45 C ATOM 661 O CYS A 41 -10.851 0.085 -2.905 1.00 14.22 O ATOM 662 CB CYS A 41 -9.994 2.356 -0.513 1.00 64.51 C ATOM 663 SG CYS A 41 -10.571 3.792 0.424 1.00 12.32 S ATOM 0 H CYS A 41 -11.481 1.338 1.186 1.00 11.21 H new ATOM 0 HA CYS A 41 -11.861 1.876 -1.482 1.00 53.11 H new ATOM 0 HB2 CYS A 41 -9.237 1.833 0.072 1.00 64.51 H new ATOM 0 HB3 CYS A 41 -9.509 2.701 -1.426 1.00 64.51 H new ATOM 0 HG CYS A 41 -9.595 4.262 1.143 1.00 12.32 H new ATOM 669 N PHE A 42 -9.661 -0.600 -1.131 1.00 60.40 N ATOM 670 CA PHE A 42 -9.092 -1.761 -1.833 1.00 14.51 C ATOM 671 C PHE A 42 -10.175 -2.809 -2.135 1.00 30.13 C ATOM 672 O PHE A 42 -10.121 -3.511 -3.146 1.00 22.02 O ATOM 673 CB PHE A 42 -7.978 -2.414 -0.996 1.00 60.41 C ATOM 674 CG PHE A 42 -6.737 -1.571 -0.814 1.00 44.34 C ATOM 675 CD1 PHE A 42 -6.601 -0.341 -1.444 1.00 12.21 C ATOM 676 CD2 PHE A 42 -5.697 -2.019 -0.007 1.00 21.42 C ATOM 677 CE1 PHE A 42 -5.461 0.417 -1.272 1.00 30.43 C ATOM 678 CE2 PHE A 42 -4.556 -1.262 0.165 1.00 33.13 C ATOM 679 CZ PHE A 42 -4.438 -0.042 -0.469 1.00 1.30 C ATOM 0 H PHE A 42 -9.343 -0.491 -0.168 1.00 60.40 H new ATOM 0 HA PHE A 42 -8.673 -1.400 -2.772 1.00 14.51 H new ATOM 0 HB2 PHE A 42 -8.380 -2.659 -0.013 1.00 60.41 H new ATOM 0 HB3 PHE A 42 -7.694 -3.355 -1.468 1.00 60.41 H new ATOM 0 HD1 PHE A 42 -7.396 0.026 -2.076 1.00 12.21 H new ATOM 0 HD2 PHE A 42 -5.783 -2.973 0.492 1.00 21.42 H new ATOM 0 HE1 PHE A 42 -5.370 1.372 -1.767 1.00 30.43 H new ATOM 0 HE2 PHE A 42 -3.757 -1.624 0.795 1.00 33.13 H new ATOM 0 HZ PHE A 42 -3.546 0.552 -0.337 1.00 1.30 H new ATOM 689 N LYS A 43 -11.164 -2.885 -1.253 1.00 33.21 N ATOM 690 CA LYS A 43 -12.228 -3.888 -1.340 1.00 3.15 C ATOM 691 C LYS A 43 -13.355 -3.477 -2.311 1.00 42.32 C ATOM 692 O LYS A 43 -14.407 -4.120 -2.349 1.00 10.22 O ATOM 693 CB LYS A 43 -12.801 -4.128 0.063 1.00 51.13 C ATOM 694 CG LYS A 43 -11.776 -4.674 1.060 1.00 10.14 C ATOM 695 CD LYS A 43 -12.258 -4.561 2.506 1.00 3.14 C ATOM 696 CE LYS A 43 -13.552 -5.331 2.745 1.00 51.55 C ATOM 697 NZ LYS A 43 -13.373 -6.798 2.585 1.00 65.53 N ATOM 0 H LYS A 43 -11.255 -2.255 -0.456 1.00 33.21 H new ATOM 0 HA LYS A 43 -11.793 -4.805 -1.738 1.00 3.15 H new ATOM 0 HB2 LYS A 43 -13.204 -3.191 0.446 1.00 51.13 H new ATOM 0 HB3 LYS A 43 -13.634 -4.828 -0.009 1.00 51.13 H new ATOM 0 HG2 LYS A 43 -11.568 -5.719 0.829 1.00 10.14 H new ATOM 0 HG3 LYS A 43 -10.838 -4.130 0.948 1.00 10.14 H new ATOM 0 HD2 LYS A 43 -11.484 -4.938 3.175 1.00 3.14 H new ATOM 0 HD3 LYS A 43 -12.411 -3.511 2.755 1.00 3.14 H new ATOM 0 HE2 LYS A 43 -13.918 -5.119 3.750 1.00 51.55 H new ATOM 0 HE3 LYS A 43 -14.314 -4.982 2.048 1.00 51.55 H new ATOM 0 HZ1 LYS A 43 -14.261 -7.284 2.823 1.00 65.53 H new ATOM 0 HZ2 LYS A 43 -13.115 -7.011 1.600 1.00 65.53 H new ATOM 0 HZ3 LYS A 43 -12.618 -7.127 3.220 1.00 65.53 H new ATOM 711 N LYS A 44 -13.142 -2.406 -3.081 1.00 12.40 N ATOM 712 CA LYS A 44 -14.126 -1.969 -4.088 1.00 13.42 C ATOM 713 C LYS A 44 -13.455 -1.306 -5.303 1.00 73.25 C ATOM 714 O LYS A 44 -13.933 -1.429 -6.433 1.00 75.44 O ATOM 715 CB LYS A 44 -15.154 -1.003 -3.471 1.00 12.40 C ATOM 716 CG LYS A 44 -14.583 0.369 -3.121 1.00 34.23 C ATOM 717 CD LYS A 44 -15.652 1.331 -2.614 1.00 15.33 C ATOM 718 CE LYS A 44 -16.720 1.610 -3.669 1.00 13.35 C ATOM 719 NZ LYS A 44 -16.144 2.146 -4.935 1.00 44.45 N ATOM 0 H LYS A 44 -12.304 -1.826 -3.031 1.00 12.40 H new ATOM 0 HA LYS A 44 -14.639 -2.866 -4.434 1.00 13.42 H new ATOM 0 HB2 LYS A 44 -15.981 -0.874 -4.169 1.00 12.40 H new ATOM 0 HB3 LYS A 44 -15.566 -1.455 -2.569 1.00 12.40 H new ATOM 0 HG2 LYS A 44 -13.811 0.255 -2.360 1.00 34.23 H new ATOM 0 HG3 LYS A 44 -14.103 0.795 -4.002 1.00 34.23 H new ATOM 0 HD2 LYS A 44 -16.123 0.913 -1.724 1.00 15.33 H new ATOM 0 HD3 LYS A 44 -15.183 2.269 -2.316 1.00 15.33 H new ATOM 0 HE2 LYS A 44 -17.265 0.690 -3.882 1.00 13.35 H new ATOM 0 HE3 LYS A 44 -17.442 2.323 -3.271 1.00 13.35 H new ATOM 0 HZ1 LYS A 44 -16.817 2.809 -5.370 1.00 44.45 H new ATOM 0 HZ2 LYS A 44 -15.254 2.643 -4.728 1.00 44.45 H new ATOM 0 HZ3 LYS A 44 -15.958 1.361 -5.592 1.00 44.45 H new ATOM 733 N ASP A 45 -12.353 -0.604 -5.063 1.00 62.43 N ATOM 734 CA ASP A 45 -11.628 0.114 -6.119 1.00 52.42 C ATOM 735 C ASP A 45 -10.136 -0.262 -6.130 1.00 44.05 C ATOM 736 O ASP A 45 -9.301 0.458 -5.577 1.00 12.32 O ATOM 737 CB ASP A 45 -11.772 1.637 -5.946 1.00 73.22 C ATOM 738 CG ASP A 45 -13.214 2.112 -5.981 1.00 61.21 C ATOM 739 OD1 ASP A 45 -13.977 1.660 -6.862 1.00 0.01 O ATOM 740 OD2 ASP A 45 -13.598 2.942 -5.125 1.00 4.40 O ATOM 0 H ASP A 45 -11.934 -0.513 -4.137 1.00 62.43 H new ATOM 0 HA ASP A 45 -12.070 -0.181 -7.071 1.00 52.42 H new ATOM 0 HB2 ASP A 45 -11.323 1.932 -4.998 1.00 73.22 H new ATOM 0 HB3 ASP A 45 -11.212 2.140 -6.734 1.00 73.22 H new ATOM 745 N PRO A 46 -9.783 -1.419 -6.723 1.00 73.32 N ATOM 746 CA PRO A 46 -8.373 -1.809 -6.928 1.00 62.11 C ATOM 747 C PRO A 46 -7.617 -0.814 -7.833 1.00 12.21 C ATOM 748 O PRO A 46 -7.336 -1.102 -9.001 1.00 61.35 O ATOM 749 CB PRO A 46 -8.470 -3.193 -7.598 1.00 52.14 C ATOM 750 CG PRO A 46 -9.851 -3.680 -7.295 1.00 61.44 C ATOM 751 CD PRO A 46 -10.716 -2.452 -7.203 1.00 71.03 C ATOM 0 HA PRO A 46 -7.814 -1.820 -5.992 1.00 62.11 H new ATOM 0 HB2 PRO A 46 -8.305 -3.122 -8.673 1.00 52.14 H new ATOM 0 HB3 PRO A 46 -7.717 -3.875 -7.204 1.00 52.14 H new ATOM 0 HG2 PRO A 46 -10.208 -4.350 -8.077 1.00 61.44 H new ATOM 0 HG3 PRO A 46 -9.870 -4.241 -6.361 1.00 61.44 H new ATOM 0 HD2 PRO A 46 -11.146 -2.189 -8.169 1.00 71.03 H new ATOM 0 HD3 PRO A 46 -11.547 -2.596 -6.513 1.00 71.03 H new ATOM 759 N SER A 47 -7.307 0.362 -7.293 1.00 23.14 N ATOM 760 CA SER A 47 -6.658 1.436 -8.063 1.00 53.34 C ATOM 761 C SER A 47 -5.763 2.302 -7.161 1.00 41.24 C ATOM 762 O SER A 47 -6.003 2.416 -5.959 1.00 3.31 O ATOM 763 CB SER A 47 -7.723 2.316 -8.739 1.00 51.12 C ATOM 764 OG SER A 47 -8.588 1.552 -9.576 1.00 44.54 O ATOM 0 H SER A 47 -7.494 0.602 -6.319 1.00 23.14 H new ATOM 0 HA SER A 47 -6.031 0.974 -8.825 1.00 53.34 H new ATOM 0 HB2 SER A 47 -8.312 2.825 -7.976 1.00 51.12 H new ATOM 0 HB3 SER A 47 -7.233 3.089 -9.331 1.00 51.12 H new ATOM 0 HG SER A 47 -9.252 2.144 -9.987 1.00 44.54 H new ATOM 770 N ILE A 48 -4.746 2.924 -7.753 1.00 31.34 N ATOM 771 CA ILE A 48 -3.766 3.713 -6.995 1.00 30.43 C ATOM 772 C ILE A 48 -4.287 5.124 -6.667 1.00 33.21 C ATOM 773 O ILE A 48 -4.322 5.525 -5.504 1.00 62.52 O ATOM 774 CB ILE A 48 -2.426 3.835 -7.768 1.00 30.05 C ATOM 775 CG1 ILE A 48 -1.881 2.442 -8.135 1.00 11.21 C ATOM 776 CG2 ILE A 48 -1.399 4.615 -6.945 1.00 61.22 C ATOM 777 CD1 ILE A 48 -1.570 1.561 -6.941 1.00 33.13 C ATOM 0 H ILE A 48 -4.575 2.899 -8.758 1.00 31.34 H new ATOM 0 HA ILE A 48 -3.600 3.178 -6.060 1.00 30.43 H new ATOM 0 HB ILE A 48 -2.613 4.383 -8.692 1.00 30.05 H new ATOM 0 HG12 ILE A 48 -2.610 1.934 -8.767 1.00 11.21 H new ATOM 0 HG13 ILE A 48 -0.975 2.564 -8.728 1.00 11.21 H new ATOM 0 HG21 ILE A 48 -0.466 4.690 -7.504 1.00 61.22 H new ATOM 0 HG22 ILE A 48 -1.781 5.615 -6.740 1.00 61.22 H new ATOM 0 HG23 ILE A 48 -1.217 4.096 -6.004 1.00 61.22 H new ATOM 0 HD11 ILE A 48 -1.192 0.599 -7.287 1.00 33.13 H new ATOM 0 HD12 ILE A 48 -0.817 2.044 -6.318 1.00 33.13 H new ATOM 0 HD13 ILE A 48 -2.477 1.405 -6.358 1.00 33.13 H new ATOM 789 N LYS A 49 -4.700 5.870 -7.693 1.00 75.23 N ATOM 790 CA LYS A 49 -5.138 7.266 -7.521 1.00 44.40 C ATOM 791 C LYS A 49 -6.328 7.357 -6.541 1.00 22.42 C ATOM 792 O LYS A 49 -6.302 8.137 -5.583 1.00 55.53 O ATOM 793 CB LYS A 49 -5.500 7.869 -8.896 1.00 72.43 C ATOM 794 CG LYS A 49 -5.553 9.402 -8.942 1.00 31.32 C ATOM 795 CD LYS A 49 -6.867 9.972 -8.408 1.00 41.55 C ATOM 796 CE LYS A 49 -6.889 11.494 -8.506 1.00 30.13 C ATOM 797 NZ LYS A 49 -8.201 12.071 -8.106 1.00 23.01 N ATOM 0 H LYS A 49 -4.742 5.535 -8.655 1.00 75.23 H new ATOM 0 HA LYS A 49 -4.319 7.842 -7.090 1.00 44.40 H new ATOM 0 HB2 LYS A 49 -4.771 7.524 -9.630 1.00 72.43 H new ATOM 0 HB3 LYS A 49 -6.470 7.478 -9.202 1.00 72.43 H new ATOM 0 HG2 LYS A 49 -4.725 9.806 -8.359 1.00 31.32 H new ATOM 0 HG3 LYS A 49 -5.411 9.734 -9.970 1.00 31.32 H new ATOM 0 HD2 LYS A 49 -7.702 9.557 -8.972 1.00 41.55 H new ATOM 0 HD3 LYS A 49 -7.002 9.670 -7.369 1.00 41.55 H new ATOM 0 HE2 LYS A 49 -6.105 11.907 -7.871 1.00 30.13 H new ATOM 0 HE3 LYS A 49 -6.661 11.792 -9.529 1.00 30.13 H new ATOM 0 HZ1 LYS A 49 -8.165 13.107 -8.190 1.00 23.01 H new ATOM 0 HZ2 LYS A 49 -8.948 11.699 -8.727 1.00 23.01 H new ATOM 0 HZ3 LYS A 49 -8.409 11.811 -7.121 1.00 23.01 H new ATOM 811 N SER A 50 -7.362 6.549 -6.781 1.00 44.12 N ATOM 812 CA SER A 50 -8.528 6.484 -5.879 1.00 1.35 C ATOM 813 C SER A 50 -8.122 6.116 -4.443 1.00 13.03 C ATOM 814 O SER A 50 -8.778 6.520 -3.480 1.00 44.44 O ATOM 815 CB SER A 50 -9.566 5.469 -6.389 1.00 2.11 C ATOM 816 OG SER A 50 -10.168 5.902 -7.600 1.00 22.22 O ATOM 0 H SER A 50 -7.422 5.929 -7.589 1.00 44.12 H new ATOM 0 HA SER A 50 -8.970 7.480 -5.869 1.00 1.35 H new ATOM 0 HB2 SER A 50 -9.085 4.503 -6.546 1.00 2.11 H new ATOM 0 HB3 SER A 50 -10.336 5.323 -5.631 1.00 2.11 H new ATOM 0 HG SER A 50 -10.821 5.234 -7.898 1.00 22.22 H new ATOM 822 N SER A 51 -7.039 5.348 -4.307 1.00 72.32 N ATOM 823 CA SER A 51 -6.530 4.937 -2.990 1.00 42.30 C ATOM 824 C SER A 51 -5.782 6.080 -2.291 1.00 42.04 C ATOM 825 O SER A 51 -6.000 6.341 -1.107 1.00 75.33 O ATOM 826 CB SER A 51 -5.597 3.727 -3.128 1.00 73.20 C ATOM 827 OG SER A 51 -5.046 3.362 -1.874 1.00 1.34 O ATOM 0 H SER A 51 -6.494 4.995 -5.094 1.00 72.32 H new ATOM 0 HA SER A 51 -7.392 4.666 -2.380 1.00 42.30 H new ATOM 0 HB2 SER A 51 -6.148 2.885 -3.546 1.00 73.20 H new ATOM 0 HB3 SER A 51 -4.794 3.961 -3.827 1.00 73.20 H new ATOM 0 HG SER A 51 -5.770 3.179 -1.239 1.00 1.34 H new ATOM 833 N LEU A 52 -4.900 6.760 -3.028 1.00 60.21 N ATOM 834 CA LEU A 52 -4.134 7.893 -2.484 1.00 73.00 C ATOM 835 C LEU A 52 -5.062 8.949 -1.868 1.00 41.41 C ATOM 836 O LEU A 52 -4.738 9.559 -0.846 1.00 22.53 O ATOM 837 CB LEU A 52 -3.279 8.540 -3.586 1.00 32.04 C ATOM 838 CG LEU A 52 -2.225 7.624 -4.232 1.00 34.01 C ATOM 839 CD1 LEU A 52 -1.488 8.358 -5.350 1.00 45.23 C ATOM 840 CD2 LEU A 52 -1.245 7.103 -3.179 1.00 61.10 C ATOM 0 H LEU A 52 -4.696 6.548 -4.005 1.00 60.21 H new ATOM 0 HA LEU A 52 -3.483 7.505 -1.700 1.00 73.00 H new ATOM 0 HB2 LEU A 52 -3.943 8.908 -4.368 1.00 32.04 H new ATOM 0 HB3 LEU A 52 -2.771 9.408 -3.165 1.00 32.04 H new ATOM 0 HG LEU A 52 -2.736 6.767 -4.670 1.00 34.01 H new ATOM 0 HD11 LEU A 52 -0.747 7.694 -5.794 1.00 45.23 H new ATOM 0 HD12 LEU A 52 -2.201 8.668 -6.113 1.00 45.23 H new ATOM 0 HD13 LEU A 52 -0.989 9.237 -4.941 1.00 45.23 H new ATOM 0 HD21 LEU A 52 -0.508 6.457 -3.656 1.00 61.10 H new ATOM 0 HD22 LEU A 52 -0.738 7.944 -2.706 1.00 61.10 H new ATOM 0 HD23 LEU A 52 -1.790 6.536 -2.424 1.00 61.10 H new ATOM 852 N LYS A 53 -6.218 9.146 -2.500 1.00 73.00 N ATOM 853 CA LYS A 53 -7.233 10.085 -2.011 1.00 63.53 C ATOM 854 C LYS A 53 -7.708 9.731 -0.582 1.00 2.34 C ATOM 855 O LYS A 53 -8.167 10.599 0.166 1.00 62.45 O ATOM 856 CB LYS A 53 -8.421 10.104 -2.989 1.00 14.50 C ATOM 857 CG LYS A 53 -9.532 11.068 -2.598 1.00 74.50 C ATOM 858 CD LYS A 53 -10.648 11.085 -3.640 1.00 14.34 C ATOM 859 CE LYS A 53 -11.795 11.992 -3.222 1.00 14.45 C ATOM 860 NZ LYS A 53 -12.410 11.557 -1.942 1.00 0.21 N ATOM 0 H LYS A 53 -6.479 8.664 -3.360 1.00 73.00 H new ATOM 0 HA LYS A 53 -6.785 11.077 -1.959 1.00 63.53 H new ATOM 0 HB2 LYS A 53 -8.057 10.370 -3.981 1.00 14.50 H new ATOM 0 HB3 LYS A 53 -8.835 9.098 -3.060 1.00 14.50 H new ATOM 0 HG2 LYS A 53 -9.941 10.780 -1.629 1.00 74.50 H new ATOM 0 HG3 LYS A 53 -9.122 12.072 -2.486 1.00 74.50 H new ATOM 0 HD2 LYS A 53 -10.248 11.422 -4.596 1.00 14.34 H new ATOM 0 HD3 LYS A 53 -11.021 10.072 -3.790 1.00 14.34 H new ATOM 0 HE2 LYS A 53 -11.430 13.014 -3.120 1.00 14.45 H new ATOM 0 HE3 LYS A 53 -12.554 12.001 -4.004 1.00 14.45 H new ATOM 0 HZ1 LYS A 53 -13.336 12.017 -1.828 1.00 0.21 H new ATOM 0 HZ2 LYS A 53 -12.535 10.525 -1.950 1.00 0.21 H new ATOM 0 HZ3 LYS A 53 -11.791 11.825 -1.151 1.00 0.21 H new ATOM 874 N PHE A 54 -7.581 8.459 -0.212 1.00 32.12 N ATOM 875 CA PHE A 54 -7.961 7.989 1.130 1.00 63.24 C ATOM 876 C PHE A 54 -6.736 7.901 2.063 1.00 11.45 C ATOM 877 O PHE A 54 -6.748 8.434 3.175 1.00 41.14 O ATOM 878 CB PHE A 54 -8.644 6.617 1.022 1.00 12.23 C ATOM 879 CG PHE A 54 -9.110 6.047 2.341 1.00 14.22 C ATOM 880 CD1 PHE A 54 -10.272 6.510 2.941 1.00 40.45 C ATOM 881 CD2 PHE A 54 -8.388 5.042 2.977 1.00 72.35 C ATOM 882 CE1 PHE A 54 -10.703 5.986 4.146 1.00 21.24 C ATOM 883 CE2 PHE A 54 -8.819 4.516 4.182 1.00 65.54 C ATOM 884 CZ PHE A 54 -9.976 4.988 4.765 1.00 41.33 C ATOM 0 H PHE A 54 -7.216 7.727 -0.822 1.00 32.12 H new ATOM 0 HA PHE A 54 -8.656 8.710 1.561 1.00 63.24 H new ATOM 0 HB2 PHE A 54 -9.501 6.703 0.354 1.00 12.23 H new ATOM 0 HB3 PHE A 54 -7.950 5.914 0.561 1.00 12.23 H new ATOM 0 HD1 PHE A 54 -10.847 7.289 2.461 1.00 40.45 H new ATOM 0 HD2 PHE A 54 -7.481 4.668 2.525 1.00 72.35 H new ATOM 0 HE1 PHE A 54 -11.608 6.357 4.603 1.00 21.24 H new ATOM 0 HE2 PHE A 54 -8.250 3.736 4.666 1.00 65.54 H new ATOM 0 HZ PHE A 54 -10.314 4.578 5.705 1.00 41.33 H new ATOM 894 N LEU A 55 -5.677 7.238 1.598 1.00 15.23 N ATOM 895 CA LEU A 55 -4.459 7.028 2.401 1.00 4.25 C ATOM 896 C LEU A 55 -3.845 8.355 2.894 1.00 54.35 C ATOM 897 O LEU A 55 -3.147 8.391 3.908 1.00 32.51 O ATOM 898 CB LEU A 55 -3.416 6.256 1.581 1.00 42.50 C ATOM 899 CG LEU A 55 -3.861 4.877 1.057 1.00 25.33 C ATOM 900 CD1 LEU A 55 -2.750 4.231 0.231 1.00 74.41 C ATOM 901 CD2 LEU A 55 -4.276 3.964 2.209 1.00 13.53 C ATOM 0 H LEU A 55 -5.633 6.832 0.663 1.00 15.23 H new ATOM 0 HA LEU A 55 -4.749 6.451 3.279 1.00 4.25 H new ATOM 0 HB2 LEU A 55 -3.124 6.870 0.729 1.00 42.50 H new ATOM 0 HB3 LEU A 55 -2.526 6.120 2.196 1.00 42.50 H new ATOM 0 HG LEU A 55 -4.728 5.023 0.412 1.00 25.33 H new ATOM 0 HD11 LEU A 55 -3.084 3.258 -0.130 1.00 74.41 H new ATOM 0 HD12 LEU A 55 -2.510 4.870 -0.618 1.00 74.41 H new ATOM 0 HD13 LEU A 55 -1.863 4.103 0.851 1.00 74.41 H new ATOM 0 HD21 LEU A 55 -4.586 2.997 1.813 1.00 13.53 H new ATOM 0 HD22 LEU A 55 -3.433 3.826 2.886 1.00 13.53 H new ATOM 0 HD23 LEU A 55 -5.106 4.417 2.751 1.00 13.53 H new ATOM 913 N ARG A 56 -4.099 9.438 2.161 1.00 54.45 N ATOM 914 CA ARG A 56 -3.599 10.771 2.527 1.00 21.14 C ATOM 915 C ARG A 56 -4.215 11.282 3.846 1.00 52.32 C ATOM 916 O ARG A 56 -3.563 11.996 4.610 1.00 51.41 O ATOM 917 CB ARG A 56 -3.910 11.770 1.401 1.00 54.44 C ATOM 918 CG ARG A 56 -5.406 11.966 1.169 1.00 33.31 C ATOM 919 CD ARG A 56 -5.700 12.961 0.052 1.00 23.01 C ATOM 920 NE ARG A 56 -7.138 13.125 -0.154 1.00 61.03 N ATOM 921 CZ ARG A 56 -7.670 14.048 -0.906 1.00 70.01 C ATOM 922 NH1 ARG A 56 -6.921 14.858 -1.584 1.00 63.31 N ATOM 923 NH2 ARG A 56 -8.956 14.142 -0.996 1.00 12.42 N ATOM 0 H ARG A 56 -4.651 9.422 1.304 1.00 54.45 H new ATOM 0 HA ARG A 56 -2.522 10.686 2.672 1.00 21.14 H new ATOM 0 HB2 ARG A 56 -3.457 12.732 1.642 1.00 54.44 H new ATOM 0 HB3 ARG A 56 -3.448 11.422 0.477 1.00 54.44 H new ATOM 0 HG2 ARG A 56 -5.861 11.006 0.925 1.00 33.31 H new ATOM 0 HG3 ARG A 56 -5.871 12.313 2.092 1.00 33.31 H new ATOM 0 HD2 ARG A 56 -5.254 13.925 0.295 1.00 23.01 H new ATOM 0 HD3 ARG A 56 -5.235 12.619 -0.873 1.00 23.01 H new ATOM 0 HE ARG A 56 -7.765 12.476 0.321 1.00 61.03 H new ATOM 0 HH11 ARG A 56 -5.905 14.777 -1.533 1.00 63.31 H new ATOM 0 HH12 ARG A 56 -7.347 15.577 -2.169 1.00 63.31 H new ATOM 0 HH21 ARG A 56 -9.552 13.495 -0.480 1.00 12.42 H new ATOM 0 HH22 ARG A 56 -9.375 14.863 -1.583 1.00 12.42 H new ATOM 937 N LYS A 57 -5.475 10.917 4.103 1.00 31.10 N ATOM 938 CA LYS A 57 -6.219 11.445 5.256 1.00 11.10 C ATOM 939 C LYS A 57 -6.302 10.438 6.416 1.00 41.31 C ATOM 940 O LYS A 57 -6.512 10.827 7.566 1.00 43.24 O ATOM 941 CB LYS A 57 -7.633 11.860 4.815 1.00 63.00 C ATOM 942 CG LYS A 57 -8.449 10.723 4.203 1.00 2.23 C ATOM 943 CD LYS A 57 -9.797 11.191 3.653 1.00 1.32 C ATOM 944 CE LYS A 57 -10.823 11.472 4.751 1.00 13.42 C ATOM 945 NZ LYS A 57 -10.437 12.617 5.617 1.00 20.42 N ATOM 0 H LYS A 57 -6.003 10.259 3.530 1.00 31.10 H new ATOM 0 HA LYS A 57 -5.674 12.313 5.626 1.00 11.10 H new ATOM 0 HB2 LYS A 57 -8.170 12.257 5.677 1.00 63.00 H new ATOM 0 HB3 LYS A 57 -7.554 12.669 4.089 1.00 63.00 H new ATOM 0 HG2 LYS A 57 -7.875 10.261 3.400 1.00 2.23 H new ATOM 0 HG3 LYS A 57 -8.617 9.955 4.958 1.00 2.23 H new ATOM 0 HD2 LYS A 57 -9.648 12.095 3.062 1.00 1.32 H new ATOM 0 HD3 LYS A 57 -10.192 10.431 2.979 1.00 1.32 H new ATOM 0 HE2 LYS A 57 -11.791 11.677 4.294 1.00 13.42 H new ATOM 0 HE3 LYS A 57 -10.944 10.581 5.367 1.00 13.42 H new ATOM 0 HZ1 LYS A 57 -11.284 13.167 5.863 1.00 20.42 H new ATOM 0 HZ2 LYS A 57 -9.991 12.260 6.486 1.00 20.42 H new ATOM 0 HZ3 LYS A 57 -9.765 13.226 5.108 1.00 20.42 H new ATOM 959 N THR A 58 -6.148 9.149 6.117 1.00 14.05 N ATOM 960 CA THR A 58 -6.245 8.102 7.144 1.00 41.24 C ATOM 961 C THR A 58 -4.858 7.627 7.608 1.00 43.14 C ATOM 962 O THR A 58 -4.113 7.005 6.847 1.00 64.44 O ATOM 963 CB THR A 58 -7.059 6.889 6.638 1.00 40.33 C ATOM 964 OG1 THR A 58 -8.364 7.314 6.214 1.00 11.31 O ATOM 965 CG2 THR A 58 -7.201 5.829 7.725 1.00 40.43 C ATOM 0 H THR A 58 -5.956 8.801 5.177 1.00 14.05 H new ATOM 0 HA THR A 58 -6.762 8.549 7.993 1.00 41.24 H new ATOM 0 HB THR A 58 -6.522 6.453 5.796 1.00 40.33 H new ATOM 0 HG1 THR A 58 -8.805 6.584 5.730 1.00 11.31 H new ATOM 0 HG21 THR A 58 -7.778 4.988 7.340 1.00 40.43 H new ATOM 0 HG22 THR A 58 -6.213 5.483 8.027 1.00 40.43 H new ATOM 0 HG23 THR A 58 -7.714 6.257 8.586 1.00 40.43 H new ATOM 973 N ASP A 59 -4.542 7.902 8.876 1.00 71.13 N ATOM 974 CA ASP A 59 -3.222 7.613 9.453 1.00 44.23 C ATOM 975 C ASP A 59 -2.849 6.121 9.359 1.00 50.15 C ATOM 976 O ASP A 59 -1.921 5.743 8.638 1.00 52.20 O ATOM 977 CB ASP A 59 -3.192 8.045 10.922 1.00 44.40 C ATOM 978 CG ASP A 59 -3.664 9.475 11.118 1.00 23.13 C ATOM 979 OD1 ASP A 59 -4.890 9.693 11.191 1.00 15.12 O ATOM 980 OD2 ASP A 59 -2.812 10.387 11.214 1.00 1.22 O ATOM 0 H ASP A 59 -5.193 8.331 9.534 1.00 71.13 H new ATOM 0 HA ASP A 59 -2.491 8.175 8.872 1.00 44.23 H new ATOM 0 HB2 ASP A 59 -3.822 7.375 11.507 1.00 44.40 H new ATOM 0 HB3 ASP A 59 -2.177 7.945 11.306 1.00 44.40 H new ATOM 985 N TRP A 60 -3.581 5.280 10.091 1.00 10.35 N ATOM 986 CA TRP A 60 -3.267 3.848 10.176 1.00 45.21 C ATOM 987 C TRP A 60 -3.253 3.174 8.794 1.00 5.25 C ATOM 988 O TRP A 60 -2.445 2.281 8.547 1.00 70.34 O ATOM 989 CB TRP A 60 -4.257 3.133 11.107 1.00 12.50 C ATOM 990 CG TRP A 60 -5.680 3.152 10.619 1.00 3.53 C ATOM 991 CD1 TRP A 60 -6.600 4.148 10.797 1.00 73.23 C ATOM 992 CD2 TRP A 60 -6.345 2.120 9.881 1.00 52.54 C ATOM 993 NE1 TRP A 60 -7.790 3.799 10.207 1.00 21.13 N ATOM 994 CE2 TRP A 60 -7.659 2.559 9.640 1.00 13.03 C ATOM 995 CE3 TRP A 60 -5.953 0.867 9.395 1.00 1.21 C ATOM 996 CZ2 TRP A 60 -8.586 1.789 8.938 1.00 14.34 C ATOM 997 CZ3 TRP A 60 -6.872 0.105 8.700 1.00 71.22 C ATOM 998 CH2 TRP A 60 -8.174 0.569 8.475 1.00 2.33 C ATOM 0 H TRP A 60 -4.396 5.563 10.635 1.00 10.35 H new ATOM 0 HA TRP A 60 -2.262 3.764 10.590 1.00 45.21 H new ATOM 0 HB2 TRP A 60 -3.940 2.097 11.231 1.00 12.50 H new ATOM 0 HB3 TRP A 60 -4.215 3.599 12.091 1.00 12.50 H new ATOM 0 HD1 TRP A 60 -6.418 5.073 11.324 1.00 73.23 H new ATOM 0 HE1 TRP A 60 -8.635 4.371 10.193 1.00 21.13 H new ATOM 0 HE3 TRP A 60 -4.950 0.503 9.561 1.00 1.21 H new ATOM 0 HZ2 TRP A 60 -9.592 2.143 8.766 1.00 14.34 H new ATOM 0 HZ3 TRP A 60 -6.582 -0.865 8.324 1.00 71.22 H new ATOM 0 HH2 TRP A 60 -8.868 -0.049 7.924 1.00 2.33 H new ATOM 1009 N ALA A 61 -4.142 3.604 7.899 1.00 71.21 N ATOM 1010 CA ALA A 61 -4.194 3.052 6.542 1.00 54.05 C ATOM 1011 C ALA A 61 -2.873 3.281 5.795 1.00 4.41 C ATOM 1012 O ALA A 61 -2.294 2.346 5.237 1.00 21.13 O ATOM 1013 CB ALA A 61 -5.358 3.653 5.763 1.00 65.13 C ATOM 0 H ALA A 61 -4.834 4.330 8.086 1.00 71.21 H new ATOM 0 HA ALA A 61 -4.349 1.976 6.626 1.00 54.05 H new ATOM 0 HB1 ALA A 61 -5.380 3.231 4.758 1.00 65.13 H new ATOM 0 HB2 ALA A 61 -6.294 3.424 6.273 1.00 65.13 H new ATOM 0 HB3 ALA A 61 -5.234 4.734 5.700 1.00 65.13 H new ATOM 1019 N ARG A 62 -2.394 4.527 5.800 1.00 32.40 N ATOM 1020 CA ARG A 62 -1.107 4.858 5.179 1.00 2.42 C ATOM 1021 C ARG A 62 0.037 4.071 5.839 1.00 2.11 C ATOM 1022 O ARG A 62 0.867 3.468 5.157 1.00 5.52 O ATOM 1023 CB ARG A 62 -0.830 6.366 5.285 1.00 52.24 C ATOM 1024 CG ARG A 62 0.426 6.815 4.540 1.00 3.51 C ATOM 1025 CD ARG A 62 0.711 8.301 4.733 1.00 11.21 C ATOM 1026 NE ARG A 62 1.818 8.765 3.891 1.00 71.14 N ATOM 1027 CZ ARG A 62 3.037 8.980 4.314 1.00 60.23 C ATOM 1028 NH1 ARG A 62 3.364 8.760 5.547 1.00 65.53 N ATOM 1029 NH2 ARG A 62 3.939 9.411 3.493 1.00 31.13 N ATOM 0 H ARG A 62 -2.874 5.321 6.225 1.00 32.40 H new ATOM 0 HA ARG A 62 -1.161 4.580 4.126 1.00 2.42 H new ATOM 0 HB2 ARG A 62 -1.688 6.912 4.894 1.00 52.24 H new ATOM 0 HB3 ARG A 62 -0.733 6.635 6.337 1.00 52.24 H new ATOM 0 HG2 ARG A 62 1.280 6.235 4.889 1.00 3.51 H new ATOM 0 HG3 ARG A 62 0.310 6.604 3.477 1.00 3.51 H new ATOM 0 HD2 ARG A 62 -0.186 8.875 4.500 1.00 11.21 H new ATOM 0 HD3 ARG A 62 0.948 8.491 5.780 1.00 11.21 H new ATOM 0 HE ARG A 62 1.623 8.932 2.904 1.00 71.14 H new ATOM 0 HH11 ARG A 62 2.666 8.414 6.206 1.00 65.53 H new ATOM 0 HH12 ARG A 62 4.319 8.933 5.860 1.00 65.53 H new ATOM 0 HH21 ARG A 62 3.699 9.583 2.517 1.00 31.13 H new ATOM 0 HH22 ARG A 62 4.890 9.579 3.822 1.00 31.13 H new ATOM 1043 N GLU A 63 0.057 4.079 7.175 1.00 12.33 N ATOM 1044 CA GLU A 63 1.074 3.360 7.954 1.00 30.34 C ATOM 1045 C GLU A 63 1.096 1.857 7.624 1.00 24.31 C ATOM 1046 O GLU A 63 2.164 1.255 7.526 1.00 33.24 O ATOM 1047 CB GLU A 63 0.826 3.563 9.456 1.00 11.31 C ATOM 1048 CG GLU A 63 1.032 4.999 9.935 1.00 23.25 C ATOM 1049 CD GLU A 63 0.726 5.179 11.415 1.00 1.44 C ATOM 1050 OE1 GLU A 63 1.007 4.251 12.205 1.00 65.12 O ATOM 1051 OE2 GLU A 63 0.220 6.256 11.799 1.00 74.52 O ATOM 0 H GLU A 63 -0.625 4.579 7.745 1.00 12.33 H new ATOM 0 HA GLU A 63 2.047 3.771 7.684 1.00 30.34 H new ATOM 0 HB2 GLU A 63 -0.194 3.257 9.689 1.00 11.31 H new ATOM 0 HB3 GLU A 63 1.492 2.906 10.015 1.00 11.31 H new ATOM 0 HG2 GLU A 63 2.063 5.296 9.744 1.00 23.25 H new ATOM 0 HG3 GLU A 63 0.395 5.666 9.354 1.00 23.25 H new ATOM 1058 N ARG A 64 -0.082 1.253 7.452 1.00 34.01 N ATOM 1059 CA ARG A 64 -0.172 -0.164 7.070 1.00 33.23 C ATOM 1060 C ARG A 64 0.479 -0.402 5.701 1.00 3.41 C ATOM 1061 O ARG A 64 1.292 -1.312 5.540 1.00 0.22 O ATOM 1062 CB ARG A 64 -1.638 -0.636 7.030 1.00 43.41 C ATOM 1063 CG ARG A 64 -2.329 -0.721 8.395 1.00 14.31 C ATOM 1064 CD ARG A 64 -1.714 -1.793 9.297 1.00 54.42 C ATOM 1065 NE ARG A 64 -0.400 -1.406 9.808 1.00 25.12 N ATOM 1066 CZ ARG A 64 0.486 -2.241 10.288 1.00 64.44 C ATOM 1067 NH1 ARG A 64 0.264 -3.516 10.301 1.00 1.31 N ATOM 1068 NH2 ARG A 64 1.605 -1.788 10.750 1.00 15.23 N ATOM 0 H ARG A 64 -0.983 1.717 7.569 1.00 34.01 H new ATOM 0 HA ARG A 64 0.363 -0.740 7.825 1.00 33.23 H new ATOM 0 HB2 ARG A 64 -2.205 0.044 6.394 1.00 43.41 H new ATOM 0 HB3 ARG A 64 -1.675 -1.618 6.559 1.00 43.41 H new ATOM 0 HG2 ARG A 64 -2.266 0.247 8.892 1.00 14.31 H new ATOM 0 HG3 ARG A 64 -3.388 -0.936 8.250 1.00 14.31 H new ATOM 0 HD2 ARG A 64 -2.384 -1.987 10.135 1.00 54.42 H new ATOM 0 HD3 ARG A 64 -1.624 -2.725 8.739 1.00 54.42 H new ATOM 0 HE ARG A 64 -0.157 -0.416 9.789 1.00 25.12 H new ATOM 0 HH11 ARG A 64 -0.613 -3.885 9.933 1.00 1.31 H new ATOM 0 HH12 ARG A 64 0.966 -4.152 10.679 1.00 1.31 H new ATOM 0 HH21 ARG A 64 1.793 -0.786 10.739 1.00 15.23 H new ATOM 0 HH22 ARG A 64 2.300 -2.433 11.126 1.00 15.23 H new ATOM 1082 N VAL A 65 0.118 0.428 4.723 1.00 63.11 N ATOM 1083 CA VAL A 65 0.673 0.323 3.367 1.00 62.01 C ATOM 1084 C VAL A 65 2.210 0.429 3.377 1.00 24.14 C ATOM 1085 O VAL A 65 2.907 -0.416 2.804 1.00 72.24 O ATOM 1086 CB VAL A 65 0.082 1.415 2.437 1.00 31.55 C ATOM 1087 CG1 VAL A 65 0.695 1.341 1.039 1.00 30.12 C ATOM 1088 CG2 VAL A 65 -1.439 1.288 2.369 1.00 14.25 C ATOM 0 H VAL A 65 -0.557 1.183 4.841 1.00 63.11 H new ATOM 0 HA VAL A 65 0.395 -0.659 2.983 1.00 62.01 H new ATOM 0 HB VAL A 65 0.331 2.390 2.857 1.00 31.55 H new ATOM 0 HG11 VAL A 65 0.261 2.118 0.410 1.00 30.12 H new ATOM 0 HG12 VAL A 65 1.773 1.488 1.106 1.00 30.12 H new ATOM 0 HG13 VAL A 65 0.489 0.364 0.602 1.00 30.12 H new ATOM 0 HG21 VAL A 65 -1.840 2.061 1.713 1.00 14.25 H new ATOM 0 HG22 VAL A 65 -1.705 0.306 1.978 1.00 14.25 H new ATOM 0 HG23 VAL A 65 -1.859 1.407 3.368 1.00 14.25 H new ATOM 1098 N GLU A 66 2.728 1.464 4.042 1.00 34.44 N ATOM 1099 CA GLU A 66 4.179 1.649 4.188 1.00 25.10 C ATOM 1100 C GLU A 66 4.816 0.452 4.910 1.00 44.12 C ATOM 1101 O GLU A 66 5.851 -0.072 4.490 1.00 71.41 O ATOM 1102 CB GLU A 66 4.481 2.942 4.966 1.00 24.20 C ATOM 1103 CG GLU A 66 3.864 4.198 4.358 1.00 42.04 C ATOM 1104 CD GLU A 66 4.275 5.467 5.091 1.00 70.04 C ATOM 1105 OE1 GLU A 66 3.751 5.726 6.199 1.00 2.34 O ATOM 1106 OE2 GLU A 66 5.144 6.200 4.577 1.00 10.44 O ATOM 0 H GLU A 66 2.166 2.189 4.489 1.00 34.44 H new ATOM 0 HA GLU A 66 4.608 1.723 3.189 1.00 25.10 H new ATOM 0 HB2 GLU A 66 4.118 2.831 5.988 1.00 24.20 H new ATOM 0 HB3 GLU A 66 5.561 3.073 5.024 1.00 24.20 H new ATOM 0 HG2 GLU A 66 4.162 4.275 3.312 1.00 42.04 H new ATOM 0 HG3 GLU A 66 2.778 4.109 4.375 1.00 42.04 H new ATOM 1113 N ASN A 67 4.174 0.017 5.993 1.00 21.34 N ATOM 1114 CA ASN A 67 4.652 -1.117 6.789 1.00 1.22 C ATOM 1115 C ASN A 67 4.763 -2.398 5.944 1.00 72.04 C ATOM 1116 O ASN A 67 5.710 -3.168 6.096 1.00 74.43 O ATOM 1117 CB ASN A 67 3.720 -1.350 7.980 1.00 40.33 C ATOM 1118 CG ASN A 67 4.191 -2.476 8.880 1.00 53.31 C ATOM 1119 OD1 ASN A 67 3.811 -3.628 8.708 1.00 5.30 O ATOM 1120 ND2 ASN A 67 5.020 -2.152 9.847 1.00 53.13 N ATOM 0 H ASN A 67 3.313 0.436 6.344 1.00 21.34 H new ATOM 0 HA ASN A 67 5.650 -0.873 7.152 1.00 1.22 H new ATOM 0 HB2 ASN A 67 3.645 -0.432 8.563 1.00 40.33 H new ATOM 0 HB3 ASN A 67 2.719 -1.578 7.614 1.00 40.33 H new ATOM 0 HD21 ASN A 67 5.367 -2.870 10.483 1.00 53.13 H new ATOM 0 HD22 ASN A 67 5.316 -1.183 9.962 1.00 53.13 H new ATOM 1127 N ILE A 68 3.795 -2.623 5.060 1.00 31.23 N ATOM 1128 CA ILE A 68 3.823 -3.784 4.164 1.00 22.13 C ATOM 1129 C ILE A 68 5.023 -3.717 3.201 1.00 51.50 C ATOM 1130 O ILE A 68 5.640 -4.739 2.889 1.00 44.22 O ATOM 1131 CB ILE A 68 2.506 -3.911 3.357 1.00 64.04 C ATOM 1132 CG1 ILE A 68 1.320 -4.148 4.310 1.00 62.03 C ATOM 1133 CG2 ILE A 68 2.601 -5.035 2.323 1.00 30.21 C ATOM 1134 CD1 ILE A 68 -0.013 -4.269 3.604 1.00 55.44 C ATOM 0 H ILE A 68 2.981 -2.020 4.942 1.00 31.23 H new ATOM 0 HA ILE A 68 3.928 -4.668 4.792 1.00 22.13 H new ATOM 0 HB ILE A 68 2.342 -2.977 2.820 1.00 64.04 H new ATOM 0 HG12 ILE A 68 1.502 -5.057 4.883 1.00 62.03 H new ATOM 0 HG13 ILE A 68 1.270 -3.326 5.024 1.00 62.03 H new ATOM 0 HG21 ILE A 68 1.663 -5.102 1.771 1.00 30.21 H new ATOM 0 HG22 ILE A 68 3.416 -4.824 1.630 1.00 30.21 H new ATOM 0 HG23 ILE A 68 2.792 -5.981 2.830 1.00 30.21 H new ATOM 0 HD11 ILE A 68 -0.800 -4.435 4.339 1.00 55.44 H new ATOM 0 HD12 ILE A 68 -0.218 -3.351 3.054 1.00 55.44 H new ATOM 0 HD13 ILE A 68 0.018 -5.109 2.910 1.00 55.44 H new ATOM 1146 N TYR A 69 5.358 -2.511 2.747 1.00 63.44 N ATOM 1147 CA TYR A 69 6.538 -2.310 1.899 1.00 73.31 C ATOM 1148 C TYR A 69 7.822 -2.648 2.672 1.00 31.30 C ATOM 1149 O TYR A 69 8.756 -3.241 2.129 1.00 22.13 O ATOM 1150 CB TYR A 69 6.590 -0.865 1.389 1.00 54.14 C ATOM 1151 CG TYR A 69 7.632 -0.634 0.306 1.00 52.32 C ATOM 1152 CD1 TYR A 69 7.341 -0.902 -1.028 1.00 33.54 C ATOM 1153 CD2 TYR A 69 8.903 -0.155 0.614 1.00 64.13 C ATOM 1154 CE1 TYR A 69 8.281 -0.700 -2.019 1.00 32.42 C ATOM 1155 CE2 TYR A 69 9.849 0.050 -0.375 1.00 10.00 C ATOM 1156 CZ TYR A 69 9.532 -0.223 -1.688 1.00 74.23 C ATOM 1157 OH TYR A 69 10.470 -0.020 -2.678 1.00 74.12 O ATOM 0 H TYR A 69 4.834 -1.660 2.949 1.00 63.44 H new ATOM 0 HA TYR A 69 6.463 -2.980 1.042 1.00 73.31 H new ATOM 0 HB2 TYR A 69 5.609 -0.591 1.001 1.00 54.14 H new ATOM 0 HB3 TYR A 69 6.798 -0.201 2.228 1.00 54.14 H new ATOM 0 HD1 TYR A 69 6.363 -1.275 -1.293 1.00 33.54 H new ATOM 0 HD2 TYR A 69 9.155 0.060 1.642 1.00 64.13 H new ATOM 0 HE1 TYR A 69 8.038 -0.915 -3.049 1.00 32.42 H new ATOM 0 HE2 TYR A 69 10.830 0.422 -0.119 1.00 10.00 H new ATOM 0 HH TYR A 69 10.021 0.271 -3.499 1.00 74.12 H new ATOM 1167 N LEU A 70 7.859 -2.262 3.946 1.00 1.11 N ATOM 1168 CA LEU A 70 8.968 -2.633 4.833 1.00 31.34 C ATOM 1169 C LEU A 70 8.991 -4.152 5.065 1.00 74.13 C ATOM 1170 O LEU A 70 10.053 -4.774 5.059 1.00 52.14 O ATOM 1171 CB LEU A 70 8.857 -1.895 6.175 1.00 32.02 C ATOM 1172 CG LEU A 70 8.848 -0.360 6.082 1.00 55.10 C ATOM 1173 CD1 LEU A 70 8.752 0.264 7.471 1.00 45.43 C ATOM 1174 CD2 LEU A 70 10.087 0.151 5.343 1.00 53.34 C ATOM 0 H LEU A 70 7.137 -1.694 4.390 1.00 1.11 H new ATOM 0 HA LEU A 70 9.901 -2.340 4.350 1.00 31.34 H new ATOM 0 HB2 LEU A 70 7.943 -2.218 6.674 1.00 32.02 H new ATOM 0 HB3 LEU A 70 9.690 -2.199 6.808 1.00 32.02 H new ATOM 0 HG LEU A 70 7.968 -0.062 5.512 1.00 55.10 H new ATOM 0 HD11 LEU A 70 8.747 1.350 7.382 1.00 45.43 H new ATOM 0 HD12 LEU A 70 7.832 -0.065 7.955 1.00 45.43 H new ATOM 0 HD13 LEU A 70 9.608 -0.047 8.070 1.00 45.43 H new ATOM 0 HD21 LEU A 70 10.056 1.239 5.291 1.00 53.34 H new ATOM 0 HD22 LEU A 70 10.984 -0.162 5.877 1.00 53.34 H new ATOM 0 HD23 LEU A 70 10.104 -0.260 4.334 1.00 53.34 H new ATOM 1186 N LYS A 71 7.805 -4.734 5.262 1.00 31.04 N ATOM 1187 CA LYS A 71 7.650 -6.191 5.397 1.00 15.15 C ATOM 1188 C LYS A 71 8.159 -6.928 4.150 1.00 4.43 C ATOM 1189 O LYS A 71 8.678 -8.043 4.246 1.00 22.24 O ATOM 1190 CB LYS A 71 6.179 -6.553 5.641 1.00 61.02 C ATOM 1191 CG LYS A 71 5.695 -6.281 7.062 1.00 1.14 C ATOM 1192 CD LYS A 71 4.197 -6.547 7.218 1.00 73.12 C ATOM 1193 CE LYS A 71 3.794 -7.926 6.699 1.00 52.14 C ATOM 1194 NZ LYS A 71 4.534 -9.026 7.373 1.00 14.45 N ATOM 0 H LYS A 71 6.929 -4.216 5.332 1.00 31.04 H new ATOM 0 HA LYS A 71 8.249 -6.506 6.252 1.00 15.15 H new ATOM 0 HB2 LYS A 71 5.558 -5.991 4.944 1.00 61.02 H new ATOM 0 HB3 LYS A 71 6.034 -7.610 5.416 1.00 61.02 H new ATOM 0 HG2 LYS A 71 6.249 -6.908 7.760 1.00 1.14 H new ATOM 0 HG3 LYS A 71 5.909 -5.245 7.326 1.00 1.14 H new ATOM 0 HD2 LYS A 71 3.923 -6.463 8.270 1.00 73.12 H new ATOM 0 HD3 LYS A 71 3.637 -5.782 6.681 1.00 73.12 H new ATOM 0 HE2 LYS A 71 2.724 -8.068 6.847 1.00 52.14 H new ATOM 0 HE3 LYS A 71 3.976 -7.974 5.625 1.00 52.14 H new ATOM 0 HZ1 LYS A 71 4.201 -9.942 7.010 1.00 14.45 H new ATOM 0 HZ2 LYS A 71 5.552 -8.928 7.182 1.00 14.45 H new ATOM 0 HZ3 LYS A 71 4.368 -8.979 8.399 1.00 14.45 H new ATOM 1208 N LEU A 72 7.985 -6.307 2.986 1.00 12.24 N ATOM 1209 CA LEU A 72 8.545 -6.829 1.738 1.00 24.54 C ATOM 1210 C LEU A 72 10.067 -6.962 1.856 1.00 64.42 C ATOM 1211 O LEU A 72 10.621 -8.048 1.696 1.00 32.54 O ATOM 1212 CB LEU A 72 8.184 -5.903 0.566 1.00 42.14 C ATOM 1213 CG LEU A 72 8.746 -6.314 -0.806 1.00 70.24 C ATOM 1214 CD1 LEU A 72 8.182 -7.664 -1.251 1.00 52.30 C ATOM 1215 CD2 LEU A 72 8.456 -5.234 -1.844 1.00 21.45 C ATOM 0 H LEU A 72 7.460 -5.439 2.879 1.00 12.24 H new ATOM 0 HA LEU A 72 8.120 -7.815 1.550 1.00 24.54 H new ATOM 0 HB2 LEU A 72 7.098 -5.848 0.492 1.00 42.14 H new ATOM 0 HB3 LEU A 72 8.539 -4.899 0.798 1.00 42.14 H new ATOM 0 HG LEU A 72 9.827 -6.422 -0.713 1.00 70.24 H new ATOM 0 HD11 LEU A 72 8.597 -7.929 -2.224 1.00 52.30 H new ATOM 0 HD12 LEU A 72 8.450 -8.429 -0.522 1.00 52.30 H new ATOM 0 HD13 LEU A 72 7.097 -7.598 -1.325 1.00 52.30 H new ATOM 0 HD21 LEU A 72 8.860 -5.539 -2.809 1.00 21.45 H new ATOM 0 HD22 LEU A 72 7.379 -5.092 -1.930 1.00 21.45 H new ATOM 0 HD23 LEU A 72 8.922 -4.298 -1.535 1.00 21.45 H new ATOM 1227 N GLN A 73 10.725 -5.847 2.174 1.00 2.42 N ATOM 1228 CA GLN A 73 12.182 -5.819 2.342 1.00 14.34 C ATOM 1229 C GLN A 73 12.634 -6.758 3.478 1.00 40.41 C ATOM 1230 O GLN A 73 13.759 -7.257 3.475 1.00 52.42 O ATOM 1231 CB GLN A 73 12.644 -4.377 2.612 1.00 51.25 C ATOM 1232 CG GLN A 73 12.180 -3.379 1.548 1.00 72.24 C ATOM 1233 CD GLN A 73 12.704 -3.700 0.155 1.00 1.04 C ATOM 1234 OE1 GLN A 73 13.802 -4.220 -0.011 1.00 72.22 O ATOM 1235 NE2 GLN A 73 11.914 -3.408 -0.860 1.00 23.21 N ATOM 0 H GLN A 73 10.271 -4.946 2.322 1.00 2.42 H new ATOM 0 HA GLN A 73 12.643 -6.176 1.421 1.00 14.34 H new ATOM 0 HB2 GLN A 73 12.269 -4.060 3.585 1.00 51.25 H new ATOM 0 HB3 GLN A 73 13.732 -4.357 2.668 1.00 51.25 H new ATOM 0 HG2 GLN A 73 11.090 -3.363 1.524 1.00 72.24 H new ATOM 0 HG3 GLN A 73 12.507 -2.378 1.830 1.00 72.24 H new ATOM 0 HE21 GLN A 73 11.006 -2.976 -0.691 1.00 23.21 H new ATOM 0 HE22 GLN A 73 12.211 -3.615 -1.814 1.00 23.21 H new