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 Set 1.1: A 41 CYS SG : rot -78:sc= -1.67! USER MOD Set 1.2: A 51 SER OG : rot 85:sc= 1.1 USER MOD Set 2.1: A 18 GLN : amide:sc= -1.01 K(o=-0.22,f=-1.3) USER MOD Set 2.2: A 22 THR OG1 : rot 67:sc= 0.785 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0.458 (180deg=0.333) USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.18 F(o=-0.68,f=0.18) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -74:sc= 0.933 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= -1.31 (180deg=-1.31) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0136 (180deg=-0.236) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 0.0981 (180deg=-0.273) USER MOD Single : A 47 SER OG : rot 63:sc= 0.463 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0379 (180deg=-0.23) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc=-0.00518 (180deg=-0.163) USER MOD Single : A 58 THR OG1 : rot 149:sc= 0.873 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.831 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 1.05 (180deg=0.887) USER MOD Single : A 73 GLN : amide:sc= 0.0754 K(o=0.075,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.817 6.155 -3.335 1.00 44.35 N ATOM 220 CA ILE A 15 10.462 5.620 -3.511 1.00 0.05 C ATOM 221 C ILE A 15 9.414 6.413 -2.706 1.00 51.34 C ATOM 222 O ILE A 15 9.472 6.486 -1.478 1.00 23.02 O ATOM 223 CB ILE A 15 10.412 4.119 -3.111 1.00 31.00 C ATOM 224 CG1 ILE A 15 11.344 3.299 -4.028 1.00 24.33 C ATOM 225 CG2 ILE A 15 8.982 3.578 -3.171 1.00 33.05 C ATOM 226 CD1 ILE A 15 11.382 1.819 -3.704 1.00 42.20 C ATOM 0 HA ILE A 15 10.214 5.722 -4.568 1.00 0.05 H new ATOM 0 HB ILE A 15 10.757 4.025 -2.081 1.00 31.00 H new ATOM 0 HG12 ILE A 15 11.023 3.426 -5.062 1.00 24.33 H new ATOM 0 HG13 ILE A 15 12.354 3.702 -3.956 1.00 24.33 H new ATOM 0 HG21 ILE A 15 8.979 2.526 -2.886 1.00 33.05 H new ATOM 0 HG22 ILE A 15 8.351 4.142 -2.484 1.00 33.05 H new ATOM 0 HG23 ILE A 15 8.597 3.680 -4.185 1.00 33.05 H new ATOM 0 HD11 ILE A 15 12.059 1.313 -4.392 1.00 42.20 H new ATOM 0 HD12 ILE A 15 11.733 1.679 -2.682 1.00 42.20 H new ATOM 0 HD13 ILE A 15 10.381 1.399 -3.805 1.00 42.20 H new ATOM 238 N THR A 16 8.468 7.019 -3.420 1.00 43.40 N ATOM 239 CA THR A 16 7.375 7.782 -2.796 1.00 64.42 C ATOM 240 C THR A 16 6.260 6.849 -2.312 1.00 73.21 C ATOM 241 O THR A 16 6.297 5.647 -2.569 1.00 42.23 O ATOM 242 CB THR A 16 6.757 8.795 -3.793 1.00 74.05 C ATOM 243 OG1 THR A 16 6.076 8.092 -4.850 1.00 24.43 O ATOM 244 CG2 THR A 16 7.832 9.704 -4.386 1.00 44.34 C ATOM 0 H THR A 16 8.432 6.999 -4.439 1.00 43.40 H new ATOM 0 HA THR A 16 7.807 8.316 -1.950 1.00 64.42 H new ATOM 0 HB THR A 16 6.043 9.415 -3.250 1.00 74.05 H new ATOM 0 HG1 THR A 16 5.687 8.739 -5.475 1.00 24.43 H new ATOM 0 HG21 THR A 16 7.372 10.405 -5.082 1.00 44.34 H new ATOM 0 HG22 THR A 16 8.323 10.257 -3.585 1.00 44.34 H new ATOM 0 HG23 THR A 16 8.569 9.099 -4.914 1.00 44.34 H new ATOM 252 N LEU A 17 5.257 7.404 -1.627 1.00 42.10 N ATOM 253 CA LEU A 17 4.088 6.622 -1.199 1.00 45.20 C ATOM 254 C LEU A 17 3.361 6.021 -2.416 1.00 2.53 C ATOM 255 O LEU A 17 2.805 4.921 -2.349 1.00 10.11 O ATOM 256 CB LEU A 17 3.125 7.507 -0.387 1.00 0.25 C ATOM 257 CG LEU A 17 1.853 6.807 0.126 1.00 24.02 C ATOM 258 CD1 LEU A 17 2.207 5.636 1.042 1.00 4.32 C ATOM 259 CD2 LEU A 17 0.933 7.798 0.841 1.00 64.20 C ATOM 0 H LEU A 17 5.228 8.387 -1.357 1.00 42.10 H new ATOM 0 HA LEU A 17 4.433 5.804 -0.567 1.00 45.20 H new ATOM 0 HB2 LEU A 17 3.666 7.912 0.468 1.00 0.25 H new ATOM 0 HB3 LEU A 17 2.828 8.353 -1.006 1.00 0.25 H new ATOM 0 HG LEU A 17 1.317 6.412 -0.737 1.00 24.02 H new ATOM 0 HD11 LEU A 17 1.292 5.158 1.391 1.00 4.32 H new ATOM 0 HD12 LEU A 17 2.807 4.912 0.491 1.00 4.32 H new ATOM 0 HD13 LEU A 17 2.775 6.002 1.898 1.00 4.32 H new ATOM 0 HD21 LEU A 17 0.042 7.278 1.193 1.00 64.20 H new ATOM 0 HD22 LEU A 17 1.458 8.234 1.690 1.00 64.20 H new ATOM 0 HD23 LEU A 17 0.642 8.589 0.149 1.00 64.20 H new ATOM 271 N GLN A 18 3.394 6.747 -3.534 1.00 22.21 N ATOM 272 CA GLN A 18 2.782 6.283 -4.784 1.00 12.53 C ATOM 273 C GLN A 18 3.540 5.066 -5.343 1.00 60.14 C ATOM 274 O GLN A 18 2.942 4.025 -5.627 1.00 43.33 O ATOM 275 CB GLN A 18 2.744 7.430 -5.819 1.00 13.22 C ATOM 276 CG GLN A 18 2.076 7.069 -7.153 1.00 53.31 C ATOM 277 CD GLN A 18 3.000 6.336 -8.117 1.00 15.12 C ATOM 278 OE1 GLN A 18 4.208 6.564 -8.133 1.00 52.25 O ATOM 279 NE2 GLN A 18 2.450 5.447 -8.921 1.00 61.20 N ATOM 0 H GLN A 18 3.839 7.662 -3.601 1.00 22.21 H new ATOM 0 HA GLN A 18 1.758 5.973 -4.575 1.00 12.53 H new ATOM 0 HB2 GLN A 18 2.217 8.278 -5.382 1.00 13.22 H new ATOM 0 HB3 GLN A 18 3.765 7.757 -6.016 1.00 13.22 H new ATOM 0 HG2 GLN A 18 1.202 6.447 -6.956 1.00 53.31 H new ATOM 0 HG3 GLN A 18 1.717 7.981 -7.629 1.00 53.31 H new ATOM 0 HE21 GLN A 18 1.444 5.280 -8.885 1.00 61.20 H new ATOM 0 HE22 GLN A 18 3.030 4.927 -9.579 1.00 61.20 H new ATOM 288 N LYS A 19 4.858 5.205 -5.501 1.00 14.42 N ATOM 289 CA LYS A 19 5.700 4.105 -5.991 1.00 14.14 C ATOM 290 C LYS A 19 5.698 2.937 -4.993 1.00 44.10 C ATOM 291 O LYS A 19 5.824 1.773 -5.376 1.00 21.04 O ATOM 292 CB LYS A 19 7.135 4.603 -6.230 1.00 34.10 C ATOM 293 CG LYS A 19 7.989 3.670 -7.092 1.00 32.45 C ATOM 294 CD LYS A 19 7.394 3.505 -8.490 1.00 23.14 C ATOM 295 CE LYS A 19 8.339 2.767 -9.432 1.00 45.41 C ATOM 296 NZ LYS A 19 8.664 1.397 -8.949 1.00 51.32 N ATOM 0 H LYS A 19 5.367 6.065 -5.298 1.00 14.42 H new ATOM 0 HA LYS A 19 5.290 3.749 -6.936 1.00 14.14 H new ATOM 0 HB2 LYS A 19 7.093 5.582 -6.707 1.00 34.10 H new ATOM 0 HB3 LYS A 19 7.626 4.739 -5.266 1.00 34.10 H new ATOM 0 HG2 LYS A 19 9.001 4.068 -7.170 1.00 32.45 H new ATOM 0 HG3 LYS A 19 8.066 2.695 -6.610 1.00 32.45 H new ATOM 0 HD2 LYS A 19 6.453 2.960 -8.421 1.00 23.14 H new ATOM 0 HD3 LYS A 19 7.164 4.487 -8.904 1.00 23.14 H new ATOM 0 HE2 LYS A 19 7.885 2.703 -10.421 1.00 45.41 H new ATOM 0 HE3 LYS A 19 9.260 3.339 -9.540 1.00 45.41 H new ATOM 0 HZ1 LYS A 19 9.225 0.899 -9.669 1.00 51.32 H new ATOM 0 HZ2 LYS A 19 9.211 1.461 -8.067 1.00 51.32 H new ATOM 0 HZ3 LYS A 19 7.783 0.873 -8.773 1.00 51.32 H new ATOM 310 N LEU A 20 5.544 3.268 -3.713 1.00 52.33 N ATOM 311 CA LEU A 20 5.422 2.269 -2.646 1.00 31.11 C ATOM 312 C LEU A 20 4.199 1.372 -2.894 1.00 53.11 C ATOM 313 O LEU A 20 4.321 0.146 -2.971 1.00 64.41 O ATOM 314 CB LEU A 20 5.324 2.993 -1.285 1.00 45.02 C ATOM 315 CG LEU A 20 5.393 2.113 -0.016 1.00 23.12 C ATOM 316 CD1 LEU A 20 5.808 2.953 1.191 1.00 1.43 C ATOM 317 CD2 LEU A 20 4.054 1.429 0.269 1.00 72.11 C ATOM 0 H LEU A 20 5.500 4.232 -3.384 1.00 52.33 H new ATOM 0 HA LEU A 20 6.303 1.627 -2.637 1.00 31.11 H new ATOM 0 HB2 LEU A 20 6.128 3.727 -1.233 1.00 45.02 H new ATOM 0 HB3 LEU A 20 4.386 3.547 -1.263 1.00 45.02 H new ATOM 0 HG LEU A 20 6.139 1.339 -0.195 1.00 23.12 H new ATOM 0 HD11 LEU A 20 5.852 2.320 2.077 1.00 1.43 H new ATOM 0 HD12 LEU A 20 6.789 3.392 1.009 1.00 1.43 H new ATOM 0 HD13 LEU A 20 5.079 3.748 1.349 1.00 1.43 H new ATOM 0 HD21 LEU A 20 4.141 0.819 1.168 1.00 72.11 H new ATOM 0 HD22 LEU A 20 3.283 2.185 0.417 1.00 72.11 H new ATOM 0 HD23 LEU A 20 3.783 0.795 -0.575 1.00 72.11 H new ATOM 329 N LEU A 21 3.025 1.992 -3.028 1.00 34.23 N ATOM 330 CA LEU A 21 1.793 1.259 -3.350 1.00 44.40 C ATOM 331 C LEU A 21 1.955 0.458 -4.652 1.00 63.20 C ATOM 332 O LEU A 21 1.511 -0.687 -4.754 1.00 42.53 O ATOM 333 CB LEU A 21 0.608 2.231 -3.476 1.00 23.32 C ATOM 334 CG LEU A 21 -0.754 1.579 -3.782 1.00 74.43 C ATOM 335 CD1 LEU A 21 -1.162 0.622 -2.662 1.00 4.31 C ATOM 336 CD2 LEU A 21 -1.826 2.645 -4.008 1.00 23.11 C ATOM 0 H LEU A 21 2.899 2.998 -2.919 1.00 34.23 H new ATOM 0 HA LEU A 21 1.594 0.561 -2.537 1.00 44.40 H new ATOM 0 HB2 LEU A 21 0.521 2.793 -2.546 1.00 23.32 H new ATOM 0 HB3 LEU A 21 0.832 2.950 -4.264 1.00 23.32 H new ATOM 0 HG LEU A 21 -0.655 1.000 -4.700 1.00 74.43 H new ATOM 0 HD11 LEU A 21 -2.127 0.174 -2.900 1.00 4.31 H new ATOM 0 HD12 LEU A 21 -0.412 -0.162 -2.562 1.00 4.31 H new ATOM 0 HD13 LEU A 21 -1.239 1.172 -1.724 1.00 4.31 H new ATOM 0 HD21 LEU A 21 -2.780 2.162 -4.222 1.00 23.11 H new ATOM 0 HD22 LEU A 21 -1.923 3.259 -3.112 1.00 23.11 H new ATOM 0 HD23 LEU A 21 -1.541 3.275 -4.850 1.00 23.11 H new ATOM 348 N THR A 22 2.609 1.072 -5.638 1.00 33.52 N ATOM 349 CA THR A 22 2.884 0.414 -6.924 1.00 11.32 C ATOM 350 C THR A 22 3.647 -0.903 -6.721 1.00 3.24 C ATOM 351 O THR A 22 3.221 -1.959 -7.190 1.00 13.53 O ATOM 352 CB THR A 22 3.703 1.330 -7.872 1.00 3.23 C ATOM 353 OG1 THR A 22 2.999 2.563 -8.115 1.00 54.21 O ATOM 354 CG2 THR A 22 3.983 0.635 -9.207 1.00 72.13 C ATOM 0 H THR A 22 2.961 2.027 -5.574 1.00 33.52 H new ATOM 0 HA THR A 22 1.917 0.206 -7.381 1.00 11.32 H new ATOM 0 HB THR A 22 4.653 1.544 -7.382 1.00 3.23 H new ATOM 0 HG1 THR A 22 2.959 3.086 -7.287 1.00 54.21 H new ATOM 0 HG21 THR A 22 4.558 1.301 -9.850 1.00 72.13 H new ATOM 0 HG22 THR A 22 4.551 -0.278 -9.030 1.00 72.13 H new ATOM 0 HG23 THR A 22 3.039 0.387 -9.693 1.00 72.13 H new ATOM 362 N GLU A 23 4.768 -0.839 -6.001 1.00 14.33 N ATOM 363 CA GLU A 23 5.590 -2.026 -5.740 1.00 54.25 C ATOM 364 C GLU A 23 4.825 -3.087 -4.937 1.00 22.14 C ATOM 365 O GLU A 23 5.072 -4.285 -5.083 1.00 12.32 O ATOM 366 CB GLU A 23 6.884 -1.641 -5.008 1.00 4.10 C ATOM 367 CG GLU A 23 7.824 -0.770 -5.836 1.00 72.14 C ATOM 368 CD GLU A 23 8.155 -1.392 -7.187 1.00 40.11 C ATOM 369 OE1 GLU A 23 8.900 -2.391 -7.222 1.00 31.32 O ATOM 370 OE2 GLU A 23 7.663 -0.886 -8.219 1.00 50.22 O ATOM 0 H GLU A 23 5.129 0.021 -5.588 1.00 14.33 H new ATOM 0 HA GLU A 23 5.844 -2.460 -6.707 1.00 54.25 H new ATOM 0 HB2 GLU A 23 6.628 -1.112 -4.090 1.00 4.10 H new ATOM 0 HB3 GLU A 23 7.409 -2.550 -4.716 1.00 4.10 H new ATOM 0 HG2 GLU A 23 7.367 0.207 -5.991 1.00 72.14 H new ATOM 0 HG3 GLU A 23 8.747 -0.605 -5.279 1.00 72.14 H new ATOM 377 N LEU A 24 3.898 -2.653 -4.087 1.00 70.40 N ATOM 378 CA LEU A 24 3.049 -3.591 -3.345 1.00 22.24 C ATOM 379 C LEU A 24 2.096 -4.339 -4.289 1.00 13.23 C ATOM 380 O LEU A 24 1.855 -5.535 -4.127 1.00 71.10 O ATOM 381 CB LEU A 24 2.257 -2.862 -2.256 1.00 33.34 C ATOM 382 CG LEU A 24 3.105 -2.200 -1.161 1.00 53.44 C ATOM 383 CD1 LEU A 24 2.212 -1.604 -0.078 1.00 54.20 C ATOM 384 CD2 LEU A 24 4.097 -3.198 -0.563 1.00 31.11 C ATOM 0 H LEU A 24 3.714 -1.669 -3.894 1.00 70.40 H new ATOM 0 HA LEU A 24 3.700 -4.323 -2.868 1.00 22.24 H new ATOM 0 HB2 LEU A 24 1.641 -2.097 -2.728 1.00 33.34 H new ATOM 0 HB3 LEU A 24 1.577 -3.573 -1.786 1.00 33.34 H new ATOM 0 HG LEU A 24 3.677 -1.390 -1.614 1.00 53.44 H new ATOM 0 HD11 LEU A 24 2.831 -1.139 0.689 1.00 54.20 H new ATOM 0 HD12 LEU A 24 1.557 -0.853 -0.519 1.00 54.20 H new ATOM 0 HD13 LEU A 24 1.609 -2.393 0.371 1.00 54.20 H new ATOM 0 HD21 LEU A 24 4.687 -2.706 0.211 1.00 31.11 H new ATOM 0 HD22 LEU A 24 3.552 -4.035 -0.127 1.00 31.11 H new ATOM 0 HD23 LEU A 24 4.760 -3.565 -1.346 1.00 31.11 H new ATOM 396 N VAL A 25 1.558 -3.633 -5.280 1.00 71.21 N ATOM 397 CA VAL A 25 0.723 -4.260 -6.312 1.00 11.35 C ATOM 398 C VAL A 25 1.543 -5.261 -7.145 1.00 42.44 C ATOM 399 O VAL A 25 1.082 -6.361 -7.447 1.00 23.45 O ATOM 400 CB VAL A 25 0.090 -3.201 -7.256 1.00 61.42 C ATOM 401 CG1 VAL A 25 -0.768 -3.868 -8.333 1.00 40.35 C ATOM 402 CG2 VAL A 25 -0.731 -2.187 -6.458 1.00 20.52 C ATOM 0 H VAL A 25 1.683 -2.627 -5.394 1.00 71.21 H new ATOM 0 HA VAL A 25 -0.079 -4.789 -5.797 1.00 11.35 H new ATOM 0 HB VAL A 25 0.899 -2.668 -7.755 1.00 61.42 H new ATOM 0 HG11 VAL A 25 -1.199 -3.104 -8.980 1.00 40.35 H new ATOM 0 HG12 VAL A 25 -0.149 -4.539 -8.928 1.00 40.35 H new ATOM 0 HG13 VAL A 25 -1.569 -4.437 -7.860 1.00 40.35 H new ATOM 0 HG21 VAL A 25 -1.165 -1.454 -7.138 1.00 20.52 H new ATOM 0 HG22 VAL A 25 -1.528 -2.704 -5.924 1.00 20.52 H new ATOM 0 HG23 VAL A 25 -0.085 -1.679 -5.742 1.00 20.52 H new ATOM 412 N GLU A 26 2.767 -4.869 -7.490 1.00 42.35 N ATOM 413 CA GLU A 26 3.674 -5.710 -8.284 1.00 43.44 C ATOM 414 C GLU A 26 4.143 -6.961 -7.512 1.00 65.35 C ATOM 415 O GLU A 26 4.095 -8.078 -8.027 1.00 64.35 O ATOM 416 CB GLU A 26 4.900 -4.882 -8.702 1.00 4.20 C ATOM 417 CG GLU A 26 4.567 -3.650 -9.536 1.00 54.41 C ATOM 418 CD GLU A 26 4.003 -3.997 -10.904 1.00 20.44 C ATOM 419 OE1 GLU A 26 4.804 -4.297 -11.818 1.00 25.23 O ATOM 420 OE2 GLU A 26 2.768 -3.967 -11.077 1.00 15.15 O ATOM 0 H GLU A 26 3.161 -3.965 -7.231 1.00 42.35 H new ATOM 0 HA GLU A 26 3.122 -6.052 -9.160 1.00 43.44 H new ATOM 0 HB2 GLU A 26 5.434 -4.567 -7.806 1.00 4.20 H new ATOM 0 HB3 GLU A 26 5.578 -5.519 -9.270 1.00 4.20 H new ATOM 0 HG2 GLU A 26 3.846 -3.036 -8.996 1.00 54.41 H new ATOM 0 HG3 GLU A 26 5.467 -3.048 -9.662 1.00 54.41 H new ATOM 427 N HIS A 27 4.604 -6.764 -6.278 1.00 33.15 N ATOM 428 CA HIS A 27 5.203 -7.853 -5.486 1.00 61.02 C ATOM 429 C HIS A 27 4.165 -8.645 -4.668 1.00 31.31 C ATOM 430 O HIS A 27 4.446 -9.751 -4.205 1.00 31.25 O ATOM 431 CB HIS A 27 6.286 -7.295 -4.554 1.00 11.12 C ATOM 432 CG HIS A 27 7.484 -6.736 -5.270 1.00 34.24 C ATOM 433 ND1 HIS A 27 7.720 -5.503 -5.790 1.00 65.53 N flip ATOM 434 CD2 HIS A 27 8.628 -7.466 -5.506 1.00 1.22 C flip ATOM 435 CE1 HIS A 27 8.986 -5.523 -6.314 1.00 71.42 C flip ATOM 436 NE2 HIS A 27 9.512 -6.714 -6.130 1.00 20.04 N flip ATOM 0 H HIS A 27 4.577 -5.864 -5.800 1.00 33.15 H new ATOM 0 HA HIS A 27 5.646 -8.550 -6.198 1.00 61.02 H new ATOM 0 HB2 HIS A 27 5.849 -6.512 -3.934 1.00 11.12 H new ATOM 0 HB3 HIS A 27 6.615 -8.087 -3.882 1.00 11.12 H new ATOM 0 HD1 HIS A 27 7.076 -4.712 -5.790 1.00 65.53 H new ATOM 0 HD2 HIS A 27 8.778 -8.497 -5.223 1.00 1.22 H new ATOM 0 HE1 HIS A 27 9.474 -4.692 -6.801 1.00 71.42 H new ATOM 445 N TYR A 28 2.977 -8.080 -4.479 1.00 51.45 N ATOM 446 CA TYR A 28 1.904 -8.763 -3.737 1.00 52.42 C ATOM 447 C TYR A 28 0.619 -8.850 -4.573 1.00 72.02 C ATOM 448 O TYR A 28 0.221 -9.926 -5.024 1.00 3.52 O ATOM 449 CB TYR A 28 1.595 -8.030 -2.419 1.00 61.21 C ATOM 450 CG TYR A 28 2.720 -8.045 -1.396 1.00 44.13 C ATOM 451 CD1 TYR A 28 3.690 -7.045 -1.376 1.00 55.12 C ATOM 452 CD2 TYR A 28 2.795 -9.048 -0.435 1.00 30.02 C ATOM 453 CE1 TYR A 28 4.698 -7.048 -0.431 1.00 12.11 C ATOM 454 CE2 TYR A 28 3.805 -9.058 0.511 1.00 55.12 C ATOM 455 CZ TYR A 28 4.751 -8.055 0.511 1.00 71.40 C ATOM 456 OH TYR A 28 5.751 -8.054 1.459 1.00 53.33 O ATOM 0 H TYR A 28 2.726 -7.154 -4.825 1.00 51.45 H new ATOM 0 HA TYR A 28 2.256 -9.771 -3.518 1.00 52.42 H new ATOM 0 HB2 TYR A 28 1.345 -6.994 -2.647 1.00 61.21 H new ATOM 0 HB3 TYR A 28 0.710 -8.480 -1.970 1.00 61.21 H new ATOM 0 HD1 TYR A 28 3.653 -6.255 -2.111 1.00 55.12 H new ATOM 0 HD2 TYR A 28 2.052 -9.832 -0.427 1.00 30.02 H new ATOM 0 HE1 TYR A 28 5.442 -6.265 -0.430 1.00 12.11 H new ATOM 0 HE2 TYR A 28 3.852 -9.848 1.246 1.00 55.12 H new ATOM 0 HH TYR A 28 5.645 -8.830 2.048 1.00 53.33 H new ATOM 466 N GLY A 29 -0.019 -7.700 -4.779 1.00 30.44 N ATOM 467 CA GLY A 29 -1.311 -7.657 -5.457 1.00 50.12 C ATOM 468 C GLY A 29 -2.428 -7.159 -4.545 1.00 4.04 C ATOM 469 O GLY A 29 -2.352 -7.309 -3.322 1.00 11.32 O ATOM 0 H GLY A 29 0.336 -6.789 -4.487 1.00 30.44 H new ATOM 0 HA2 GLY A 29 -1.240 -7.007 -6.329 1.00 50.12 H new ATOM 0 HA3 GLY A 29 -1.560 -8.653 -5.822 1.00 50.12 H new ATOM 473 N TRP A 30 -3.475 -6.582 -5.132 1.00 62.11 N ATOM 474 CA TRP A 30 -4.584 -6.005 -4.355 1.00 42.21 C ATOM 475 C TRP A 30 -5.282 -7.051 -3.468 1.00 21.32 C ATOM 476 O TRP A 30 -5.829 -6.717 -2.416 1.00 22.21 O ATOM 477 CB TRP A 30 -5.601 -5.344 -5.290 1.00 30.01 C ATOM 478 CG TRP A 30 -5.044 -4.166 -6.035 1.00 22.10 C ATOM 479 CD1 TRP A 30 -4.440 -4.177 -7.258 1.00 13.30 C ATOM 480 CD2 TRP A 30 -5.038 -2.800 -5.597 1.00 61.12 C ATOM 481 NE1 TRP A 30 -4.064 -2.905 -7.610 1.00 20.03 N ATOM 482 CE2 TRP A 30 -4.418 -2.043 -6.607 1.00 64.43 C ATOM 483 CE3 TRP A 30 -5.497 -2.145 -4.451 1.00 31.24 C ATOM 484 CZ2 TRP A 30 -4.246 -0.666 -6.506 1.00 34.12 C ATOM 485 CZ3 TRP A 30 -5.325 -0.777 -4.352 1.00 13.10 C ATOM 486 CH2 TRP A 30 -4.703 -0.051 -5.374 1.00 53.21 C ATOM 0 H TRP A 30 -3.584 -6.499 -6.143 1.00 62.11 H new ATOM 0 HA TRP A 30 -4.155 -5.252 -3.694 1.00 42.21 H new ATOM 0 HB2 TRP A 30 -5.959 -6.083 -6.007 1.00 30.01 H new ATOM 0 HB3 TRP A 30 -6.464 -5.022 -4.707 1.00 30.01 H new ATOM 0 HD1 TRP A 30 -4.281 -5.058 -7.861 1.00 13.30 H new ATOM 0 HE1 TRP A 30 -3.597 -2.644 -8.478 1.00 20.03 H new ATOM 0 HE3 TRP A 30 -5.977 -2.698 -3.657 1.00 31.24 H new ATOM 0 HZ2 TRP A 30 -3.768 -0.103 -7.294 1.00 34.12 H new ATOM 0 HZ3 TRP A 30 -5.676 -0.260 -3.471 1.00 13.10 H new ATOM 0 HH2 TRP A 30 -4.582 1.017 -5.266 1.00 53.21 H new ATOM 497 N GLU A 31 -5.247 -8.312 -3.893 1.00 31.25 N ATOM 498 CA GLU A 31 -5.836 -9.414 -3.116 1.00 42.12 C ATOM 499 C GLU A 31 -5.107 -9.603 -1.773 1.00 32.13 C ATOM 500 O GLU A 31 -5.709 -10.012 -0.777 1.00 42.21 O ATOM 501 CB GLU A 31 -5.809 -10.725 -3.927 1.00 32.22 C ATOM 502 CG GLU A 31 -6.657 -10.706 -5.205 1.00 40.54 C ATOM 503 CD GLU A 31 -6.180 -9.684 -6.229 1.00 73.04 C ATOM 504 OE1 GLU A 31 -5.070 -9.858 -6.771 1.00 0.34 O ATOM 505 OE2 GLU A 31 -6.897 -8.692 -6.475 1.00 74.10 O ATOM 0 H GLU A 31 -4.818 -8.602 -4.772 1.00 31.25 H new ATOM 0 HA GLU A 31 -6.873 -9.153 -2.904 1.00 42.12 H new ATOM 0 HB2 GLU A 31 -4.777 -10.949 -4.196 1.00 32.22 H new ATOM 0 HB3 GLU A 31 -6.156 -11.538 -3.289 1.00 32.22 H new ATOM 0 HG2 GLU A 31 -6.642 -11.698 -5.657 1.00 40.54 H new ATOM 0 HG3 GLU A 31 -7.693 -10.491 -4.942 1.00 40.54 H new ATOM 512 N GLU A 32 -3.810 -9.297 -1.758 1.00 71.21 N ATOM 513 CA GLU A 32 -3.008 -9.346 -0.529 1.00 44.31 C ATOM 514 C GLU A 32 -3.179 -8.056 0.288 1.00 30.42 C ATOM 515 O GLU A 32 -3.270 -8.088 1.518 1.00 32.01 O ATOM 516 CB GLU A 32 -1.525 -9.552 -0.872 1.00 2.24 C ATOM 517 CG GLU A 32 -1.225 -10.868 -1.587 1.00 65.41 C ATOM 518 CD GLU A 32 -1.459 -12.087 -0.703 1.00 63.34 C ATOM 519 OE1 GLU A 32 -0.531 -12.477 0.039 1.00 10.15 O ATOM 520 OE2 GLU A 32 -2.568 -12.662 -0.750 1.00 63.32 O ATOM 0 H GLU A 32 -3.287 -9.011 -2.586 1.00 71.21 H new ATOM 0 HA GLU A 32 -3.358 -10.186 0.072 1.00 44.31 H new ATOM 0 HB2 GLU A 32 -1.191 -8.726 -1.500 1.00 2.24 H new ATOM 0 HB3 GLU A 32 -0.942 -9.510 0.048 1.00 2.24 H new ATOM 0 HG2 GLU A 32 -1.851 -10.944 -2.476 1.00 65.41 H new ATOM 0 HG3 GLU A 32 -0.189 -10.864 -1.926 1.00 65.41 H new ATOM 527 N LEU A 33 -3.224 -6.920 -0.406 1.00 74.32 N ATOM 528 CA LEU A 33 -3.392 -5.616 0.247 1.00 31.14 C ATOM 529 C LEU A 33 -4.724 -5.533 1.009 1.00 2.33 C ATOM 530 O LEU A 33 -4.759 -5.162 2.181 1.00 32.00 O ATOM 531 CB LEU A 33 -3.309 -4.488 -0.790 1.00 65.11 C ATOM 532 CG LEU A 33 -2.005 -4.444 -1.600 1.00 31.10 C ATOM 533 CD1 LEU A 33 -2.004 -3.260 -2.564 1.00 23.11 C ATOM 534 CD2 LEU A 33 -0.792 -4.400 -0.674 1.00 45.41 C ATOM 0 H LEU A 33 -3.147 -6.873 -1.422 1.00 74.32 H new ATOM 0 HA LEU A 33 -2.584 -5.501 0.970 1.00 31.14 H new ATOM 0 HB2 LEU A 33 -4.145 -4.589 -1.482 1.00 65.11 H new ATOM 0 HB3 LEU A 33 -3.433 -3.534 -0.277 1.00 65.11 H new ATOM 0 HG LEU A 33 -1.942 -5.357 -2.192 1.00 31.10 H new ATOM 0 HD11 LEU A 33 -1.070 -3.250 -3.127 1.00 23.11 H new ATOM 0 HD12 LEU A 33 -2.843 -3.352 -3.254 1.00 23.11 H new ATOM 0 HD13 LEU A 33 -2.098 -2.332 -2.000 1.00 23.11 H new ATOM 0 HD21 LEU A 33 0.120 -4.369 -1.270 1.00 45.41 H new ATOM 0 HD22 LEU A 33 -0.845 -3.510 -0.046 1.00 45.41 H new ATOM 0 HD23 LEU A 33 -0.783 -5.289 -0.043 1.00 45.41 H new ATOM 546 N SER A 34 -5.815 -5.900 0.340 1.00 33.12 N ATOM 547 CA SER A 34 -7.149 -5.897 0.962 1.00 13.42 C ATOM 548 C SER A 34 -7.245 -6.933 2.096 1.00 1.14 C ATOM 549 O SER A 34 -8.158 -6.887 2.921 1.00 72.10 O ATOM 550 CB SER A 34 -8.236 -6.171 -0.089 1.00 53.42 C ATOM 551 OG SER A 34 -8.015 -7.403 -0.760 1.00 24.52 O ATOM 0 H SER A 34 -5.808 -6.204 -0.634 1.00 33.12 H new ATOM 0 HA SER A 34 -7.307 -4.907 1.391 1.00 13.42 H new ATOM 0 HB2 SER A 34 -9.213 -6.189 0.393 1.00 53.42 H new ATOM 0 HB3 SER A 34 -8.254 -5.358 -0.815 1.00 53.42 H new ATOM 0 HG SER A 34 -7.265 -7.306 -1.384 1.00 24.52 H new ATOM 557 N TYR A 35 -6.297 -7.869 2.124 1.00 55.40 N ATOM 558 CA TYR A 35 -6.218 -8.875 3.190 1.00 40.41 C ATOM 559 C TYR A 35 -5.517 -8.313 4.439 1.00 23.44 C ATOM 560 O TYR A 35 -5.976 -8.521 5.562 1.00 33.55 O ATOM 561 CB TYR A 35 -5.475 -10.121 2.678 1.00 51.22 C ATOM 562 CG TYR A 35 -5.210 -11.174 3.743 1.00 33.20 C ATOM 563 CD1 TYR A 35 -6.239 -11.960 4.248 1.00 21.42 C ATOM 564 CD2 TYR A 35 -3.926 -11.378 4.244 1.00 1.02 C ATOM 565 CE1 TYR A 35 -5.998 -12.917 5.216 1.00 41.51 C ATOM 566 CE2 TYR A 35 -3.676 -12.334 5.211 1.00 52.42 C ATOM 567 CZ TYR A 35 -4.717 -13.100 5.694 1.00 64.43 C ATOM 568 OH TYR A 35 -4.476 -14.050 6.666 1.00 14.14 O ATOM 0 H TYR A 35 -5.567 -7.954 1.417 1.00 55.40 H new ATOM 0 HA TYR A 35 -7.234 -9.151 3.474 1.00 40.41 H new ATOM 0 HB2 TYR A 35 -6.057 -10.572 1.875 1.00 51.22 H new ATOM 0 HB3 TYR A 35 -4.524 -9.810 2.246 1.00 51.22 H new ATOM 0 HD1 TYR A 35 -7.244 -11.821 3.878 1.00 21.42 H new ATOM 0 HD2 TYR A 35 -3.110 -10.778 3.870 1.00 1.02 H new ATOM 0 HE1 TYR A 35 -6.810 -13.519 5.597 1.00 41.51 H new ATOM 0 HE2 TYR A 35 -2.674 -12.480 5.585 1.00 52.42 H new ATOM 0 HH TYR A 35 -3.522 -14.053 6.892 1.00 14.14 H new ATOM 578 N MET A 36 -4.402 -7.612 4.239 1.00 32.44 N ATOM 579 CA MET A 36 -3.639 -7.026 5.355 1.00 62.44 C ATOM 580 C MET A 36 -4.188 -5.650 5.785 1.00 62.11 C ATOM 581 O MET A 36 -3.845 -5.142 6.854 1.00 0.02 O ATOM 582 CB MET A 36 -2.150 -6.922 4.979 1.00 53.21 C ATOM 583 CG MET A 36 -1.425 -8.266 4.985 1.00 40.23 C ATOM 584 SD MET A 36 0.279 -8.149 4.399 1.00 12.21 S ATOM 585 CE MET A 36 0.019 -7.878 2.646 1.00 3.30 C ATOM 0 H MET A 36 -4.002 -7.433 3.318 1.00 32.44 H new ATOM 0 HA MET A 36 -3.750 -7.691 6.211 1.00 62.44 H new ATOM 0 HB2 MET A 36 -2.064 -6.476 3.988 1.00 53.21 H new ATOM 0 HB3 MET A 36 -1.654 -6.247 5.676 1.00 53.21 H new ATOM 0 HG2 MET A 36 -1.429 -8.670 5.997 1.00 40.23 H new ATOM 0 HG3 MET A 36 -1.972 -8.971 4.358 1.00 40.23 H new ATOM 0 HE1 MET A 36 0.983 -7.785 2.145 1.00 3.30 H new ATOM 0 HE2 MET A 36 -0.529 -8.721 2.225 1.00 3.30 H new ATOM 0 HE3 MET A 36 -0.555 -6.963 2.501 1.00 3.30 H new ATOM 595 N VAL A 37 -5.030 -5.043 4.947 1.00 24.10 N ATOM 596 CA VAL A 37 -5.686 -3.770 5.287 1.00 4.02 C ATOM 597 C VAL A 37 -7.187 -3.818 4.943 1.00 23.24 C ATOM 598 O VAL A 37 -7.584 -3.654 3.785 1.00 43.42 O ATOM 599 CB VAL A 37 -5.025 -2.567 4.556 1.00 44.21 C ATOM 600 CG1 VAL A 37 -5.656 -1.247 5.002 1.00 61.04 C ATOM 601 CG2 VAL A 37 -3.512 -2.546 4.780 1.00 44.52 C ATOM 0 H VAL A 37 -5.277 -5.409 4.027 1.00 24.10 H new ATOM 0 HA VAL A 37 -5.566 -3.628 6.361 1.00 4.02 H new ATOM 0 HB VAL A 37 -5.203 -2.688 3.488 1.00 44.21 H new ATOM 0 HG11 VAL A 37 -5.178 -0.420 4.478 1.00 61.04 H new ATOM 0 HG12 VAL A 37 -6.721 -1.256 4.770 1.00 61.04 H new ATOM 0 HG13 VAL A 37 -5.519 -1.123 6.076 1.00 61.04 H new ATOM 0 HG21 VAL A 37 -3.079 -1.694 4.257 1.00 44.52 H new ATOM 0 HG22 VAL A 37 -3.303 -2.461 5.846 1.00 44.52 H new ATOM 0 HG23 VAL A 37 -3.075 -3.468 4.397 1.00 44.52 H new ATOM 611 N ASN A 38 -8.023 -4.045 5.957 1.00 43.13 N ATOM 612 CA ASN A 38 -9.467 -4.194 5.752 1.00 73.54 C ATOM 613 C ASN A 38 -10.189 -2.837 5.738 1.00 12.13 C ATOM 614 O ASN A 38 -10.673 -2.359 6.767 1.00 43.03 O ATOM 615 CB ASN A 38 -10.071 -5.106 6.827 1.00 41.13 C ATOM 616 CG ASN A 38 -9.548 -6.527 6.734 1.00 34.13 C ATOM 617 OD1 ASN A 38 -10.105 -7.362 6.030 1.00 41.12 O ATOM 618 ND2 ASN A 38 -8.476 -6.818 7.441 1.00 42.41 N ATOM 0 H ASN A 38 -7.726 -4.130 6.929 1.00 43.13 H new ATOM 0 HA ASN A 38 -9.610 -4.653 4.774 1.00 73.54 H new ATOM 0 HB2 ASN A 38 -9.844 -4.701 7.813 1.00 41.13 H new ATOM 0 HB3 ASN A 38 -11.156 -5.113 6.727 1.00 41.13 H new ATOM 0 HD21 ASN A 38 -8.086 -7.760 7.412 1.00 42.41 H new ATOM 0 HD22 ASN A 38 -8.035 -6.101 8.017 1.00 42.41 H new ATOM 625 N ILE A 39 -10.229 -2.211 4.566 1.00 12.43 N ATOM 626 CA ILE A 39 -10.959 -0.954 4.362 1.00 4.20 C ATOM 627 C ILE A 39 -11.719 -0.985 3.025 1.00 23.31 C ATOM 628 O ILE A 39 -11.243 -1.570 2.047 1.00 73.44 O ATOM 629 CB ILE A 39 -10.005 0.275 4.375 1.00 3.52 C ATOM 630 CG1 ILE A 39 -8.893 0.105 3.320 1.00 23.55 C ATOM 631 CG2 ILE A 39 -9.408 0.488 5.769 1.00 32.03 C ATOM 632 CD1 ILE A 39 -7.932 1.275 3.239 1.00 40.33 C ATOM 0 H ILE A 39 -9.759 -2.556 3.729 1.00 12.43 H new ATOM 0 HA ILE A 39 -11.664 -0.855 5.187 1.00 4.20 H new ATOM 0 HB ILE A 39 -10.585 1.162 4.121 1.00 3.52 H new ATOM 0 HG12 ILE A 39 -8.329 -0.800 3.545 1.00 23.55 H new ATOM 0 HG13 ILE A 39 -9.353 -0.041 2.343 1.00 23.55 H new ATOM 0 HG21 ILE A 39 -8.745 1.353 5.752 1.00 32.03 H new ATOM 0 HG22 ILE A 39 -10.211 0.660 6.486 1.00 32.03 H new ATOM 0 HG23 ILE A 39 -8.843 -0.397 6.062 1.00 32.03 H new ATOM 0 HD11 ILE A 39 -7.181 1.077 2.474 1.00 40.33 H new ATOM 0 HD12 ILE A 39 -8.482 2.180 2.982 1.00 40.33 H new ATOM 0 HD13 ILE A 39 -7.441 1.410 4.203 1.00 40.33 H new ATOM 644 N ASN A 40 -12.894 -0.357 2.969 1.00 55.14 N ATOM 645 CA ASN A 40 -13.681 -0.327 1.730 1.00 41.21 C ATOM 646 C ASN A 40 -13.064 0.647 0.710 1.00 53.20 C ATOM 647 O ASN A 40 -13.592 1.728 0.449 1.00 44.44 O ATOM 648 CB ASN A 40 -15.141 0.044 2.027 1.00 72.45 C ATOM 649 CG ASN A 40 -16.060 -0.213 0.845 1.00 10.24 C ATOM 650 OD1 ASN A 40 -16.274 0.654 0.005 1.00 4.33 O ATOM 651 ND2 ASN A 40 -16.605 -1.410 0.766 1.00 44.10 N ATOM 0 H ASN A 40 -13.320 0.133 3.755 1.00 55.14 H new ATOM 0 HA ASN A 40 -13.665 -1.325 1.292 1.00 41.21 H new ATOM 0 HB2 ASN A 40 -15.490 -0.529 2.886 1.00 72.45 H new ATOM 0 HB3 ASN A 40 -15.196 1.097 2.303 1.00 72.45 H new ATOM 0 HD21 ASN A 40 -17.226 -1.638 -0.011 1.00 44.10 H new ATOM 0 HD22 ASN A 40 -16.406 -2.109 1.482 1.00 44.10 H new ATOM 658 N CYS A 41 -11.918 0.255 0.166 1.00 13.22 N ATOM 659 CA CYS A 41 -11.211 1.048 -0.849 1.00 51.55 C ATOM 660 C CYS A 41 -10.471 0.127 -1.825 1.00 75.12 C ATOM 661 O CYS A 41 -10.756 0.115 -3.019 1.00 63.51 O ATOM 662 CB CYS A 41 -10.215 2.009 -0.186 1.00 33.21 C ATOM 663 SG CYS A 41 -9.307 3.054 -1.353 1.00 71.13 S ATOM 0 H CYS A 41 -11.449 -0.617 0.411 1.00 13.22 H new ATOM 0 HA CYS A 41 -11.949 1.631 -1.400 1.00 51.55 H new ATOM 0 HB2 CYS A 41 -10.754 2.648 0.514 1.00 33.21 H new ATOM 0 HB3 CYS A 41 -9.500 1.429 0.398 1.00 33.21 H new ATOM 0 HG CYS A 41 -8.353 2.363 -1.903 1.00 71.13 H new ATOM 669 N PHE A 42 -9.535 -0.666 -1.300 1.00 22.35 N ATOM 670 CA PHE A 42 -8.798 -1.644 -2.115 1.00 51.33 C ATOM 671 C PHE A 42 -9.752 -2.695 -2.710 1.00 54.31 C ATOM 672 O PHE A 42 -9.494 -3.260 -3.772 1.00 63.11 O ATOM 673 CB PHE A 42 -7.725 -2.345 -1.266 1.00 3.00 C ATOM 674 CG PHE A 42 -6.769 -1.406 -0.565 1.00 30.31 C ATOM 675 CD1 PHE A 42 -6.388 -0.209 -1.151 1.00 65.51 C ATOM 676 CD2 PHE A 42 -6.249 -1.731 0.680 1.00 54.34 C ATOM 677 CE1 PHE A 42 -5.511 0.644 -0.511 1.00 13.12 C ATOM 678 CE2 PHE A 42 -5.371 -0.881 1.323 1.00 62.11 C ATOM 679 CZ PHE A 42 -5.002 0.309 0.728 1.00 54.53 C ATOM 0 H PHE A 42 -9.267 -0.653 -0.316 1.00 22.35 H new ATOM 0 HA PHE A 42 -8.318 -1.106 -2.932 1.00 51.33 H new ATOM 0 HB2 PHE A 42 -8.219 -2.965 -0.518 1.00 3.00 H new ATOM 0 HB3 PHE A 42 -7.152 -3.015 -1.907 1.00 3.00 H new ATOM 0 HD1 PHE A 42 -6.782 0.060 -2.120 1.00 65.51 H new ATOM 0 HD2 PHE A 42 -6.534 -2.660 1.152 1.00 54.34 H new ATOM 0 HE1 PHE A 42 -5.223 1.573 -0.980 1.00 13.12 H new ATOM 0 HE2 PHE A 42 -4.973 -1.147 2.291 1.00 62.11 H new ATOM 0 HZ PHE A 42 -4.317 0.976 1.230 1.00 54.53 H new ATOM 689 N LYS A 43 -10.851 -2.955 -2.001 1.00 52.03 N ATOM 690 CA LYS A 43 -11.874 -3.909 -2.453 1.00 72.54 C ATOM 691 C LYS A 43 -12.773 -3.273 -3.535 1.00 1.32 C ATOM 692 O LYS A 43 -13.190 -3.937 -4.487 1.00 53.22 O ATOM 693 CB LYS A 43 -12.719 -4.358 -1.237 1.00 30.14 C ATOM 694 CG LYS A 43 -13.401 -5.727 -1.372 1.00 3.52 C ATOM 695 CD LYS A 43 -14.467 -5.756 -2.466 1.00 4.11 C ATOM 696 CE LYS A 43 -15.274 -7.049 -2.444 1.00 43.10 C ATOM 697 NZ LYS A 43 -16.099 -7.171 -1.211 1.00 22.33 N ATOM 0 H LYS A 43 -11.060 -2.516 -1.104 1.00 52.03 H new ATOM 0 HA LYS A 43 -11.387 -4.778 -2.895 1.00 72.54 H new ATOM 0 HB2 LYS A 43 -12.075 -4.378 -0.358 1.00 30.14 H new ATOM 0 HB3 LYS A 43 -13.487 -3.606 -1.053 1.00 30.14 H new ATOM 0 HG2 LYS A 43 -12.646 -6.483 -1.587 1.00 3.52 H new ATOM 0 HG3 LYS A 43 -13.858 -5.995 -0.419 1.00 3.52 H new ATOM 0 HD2 LYS A 43 -15.139 -4.907 -2.340 1.00 4.11 H new ATOM 0 HD3 LYS A 43 -13.990 -5.643 -3.440 1.00 4.11 H new ATOM 0 HE2 LYS A 43 -15.923 -7.086 -3.319 1.00 43.10 H new ATOM 0 HE3 LYS A 43 -14.597 -7.900 -2.513 1.00 43.10 H new ATOM 0 HZ1 LYS A 43 -16.823 -7.905 -1.349 1.00 22.33 H new ATOM 0 HZ2 LYS A 43 -15.489 -7.432 -0.410 1.00 22.33 H new ATOM 0 HZ3 LYS A 43 -16.562 -6.261 -1.012 1.00 22.33 H new ATOM 711 N LYS A 44 -13.055 -1.977 -3.394 1.00 52.15 N ATOM 712 CA LYS A 44 -13.947 -1.270 -4.325 1.00 44.41 C ATOM 713 C LYS A 44 -13.185 -0.773 -5.567 1.00 73.10 C ATOM 714 O LYS A 44 -12.811 0.401 -5.645 1.00 4.12 O ATOM 715 CB LYS A 44 -14.624 -0.081 -3.624 1.00 44.21 C ATOM 716 CG LYS A 44 -15.707 0.591 -4.470 1.00 32.43 C ATOM 717 CD LYS A 44 -16.088 1.968 -3.933 1.00 4.45 C ATOM 718 CE LYS A 44 -14.936 2.961 -4.055 1.00 15.34 C ATOM 719 NZ LYS A 44 -14.464 3.103 -5.463 1.00 70.04 N ATOM 0 H LYS A 44 -12.681 -1.393 -2.646 1.00 52.15 H new ATOM 0 HA LYS A 44 -14.709 -1.979 -4.650 1.00 44.41 H new ATOM 0 HB2 LYS A 44 -15.066 -0.425 -2.689 1.00 44.21 H new ATOM 0 HB3 LYS A 44 -13.866 0.658 -3.366 1.00 44.21 H new ATOM 0 HG2 LYS A 44 -15.355 0.688 -5.497 1.00 32.43 H new ATOM 0 HG3 LYS A 44 -16.592 -0.045 -4.495 1.00 32.43 H new ATOM 0 HD2 LYS A 44 -16.953 2.345 -4.479 1.00 4.45 H new ATOM 0 HD3 LYS A 44 -16.384 1.881 -2.888 1.00 4.45 H new ATOM 0 HE2 LYS A 44 -15.255 3.934 -3.680 1.00 15.34 H new ATOM 0 HE3 LYS A 44 -14.108 2.634 -3.427 1.00 15.34 H new ATOM 0 HZ1 LYS A 44 -13.898 3.971 -5.554 1.00 70.04 H new ATOM 0 HZ2 LYS A 44 -13.880 2.281 -5.718 1.00 70.04 H new ATOM 0 HZ3 LYS A 44 -15.284 3.156 -6.100 1.00 70.04 H new ATOM 733 N ASP A 45 -12.959 -1.675 -6.525 1.00 5.34 N ATOM 734 CA ASP A 45 -12.239 -1.352 -7.765 1.00 0.31 C ATOM 735 C ASP A 45 -10.800 -0.860 -7.486 1.00 52.55 C ATOM 736 O ASP A 45 -10.582 0.299 -7.121 1.00 32.12 O ATOM 737 CB ASP A 45 -13.018 -0.315 -8.585 1.00 34.24 C ATOM 738 CG ASP A 45 -12.283 0.099 -9.850 1.00 50.53 C ATOM 739 OD1 ASP A 45 -12.168 -0.728 -10.777 1.00 42.34 O ATOM 740 OD2 ASP A 45 -11.835 1.261 -9.932 1.00 72.25 O ATOM 0 H ASP A 45 -13.267 -2.646 -6.467 1.00 5.34 H new ATOM 0 HA ASP A 45 -12.160 -2.271 -8.346 1.00 0.31 H new ATOM 0 HB2 ASP A 45 -13.992 -0.725 -8.852 1.00 34.24 H new ATOM 0 HB3 ASP A 45 -13.201 0.566 -7.970 1.00 34.24 H new ATOM 745 N PRO A 46 -9.799 -1.750 -7.650 1.00 44.40 N ATOM 746 CA PRO A 46 -8.379 -1.418 -7.430 1.00 1.43 C ATOM 747 C PRO A 46 -7.928 -0.125 -8.140 1.00 12.53 C ATOM 748 O PRO A 46 -7.625 -0.127 -9.336 1.00 45.14 O ATOM 749 CB PRO A 46 -7.648 -2.632 -8.013 1.00 53.25 C ATOM 750 CG PRO A 46 -8.609 -3.757 -7.842 1.00 41.03 C ATOM 751 CD PRO A 46 -9.974 -3.158 -8.060 1.00 44.12 C ATOM 0 HA PRO A 46 -8.173 -1.227 -6.377 1.00 1.43 H new ATOM 0 HB2 PRO A 46 -7.397 -2.479 -9.063 1.00 53.25 H new ATOM 0 HB3 PRO A 46 -6.713 -2.824 -7.487 1.00 53.25 H new ATOM 0 HG2 PRO A 46 -8.411 -4.554 -8.559 1.00 41.03 H new ATOM 0 HG3 PRO A 46 -8.527 -4.195 -6.847 1.00 41.03 H new ATOM 0 HD2 PRO A 46 -10.286 -3.238 -9.101 1.00 44.12 H new ATOM 0 HD3 PRO A 46 -10.733 -3.660 -7.460 1.00 44.12 H new ATOM 759 N SER A 47 -7.900 0.982 -7.398 1.00 14.00 N ATOM 760 CA SER A 47 -7.494 2.284 -7.949 1.00 42.34 C ATOM 761 C SER A 47 -6.281 2.854 -7.204 1.00 33.14 C ATOM 762 O SER A 47 -6.372 3.170 -6.015 1.00 64.40 O ATOM 763 CB SER A 47 -8.656 3.285 -7.862 1.00 61.11 C ATOM 764 OG SER A 47 -9.807 2.817 -8.558 1.00 62.30 O ATOM 0 H SER A 47 -8.154 1.007 -6.410 1.00 14.00 H new ATOM 0 HA SER A 47 -7.219 2.127 -8.992 1.00 42.34 H new ATOM 0 HB2 SER A 47 -8.909 3.459 -6.816 1.00 61.11 H new ATOM 0 HB3 SER A 47 -8.343 4.243 -8.278 1.00 61.11 H new ATOM 0 HG SER A 47 -10.133 1.995 -8.135 1.00 62.30 H new ATOM 770 N ILE A 48 -5.154 2.990 -7.901 1.00 34.34 N ATOM 771 CA ILE A 48 -3.923 3.543 -7.309 1.00 55.23 C ATOM 772 C ILE A 48 -4.151 4.943 -6.709 1.00 72.42 C ATOM 773 O ILE A 48 -3.922 5.170 -5.520 1.00 3.43 O ATOM 774 CB ILE A 48 -2.784 3.634 -8.367 1.00 71.11 C ATOM 775 CG1 ILE A 48 -2.398 2.235 -8.883 1.00 32.54 C ATOM 776 CG2 ILE A 48 -1.559 4.354 -7.794 1.00 15.54 C ATOM 777 CD1 ILE A 48 -1.767 1.341 -7.832 1.00 25.23 C ATOM 0 H ILE A 48 -5.062 2.725 -8.882 1.00 34.34 H new ATOM 0 HA ILE A 48 -3.632 2.860 -6.511 1.00 55.23 H new ATOM 0 HB ILE A 48 -3.158 4.216 -9.209 1.00 71.11 H new ATOM 0 HG12 ILE A 48 -3.289 1.745 -9.274 1.00 32.54 H new ATOM 0 HG13 ILE A 48 -1.703 2.345 -9.716 1.00 32.54 H new ATOM 0 HG21 ILE A 48 -0.778 4.404 -8.553 1.00 15.54 H new ATOM 0 HG22 ILE A 48 -1.838 5.364 -7.493 1.00 15.54 H new ATOM 0 HG23 ILE A 48 -1.188 3.807 -6.927 1.00 15.54 H new ATOM 0 HD11 ILE A 48 -1.524 0.375 -8.274 1.00 25.23 H new ATOM 0 HD12 ILE A 48 -0.856 1.807 -7.457 1.00 25.23 H new ATOM 0 HD13 ILE A 48 -2.467 1.198 -7.009 1.00 25.23 H new ATOM 789 N LYS A 49 -4.628 5.866 -7.539 1.00 70.41 N ATOM 790 CA LYS A 49 -4.747 7.278 -7.153 1.00 24.55 C ATOM 791 C LYS A 49 -5.845 7.488 -6.097 1.00 5.23 C ATOM 792 O LYS A 49 -5.656 8.233 -5.133 1.00 74.15 O ATOM 793 CB LYS A 49 -5.026 8.136 -8.395 1.00 53.22 C ATOM 794 CG LYS A 49 -3.970 7.982 -9.490 1.00 4.42 C ATOM 795 CD LYS A 49 -4.311 8.783 -10.742 1.00 25.34 C ATOM 796 CE LYS A 49 -4.336 10.286 -10.476 1.00 13.33 C ATOM 797 NZ LYS A 49 -3.029 10.785 -9.965 1.00 75.31 N ATOM 0 H LYS A 49 -4.941 5.665 -8.489 1.00 70.41 H new ATOM 0 HA LYS A 49 -3.802 7.587 -6.706 1.00 24.55 H new ATOM 0 HB2 LYS A 49 -6.001 7.868 -8.801 1.00 53.22 H new ATOM 0 HB3 LYS A 49 -5.081 9.184 -8.099 1.00 53.22 H new ATOM 0 HG2 LYS A 49 -3.003 8.306 -9.106 1.00 4.42 H new ATOM 0 HG3 LYS A 49 -3.872 6.928 -9.751 1.00 4.42 H new ATOM 0 HD2 LYS A 49 -3.580 8.566 -11.521 1.00 25.34 H new ATOM 0 HD3 LYS A 49 -5.283 8.466 -11.120 1.00 25.34 H new ATOM 0 HE2 LYS A 49 -4.590 10.813 -11.396 1.00 13.33 H new ATOM 0 HE3 LYS A 49 -5.119 10.513 -9.752 1.00 13.33 H new ATOM 0 HZ1 LYS A 49 -3.021 11.825 -9.990 1.00 75.31 H new ATOM 0 HZ2 LYS A 49 -2.892 10.461 -8.986 1.00 75.31 H new ATOM 0 HZ3 LYS A 49 -2.260 10.418 -10.562 1.00 75.31 H new ATOM 811 N SER A 50 -6.990 6.827 -6.285 1.00 42.42 N ATOM 812 CA SER A 50 -8.102 6.905 -5.317 1.00 62.44 C ATOM 813 C SER A 50 -7.678 6.392 -3.936 1.00 13.55 C ATOM 814 O SER A 50 -7.980 7.012 -2.916 1.00 34.43 O ATOM 815 CB SER A 50 -9.315 6.104 -5.805 1.00 25.32 C ATOM 816 OG SER A 50 -10.384 6.166 -4.870 1.00 14.32 O ATOM 0 H SER A 50 -7.177 6.233 -7.093 1.00 42.42 H new ATOM 0 HA SER A 50 -8.378 7.956 -5.233 1.00 62.44 H new ATOM 0 HB2 SER A 50 -9.647 6.493 -6.767 1.00 25.32 H new ATOM 0 HB3 SER A 50 -9.027 5.065 -5.964 1.00 25.32 H new ATOM 0 HG SER A 50 -11.144 5.648 -5.208 1.00 14.32 H new ATOM 822 N SER A 51 -6.970 5.261 -3.909 1.00 23.40 N ATOM 823 CA SER A 51 -6.465 4.697 -2.646 1.00 71.01 C ATOM 824 C SER A 51 -5.536 5.683 -1.927 1.00 23.11 C ATOM 825 O SER A 51 -5.701 5.945 -0.738 1.00 65.41 O ATOM 826 CB SER A 51 -5.733 3.370 -2.893 1.00 41.30 C ATOM 827 OG SER A 51 -6.619 2.374 -3.387 1.00 51.23 O ATOM 0 H SER A 51 -6.732 4.717 -4.739 1.00 23.40 H new ATOM 0 HA SER A 51 -7.327 4.509 -2.005 1.00 71.01 H new ATOM 0 HB2 SER A 51 -4.924 3.526 -3.607 1.00 41.30 H new ATOM 0 HB3 SER A 51 -5.277 3.026 -1.965 1.00 41.30 H new ATOM 0 HG SER A 51 -6.699 2.461 -4.360 1.00 51.23 H new ATOM 833 N LEU A 52 -4.564 6.236 -2.654 1.00 10.30 N ATOM 834 CA LEU A 52 -3.658 7.248 -2.092 1.00 54.43 C ATOM 835 C LEU A 52 -4.443 8.460 -1.565 1.00 61.21 C ATOM 836 O LEU A 52 -4.156 8.989 -0.486 1.00 11.34 O ATOM 837 CB LEU A 52 -2.652 7.701 -3.158 1.00 62.41 C ATOM 838 CG LEU A 52 -1.713 6.604 -3.689 1.00 72.03 C ATOM 839 CD1 LEU A 52 -0.846 7.137 -4.827 1.00 23.05 C ATOM 840 CD2 LEU A 52 -0.841 6.044 -2.564 1.00 5.23 C ATOM 0 H LEU A 52 -4.381 6.004 -3.630 1.00 10.30 H new ATOM 0 HA LEU A 52 -3.122 6.798 -1.256 1.00 54.43 H new ATOM 0 HB2 LEU A 52 -3.204 8.121 -3.999 1.00 62.41 H new ATOM 0 HB3 LEU A 52 -2.045 8.505 -2.742 1.00 62.41 H new ATOM 0 HG LEU A 52 -2.328 5.793 -4.080 1.00 72.03 H new ATOM 0 HD11 LEU A 52 -0.190 6.344 -5.187 1.00 23.05 H new ATOM 0 HD12 LEU A 52 -1.485 7.478 -5.642 1.00 23.05 H new ATOM 0 HD13 LEU A 52 -0.243 7.970 -4.466 1.00 23.05 H new ATOM 0 HD21 LEU A 52 -0.185 5.270 -2.963 1.00 5.23 H new ATOM 0 HD22 LEU A 52 -0.238 6.846 -2.137 1.00 5.23 H new ATOM 0 HD23 LEU A 52 -1.477 5.617 -1.789 1.00 5.23 H new ATOM 852 N LYS A 53 -5.437 8.887 -2.340 1.00 4.53 N ATOM 853 CA LYS A 53 -6.317 9.993 -1.951 1.00 50.42 C ATOM 854 C LYS A 53 -7.109 9.641 -0.680 1.00 11.11 C ATOM 855 O LYS A 53 -7.357 10.498 0.168 1.00 10.25 O ATOM 856 CB LYS A 53 -7.258 10.331 -3.125 1.00 62.12 C ATOM 857 CG LYS A 53 -8.138 11.573 -2.921 1.00 74.34 C ATOM 858 CD LYS A 53 -9.455 11.246 -2.216 1.00 14.42 C ATOM 859 CE LYS A 53 -10.316 12.490 -2.031 1.00 62.42 C ATOM 860 NZ LYS A 53 -11.621 12.178 -1.389 1.00 74.43 N ATOM 0 H LYS A 53 -5.657 8.481 -3.250 1.00 4.53 H new ATOM 0 HA LYS A 53 -5.714 10.871 -1.721 1.00 50.42 H new ATOM 0 HB2 LYS A 53 -6.656 10.475 -4.022 1.00 62.12 H new ATOM 0 HB3 LYS A 53 -7.905 9.473 -3.310 1.00 62.12 H new ATOM 0 HG2 LYS A 53 -7.590 12.311 -2.336 1.00 74.34 H new ATOM 0 HG3 LYS A 53 -8.350 12.027 -3.889 1.00 74.34 H new ATOM 0 HD2 LYS A 53 -10.005 10.505 -2.796 1.00 14.42 H new ATOM 0 HD3 LYS A 53 -9.247 10.799 -1.244 1.00 14.42 H new ATOM 0 HE2 LYS A 53 -9.777 13.216 -1.422 1.00 62.42 H new ATOM 0 HE3 LYS A 53 -10.492 12.956 -3.001 1.00 62.42 H new ATOM 0 HZ1 LYS A 53 -12.174 13.053 -1.283 1.00 74.43 H new ATOM 0 HZ2 LYS A 53 -12.148 11.506 -1.982 1.00 74.43 H new ATOM 0 HZ3 LYS A 53 -11.455 11.757 -0.452 1.00 74.43 H new ATOM 874 N PHE A 54 -7.485 8.370 -0.553 1.00 72.14 N ATOM 875 CA PHE A 54 -8.183 7.877 0.638 1.00 32.33 C ATOM 876 C PHE A 54 -7.236 7.822 1.853 1.00 22.54 C ATOM 877 O PHE A 54 -7.637 8.117 2.982 1.00 61.22 O ATOM 878 CB PHE A 54 -8.771 6.485 0.354 1.00 13.44 C ATOM 879 CG PHE A 54 -9.579 5.911 1.492 1.00 64.41 C ATOM 880 CD1 PHE A 54 -10.878 6.345 1.724 1.00 65.31 C ATOM 881 CD2 PHE A 54 -9.042 4.943 2.331 1.00 2.02 C ATOM 882 CE1 PHE A 54 -11.621 5.822 2.764 1.00 22.22 C ATOM 883 CE2 PHE A 54 -9.785 4.417 3.369 1.00 42.41 C ATOM 884 CZ PHE A 54 -11.076 4.859 3.588 1.00 50.03 C ATOM 0 H PHE A 54 -7.318 7.657 -1.263 1.00 72.14 H new ATOM 0 HA PHE A 54 -8.992 8.568 0.877 1.00 32.33 H new ATOM 0 HB2 PHE A 54 -9.403 6.544 -0.532 1.00 13.44 H new ATOM 0 HB3 PHE A 54 -7.956 5.800 0.120 1.00 13.44 H new ATOM 0 HD1 PHE A 54 -11.312 7.099 1.084 1.00 65.31 H new ATOM 0 HD2 PHE A 54 -8.031 4.598 2.170 1.00 2.02 H new ATOM 0 HE1 PHE A 54 -12.630 6.167 2.933 1.00 22.22 H new ATOM 0 HE2 PHE A 54 -9.357 3.660 4.010 1.00 42.41 H new ATOM 0 HZ PHE A 54 -11.657 4.452 4.402 1.00 50.03 H new ATOM 894 N LEU A 55 -5.978 7.451 1.611 1.00 45.14 N ATOM 895 CA LEU A 55 -4.959 7.408 2.668 1.00 11.41 C ATOM 896 C LEU A 55 -4.699 8.803 3.258 1.00 51.24 C ATOM 897 O LEU A 55 -4.302 8.935 4.417 1.00 23.51 O ATOM 898 CB LEU A 55 -3.647 6.818 2.131 1.00 4.34 C ATOM 899 CG LEU A 55 -3.730 5.368 1.618 1.00 72.42 C ATOM 900 CD1 LEU A 55 -2.365 4.886 1.128 1.00 24.22 C ATOM 901 CD2 LEU A 55 -4.278 4.439 2.701 1.00 70.12 C ATOM 0 H LEU A 55 -5.637 7.175 0.690 1.00 45.14 H new ATOM 0 HA LEU A 55 -5.341 6.767 3.463 1.00 11.41 H new ATOM 0 HB2 LEU A 55 -3.290 7.452 1.319 1.00 4.34 H new ATOM 0 HB3 LEU A 55 -2.899 6.862 2.922 1.00 4.34 H new ATOM 0 HG LEU A 55 -4.419 5.347 0.774 1.00 72.42 H new ATOM 0 HD11 LEU A 55 -2.448 3.860 0.771 1.00 24.22 H new ATOM 0 HD12 LEU A 55 -2.023 5.527 0.315 1.00 24.22 H new ATOM 0 HD13 LEU A 55 -1.649 4.927 1.948 1.00 24.22 H new ATOM 0 HD21 LEU A 55 -4.328 3.421 2.316 1.00 70.12 H new ATOM 0 HD22 LEU A 55 -3.621 4.467 3.570 1.00 70.12 H new ATOM 0 HD23 LEU A 55 -5.277 4.767 2.990 1.00 70.12 H new ATOM 913 N ARG A 56 -4.913 9.845 2.449 1.00 45.23 N ATOM 914 CA ARG A 56 -4.788 11.234 2.919 1.00 13.44 C ATOM 915 C ARG A 56 -5.727 11.513 4.108 1.00 14.22 C ATOM 916 O ARG A 56 -5.424 12.335 4.978 1.00 45.43 O ATOM 917 CB ARG A 56 -5.098 12.217 1.784 1.00 5.43 C ATOM 918 CG ARG A 56 -4.198 12.060 0.561 1.00 35.42 C ATOM 919 CD ARG A 56 -4.565 13.051 -0.537 1.00 61.51 C ATOM 920 NE ARG A 56 -3.812 12.821 -1.770 1.00 73.15 N ATOM 921 CZ ARG A 56 -4.030 13.462 -2.889 1.00 1.40 C ATOM 922 NH1 ARG A 56 -4.936 14.386 -2.950 1.00 34.22 N ATOM 923 NH2 ARG A 56 -3.330 13.183 -3.942 1.00 4.03 N ATOM 0 H ARG A 56 -5.173 9.757 1.467 1.00 45.23 H new ATOM 0 HA ARG A 56 -3.759 11.374 3.249 1.00 13.44 H new ATOM 0 HB2 ARG A 56 -6.136 12.086 1.477 1.00 5.43 H new ATOM 0 HB3 ARG A 56 -5.004 13.235 2.163 1.00 5.43 H new ATOM 0 HG2 ARG A 56 -3.158 12.208 0.852 1.00 35.42 H new ATOM 0 HG3 ARG A 56 -4.280 11.043 0.176 1.00 35.42 H new ATOM 0 HD2 ARG A 56 -5.632 12.978 -0.747 1.00 61.51 H new ATOM 0 HD3 ARG A 56 -4.379 14.065 -0.184 1.00 61.51 H new ATOM 0 HE ARG A 56 -3.073 12.119 -1.756 1.00 73.15 H new ATOM 0 HH11 ARG A 56 -5.485 14.618 -2.122 1.00 34.22 H new ATOM 0 HH12 ARG A 56 -5.101 14.882 -3.826 1.00 34.22 H new ATOM 0 HH21 ARG A 56 -2.609 12.463 -3.899 1.00 4.03 H new ATOM 0 HH22 ARG A 56 -3.500 13.683 -4.815 1.00 4.03 H new ATOM 937 N LYS A 57 -6.877 10.838 4.124 1.00 13.04 N ATOM 938 CA LYS A 57 -7.822 10.928 5.245 1.00 72.30 C ATOM 939 C LYS A 57 -7.523 9.851 6.294 1.00 2.42 C ATOM 940 O LYS A 57 -7.348 10.145 7.480 1.00 31.21 O ATOM 941 CB LYS A 57 -9.269 10.769 4.752 1.00 61.54 C ATOM 942 CG LYS A 57 -9.767 11.917 3.880 1.00 21.24 C ATOM 943 CD LYS A 57 -11.200 11.676 3.407 1.00 15.31 C ATOM 944 CE LYS A 57 -11.769 12.877 2.664 1.00 71.32 C ATOM 945 NZ LYS A 57 -11.936 14.059 3.551 1.00 61.44 N ATOM 0 H LYS A 57 -7.180 10.220 3.371 1.00 13.04 H new ATOM 0 HA LYS A 57 -7.705 11.912 5.698 1.00 72.30 H new ATOM 0 HB2 LYS A 57 -9.348 9.840 4.188 1.00 61.54 H new ATOM 0 HB3 LYS A 57 -9.926 10.674 5.616 1.00 61.54 H new ATOM 0 HG2 LYS A 57 -9.720 12.850 4.442 1.00 21.24 H new ATOM 0 HG3 LYS A 57 -9.111 12.031 3.017 1.00 21.24 H new ATOM 0 HD2 LYS A 57 -11.224 10.803 2.755 1.00 15.31 H new ATOM 0 HD3 LYS A 57 -11.831 11.450 4.266 1.00 15.31 H new ATOM 0 HE2 LYS A 57 -11.109 13.136 1.836 1.00 71.32 H new ATOM 0 HE3 LYS A 57 -12.733 12.611 2.231 1.00 71.32 H new ATOM 0 HZ1 LYS A 57 -12.507 14.780 3.065 1.00 61.44 H new ATOM 0 HZ2 LYS A 57 -12.415 13.770 4.428 1.00 61.44 H new ATOM 0 HZ3 LYS A 57 -11.002 14.455 3.781 1.00 61.44 H new ATOM 959 N THR A 58 -7.470 8.603 5.845 1.00 41.41 N ATOM 960 CA THR A 58 -7.211 7.463 6.729 1.00 25.54 C ATOM 961 C THR A 58 -5.700 7.216 6.879 1.00 53.01 C ATOM 962 O THR A 58 -5.118 6.364 6.201 1.00 22.52 O ATOM 963 CB THR A 58 -7.899 6.178 6.200 1.00 51.00 C ATOM 964 OG1 THR A 58 -9.286 6.437 5.926 1.00 33.50 O ATOM 965 CG2 THR A 58 -7.789 5.043 7.210 1.00 22.14 C ATOM 0 H THR A 58 -7.604 8.349 4.866 1.00 41.41 H new ATOM 0 HA THR A 58 -7.628 7.707 7.706 1.00 25.54 H new ATOM 0 HB THR A 58 -7.392 5.880 5.282 1.00 51.00 H new ATOM 0 HG1 THR A 58 -9.586 5.865 5.189 1.00 33.50 H new ATOM 0 HG21 THR A 58 -8.280 4.154 6.813 1.00 22.14 H new ATOM 0 HG22 THR A 58 -6.738 4.824 7.398 1.00 22.14 H new ATOM 0 HG23 THR A 58 -8.270 5.338 8.142 1.00 22.14 H new ATOM 973 N ASP A 59 -5.071 7.979 7.768 1.00 72.20 N ATOM 974 CA ASP A 59 -3.618 7.933 7.960 1.00 70.43 C ATOM 975 C ASP A 59 -3.138 6.567 8.483 1.00 62.30 C ATOM 976 O ASP A 59 -2.126 6.040 8.017 1.00 25.34 O ATOM 977 CB ASP A 59 -3.186 9.059 8.912 1.00 30.04 C ATOM 978 CG ASP A 59 -3.845 8.961 10.279 1.00 23.50 C ATOM 979 OD1 ASP A 59 -5.088 8.884 10.343 1.00 12.31 O ATOM 980 OD2 ASP A 59 -3.127 8.960 11.300 1.00 65.11 O ATOM 0 H ASP A 59 -5.548 8.645 8.375 1.00 72.20 H new ATOM 0 HA ASP A 59 -3.150 8.078 6.986 1.00 70.43 H new ATOM 0 HB2 ASP A 59 -2.103 9.031 9.033 1.00 30.04 H new ATOM 0 HB3 ASP A 59 -3.432 10.022 8.464 1.00 30.04 H new ATOM 985 N TRP A 60 -3.870 5.989 9.439 1.00 14.45 N ATOM 986 CA TRP A 60 -3.486 4.694 10.023 1.00 72.13 C ATOM 987 C TRP A 60 -3.436 3.576 8.964 1.00 34.25 C ATOM 988 O TRP A 60 -2.625 2.652 9.063 1.00 34.41 O ATOM 989 CB TRP A 60 -4.424 4.307 11.178 1.00 22.12 C ATOM 990 CG TRP A 60 -5.873 4.166 10.792 1.00 12.44 C ATOM 991 CD1 TRP A 60 -6.822 5.149 10.790 1.00 75.34 C ATOM 992 CD2 TRP A 60 -6.536 2.970 10.367 1.00 44.32 C ATOM 993 NE1 TRP A 60 -8.030 4.636 10.393 1.00 33.25 N ATOM 994 CE2 TRP A 60 -7.882 3.301 10.126 1.00 15.53 C ATOM 995 CE3 TRP A 60 -6.123 1.649 10.166 1.00 13.04 C ATOM 996 CZ2 TRP A 60 -8.814 2.365 9.690 1.00 14.25 C ATOM 997 CZ3 TRP A 60 -7.049 0.720 9.733 1.00 30.31 C ATOM 998 CH2 TRP A 60 -8.382 1.081 9.501 1.00 34.11 C ATOM 0 H TRP A 60 -4.725 6.390 9.825 1.00 14.45 H new ATOM 0 HA TRP A 60 -2.479 4.811 10.423 1.00 72.13 H new ATOM 0 HB2 TRP A 60 -4.082 3.364 11.605 1.00 22.12 H new ATOM 0 HB3 TRP A 60 -4.343 5.060 11.962 1.00 22.12 H new ATOM 0 HD1 TRP A 60 -6.646 6.179 11.061 1.00 75.34 H new ATOM 0 HE1 TRP A 60 -8.899 5.164 10.310 1.00 33.25 H new ATOM 0 HE3 TRP A 60 -5.098 1.360 10.346 1.00 13.04 H new ATOM 0 HZ2 TRP A 60 -9.842 2.642 9.507 1.00 14.25 H new ATOM 0 HZ3 TRP A 60 -6.740 -0.302 9.571 1.00 30.31 H new ATOM 0 HH2 TRP A 60 -9.083 0.331 9.166 1.00 34.11 H new ATOM 1009 N ALA A 61 -4.291 3.667 7.948 1.00 20.44 N ATOM 1010 CA ALA A 61 -4.249 2.721 6.829 1.00 41.41 C ATOM 1011 C ALA A 61 -2.927 2.851 6.063 1.00 0.10 C ATOM 1012 O ALA A 61 -2.288 1.854 5.736 1.00 60.12 O ATOM 1013 CB ALA A 61 -5.431 2.937 5.892 1.00 33.43 C ATOM 0 H ALA A 61 -5.017 4.379 7.874 1.00 20.44 H new ATOM 0 HA ALA A 61 -4.316 1.712 7.235 1.00 41.41 H new ATOM 0 HB1 ALA A 61 -5.378 2.224 5.069 1.00 33.43 H new ATOM 0 HB2 ALA A 61 -6.362 2.791 6.440 1.00 33.43 H new ATOM 0 HB3 ALA A 61 -5.400 3.952 5.495 1.00 33.43 H new ATOM 1019 N ARG A 62 -2.515 4.093 5.798 1.00 32.13 N ATOM 1020 CA ARG A 62 -1.233 4.368 5.137 1.00 13.33 C ATOM 1021 C ARG A 62 -0.063 3.756 5.926 1.00 13.32 C ATOM 1022 O ARG A 62 0.872 3.203 5.343 1.00 2.31 O ATOM 1023 CB ARG A 62 -1.051 5.890 4.960 1.00 44.45 C ATOM 1024 CG ARG A 62 0.291 6.314 4.347 1.00 71.24 C ATOM 1025 CD ARG A 62 1.343 6.643 5.415 1.00 1.34 C ATOM 1026 NE ARG A 62 2.657 6.912 4.834 1.00 75.22 N ATOM 1027 CZ ARG A 62 3.080 8.095 4.476 1.00 33.34 C ATOM 1028 NH1 ARG A 62 2.323 9.138 4.602 1.00 73.32 N ATOM 1029 NH2 ARG A 62 4.270 8.233 3.992 1.00 61.43 N ATOM 0 H ARG A 62 -3.052 4.928 6.031 1.00 32.13 H new ATOM 0 HA ARG A 62 -1.239 3.902 4.152 1.00 13.33 H new ATOM 0 HB2 ARG A 62 -1.857 6.267 4.330 1.00 44.45 H new ATOM 0 HB3 ARG A 62 -1.157 6.369 5.933 1.00 44.45 H new ATOM 0 HG2 ARG A 62 0.664 5.514 3.707 1.00 71.24 H new ATOM 0 HG3 ARG A 62 0.138 7.186 3.711 1.00 71.24 H new ATOM 0 HD2 ARG A 62 1.017 7.511 5.988 1.00 1.34 H new ATOM 0 HD3 ARG A 62 1.421 5.810 6.114 1.00 1.34 H new ATOM 0 HE ARG A 62 3.287 6.121 4.699 1.00 75.22 H new ATOM 0 HH11 ARG A 62 1.383 9.042 4.985 1.00 73.32 H new ATOM 0 HH12 ARG A 62 2.667 10.055 4.318 1.00 73.32 H new ATOM 0 HH21 ARG A 62 4.877 7.419 3.890 1.00 61.43 H new ATOM 0 HH22 ARG A 62 4.603 9.156 3.712 1.00 61.43 H new ATOM 1043 N GLU A 63 -0.131 3.851 7.256 1.00 32.21 N ATOM 1044 CA GLU A 63 0.883 3.251 8.129 1.00 52.11 C ATOM 1045 C GLU A 63 0.924 1.719 7.968 1.00 73.02 C ATOM 1046 O GLU A 63 1.993 1.106 7.999 1.00 51.24 O ATOM 1047 CB GLU A 63 0.605 3.625 9.593 1.00 74.50 C ATOM 1048 CG GLU A 63 0.629 5.131 9.857 1.00 35.02 C ATOM 1049 CD GLU A 63 0.377 5.483 11.317 1.00 11.23 C ATOM 1050 OE1 GLU A 63 1.318 5.371 12.131 1.00 43.40 O ATOM 1051 OE2 GLU A 63 -0.761 5.870 11.660 1.00 20.01 O ATOM 0 H GLU A 63 -0.877 4.338 7.753 1.00 32.21 H new ATOM 0 HA GLU A 63 1.857 3.644 7.838 1.00 52.11 H new ATOM 0 HB2 GLU A 63 -0.369 3.230 9.881 1.00 74.50 H new ATOM 0 HB3 GLU A 63 1.346 3.141 10.229 1.00 74.50 H new ATOM 0 HG2 GLU A 63 1.596 5.532 9.554 1.00 35.02 H new ATOM 0 HG3 GLU A 63 -0.125 5.615 9.237 1.00 35.02 H new ATOM 1058 N ARG A 64 -0.248 1.107 7.793 1.00 2.05 N ATOM 1059 CA ARG A 64 -0.337 -0.340 7.547 1.00 61.54 C ATOM 1060 C ARG A 64 0.139 -0.699 6.127 1.00 60.51 C ATOM 1061 O ARG A 64 0.703 -1.772 5.904 1.00 51.21 O ATOM 1062 CB ARG A 64 -1.775 -0.836 7.768 1.00 13.04 C ATOM 1063 CG ARG A 64 -2.255 -0.707 9.213 1.00 32.30 C ATOM 1064 CD ARG A 64 -3.692 -1.188 9.394 1.00 61.12 C ATOM 1065 NE ARG A 64 -3.862 -2.605 9.056 1.00 15.44 N ATOM 1066 CZ ARG A 64 -4.669 -3.420 9.689 1.00 53.40 C ATOM 1067 NH1 ARG A 64 -5.316 -3.033 10.743 1.00 55.51 N ATOM 1068 NH2 ARG A 64 -4.799 -4.643 9.288 1.00 30.10 N ATOM 0 H ARG A 64 -1.148 1.586 7.816 1.00 2.05 H new ATOM 0 HA ARG A 64 0.322 -0.838 8.258 1.00 61.54 H new ATOM 0 HB2 ARG A 64 -2.447 -0.274 7.120 1.00 13.04 H new ATOM 0 HB3 ARG A 64 -1.840 -1.881 7.465 1.00 13.04 H new ATOM 0 HG2 ARG A 64 -1.597 -1.283 9.864 1.00 32.30 H new ATOM 0 HG3 ARG A 64 -2.181 0.335 9.526 1.00 32.30 H new ATOM 0 HD2 ARG A 64 -3.997 -1.026 10.428 1.00 61.12 H new ATOM 0 HD3 ARG A 64 -4.353 -0.588 8.769 1.00 61.12 H new ATOM 0 HE ARG A 64 -3.318 -2.980 8.279 1.00 15.44 H new ATOM 0 HH11 ARG A 64 -5.201 -2.081 11.091 1.00 55.51 H new ATOM 0 HH12 ARG A 64 -5.941 -3.680 11.224 1.00 55.51 H new ATOM 0 HH21 ARG A 64 -4.273 -4.973 8.479 1.00 30.10 H new ATOM 0 HH22 ARG A 64 -5.427 -5.277 9.781 1.00 30.10 H new ATOM 1082 N VAL A 65 -0.088 0.207 5.174 1.00 73.41 N ATOM 1083 CA VAL A 65 0.379 0.020 3.792 1.00 4.25 C ATOM 1084 C VAL A 65 1.917 -0.053 3.723 1.00 11.24 C ATOM 1085 O VAL A 65 2.483 -1.015 3.196 1.00 51.24 O ATOM 1086 CB VAL A 65 -0.134 1.157 2.863 1.00 62.52 C ATOM 1087 CG1 VAL A 65 0.472 1.042 1.463 1.00 51.22 C ATOM 1088 CG2 VAL A 65 -1.661 1.141 2.788 1.00 21.24 C ATOM 0 H VAL A 65 -0.593 1.080 5.331 1.00 73.41 H new ATOM 0 HA VAL A 65 -0.031 -0.928 3.444 1.00 4.25 H new ATOM 0 HB VAL A 65 0.184 2.108 3.290 1.00 62.52 H new ATOM 0 HG11 VAL A 65 0.095 1.850 0.836 1.00 51.22 H new ATOM 0 HG12 VAL A 65 1.558 1.111 1.530 1.00 51.22 H new ATOM 0 HG13 VAL A 65 0.195 0.083 1.024 1.00 51.22 H new ATOM 0 HG21 VAL A 65 -2.002 1.943 2.134 1.00 21.24 H new ATOM 0 HG22 VAL A 65 -1.996 0.183 2.391 1.00 21.24 H new ATOM 0 HG23 VAL A 65 -2.076 1.286 3.786 1.00 21.24 H new ATOM 1098 N GLU A 66 2.593 0.958 4.270 1.00 52.22 N ATOM 1099 CA GLU A 66 4.062 0.972 4.287 1.00 2.12 C ATOM 1100 C GLU A 66 4.626 -0.147 5.178 1.00 71.00 C ATOM 1101 O GLU A 66 5.756 -0.592 4.983 1.00 31.34 O ATOM 1102 CB GLU A 66 4.597 2.339 4.734 1.00 22.12 C ATOM 1103 CG GLU A 66 4.114 2.787 6.106 1.00 71.24 C ATOM 1104 CD GLU A 66 4.731 4.107 6.531 1.00 32.30 C ATOM 1105 OE1 GLU A 66 4.527 5.117 5.824 1.00 23.32 O ATOM 1106 OE2 GLU A 66 5.438 4.140 7.561 1.00 13.03 O ATOM 0 H GLU A 66 2.156 1.771 4.704 1.00 52.22 H new ATOM 0 HA GLU A 66 4.400 0.790 3.267 1.00 2.12 H new ATOM 0 HB2 GLU A 66 5.686 2.305 4.740 1.00 22.12 H new ATOM 0 HB3 GLU A 66 4.305 3.088 3.998 1.00 22.12 H new ATOM 0 HG2 GLU A 66 3.028 2.883 6.093 1.00 71.24 H new ATOM 0 HG3 GLU A 66 4.357 2.021 6.842 1.00 71.24 H new ATOM 1113 N ASN A 67 3.836 -0.604 6.151 1.00 13.42 N ATOM 1114 CA ASN A 67 4.205 -1.777 6.957 1.00 41.41 C ATOM 1115 C ASN A 67 4.386 -3.007 6.050 1.00 75.12 C ATOM 1116 O ASN A 67 5.345 -3.768 6.189 1.00 2.13 O ATOM 1117 CB ASN A 67 3.134 -2.047 8.019 1.00 43.43 C ATOM 1118 CG ASN A 67 3.489 -3.201 8.942 1.00 11.34 C ATOM 1119 OD1 ASN A 67 4.656 -3.465 9.216 1.00 51.13 O ATOM 1120 ND2 ASN A 67 2.483 -3.898 9.428 1.00 63.45 N ATOM 0 H ASN A 67 2.941 -0.185 6.402 1.00 13.42 H new ATOM 0 HA ASN A 67 5.150 -1.575 7.462 1.00 41.41 H new ATOM 0 HB2 ASN A 67 2.985 -1.146 8.614 1.00 43.43 H new ATOM 0 HB3 ASN A 67 2.187 -2.263 7.525 1.00 43.43 H new ATOM 0 HD21 ASN A 67 2.662 -4.684 10.053 1.00 63.45 H new ATOM 0 HD22 ASN A 67 1.525 -3.652 9.180 1.00 63.45 H new ATOM 1127 N ILE A 68 3.457 -3.181 5.107 1.00 11.42 N ATOM 1128 CA ILE A 68 3.564 -4.234 4.088 1.00 10.22 C ATOM 1129 C ILE A 68 4.855 -4.064 3.264 1.00 12.22 C ATOM 1130 O ILE A 68 5.541 -5.038 2.937 1.00 31.20 O ATOM 1131 CB ILE A 68 2.337 -4.211 3.136 1.00 62.51 C ATOM 1132 CG1 ILE A 68 1.032 -4.356 3.940 1.00 64.14 C ATOM 1133 CG2 ILE A 68 2.448 -5.309 2.078 1.00 22.24 C ATOM 1134 CD1 ILE A 68 -0.224 -4.213 3.105 1.00 63.15 C ATOM 0 H ILE A 68 2.619 -2.605 5.026 1.00 11.42 H new ATOM 0 HA ILE A 68 3.593 -5.193 4.605 1.00 10.22 H new ATOM 0 HB ILE A 68 2.320 -3.250 2.621 1.00 62.51 H new ATOM 0 HG12 ILE A 68 1.023 -5.331 4.427 1.00 64.14 H new ATOM 0 HG13 ILE A 68 1.018 -3.605 4.730 1.00 64.14 H new ATOM 0 HG21 ILE A 68 1.577 -5.273 1.423 1.00 22.24 H new ATOM 0 HG22 ILE A 68 3.352 -5.156 1.488 1.00 22.24 H new ATOM 0 HG23 ILE A 68 2.494 -6.282 2.567 1.00 22.24 H new ATOM 0 HD11 ILE A 68 -1.100 -4.328 3.743 1.00 63.15 H new ATOM 0 HD12 ILE A 68 -0.241 -3.228 2.639 1.00 63.15 H new ATOM 0 HD13 ILE A 68 -0.236 -4.981 2.331 1.00 63.15 H new ATOM 1146 N TYR A 69 5.172 -2.811 2.936 1.00 52.22 N ATOM 1147 CA TYR A 69 6.421 -2.473 2.243 1.00 24.01 C ATOM 1148 C TYR A 69 7.649 -2.894 3.070 1.00 74.34 C ATOM 1149 O TYR A 69 8.613 -3.441 2.535 1.00 34.11 O ATOM 1150 CB TYR A 69 6.457 -0.964 1.952 1.00 54.14 C ATOM 1151 CG TYR A 69 7.718 -0.480 1.252 1.00 73.43 C ATOM 1152 CD1 TYR A 69 7.861 -0.588 -0.129 1.00 40.34 C ATOM 1153 CD2 TYR A 69 8.764 0.089 1.974 1.00 54.01 C ATOM 1154 CE1 TYR A 69 9.005 -0.143 -0.766 1.00 1.21 C ATOM 1155 CE2 TYR A 69 9.907 0.536 1.343 1.00 4.15 C ATOM 1156 CZ TYR A 69 10.023 0.418 -0.025 1.00 15.34 C ATOM 1157 OH TYR A 69 11.168 0.853 -0.652 1.00 24.21 O ATOM 0 H TYR A 69 4.578 -2.007 3.140 1.00 52.22 H new ATOM 0 HA TYR A 69 6.455 -3.021 1.302 1.00 24.01 H new ATOM 0 HB2 TYR A 69 5.595 -0.706 1.337 1.00 54.14 H new ATOM 0 HB3 TYR A 69 6.350 -0.424 2.893 1.00 54.14 H new ATOM 0 HD1 TYR A 69 7.065 -1.027 -0.712 1.00 40.34 H new ATOM 0 HD2 TYR A 69 8.679 0.182 3.047 1.00 54.01 H new ATOM 0 HE1 TYR A 69 9.100 -0.234 -1.838 1.00 1.21 H new ATOM 0 HE2 TYR A 69 10.707 0.977 1.919 1.00 4.15 H new ATOM 0 HH TYR A 69 11.785 1.223 0.013 1.00 24.21 H new ATOM 1167 N LEU A 70 7.609 -2.634 4.378 1.00 14.10 N ATOM 1168 CA LEU A 70 8.679 -3.059 5.287 1.00 30.22 C ATOM 1169 C LEU A 70 8.835 -4.590 5.274 1.00 1.01 C ATOM 1170 O LEU A 70 9.951 -5.113 5.201 1.00 11.31 O ATOM 1171 CB LEU A 70 8.393 -2.566 6.715 1.00 64.21 C ATOM 1172 CG LEU A 70 8.311 -1.037 6.882 1.00 32.21 C ATOM 1173 CD1 LEU A 70 7.963 -0.663 8.322 1.00 33.10 C ATOM 1174 CD2 LEU A 70 9.618 -0.375 6.445 1.00 65.44 C ATOM 0 H LEU A 70 6.847 -2.131 4.833 1.00 14.10 H new ATOM 0 HA LEU A 70 9.614 -2.618 4.942 1.00 30.22 H new ATOM 0 HB2 LEU A 70 7.452 -3.002 7.050 1.00 64.21 H new ATOM 0 HB3 LEU A 70 9.173 -2.945 7.375 1.00 64.21 H new ATOM 0 HG LEU A 70 7.513 -0.667 6.239 1.00 32.21 H new ATOM 0 HD11 LEU A 70 7.911 0.422 8.414 1.00 33.10 H new ATOM 0 HD12 LEU A 70 6.999 -1.096 8.588 1.00 33.10 H new ATOM 0 HD13 LEU A 70 8.731 -1.048 8.993 1.00 33.10 H new ATOM 0 HD21 LEU A 70 9.539 0.705 6.571 1.00 65.44 H new ATOM 0 HD22 LEU A 70 10.439 -0.752 7.055 1.00 65.44 H new ATOM 0 HD23 LEU A 70 9.810 -0.605 5.397 1.00 65.44 H new ATOM 1186 N LYS A 71 7.704 -5.296 5.336 1.00 13.32 N ATOM 1187 CA LYS A 71 7.689 -6.761 5.220 1.00 13.22 C ATOM 1188 C LYS A 71 8.376 -7.220 3.920 1.00 1.21 C ATOM 1189 O LYS A 71 9.105 -8.211 3.902 1.00 42.31 O ATOM 1190 CB LYS A 71 6.241 -7.278 5.254 1.00 54.41 C ATOM 1191 CG LYS A 71 5.505 -6.957 6.552 1.00 14.22 C ATOM 1192 CD LYS A 71 4.016 -7.315 6.477 1.00 33.25 C ATOM 1193 CE LYS A 71 3.787 -8.806 6.235 1.00 11.24 C ATOM 1194 NZ LYS A 71 2.339 -9.155 6.234 1.00 54.20 N ATOM 0 H LYS A 71 6.783 -4.878 5.466 1.00 13.32 H new ATOM 0 HA LYS A 71 8.241 -7.173 6.065 1.00 13.22 H new ATOM 0 HB2 LYS A 71 5.691 -6.846 4.418 1.00 54.41 H new ATOM 0 HB3 LYS A 71 6.247 -8.358 5.108 1.00 54.41 H new ATOM 0 HG2 LYS A 71 5.967 -7.503 7.374 1.00 14.22 H new ATOM 0 HG3 LYS A 71 5.611 -5.895 6.775 1.00 14.22 H new ATOM 0 HD2 LYS A 71 3.527 -7.021 7.406 1.00 33.25 H new ATOM 0 HD3 LYS A 71 3.548 -6.743 5.676 1.00 33.25 H new ATOM 0 HE2 LYS A 71 4.229 -9.090 5.280 1.00 11.24 H new ATOM 0 HE3 LYS A 71 4.298 -9.381 7.007 1.00 11.24 H new ATOM 0 HZ1 LYS A 71 2.231 -10.187 6.169 1.00 54.20 H new ATOM 0 HZ2 LYS A 71 1.900 -8.816 7.113 1.00 54.20 H new ATOM 0 HZ3 LYS A 71 1.874 -8.706 5.419 1.00 54.20 H new ATOM 1208 N LEU A 72 8.141 -6.475 2.844 1.00 24.54 N ATOM 1209 CA LEU A 72 8.762 -6.757 1.544 1.00 32.40 C ATOM 1210 C LEU A 72 10.283 -6.535 1.587 1.00 41.04 C ATOM 1211 O LEU A 72 11.066 -7.390 1.166 1.00 53.12 O ATOM 1212 CB LEU A 72 8.134 -5.860 0.467 1.00 70.55 C ATOM 1213 CG LEU A 72 8.696 -6.032 -0.955 1.00 5.40 C ATOM 1214 CD1 LEU A 72 8.461 -7.450 -1.467 1.00 22.33 C ATOM 1215 CD2 LEU A 72 8.080 -5.001 -1.898 1.00 73.53 C ATOM 0 H LEU A 72 7.521 -5.665 2.843 1.00 24.54 H new ATOM 0 HA LEU A 72 8.583 -7.805 1.302 1.00 32.40 H new ATOM 0 HB2 LEU A 72 7.062 -6.053 0.440 1.00 70.55 H new ATOM 0 HB3 LEU A 72 8.263 -4.820 0.766 1.00 70.55 H new ATOM 0 HG LEU A 72 9.773 -5.866 -0.921 1.00 5.40 H new ATOM 0 HD11 LEU A 72 8.867 -7.545 -2.474 1.00 22.33 H new ATOM 0 HD12 LEU A 72 8.956 -8.162 -0.807 1.00 22.33 H new ATOM 0 HD13 LEU A 72 7.391 -7.657 -1.487 1.00 22.33 H new ATOM 0 HD21 LEU A 72 8.487 -5.135 -2.900 1.00 73.53 H new ATOM 0 HD22 LEU A 72 6.998 -5.133 -1.925 1.00 73.53 H new ATOM 0 HD23 LEU A 72 8.314 -3.997 -1.543 1.00 73.53 H new ATOM 1227 N GLN A 73 10.696 -5.385 2.115 1.00 35.13 N ATOM 1228 CA GLN A 73 12.117 -5.015 2.156 1.00 33.14 C ATOM 1229 C GLN A 73 12.930 -5.934 3.080 1.00 4.33 C ATOM 1230 O GLN A 73 14.142 -6.076 2.907 1.00 21.12 O ATOM 1231 CB GLN A 73 12.275 -3.549 2.579 1.00 62.35 C ATOM 1232 CG GLN A 73 11.564 -2.579 1.641 1.00 44.43 C ATOM 1233 CD GLN A 73 12.019 -2.712 0.193 1.00 32.12 C ATOM 1234 OE1 GLN A 73 13.176 -3.009 -0.087 1.00 15.23 O ATOM 1235 NE2 GLN A 73 11.107 -2.520 -0.738 1.00 35.23 N ATOM 0 H GLN A 73 10.070 -4.690 2.522 1.00 35.13 H new ATOM 0 HA GLN A 73 12.514 -5.140 1.149 1.00 33.14 H new ATOM 0 HB2 GLN A 73 11.883 -3.423 3.588 1.00 62.35 H new ATOM 0 HB3 GLN A 73 13.335 -3.299 2.616 1.00 62.35 H new ATOM 0 HG2 GLN A 73 10.489 -2.751 1.696 1.00 44.43 H new ATOM 0 HG3 GLN A 73 11.741 -1.558 1.980 1.00 44.43 H new ATOM 0 HE21 GLN A 73 10.153 -2.274 -0.474 1.00 35.23 H new ATOM 0 HE22 GLN A 73 11.355 -2.617 -1.723 1.00 35.23 H new