USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 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 K(o=0,f=-0.56) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc=-0.00783 (180deg=-0.115) USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.968 USER MOD Single : A 27 HIS : no HE2:sc= 0.912 K(o=0.91,f=-3.2!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 SER OG : rot 66:sc= 0.214 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 175:sc= -2.8 (180deg=-2.94) USER MOD Single : A 38 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.057 K(o=-0.057,f=-3.1!) USER MOD Single : A 41 CYS SG : rot -24:sc= -2.83! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0794 (180deg=-0.352) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.242 USER MOD Single : A 51 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+ 175:sc= 0 (180deg=-0.0476) USER MOD Single : A 58 THR OG1 : rot 169:sc= 0.829 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 69 TYR OH : rot -130:sc= -0.0633 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.589 6.424 -0.821 1.00 12.42 N ATOM 220 CA ILE A 15 10.493 6.067 -1.725 1.00 71.14 C ATOM 221 C ILE A 15 9.159 6.683 -1.268 1.00 24.13 C ATOM 222 O ILE A 15 8.752 6.526 -0.117 1.00 62.21 O ATOM 223 CB ILE A 15 10.354 4.526 -1.845 1.00 24.13 C ATOM 224 CG1 ILE A 15 11.590 3.947 -2.558 1.00 53.35 C ATOM 225 CG2 ILE A 15 9.070 4.137 -2.575 1.00 13.44 C ATOM 226 CD1 ILE A 15 11.479 2.479 -2.901 1.00 61.41 C ATOM 0 HA ILE A 15 10.737 6.476 -2.705 1.00 71.14 H new ATOM 0 HB ILE A 15 10.294 4.105 -0.841 1.00 24.13 H new ATOM 0 HG12 ILE A 15 11.763 4.510 -3.475 1.00 53.35 H new ATOM 0 HG13 ILE A 15 12.464 4.095 -1.923 1.00 53.35 H new ATOM 0 HG21 ILE A 15 9.004 3.051 -2.642 1.00 13.44 H new ATOM 0 HG22 ILE A 15 8.209 4.520 -2.026 1.00 13.44 H new ATOM 0 HG23 ILE A 15 9.079 4.562 -3.579 1.00 13.44 H new ATOM 0 HD11 ILE A 15 12.391 2.152 -3.400 1.00 61.41 H new ATOM 0 HD12 ILE A 15 11.339 1.901 -1.987 1.00 61.41 H new ATOM 0 HD13 ILE A 15 10.627 2.323 -3.563 1.00 61.41 H new ATOM 238 N THR A 16 8.487 7.385 -2.180 1.00 40.41 N ATOM 239 CA THR A 16 7.206 8.039 -1.871 1.00 53.10 C ATOM 240 C THR A 16 6.065 7.023 -1.765 1.00 73.03 C ATOM 241 O THR A 16 6.173 5.897 -2.251 1.00 31.34 O ATOM 242 CB THR A 16 6.815 9.080 -2.947 1.00 41.34 C ATOM 243 OG1 THR A 16 6.518 8.416 -4.186 1.00 60.22 O ATOM 244 CG2 THR A 16 7.931 10.097 -3.162 1.00 0.33 C ATOM 0 H THR A 16 8.805 7.518 -3.140 1.00 40.41 H new ATOM 0 HA THR A 16 7.351 8.538 -0.913 1.00 53.10 H new ATOM 0 HB THR A 16 5.931 9.612 -2.597 1.00 41.34 H new ATOM 0 HG1 THR A 16 6.270 9.081 -4.862 1.00 60.22 H new ATOM 0 HG21 THR A 16 7.627 10.815 -3.923 1.00 0.33 H new ATOM 0 HG22 THR A 16 8.130 10.621 -2.227 1.00 0.33 H new ATOM 0 HG23 THR A 16 8.834 9.582 -3.489 1.00 0.33 H new ATOM 252 N LEU A 17 4.961 7.441 -1.149 1.00 41.32 N ATOM 253 CA LEU A 17 3.777 6.584 -0.991 1.00 73.10 C ATOM 254 C LEU A 17 3.266 6.052 -2.347 1.00 62.44 C ATOM 255 O LEU A 17 2.767 4.929 -2.432 1.00 42.24 O ATOM 256 CB LEU A 17 2.665 7.365 -0.276 1.00 51.03 C ATOM 257 CG LEU A 17 1.376 6.577 0.014 1.00 11.43 C ATOM 258 CD1 LEU A 17 1.662 5.359 0.890 1.00 4.25 C ATOM 259 CD2 LEU A 17 0.333 7.482 0.662 1.00 73.44 C ATOM 0 H LEU A 17 4.857 8.373 -0.747 1.00 41.32 H new ATOM 0 HA LEU A 17 4.066 5.721 -0.390 1.00 73.10 H new ATOM 0 HB2 LEU A 17 3.060 7.740 0.668 1.00 51.03 H new ATOM 0 HB3 LEU A 17 2.409 8.234 -0.882 1.00 51.03 H new ATOM 0 HG LEU A 17 0.976 6.216 -0.934 1.00 11.43 H new ATOM 0 HD11 LEU A 17 0.733 4.821 1.079 1.00 4.25 H new ATOM 0 HD12 LEU A 17 2.365 4.701 0.380 1.00 4.25 H new ATOM 0 HD13 LEU A 17 2.092 5.685 1.837 1.00 4.25 H new ATOM 0 HD21 LEU A 17 -0.573 6.909 0.861 1.00 73.44 H new ATOM 0 HD22 LEU A 17 0.726 7.877 1.599 1.00 73.44 H new ATOM 0 HD23 LEU A 17 0.100 8.308 -0.010 1.00 73.44 H new ATOM 271 N GLN A 18 3.409 6.858 -3.401 1.00 45.44 N ATOM 272 CA GLN A 18 2.985 6.456 -4.751 1.00 15.23 C ATOM 273 C GLN A 18 3.817 5.265 -5.259 1.00 10.23 C ATOM 274 O GLN A 18 3.276 4.203 -5.587 1.00 30.34 O ATOM 275 CB GLN A 18 3.116 7.641 -5.723 1.00 34.12 C ATOM 276 CG GLN A 18 2.676 7.320 -7.150 1.00 10.13 C ATOM 277 CD GLN A 18 2.870 8.482 -8.114 1.00 23.20 C ATOM 278 OE1 GLN A 18 3.777 9.294 -7.961 1.00 64.22 O ATOM 279 NE2 GLN A 18 2.035 8.556 -9.128 1.00 41.21 N ATOM 0 H GLN A 18 3.814 7.793 -3.350 1.00 45.44 H new ATOM 0 HA GLN A 18 1.941 6.148 -4.700 1.00 15.23 H new ATOM 0 HB2 GLN A 18 2.521 8.474 -5.348 1.00 34.12 H new ATOM 0 HB3 GLN A 18 4.154 7.973 -5.739 1.00 34.12 H new ATOM 0 HG2 GLN A 18 3.238 6.459 -7.511 1.00 10.13 H new ATOM 0 HG3 GLN A 18 1.624 7.034 -7.143 1.00 10.13 H new ATOM 0 HE21 GLN A 18 1.291 7.865 -9.227 1.00 41.21 H new ATOM 0 HE22 GLN A 18 2.132 9.304 -9.815 1.00 41.21 H new ATOM 288 N LYS A 19 5.136 5.451 -5.315 1.00 35.13 N ATOM 289 CA LYS A 19 6.065 4.389 -5.726 1.00 54.21 C ATOM 290 C LYS A 19 5.916 3.154 -4.819 1.00 61.44 C ATOM 291 O LYS A 19 5.885 2.015 -5.290 1.00 0.22 O ATOM 292 CB LYS A 19 7.507 4.918 -5.656 1.00 25.35 C ATOM 293 CG LYS A 19 8.572 3.939 -6.157 1.00 72.13 C ATOM 294 CD LYS A 19 8.564 3.809 -7.676 1.00 1.24 C ATOM 295 CE LYS A 19 8.831 5.148 -8.358 1.00 55.14 C ATOM 296 NZ LYS A 19 10.137 5.737 -7.962 1.00 62.13 N ATOM 0 H LYS A 19 5.591 6.333 -5.080 1.00 35.13 H new ATOM 0 HA LYS A 19 5.831 4.093 -6.749 1.00 54.21 H new ATOM 0 HB2 LYS A 19 7.572 5.835 -6.241 1.00 25.35 H new ATOM 0 HB3 LYS A 19 7.733 5.182 -4.623 1.00 25.35 H new ATOM 0 HG2 LYS A 19 9.555 4.274 -5.828 1.00 72.13 H new ATOM 0 HG3 LYS A 19 8.403 2.960 -5.709 1.00 72.13 H new ATOM 0 HD2 LYS A 19 9.320 3.087 -7.984 1.00 1.24 H new ATOM 0 HD3 LYS A 19 7.600 3.420 -8.003 1.00 1.24 H new ATOM 0 HE2 LYS A 19 8.810 5.012 -9.439 1.00 55.14 H new ATOM 0 HE3 LYS A 19 8.031 5.845 -8.109 1.00 55.14 H new ATOM 0 HZ1 LYS A 19 10.342 6.562 -8.561 1.00 62.13 H new ATOM 0 HZ2 LYS A 19 10.096 6.034 -6.966 1.00 62.13 H new ATOM 0 HZ3 LYS A 19 10.888 5.028 -8.082 1.00 62.13 H new ATOM 310 N LEU A 20 5.812 3.411 -3.518 1.00 44.13 N ATOM 311 CA LEU A 20 5.645 2.364 -2.504 1.00 21.14 C ATOM 312 C LEU A 20 4.412 1.488 -2.796 1.00 20.02 C ATOM 313 O LEU A 20 4.516 0.262 -2.902 1.00 24.31 O ATOM 314 CB LEU A 20 5.544 3.032 -1.116 1.00 43.44 C ATOM 315 CG LEU A 20 5.455 2.092 0.105 1.00 45.31 C ATOM 316 CD1 LEU A 20 6.049 2.766 1.339 1.00 32.34 C ATOM 317 CD2 LEU A 20 4.009 1.678 0.385 1.00 30.23 C ATOM 0 H LEU A 20 5.841 4.355 -3.132 1.00 44.13 H new ATOM 0 HA LEU A 20 6.509 1.700 -2.525 1.00 21.14 H new ATOM 0 HB2 LEU A 20 6.413 3.677 -0.985 1.00 43.44 H new ATOM 0 HB3 LEU A 20 4.665 3.677 -1.113 1.00 43.44 H new ATOM 0 HG LEU A 20 6.029 1.194 -0.126 1.00 45.31 H new ATOM 0 HD11 LEU A 20 5.979 2.091 2.192 1.00 32.34 H new ATOM 0 HD12 LEU A 20 7.095 3.008 1.153 1.00 32.34 H new ATOM 0 HD13 LEU A 20 5.498 3.681 1.555 1.00 32.34 H new ATOM 0 HD21 LEU A 20 3.981 1.016 1.251 1.00 30.23 H new ATOM 0 HD22 LEU A 20 3.409 2.565 0.587 1.00 30.23 H new ATOM 0 HD23 LEU A 20 3.605 1.157 -0.483 1.00 30.23 H new ATOM 329 N LEU A 21 3.251 2.127 -2.939 1.00 23.03 N ATOM 330 CA LEU A 21 2.002 1.412 -3.230 1.00 53.23 C ATOM 331 C LEU A 21 2.108 0.621 -4.546 1.00 5.22 C ATOM 332 O LEU A 21 1.648 -0.519 -4.640 1.00 32.12 O ATOM 333 CB LEU A 21 0.834 2.408 -3.302 1.00 32.43 C ATOM 334 CG LEU A 21 -0.551 1.790 -3.555 1.00 2.41 C ATOM 335 CD1 LEU A 21 -0.939 0.841 -2.422 1.00 41.24 C ATOM 336 CD2 LEU A 21 -1.603 2.885 -3.732 1.00 45.11 C ATOM 0 H LEU A 21 3.146 3.138 -2.859 1.00 23.03 H new ATOM 0 HA LEU A 21 1.819 0.701 -2.424 1.00 53.23 H new ATOM 0 HB2 LEU A 21 0.798 2.966 -2.366 1.00 32.43 H new ATOM 0 HB3 LEU A 21 1.041 3.127 -4.094 1.00 32.43 H new ATOM 0 HG LEU A 21 -0.503 1.210 -4.477 1.00 2.41 H new ATOM 0 HD11 LEU A 21 -1.922 0.416 -2.624 1.00 41.24 H new ATOM 0 HD12 LEU A 21 -0.205 0.039 -2.352 1.00 41.24 H new ATOM 0 HD13 LEU A 21 -0.967 1.390 -1.481 1.00 41.24 H new ATOM 0 HD21 LEU A 21 -2.577 2.429 -3.910 1.00 45.11 H new ATOM 0 HD22 LEU A 21 -1.648 3.496 -2.830 1.00 45.11 H new ATOM 0 HD23 LEU A 21 -1.335 3.513 -4.582 1.00 45.11 H new ATOM 348 N THR A 22 2.735 1.232 -5.554 1.00 54.44 N ATOM 349 CA THR A 22 2.910 0.595 -6.872 1.00 44.35 C ATOM 350 C THR A 22 3.619 -0.767 -6.757 1.00 42.13 C ATOM 351 O THR A 22 3.101 -1.791 -7.208 1.00 72.01 O ATOM 352 CB THR A 22 3.712 1.500 -7.850 1.00 52.32 C ATOM 353 OG1 THR A 22 3.052 2.767 -8.019 1.00 71.13 O ATOM 354 CG2 THR A 22 3.876 0.836 -9.216 1.00 2.12 C ATOM 0 H THR A 22 3.133 2.169 -5.487 1.00 54.44 H new ATOM 0 HA THR A 22 1.907 0.444 -7.270 1.00 44.35 H new ATOM 0 HB THR A 22 4.699 1.655 -7.414 1.00 52.32 H new ATOM 0 HG1 THR A 22 3.129 3.289 -7.193 1.00 71.13 H new ATOM 0 HG21 THR A 22 4.441 1.495 -9.875 1.00 2.12 H new ATOM 0 HG22 THR A 22 4.411 -0.107 -9.100 1.00 2.12 H new ATOM 0 HG23 THR A 22 2.894 0.645 -9.648 1.00 2.12 H new ATOM 362 N GLU A 23 4.796 -0.775 -6.133 1.00 54.13 N ATOM 363 CA GLU A 23 5.578 -2.009 -5.970 1.00 35.20 C ATOM 364 C GLU A 23 4.841 -3.055 -5.117 1.00 34.43 C ATOM 365 O GLU A 23 5.053 -4.260 -5.281 1.00 11.11 O ATOM 366 CB GLU A 23 6.950 -1.704 -5.355 1.00 14.43 C ATOM 367 CG GLU A 23 7.883 -0.936 -6.288 1.00 1.55 C ATOM 368 CD GLU A 23 9.253 -0.685 -5.674 1.00 42.32 C ATOM 369 OE1 GLU A 23 10.027 -1.654 -5.514 1.00 22.11 O ATOM 370 OE2 GLU A 23 9.557 0.481 -5.342 1.00 40.45 O ATOM 0 H GLU A 23 5.232 0.055 -5.731 1.00 54.13 H new ATOM 0 HA GLU A 23 5.716 -2.431 -6.965 1.00 35.20 H new ATOM 0 HB2 GLU A 23 6.809 -1.127 -4.441 1.00 14.43 H new ATOM 0 HB3 GLU A 23 7.427 -2.642 -5.069 1.00 14.43 H new ATOM 0 HG2 GLU A 23 8.002 -1.495 -7.216 1.00 1.55 H new ATOM 0 HG3 GLU A 23 7.425 0.019 -6.547 1.00 1.55 H new ATOM 377 N LEU A 24 3.983 -2.602 -4.202 1.00 72.41 N ATOM 378 CA LEU A 24 3.165 -3.522 -3.399 1.00 71.21 C ATOM 379 C LEU A 24 2.113 -4.234 -4.262 1.00 74.11 C ATOM 380 O LEU A 24 1.833 -5.417 -4.065 1.00 73.05 O ATOM 381 CB LEU A 24 2.475 -2.780 -2.246 1.00 42.00 C ATOM 382 CG LEU A 24 3.417 -2.262 -1.148 1.00 34.11 C ATOM 383 CD1 LEU A 24 2.624 -1.582 -0.034 1.00 4.33 C ATOM 384 CD2 LEU A 24 4.276 -3.399 -0.590 1.00 24.20 C ATOM 0 H LEU A 24 3.834 -1.614 -3.997 1.00 72.41 H new ATOM 0 HA LEU A 24 3.837 -4.273 -2.984 1.00 71.21 H new ATOM 0 HB2 LEU A 24 1.922 -1.935 -2.657 1.00 42.00 H new ATOM 0 HB3 LEU A 24 1.744 -3.448 -1.791 1.00 42.00 H new ATOM 0 HG LEU A 24 4.083 -1.521 -1.591 1.00 34.11 H new ATOM 0 HD11 LEU A 24 3.310 -1.222 0.733 1.00 4.33 H new ATOM 0 HD12 LEU A 24 2.067 -0.741 -0.446 1.00 4.33 H new ATOM 0 HD13 LEU A 24 1.929 -2.297 0.407 1.00 4.33 H new ATOM 0 HD21 LEU A 24 4.935 -3.010 0.186 1.00 24.20 H new ATOM 0 HD22 LEU A 24 3.631 -4.168 -0.166 1.00 24.20 H new ATOM 0 HD23 LEU A 24 4.875 -3.830 -1.392 1.00 24.20 H new ATOM 396 N VAL A 25 1.536 -3.509 -5.216 1.00 71.25 N ATOM 397 CA VAL A 25 0.565 -4.092 -6.151 1.00 12.34 C ATOM 398 C VAL A 25 1.245 -5.089 -7.108 1.00 55.31 C ATOM 399 O VAL A 25 0.640 -6.069 -7.544 1.00 71.12 O ATOM 400 CB VAL A 25 -0.153 -2.989 -6.972 1.00 22.22 C ATOM 401 CG1 VAL A 25 -1.187 -3.594 -7.921 1.00 1.42 C ATOM 402 CG2 VAL A 25 -0.802 -1.962 -6.042 1.00 75.15 C ATOM 0 H VAL A 25 1.720 -2.517 -5.366 1.00 71.25 H new ATOM 0 HA VAL A 25 -0.176 -4.626 -5.556 1.00 12.34 H new ATOM 0 HB VAL A 25 0.595 -2.478 -7.578 1.00 22.22 H new ATOM 0 HG11 VAL A 25 -1.675 -2.798 -8.483 1.00 1.42 H new ATOM 0 HG12 VAL A 25 -0.691 -4.276 -8.612 1.00 1.42 H new ATOM 0 HG13 VAL A 25 -1.934 -4.141 -7.345 1.00 1.42 H new ATOM 0 HG21 VAL A 25 -1.301 -1.197 -6.637 1.00 75.15 H new ATOM 0 HG22 VAL A 25 -1.533 -2.459 -5.404 1.00 75.15 H new ATOM 0 HG23 VAL A 25 -0.036 -1.497 -5.422 1.00 75.15 H new ATOM 412 N GLU A 26 2.509 -4.827 -7.425 1.00 53.04 N ATOM 413 CA GLU A 26 3.298 -5.711 -8.296 1.00 43.24 C ATOM 414 C GLU A 26 3.763 -6.986 -7.567 1.00 1.34 C ATOM 415 O GLU A 26 3.645 -8.093 -8.096 1.00 1.30 O ATOM 416 CB GLU A 26 4.512 -4.946 -8.838 1.00 1.14 C ATOM 417 CG GLU A 26 4.152 -3.790 -9.768 1.00 11.32 C ATOM 418 CD GLU A 26 3.648 -4.259 -11.125 1.00 22.05 C ATOM 419 OE1 GLU A 26 2.465 -4.644 -11.236 1.00 23.13 O ATOM 420 OE2 GLU A 26 4.437 -4.241 -12.094 1.00 44.33 O ATOM 0 H GLU A 26 3.017 -4.007 -7.093 1.00 53.04 H new ATOM 0 HA GLU A 26 2.655 -6.025 -9.118 1.00 43.24 H new ATOM 0 HB2 GLU A 26 5.088 -4.558 -7.998 1.00 1.14 H new ATOM 0 HB3 GLU A 26 5.158 -5.642 -9.373 1.00 1.14 H new ATOM 0 HG2 GLU A 26 3.387 -3.174 -9.295 1.00 11.32 H new ATOM 0 HG3 GLU A 26 5.028 -3.158 -9.910 1.00 11.32 H new ATOM 427 N HIS A 27 4.293 -6.823 -6.354 1.00 24.32 N ATOM 428 CA HIS A 27 4.819 -7.957 -5.572 1.00 63.54 C ATOM 429 C HIS A 27 3.705 -8.739 -4.844 1.00 3.31 C ATOM 430 O HIS A 27 3.722 -9.972 -4.813 1.00 11.52 O ATOM 431 CB HIS A 27 5.863 -7.462 -4.556 1.00 30.41 C ATOM 432 CG HIS A 27 7.159 -7.020 -5.176 1.00 11.24 C ATOM 433 ND1 HIS A 27 7.434 -5.706 -5.497 1.00 22.13 N ATOM 434 CD2 HIS A 27 8.268 -7.722 -5.515 1.00 22.53 C ATOM 435 CE1 HIS A 27 8.648 -5.622 -6.005 1.00 32.50 C ATOM 436 NE2 HIS A 27 9.176 -6.829 -6.027 1.00 53.23 N ATOM 0 H HIS A 27 4.372 -5.920 -5.887 1.00 24.32 H new ATOM 0 HA HIS A 27 5.288 -8.642 -6.278 1.00 63.54 H new ATOM 0 HB2 HIS A 27 5.440 -6.631 -3.992 1.00 30.41 H new ATOM 0 HB3 HIS A 27 6.067 -8.260 -3.842 1.00 30.41 H new ATOM 0 HD1 HIS A 27 6.797 -4.921 -5.362 1.00 22.13 H new ATOM 0 HD2 HIS A 27 8.411 -8.787 -5.403 1.00 22.53 H new ATOM 0 HE1 HIS A 27 9.128 -4.717 -6.346 1.00 32.50 H new ATOM 445 N TYR A 28 2.753 -8.024 -4.246 1.00 20.24 N ATOM 446 CA TYR A 28 1.648 -8.662 -3.511 1.00 34.43 C ATOM 447 C TYR A 28 0.344 -8.664 -4.332 1.00 32.44 C ATOM 448 O TYR A 28 -0.211 -9.724 -4.635 1.00 24.22 O ATOM 449 CB TYR A 28 1.412 -7.945 -2.172 1.00 5.12 C ATOM 450 CG TYR A 28 2.579 -8.021 -1.206 1.00 43.01 C ATOM 451 CD1 TYR A 28 2.693 -9.076 -0.305 1.00 10.33 C ATOM 452 CD2 TYR A 28 3.560 -7.034 -1.186 1.00 32.42 C ATOM 453 CE1 TYR A 28 3.748 -9.147 0.584 1.00 63.33 C ATOM 454 CE2 TYR A 28 4.615 -7.099 -0.299 1.00 24.52 C ATOM 455 CZ TYR A 28 4.707 -8.156 0.583 1.00 41.34 C ATOM 456 OH TYR A 28 5.761 -8.215 1.471 1.00 70.14 O ATOM 0 H TYR A 28 2.720 -7.005 -4.253 1.00 20.24 H new ATOM 0 HA TYR A 28 1.935 -9.697 -3.326 1.00 34.43 H new ATOM 0 HB2 TYR A 28 1.188 -6.897 -2.370 1.00 5.12 H new ATOM 0 HB3 TYR A 28 0.532 -8.375 -1.694 1.00 5.12 H new ATOM 0 HD1 TYR A 28 1.943 -9.853 -0.301 1.00 10.33 H new ATOM 0 HD2 TYR A 28 3.495 -6.205 -1.875 1.00 32.42 H new ATOM 0 HE1 TYR A 28 3.821 -9.973 1.275 1.00 63.33 H new ATOM 0 HE2 TYR A 28 5.367 -6.324 -0.295 1.00 24.52 H new ATOM 0 HH TYR A 28 5.968 -9.152 1.672 1.00 70.14 H new ATOM 466 N GLY A 29 -0.141 -7.470 -4.678 1.00 54.43 N ATOM 467 CA GLY A 29 -1.403 -7.344 -5.412 1.00 53.10 C ATOM 468 C GLY A 29 -2.556 -6.857 -4.534 1.00 54.11 C ATOM 469 O GLY A 29 -2.554 -7.068 -3.318 1.00 53.25 O ATOM 0 H GLY A 29 0.316 -6.583 -4.464 1.00 54.43 H new ATOM 0 HA2 GLY A 29 -1.267 -6.651 -6.242 1.00 53.10 H new ATOM 0 HA3 GLY A 29 -1.665 -8.310 -5.843 1.00 53.10 H new ATOM 473 N TRP A 30 -3.552 -6.219 -5.156 1.00 65.25 N ATOM 474 CA TRP A 30 -4.709 -5.671 -4.425 1.00 33.40 C ATOM 475 C TRP A 30 -5.409 -6.745 -3.576 1.00 54.32 C ATOM 476 O TRP A 30 -5.732 -6.520 -2.408 1.00 24.32 O ATOM 477 CB TRP A 30 -5.727 -5.062 -5.400 1.00 50.31 C ATOM 478 CG TRP A 30 -5.194 -3.913 -6.206 1.00 12.42 C ATOM 479 CD1 TRP A 30 -4.850 -3.925 -7.529 1.00 44.24 C ATOM 480 CD2 TRP A 30 -4.949 -2.580 -5.740 1.00 55.21 C ATOM 481 NE1 TRP A 30 -4.411 -2.683 -7.911 1.00 24.33 N ATOM 482 CE2 TRP A 30 -4.460 -1.842 -6.834 1.00 42.24 C ATOM 483 CE3 TRP A 30 -5.094 -1.939 -4.505 1.00 72.25 C ATOM 484 CZ2 TRP A 30 -4.119 -0.497 -6.730 1.00 44.05 C ATOM 485 CZ3 TRP A 30 -4.755 -0.603 -4.404 1.00 52.24 C ATOM 486 CH2 TRP A 30 -4.272 0.105 -5.511 1.00 54.21 C ATOM 0 H TRP A 30 -3.584 -6.067 -6.164 1.00 65.25 H new ATOM 0 HA TRP A 30 -4.326 -4.897 -3.760 1.00 33.40 H new ATOM 0 HB2 TRP A 30 -6.072 -5.840 -6.081 1.00 50.31 H new ATOM 0 HB3 TRP A 30 -6.596 -4.724 -4.836 1.00 50.31 H new ATOM 0 HD1 TRP A 30 -4.914 -4.786 -8.178 1.00 44.24 H new ATOM 0 HE1 TRP A 30 -4.098 -2.428 -8.848 1.00 24.33 H new ATOM 0 HE3 TRP A 30 -5.464 -2.479 -3.646 1.00 72.25 H new ATOM 0 HZ2 TRP A 30 -3.747 0.053 -7.582 1.00 44.05 H new ATOM 0 HZ3 TRP A 30 -4.864 -0.097 -3.456 1.00 52.24 H new ATOM 0 HH2 TRP A 30 -4.015 1.148 -5.400 1.00 54.21 H new ATOM 497 N GLU A 31 -5.620 -7.917 -4.173 1.00 52.04 N ATOM 498 CA GLU A 31 -6.331 -9.022 -3.518 1.00 1.10 C ATOM 499 C GLU A 31 -5.525 -9.644 -2.363 1.00 32.13 C ATOM 500 O GLU A 31 -6.004 -10.542 -1.673 1.00 72.04 O ATOM 501 CB GLU A 31 -6.697 -10.081 -4.560 1.00 71.14 C ATOM 502 CG GLU A 31 -7.684 -9.566 -5.607 1.00 63.30 C ATOM 503 CD GLU A 31 -7.914 -10.537 -6.754 1.00 24.12 C ATOM 504 OE1 GLU A 31 -7.024 -10.659 -7.620 1.00 60.01 O ATOM 505 OE2 GLU A 31 -8.991 -11.171 -6.803 1.00 51.31 O ATOM 0 H GLU A 31 -5.306 -8.130 -5.120 1.00 52.04 H new ATOM 0 HA GLU A 31 -7.239 -8.616 -3.073 1.00 1.10 H new ATOM 0 HB2 GLU A 31 -5.790 -10.422 -5.059 1.00 71.14 H new ATOM 0 HB3 GLU A 31 -7.128 -10.946 -4.056 1.00 71.14 H new ATOM 0 HG2 GLU A 31 -8.638 -9.356 -5.123 1.00 63.30 H new ATOM 0 HG3 GLU A 31 -7.315 -8.622 -6.009 1.00 63.30 H new ATOM 512 N GLU A 32 -4.292 -9.184 -2.182 1.00 2.11 N ATOM 513 CA GLU A 32 -3.503 -9.506 -0.985 1.00 24.14 C ATOM 514 C GLU A 32 -3.580 -8.357 0.031 1.00 24.51 C ATOM 515 O GLU A 32 -3.699 -8.575 1.241 1.00 42.11 O ATOM 516 CB GLU A 32 -2.035 -9.765 -1.353 1.00 54.13 C ATOM 517 CG GLU A 32 -1.799 -11.072 -2.103 1.00 21.33 C ATOM 518 CD GLU A 32 -2.133 -12.296 -1.264 1.00 23.04 C ATOM 519 OE1 GLU A 32 -1.504 -12.480 -0.200 1.00 45.32 O ATOM 520 OE2 GLU A 32 -3.026 -13.076 -1.658 1.00 64.04 O ATOM 0 H GLU A 32 -3.810 -8.583 -2.850 1.00 2.11 H new ATOM 0 HA GLU A 32 -3.920 -10.410 -0.541 1.00 24.14 H new ATOM 0 HB2 GLU A 32 -1.674 -8.938 -1.965 1.00 54.13 H new ATOM 0 HB3 GLU A 32 -1.439 -9.770 -0.440 1.00 54.13 H new ATOM 0 HG2 GLU A 32 -2.404 -11.081 -3.009 1.00 21.33 H new ATOM 0 HG3 GLU A 32 -0.756 -11.124 -2.416 1.00 21.33 H new ATOM 527 N LEU A 33 -3.520 -7.128 -0.478 1.00 22.34 N ATOM 528 CA LEU A 33 -3.581 -5.931 0.363 1.00 23.04 C ATOM 529 C LEU A 33 -4.914 -5.849 1.126 1.00 24.42 C ATOM 530 O LEU A 33 -4.951 -5.408 2.271 1.00 22.34 O ATOM 531 CB LEU A 33 -3.387 -4.669 -0.496 1.00 21.12 C ATOM 532 CG LEU A 33 -2.050 -4.583 -1.257 1.00 70.44 C ATOM 533 CD1 LEU A 33 -2.021 -3.347 -2.159 1.00 3.51 C ATOM 534 CD2 LEU A 33 -0.870 -4.567 -0.282 1.00 73.22 C ATOM 0 H LEU A 33 -3.429 -6.933 -1.475 1.00 22.34 H new ATOM 0 HA LEU A 33 -2.777 -5.995 1.096 1.00 23.04 H new ATOM 0 HB2 LEU A 33 -4.201 -4.614 -1.219 1.00 21.12 H new ATOM 0 HB3 LEU A 33 -3.475 -3.795 0.149 1.00 21.12 H new ATOM 0 HG LEU A 33 -1.959 -5.469 -1.886 1.00 70.44 H new ATOM 0 HD11 LEU A 33 -1.069 -3.305 -2.688 1.00 3.51 H new ATOM 0 HD12 LEU A 33 -2.835 -3.405 -2.882 1.00 3.51 H new ATOM 0 HD13 LEU A 33 -2.139 -2.450 -1.551 1.00 3.51 H new ATOM 0 HD21 LEU A 33 0.063 -4.506 -0.841 1.00 73.22 H new ATOM 0 HD22 LEU A 33 -0.955 -3.703 0.378 1.00 73.22 H new ATOM 0 HD23 LEU A 33 -0.877 -5.480 0.313 1.00 73.22 H new ATOM 546 N SER A 34 -5.998 -6.294 0.488 1.00 70.32 N ATOM 547 CA SER A 34 -7.341 -6.262 1.100 1.00 2.54 C ATOM 548 C SER A 34 -7.464 -7.217 2.299 1.00 70.14 C ATOM 549 O SER A 34 -8.390 -7.100 3.103 1.00 0.51 O ATOM 550 CB SER A 34 -8.412 -6.615 0.059 1.00 65.33 C ATOM 551 OG SER A 34 -8.225 -7.926 -0.446 1.00 24.13 O ATOM 0 H SER A 34 -5.979 -6.683 -0.455 1.00 70.32 H new ATOM 0 HA SER A 34 -7.495 -5.246 1.464 1.00 2.54 H new ATOM 0 HB2 SER A 34 -9.401 -6.534 0.510 1.00 65.33 H new ATOM 0 HB3 SER A 34 -8.376 -5.898 -0.761 1.00 65.33 H new ATOM 0 HG SER A 34 -8.371 -8.577 0.272 1.00 24.13 H new ATOM 557 N TYR A 35 -6.547 -8.179 2.402 1.00 64.31 N ATOM 558 CA TYR A 35 -6.521 -9.106 3.544 1.00 23.23 C ATOM 559 C TYR A 35 -5.589 -8.590 4.645 1.00 64.33 C ATOM 560 O TYR A 35 -5.901 -8.683 5.835 1.00 20.11 O ATOM 561 CB TYR A 35 -6.079 -10.501 3.095 1.00 52.43 C ATOM 562 CG TYR A 35 -7.089 -11.204 2.212 1.00 62.44 C ATOM 563 CD1 TYR A 35 -7.349 -10.746 0.928 1.00 33.42 C ATOM 564 CD2 TYR A 35 -7.782 -12.321 2.662 1.00 32.24 C ATOM 565 CE1 TYR A 35 -8.268 -11.380 0.115 1.00 22.42 C ATOM 566 CE2 TYR A 35 -8.703 -12.963 1.854 1.00 54.21 C ATOM 567 CZ TYR A 35 -8.942 -12.488 0.581 1.00 34.54 C ATOM 568 OH TYR A 35 -9.861 -13.122 -0.229 1.00 53.42 O ATOM 0 H TYR A 35 -5.812 -8.340 1.713 1.00 64.31 H new ATOM 0 HA TYR A 35 -7.532 -9.170 3.947 1.00 23.23 H new ATOM 0 HB2 TYR A 35 -5.135 -10.418 2.557 1.00 52.43 H new ATOM 0 HB3 TYR A 35 -5.891 -11.114 3.976 1.00 52.43 H new ATOM 0 HD1 TYR A 35 -6.823 -9.878 0.558 1.00 33.42 H new ATOM 0 HD2 TYR A 35 -7.599 -12.694 3.659 1.00 32.24 H new ATOM 0 HE1 TYR A 35 -8.458 -11.009 -0.881 1.00 22.42 H new ATOM 0 HE2 TYR A 35 -9.232 -13.831 2.218 1.00 54.21 H new ATOM 0 HH TYR A 35 -10.246 -13.886 0.249 1.00 53.42 H new ATOM 578 N MET A 36 -4.438 -8.057 4.245 1.00 30.31 N ATOM 579 CA MET A 36 -3.492 -7.465 5.198 1.00 41.20 C ATOM 580 C MET A 36 -4.032 -6.133 5.749 1.00 70.22 C ATOM 581 O MET A 36 -4.272 -5.998 6.950 1.00 43.31 O ATOM 582 CB MET A 36 -2.119 -7.275 4.541 1.00 44.24 C ATOM 583 CG MET A 36 -1.452 -8.588 4.148 1.00 33.41 C ATOM 584 SD MET A 36 0.126 -8.347 3.305 1.00 32.31 S ATOM 585 CE MET A 36 -0.408 -7.585 1.775 1.00 53.43 C ATOM 0 H MET A 36 -4.135 -8.021 3.272 1.00 30.31 H new ATOM 0 HA MET A 36 -3.375 -8.149 6.038 1.00 41.20 H new ATOM 0 HB2 MET A 36 -2.232 -6.653 3.653 1.00 44.24 H new ATOM 0 HB3 MET A 36 -1.467 -6.735 5.228 1.00 44.24 H new ATOM 0 HG2 MET A 36 -1.293 -9.191 5.042 1.00 33.41 H new ATOM 0 HG3 MET A 36 -2.123 -9.151 3.499 1.00 33.41 H new ATOM 0 HE1 MET A 36 0.464 -7.297 1.188 1.00 53.43 H new ATOM 0 HE2 MET A 36 -1.010 -8.294 1.206 1.00 53.43 H new ATOM 0 HE3 MET A 36 -1.004 -6.700 1.998 1.00 53.43 H new ATOM 595 N VAL A 37 -4.227 -5.152 4.869 1.00 22.05 N ATOM 596 CA VAL A 37 -4.895 -3.900 5.242 1.00 24.42 C ATOM 597 C VAL A 37 -6.369 -3.958 4.815 1.00 53.25 C ATOM 598 O VAL A 37 -6.745 -3.483 3.741 1.00 31.04 O ATOM 599 CB VAL A 37 -4.211 -2.664 4.601 1.00 52.33 C ATOM 600 CG1 VAL A 37 -4.862 -1.364 5.073 1.00 62.04 C ATOM 601 CG2 VAL A 37 -2.715 -2.660 4.902 1.00 61.51 C ATOM 0 H VAL A 37 -3.933 -5.197 3.893 1.00 22.05 H new ATOM 0 HA VAL A 37 -4.822 -3.792 6.324 1.00 24.42 H new ATOM 0 HB VAL A 37 -4.344 -2.730 3.521 1.00 52.33 H new ATOM 0 HG11 VAL A 37 -4.361 -0.516 4.607 1.00 62.04 H new ATOM 0 HG12 VAL A 37 -5.915 -1.362 4.793 1.00 62.04 H new ATOM 0 HG13 VAL A 37 -4.775 -1.286 6.157 1.00 62.04 H new ATOM 0 HG21 VAL A 37 -2.254 -1.785 4.444 1.00 61.51 H new ATOM 0 HG22 VAL A 37 -2.561 -2.628 5.981 1.00 61.51 H new ATOM 0 HG23 VAL A 37 -2.260 -3.564 4.497 1.00 61.51 H new ATOM 611 N ASN A 38 -7.193 -4.583 5.649 1.00 4.41 N ATOM 612 CA ASN A 38 -8.587 -4.849 5.296 1.00 34.32 C ATOM 613 C ASN A 38 -9.440 -3.573 5.303 1.00 14.35 C ATOM 614 O ASN A 38 -10.012 -3.190 6.324 1.00 14.34 O ATOM 615 CB ASN A 38 -9.174 -5.909 6.234 1.00 73.13 C ATOM 616 CG ASN A 38 -10.576 -6.330 5.835 1.00 3.23 C ATOM 617 OD1 ASN A 38 -11.567 -5.821 6.348 1.00 63.24 O ATOM 618 ND2 ASN A 38 -10.672 -7.244 4.894 1.00 72.22 N ATOM 0 H ASN A 38 -6.922 -4.916 6.574 1.00 4.41 H new ATOM 0 HA ASN A 38 -8.604 -5.231 4.275 1.00 34.32 H new ATOM 0 HB2 ASN A 38 -8.524 -6.784 6.240 1.00 73.13 H new ATOM 0 HB3 ASN A 38 -9.192 -5.519 7.252 1.00 73.13 H new ATOM 0 HD21 ASN A 38 -11.590 -7.549 4.571 1.00 72.22 H new ATOM 0 HD22 ASN A 38 -9.828 -7.648 4.487 1.00 72.22 H new ATOM 625 N ILE A 39 -9.485 -2.907 4.153 1.00 71.24 N ATOM 626 CA ILE A 39 -10.335 -1.728 3.952 1.00 72.51 C ATOM 627 C ILE A 39 -11.066 -1.811 2.602 1.00 42.32 C ATOM 628 O ILE A 39 -10.523 -2.321 1.620 1.00 55.53 O ATOM 629 CB ILE A 39 -9.514 -0.408 4.011 1.00 5.23 C ATOM 630 CG1 ILE A 39 -8.305 -0.485 3.061 1.00 22.25 C ATOM 631 CG2 ILE A 39 -9.063 -0.117 5.440 1.00 51.02 C ATOM 632 CD1 ILE A 39 -7.463 0.775 3.011 1.00 52.25 C ATOM 0 H ILE A 39 -8.936 -3.165 3.333 1.00 71.24 H new ATOM 0 HA ILE A 39 -11.063 -1.718 4.763 1.00 72.51 H new ATOM 0 HB ILE A 39 -10.154 0.412 3.685 1.00 5.23 H new ATOM 0 HG12 ILE A 39 -7.672 -1.318 3.366 1.00 22.25 H new ATOM 0 HG13 ILE A 39 -8.663 -0.708 2.056 1.00 22.25 H new ATOM 0 HG21 ILE A 39 -8.490 0.810 5.459 1.00 51.02 H new ATOM 0 HG22 ILE A 39 -9.937 -0.017 6.084 1.00 51.02 H new ATOM 0 HG23 ILE A 39 -8.439 -0.936 5.799 1.00 51.02 H new ATOM 0 HD11 ILE A 39 -6.634 0.632 2.318 1.00 52.25 H new ATOM 0 HD12 ILE A 39 -8.077 1.610 2.674 1.00 52.25 H new ATOM 0 HD13 ILE A 39 -7.071 0.990 4.005 1.00 52.25 H new ATOM 644 N ASN A 40 -12.289 -1.291 2.552 1.00 62.50 N ATOM 645 CA ASN A 40 -13.115 -1.350 1.339 1.00 12.25 C ATOM 646 C ASN A 40 -12.475 -0.583 0.165 1.00 53.14 C ATOM 647 O ASN A 40 -12.891 -0.731 -0.979 1.00 61.43 O ATOM 648 CB ASN A 40 -14.514 -0.798 1.641 1.00 11.34 C ATOM 649 CG ASN A 40 -15.479 -0.917 0.473 1.00 23.24 C ATOM 650 OD1 ASN A 40 -15.389 -1.833 -0.340 1.00 50.40 O ATOM 651 ND2 ASN A 40 -16.410 0.008 0.379 1.00 12.25 N ATOM 0 H ASN A 40 -12.736 -0.821 3.339 1.00 62.50 H new ATOM 0 HA ASN A 40 -13.191 -2.394 1.035 1.00 12.25 H new ATOM 0 HB2 ASN A 40 -14.928 -1.328 2.499 1.00 11.34 H new ATOM 0 HB3 ASN A 40 -14.428 0.251 1.926 1.00 11.34 H new ATOM 0 HD21 ASN A 40 -17.084 -0.023 -0.386 1.00 12.25 H new ATOM 0 HD22 ASN A 40 -16.458 0.756 1.071 1.00 12.25 H new ATOM 658 N CYS A 41 -11.452 0.221 0.450 1.00 21.42 N ATOM 659 CA CYS A 41 -10.767 1.005 -0.592 1.00 23.31 C ATOM 660 C CYS A 41 -10.072 0.107 -1.632 1.00 61.21 C ATOM 661 O CYS A 41 -9.768 0.551 -2.737 1.00 1.33 O ATOM 662 CB CYS A 41 -9.739 1.952 0.036 1.00 50.02 C ATOM 663 SG CYS A 41 -8.853 2.979 -1.162 1.00 15.23 S ATOM 0 H CYS A 41 -11.076 0.351 1.389 1.00 21.42 H new ATOM 0 HA CYS A 41 -11.533 1.585 -1.107 1.00 23.31 H new ATOM 0 HB2 CYS A 41 -10.247 2.601 0.750 1.00 50.02 H new ATOM 0 HB3 CYS A 41 -9.015 1.363 0.600 1.00 50.02 H new ATOM 0 HG CYS A 41 -8.861 2.395 -2.324 1.00 15.23 H new ATOM 669 N PHE A 42 -9.805 -1.151 -1.273 1.00 23.45 N ATOM 670 CA PHE A 42 -9.181 -2.102 -2.210 1.00 14.15 C ATOM 671 C PHE A 42 -10.226 -3.005 -2.892 1.00 40.32 C ATOM 672 O PHE A 42 -9.922 -3.692 -3.869 1.00 11.40 O ATOM 673 CB PHE A 42 -8.147 -2.976 -1.486 1.00 32.21 C ATOM 674 CG PHE A 42 -7.046 -2.201 -0.805 1.00 41.53 C ATOM 675 CD1 PHE A 42 -6.541 -1.035 -1.367 1.00 44.22 C ATOM 676 CD2 PHE A 42 -6.512 -2.644 0.398 1.00 22.42 C ATOM 677 CE1 PHE A 42 -5.532 -0.329 -0.744 1.00 15.13 C ATOM 678 CE2 PHE A 42 -5.500 -1.939 1.022 1.00 63.40 C ATOM 679 CZ PHE A 42 -5.011 -0.782 0.452 1.00 10.02 C ATOM 0 H PHE A 42 -10.007 -1.537 -0.351 1.00 23.45 H new ATOM 0 HA PHE A 42 -8.685 -1.511 -2.980 1.00 14.15 H new ATOM 0 HB2 PHE A 42 -8.661 -3.585 -0.742 1.00 32.21 H new ATOM 0 HB3 PHE A 42 -7.701 -3.662 -2.206 1.00 32.21 H new ATOM 0 HD1 PHE A 42 -6.943 -0.677 -2.303 1.00 44.22 H new ATOM 0 HD2 PHE A 42 -6.891 -3.548 0.850 1.00 22.42 H new ATOM 0 HE1 PHE A 42 -5.150 0.577 -1.191 1.00 15.13 H new ATOM 0 HE2 PHE A 42 -5.092 -2.294 1.957 1.00 63.40 H new ATOM 0 HZ PHE A 42 -4.221 -0.231 0.941 1.00 10.02 H new ATOM 689 N LYS A 43 -11.453 -3.005 -2.367 1.00 34.22 N ATOM 690 CA LYS A 43 -12.534 -3.855 -2.895 1.00 31.54 C ATOM 691 C LYS A 43 -13.479 -3.049 -3.801 1.00 63.52 C ATOM 692 O LYS A 43 -13.866 -3.498 -4.883 1.00 45.24 O ATOM 693 CB LYS A 43 -13.316 -4.493 -1.738 1.00 41.20 C ATOM 694 CG LYS A 43 -12.424 -5.249 -0.754 1.00 72.11 C ATOM 695 CD LYS A 43 -13.224 -5.947 0.344 1.00 32.14 C ATOM 696 CE LYS A 43 -14.114 -7.051 -0.216 1.00 41.14 C ATOM 697 NZ LYS A 43 -14.803 -7.812 0.860 1.00 4.45 N ATOM 0 H LYS A 43 -11.728 -2.425 -1.574 1.00 34.22 H new ATOM 0 HA LYS A 43 -12.085 -4.645 -3.497 1.00 31.54 H new ATOM 0 HB2 LYS A 43 -13.859 -3.715 -1.202 1.00 41.20 H new ATOM 0 HB3 LYS A 43 -14.060 -5.178 -2.145 1.00 41.20 H new ATOM 0 HG2 LYS A 43 -11.836 -5.989 -1.297 1.00 72.11 H new ATOM 0 HG3 LYS A 43 -11.719 -4.553 -0.299 1.00 72.11 H new ATOM 0 HD2 LYS A 43 -12.539 -6.370 1.079 1.00 32.14 H new ATOM 0 HD3 LYS A 43 -13.839 -5.215 0.866 1.00 32.14 H new ATOM 0 HE2 LYS A 43 -14.857 -6.614 -0.883 1.00 41.14 H new ATOM 0 HE3 LYS A 43 -13.511 -7.734 -0.814 1.00 41.14 H new ATOM 0 HZ1 LYS A 43 -15.397 -8.552 0.436 1.00 4.45 H new ATOM 0 HZ2 LYS A 43 -14.095 -8.251 1.483 1.00 4.45 H new ATOM 0 HZ3 LYS A 43 -15.399 -7.166 1.415 1.00 4.45 H new ATOM 711 N LYS A 44 -13.860 -1.865 -3.334 1.00 74.35 N ATOM 712 CA LYS A 44 -14.645 -0.917 -4.132 1.00 13.23 C ATOM 713 C LYS A 44 -13.721 0.185 -4.683 1.00 51.33 C ATOM 714 O LYS A 44 -12.967 0.798 -3.925 1.00 34.43 O ATOM 715 CB LYS A 44 -15.755 -0.293 -3.271 1.00 21.21 C ATOM 716 CG LYS A 44 -16.779 0.521 -4.061 1.00 24.25 C ATOM 717 CD LYS A 44 -17.663 -0.370 -4.935 1.00 63.01 C ATOM 718 CE LYS A 44 -18.711 0.433 -5.701 1.00 22.21 C ATOM 719 NZ LYS A 44 -19.526 1.289 -4.800 1.00 74.11 N ATOM 0 H LYS A 44 -13.637 -1.532 -2.396 1.00 74.35 H new ATOM 0 HA LYS A 44 -15.106 -1.447 -4.965 1.00 13.23 H new ATOM 0 HB2 LYS A 44 -16.274 -1.088 -2.736 1.00 21.21 H new ATOM 0 HB3 LYS A 44 -15.298 0.351 -2.520 1.00 21.21 H new ATOM 0 HG2 LYS A 44 -17.404 1.087 -3.370 1.00 24.25 H new ATOM 0 HG3 LYS A 44 -16.261 1.246 -4.689 1.00 24.25 H new ATOM 0 HD2 LYS A 44 -17.039 -0.917 -5.642 1.00 63.01 H new ATOM 0 HD3 LYS A 44 -18.161 -1.111 -4.309 1.00 63.01 H new ATOM 0 HE2 LYS A 44 -18.216 1.058 -6.445 1.00 22.21 H new ATOM 0 HE3 LYS A 44 -19.366 -0.250 -6.243 1.00 22.21 H new ATOM 0 HZ1 LYS A 44 -20.365 1.630 -5.311 1.00 74.11 H new ATOM 0 HZ2 LYS A 44 -19.826 0.735 -3.972 1.00 74.11 H new ATOM 0 HZ3 LYS A 44 -18.958 2.102 -4.486 1.00 74.11 H new ATOM 733 N ASP A 45 -13.785 0.431 -5.995 1.00 54.43 N ATOM 734 CA ASP A 45 -12.896 1.398 -6.660 1.00 15.33 C ATOM 735 C ASP A 45 -11.406 0.996 -6.534 1.00 64.33 C ATOM 736 O ASP A 45 -10.585 1.759 -6.020 1.00 14.51 O ATOM 737 CB ASP A 45 -13.119 2.813 -6.094 1.00 30.51 C ATOM 738 CG ASP A 45 -14.518 3.336 -6.366 1.00 13.40 C ATOM 739 OD1 ASP A 45 -14.770 3.800 -7.499 1.00 64.33 O ATOM 740 OD2 ASP A 45 -15.372 3.293 -5.459 1.00 72.40 O ATOM 0 H ASP A 45 -14.445 -0.027 -6.623 1.00 54.43 H new ATOM 0 HA ASP A 45 -13.148 1.395 -7.721 1.00 15.33 H new ATOM 0 HB2 ASP A 45 -12.942 2.802 -5.019 1.00 30.51 H new ATOM 0 HB3 ASP A 45 -12.389 3.494 -6.531 1.00 30.51 H new ATOM 745 N PRO A 46 -11.024 -0.202 -7.027 1.00 33.51 N ATOM 746 CA PRO A 46 -9.634 -0.678 -6.937 1.00 30.44 C ATOM 747 C PRO A 46 -8.692 0.045 -7.922 1.00 4.41 C ATOM 748 O PRO A 46 -8.591 -0.319 -9.096 1.00 22.34 O ATOM 749 CB PRO A 46 -9.757 -2.168 -7.276 1.00 43.24 C ATOM 750 CG PRO A 46 -10.944 -2.249 -8.178 1.00 42.33 C ATOM 751 CD PRO A 46 -11.902 -1.181 -7.708 1.00 63.54 C ATOM 0 HA PRO A 46 -9.194 -0.487 -5.958 1.00 30.44 H new ATOM 0 HB2 PRO A 46 -8.858 -2.539 -7.769 1.00 43.24 H new ATOM 0 HB3 PRO A 46 -9.899 -2.769 -6.378 1.00 43.24 H new ATOM 0 HG2 PRO A 46 -10.656 -2.084 -9.216 1.00 42.33 H new ATOM 0 HG3 PRO A 46 -11.405 -3.235 -8.128 1.00 42.33 H new ATOM 0 HD2 PRO A 46 -12.437 -0.727 -8.542 1.00 63.54 H new ATOM 0 HD3 PRO A 46 -12.653 -1.586 -7.030 1.00 63.54 H new ATOM 759 N SER A 47 -8.021 1.091 -7.440 1.00 61.45 N ATOM 760 CA SER A 47 -7.096 1.879 -8.273 1.00 41.32 C ATOM 761 C SER A 47 -6.052 2.601 -7.417 1.00 53.13 C ATOM 762 O SER A 47 -6.314 2.946 -6.266 1.00 12.43 O ATOM 763 CB SER A 47 -7.874 2.909 -9.109 1.00 51.20 C ATOM 764 OG SER A 47 -7.000 3.803 -9.790 1.00 3.21 O ATOM 0 H SER A 47 -8.097 1.417 -6.477 1.00 61.45 H new ATOM 0 HA SER A 47 -6.580 1.186 -8.937 1.00 41.32 H new ATOM 0 HB2 SER A 47 -8.501 2.390 -9.834 1.00 51.20 H new ATOM 0 HB3 SER A 47 -8.541 3.476 -8.459 1.00 51.20 H new ATOM 0 HG SER A 47 -7.528 4.442 -10.312 1.00 3.21 H new ATOM 770 N ILE A 48 -4.867 2.831 -7.990 1.00 0.22 N ATOM 771 CA ILE A 48 -3.809 3.592 -7.312 1.00 10.25 C ATOM 772 C ILE A 48 -4.328 4.972 -6.875 1.00 20.35 C ATOM 773 O ILE A 48 -4.187 5.364 -5.720 1.00 32.43 O ATOM 774 CB ILE A 48 -2.570 3.780 -8.232 1.00 23.10 C ATOM 775 CG1 ILE A 48 -1.967 2.416 -8.622 1.00 22.54 C ATOM 776 CG2 ILE A 48 -1.517 4.661 -7.557 1.00 11.21 C ATOM 777 CD1 ILE A 48 -1.378 1.644 -7.456 1.00 63.23 C ATOM 0 H ILE A 48 -4.614 2.502 -8.922 1.00 0.22 H new ATOM 0 HA ILE A 48 -3.511 3.020 -6.433 1.00 10.25 H new ATOM 0 HB ILE A 48 -2.900 4.282 -9.142 1.00 23.10 H new ATOM 0 HG12 ILE A 48 -2.741 1.809 -9.092 1.00 22.54 H new ATOM 0 HG13 ILE A 48 -1.189 2.575 -9.369 1.00 22.54 H new ATOM 0 HG21 ILE A 48 -0.660 4.777 -8.221 1.00 11.21 H new ATOM 0 HG22 ILE A 48 -1.945 5.640 -7.342 1.00 11.21 H new ATOM 0 HG23 ILE A 48 -1.194 4.194 -6.626 1.00 11.21 H new ATOM 0 HD11 ILE A 48 -0.975 0.697 -7.814 1.00 63.23 H new ATOM 0 HD12 ILE A 48 -0.580 2.229 -6.999 1.00 63.23 H new ATOM 0 HD13 ILE A 48 -2.156 1.451 -6.717 1.00 63.23 H new ATOM 789 N LYS A 49 -4.958 5.683 -7.808 1.00 45.41 N ATOM 790 CA LYS A 49 -5.513 7.015 -7.533 1.00 4.21 C ATOM 791 C LYS A 49 -6.632 6.931 -6.471 1.00 12.45 C ATOM 792 O LYS A 49 -6.725 7.777 -5.575 1.00 44.11 O ATOM 793 CB LYS A 49 -6.044 7.631 -8.845 1.00 5.43 C ATOM 794 CG LYS A 49 -6.013 9.162 -8.901 1.00 32.24 C ATOM 795 CD LYS A 49 -7.099 9.817 -8.049 1.00 10.40 C ATOM 796 CE LYS A 49 -7.042 11.339 -8.155 1.00 50.54 C ATOM 797 NZ LYS A 49 -8.139 12.006 -7.406 1.00 72.53 N ATOM 0 H LYS A 49 -5.099 5.361 -8.766 1.00 45.41 H new ATOM 0 HA LYS A 49 -4.726 7.655 -7.134 1.00 4.21 H new ATOM 0 HB2 LYS A 49 -5.457 7.240 -9.676 1.00 5.43 H new ATOM 0 HB3 LYS A 49 -7.071 7.298 -8.996 1.00 5.43 H new ATOM 0 HG2 LYS A 49 -5.037 9.512 -8.566 1.00 32.24 H new ATOM 0 HG3 LYS A 49 -6.129 9.484 -9.936 1.00 32.24 H new ATOM 0 HD2 LYS A 49 -8.079 9.464 -8.370 1.00 10.40 H new ATOM 0 HD3 LYS A 49 -6.978 9.518 -7.008 1.00 10.40 H new ATOM 0 HE2 LYS A 49 -6.082 11.690 -7.776 1.00 50.54 H new ATOM 0 HE3 LYS A 49 -7.095 11.629 -9.204 1.00 50.54 H new ATOM 0 HZ1 LYS A 49 -8.054 13.037 -7.511 1.00 72.53 H new ATOM 0 HZ2 LYS A 49 -9.057 11.694 -7.783 1.00 72.53 H new ATOM 0 HZ3 LYS A 49 -8.075 11.754 -6.399 1.00 72.53 H new ATOM 811 N SER A 50 -7.466 5.892 -6.573 1.00 21.33 N ATOM 812 CA SER A 50 -8.561 5.668 -5.612 1.00 60.11 C ATOM 813 C SER A 50 -8.032 5.270 -4.229 1.00 14.24 C ATOM 814 O SER A 50 -8.684 5.506 -3.214 1.00 41.13 O ATOM 815 CB SER A 50 -9.523 4.589 -6.128 1.00 61.03 C ATOM 816 OG SER A 50 -10.095 4.962 -7.374 1.00 23.21 O ATOM 0 H SER A 50 -7.407 5.190 -7.310 1.00 21.33 H new ATOM 0 HA SER A 50 -9.098 6.611 -5.512 1.00 60.11 H new ATOM 0 HB2 SER A 50 -8.989 3.645 -6.238 1.00 61.03 H new ATOM 0 HB3 SER A 50 -10.314 4.424 -5.397 1.00 61.03 H new ATOM 0 HG SER A 50 -10.702 4.256 -7.680 1.00 23.21 H new ATOM 822 N SER A 51 -6.850 4.663 -4.195 1.00 0.20 N ATOM 823 CA SER A 51 -6.201 4.300 -2.928 1.00 0.24 C ATOM 824 C SER A 51 -5.514 5.517 -2.295 1.00 0.31 C ATOM 825 O SER A 51 -5.685 5.794 -1.108 1.00 55.00 O ATOM 826 CB SER A 51 -5.176 3.180 -3.150 1.00 72.30 C ATOM 827 OG SER A 51 -4.506 2.840 -1.948 1.00 34.33 O ATOM 0 H SER A 51 -6.317 4.410 -5.027 1.00 0.20 H new ATOM 0 HA SER A 51 -6.974 3.944 -2.246 1.00 0.24 H new ATOM 0 HB2 SER A 51 -5.679 2.299 -3.548 1.00 72.30 H new ATOM 0 HB3 SER A 51 -4.447 3.496 -3.897 1.00 72.30 H new ATOM 0 HG SER A 51 -3.862 2.123 -2.124 1.00 34.33 H new ATOM 833 N LEU A 52 -4.753 6.257 -3.105 1.00 45.51 N ATOM 834 CA LEU A 52 -4.023 7.435 -2.622 1.00 42.14 C ATOM 835 C LEU A 52 -4.954 8.466 -1.965 1.00 45.14 C ATOM 836 O LEU A 52 -4.604 9.055 -0.944 1.00 22.15 O ATOM 837 CB LEU A 52 -3.236 8.093 -3.765 1.00 32.52 C ATOM 838 CG LEU A 52 -2.092 7.246 -4.354 1.00 62.20 C ATOM 839 CD1 LEU A 52 -1.394 7.992 -5.489 1.00 44.22 C ATOM 840 CD2 LEU A 52 -1.088 6.857 -3.268 1.00 72.14 C ATOM 0 H LEU A 52 -4.625 6.063 -4.098 1.00 45.51 H new ATOM 0 HA LEU A 52 -3.326 7.085 -1.860 1.00 42.14 H new ATOM 0 HB2 LEU A 52 -3.932 8.341 -4.567 1.00 32.52 H new ATOM 0 HB3 LEU A 52 -2.820 9.033 -3.403 1.00 32.52 H new ATOM 0 HG LEU A 52 -2.524 6.332 -4.761 1.00 62.20 H new ATOM 0 HD11 LEU A 52 -0.590 7.375 -5.890 1.00 44.22 H new ATOM 0 HD12 LEU A 52 -2.113 8.208 -6.279 1.00 44.22 H new ATOM 0 HD13 LEU A 52 -0.980 8.926 -5.110 1.00 44.22 H new ATOM 0 HD21 LEU A 52 -0.290 6.259 -3.708 1.00 72.14 H new ATOM 0 HD22 LEU A 52 -0.665 7.758 -2.824 1.00 72.14 H new ATOM 0 HD23 LEU A 52 -1.593 6.276 -2.497 1.00 72.14 H new ATOM 852 N LYS A 53 -6.141 8.684 -2.541 1.00 74.24 N ATOM 853 CA LYS A 53 -7.107 9.626 -1.957 1.00 34.05 C ATOM 854 C LYS A 53 -7.501 9.194 -0.530 1.00 71.12 C ATOM 855 O LYS A 53 -7.650 10.026 0.367 1.00 55.20 O ATOM 856 CB LYS A 53 -8.365 9.747 -2.836 1.00 24.03 C ATOM 857 CG LYS A 53 -9.215 8.480 -2.887 1.00 54.23 C ATOM 858 CD LYS A 53 -10.483 8.659 -3.721 1.00 22.04 C ATOM 859 CE LYS A 53 -10.170 8.957 -5.184 1.00 23.23 C ATOM 860 NZ LYS A 53 -11.390 8.941 -6.035 1.00 55.04 N ATOM 0 H LYS A 53 -6.455 8.229 -3.399 1.00 74.24 H new ATOM 0 HA LYS A 53 -6.625 10.602 -1.907 1.00 34.05 H new ATOM 0 HB2 LYS A 53 -8.978 10.568 -2.463 1.00 24.03 H new ATOM 0 HB3 LYS A 53 -8.063 10.010 -3.850 1.00 24.03 H new ATOM 0 HG2 LYS A 53 -8.622 7.665 -3.303 1.00 54.23 H new ATOM 0 HG3 LYS A 53 -9.489 8.189 -1.873 1.00 54.23 H new ATOM 0 HD2 LYS A 53 -11.089 7.755 -3.657 1.00 22.04 H new ATOM 0 HD3 LYS A 53 -11.078 9.472 -3.305 1.00 22.04 H new ATOM 0 HE2 LYS A 53 -9.689 9.932 -5.259 1.00 23.23 H new ATOM 0 HE3 LYS A 53 -9.458 8.221 -5.559 1.00 23.23 H new ATOM 0 HZ1 LYS A 53 -11.129 9.148 -7.020 1.00 55.04 H new ATOM 0 HZ2 LYS A 53 -11.836 8.003 -5.985 1.00 55.04 H new ATOM 0 HZ3 LYS A 53 -12.060 9.661 -5.695 1.00 55.04 H new ATOM 874 N PHE A 54 -7.650 7.882 -0.331 1.00 5.00 N ATOM 875 CA PHE A 54 -7.986 7.329 0.983 1.00 2.30 C ATOM 876 C PHE A 54 -6.785 7.426 1.935 1.00 14.11 C ATOM 877 O PHE A 54 -6.936 7.749 3.113 1.00 52.03 O ATOM 878 CB PHE A 54 -8.432 5.866 0.840 1.00 53.34 C ATOM 879 CG PHE A 54 -8.912 5.244 2.128 1.00 52.02 C ATOM 880 CD1 PHE A 54 -10.208 5.457 2.574 1.00 21.24 C ATOM 881 CD2 PHE A 54 -8.069 4.447 2.894 1.00 74.31 C ATOM 882 CE1 PHE A 54 -10.655 4.890 3.753 1.00 15.20 C ATOM 883 CE2 PHE A 54 -8.513 3.879 4.073 1.00 61.35 C ATOM 884 CZ PHE A 54 -9.805 4.100 4.503 1.00 53.03 C ATOM 0 H PHE A 54 -7.543 7.182 -1.065 1.00 5.00 H new ATOM 0 HA PHE A 54 -8.806 7.911 1.404 1.00 2.30 H new ATOM 0 HB2 PHE A 54 -9.232 5.811 0.101 1.00 53.34 H new ATOM 0 HB3 PHE A 54 -7.599 5.279 0.453 1.00 53.34 H new ATOM 0 HD1 PHE A 54 -10.877 6.074 1.992 1.00 21.24 H new ATOM 0 HD2 PHE A 54 -7.056 4.270 2.564 1.00 74.31 H new ATOM 0 HE1 PHE A 54 -11.667 5.064 4.087 1.00 15.20 H new ATOM 0 HE2 PHE A 54 -7.848 3.261 4.658 1.00 61.35 H new ATOM 0 HZ PHE A 54 -10.152 3.656 5.425 1.00 53.03 H new ATOM 894 N LEU A 55 -5.590 7.154 1.412 1.00 24.43 N ATOM 895 CA LEU A 55 -4.351 7.243 2.198 1.00 25.44 C ATOM 896 C LEU A 55 -4.049 8.696 2.613 1.00 14.21 C ATOM 897 O LEU A 55 -3.473 8.945 3.674 1.00 52.45 O ATOM 898 CB LEU A 55 -3.179 6.657 1.400 1.00 51.12 C ATOM 899 CG LEU A 55 -3.328 5.173 1.013 1.00 32.21 C ATOM 900 CD1 LEU A 55 -2.153 4.706 0.158 1.00 74.15 C ATOM 901 CD2 LEU A 55 -3.473 4.300 2.260 1.00 63.42 C ATOM 0 H LEU A 55 -5.449 6.868 0.443 1.00 24.43 H new ATOM 0 HA LEU A 55 -4.487 6.662 3.110 1.00 25.44 H new ATOM 0 HB2 LEU A 55 -3.051 7.243 0.490 1.00 51.12 H new ATOM 0 HB3 LEU A 55 -2.267 6.774 1.985 1.00 51.12 H new ATOM 0 HG LEU A 55 -4.235 5.072 0.417 1.00 32.21 H new ATOM 0 HD11 LEU A 55 -2.286 3.655 -0.100 1.00 74.15 H new ATOM 0 HD12 LEU A 55 -2.108 5.301 -0.754 1.00 74.15 H new ATOM 0 HD13 LEU A 55 -1.225 4.828 0.717 1.00 74.15 H new ATOM 0 HD21 LEU A 55 -3.577 3.256 1.963 1.00 63.42 H new ATOM 0 HD22 LEU A 55 -2.589 4.413 2.888 1.00 63.42 H new ATOM 0 HD23 LEU A 55 -4.357 4.608 2.819 1.00 63.42 H new ATOM 913 N ARG A 56 -4.445 9.652 1.775 1.00 54.41 N ATOM 914 CA ARG A 56 -4.308 11.080 2.097 1.00 24.43 C ATOM 915 C ARG A 56 -5.447 11.553 3.019 1.00 20.33 C ATOM 916 O ARG A 56 -5.482 12.707 3.449 1.00 70.23 O ATOM 917 CB ARG A 56 -4.300 11.925 0.814 1.00 53.31 C ATOM 918 CG ARG A 56 -3.131 11.622 -0.121 1.00 51.22 C ATOM 919 CD ARG A 56 -3.157 12.509 -1.364 1.00 72.12 C ATOM 920 NE ARG A 56 -3.063 13.928 -1.028 1.00 60.21 N ATOM 921 CZ ARG A 56 -3.038 14.891 -1.908 1.00 12.21 C ATOM 922 NH1 ARG A 56 -3.056 14.628 -3.175 1.00 14.24 N ATOM 923 NH2 ARG A 56 -2.978 16.120 -1.518 1.00 44.21 N ATOM 0 H ARG A 56 -4.865 9.468 0.864 1.00 54.41 H new ATOM 0 HA ARG A 56 -3.360 11.211 2.619 1.00 24.43 H new ATOM 0 HB2 ARG A 56 -5.234 11.760 0.277 1.00 53.31 H new ATOM 0 HB3 ARG A 56 -4.271 12.980 1.086 1.00 53.31 H new ATOM 0 HG2 ARG A 56 -2.191 11.769 0.412 1.00 51.22 H new ATOM 0 HG3 ARG A 56 -3.167 10.575 -0.421 1.00 51.22 H new ATOM 0 HD2 ARG A 56 -2.331 12.237 -2.021 1.00 72.12 H new ATOM 0 HD3 ARG A 56 -4.078 12.328 -1.919 1.00 72.12 H new ATOM 0 HE ARG A 56 -3.014 14.182 -0.041 1.00 60.21 H new ATOM 0 HH11 ARG A 56 -3.090 13.660 -3.494 1.00 14.24 H new ATOM 0 HH12 ARG A 56 -3.036 15.389 -3.854 1.00 14.24 H new ATOM 0 HH21 ARG A 56 -2.950 16.338 -0.522 1.00 44.21 H new ATOM 0 HH22 ARG A 56 -2.958 16.873 -2.206 1.00 44.21 H new ATOM 937 N LYS A 57 -6.384 10.653 3.296 1.00 12.32 N ATOM 938 CA LYS A 57 -7.516 10.934 4.185 1.00 33.51 C ATOM 939 C LYS A 57 -7.435 10.101 5.480 1.00 10.23 C ATOM 940 O LYS A 57 -7.999 10.470 6.515 1.00 14.41 O ATOM 941 CB LYS A 57 -8.827 10.632 3.436 1.00 73.34 C ATOM 942 CG LYS A 57 -10.084 10.756 4.289 1.00 5.31 C ATOM 943 CD LYS A 57 -11.348 10.434 3.494 1.00 74.14 C ATOM 944 CE LYS A 57 -12.582 10.361 4.390 1.00 32.34 C ATOM 945 NZ LYS A 57 -12.821 11.634 5.122 1.00 61.11 N ATOM 0 H LYS A 57 -6.384 9.708 2.913 1.00 12.32 H new ATOM 0 HA LYS A 57 -7.485 11.985 4.471 1.00 33.51 H new ATOM 0 HB2 LYS A 57 -8.911 11.311 2.587 1.00 73.34 H new ATOM 0 HB3 LYS A 57 -8.775 9.621 3.032 1.00 73.34 H new ATOM 0 HG2 LYS A 57 -10.011 10.082 5.143 1.00 5.31 H new ATOM 0 HG3 LYS A 57 -10.154 11.768 4.687 1.00 5.31 H new ATOM 0 HD2 LYS A 57 -11.499 11.196 2.729 1.00 74.14 H new ATOM 0 HD3 LYS A 57 -11.219 9.484 2.976 1.00 74.14 H new ATOM 0 HE2 LYS A 57 -13.456 10.123 3.783 1.00 32.34 H new ATOM 0 HE3 LYS A 57 -12.461 9.549 5.107 1.00 32.34 H new ATOM 0 HZ1 LYS A 57 -13.714 11.568 5.651 1.00 61.11 H new ATOM 0 HZ2 LYS A 57 -12.038 11.806 5.784 1.00 61.11 H new ATOM 0 HZ3 LYS A 57 -12.879 12.419 4.443 1.00 61.11 H new ATOM 959 N THR A 58 -6.714 8.985 5.417 1.00 24.54 N ATOM 960 CA THR A 58 -6.658 8.021 6.526 1.00 1.12 C ATOM 961 C THR A 58 -5.211 7.716 6.949 1.00 22.15 C ATOM 962 O THR A 58 -4.483 7.004 6.252 1.00 3.13 O ATOM 963 CB THR A 58 -7.355 6.695 6.136 1.00 23.21 C ATOM 964 OG1 THR A 58 -8.681 6.957 5.650 1.00 51.53 O ATOM 965 CG2 THR A 58 -7.431 5.746 7.323 1.00 34.33 C ATOM 0 H THR A 58 -6.155 8.720 4.606 1.00 24.54 H new ATOM 0 HA THR A 58 -7.178 8.480 7.367 1.00 1.12 H new ATOM 0 HB THR A 58 -6.763 6.225 5.351 1.00 23.21 H new ATOM 0 HG1 THR A 58 -9.049 6.143 5.248 1.00 51.53 H new ATOM 0 HG21 THR A 58 -7.925 4.823 7.020 1.00 34.33 H new ATOM 0 HG22 THR A 58 -6.424 5.520 7.673 1.00 34.33 H new ATOM 0 HG23 THR A 58 -7.998 6.214 8.127 1.00 34.33 H new ATOM 973 N ASP A 59 -4.809 8.244 8.101 1.00 44.54 N ATOM 974 CA ASP A 59 -3.445 8.060 8.610 1.00 11.32 C ATOM 975 C ASP A 59 -3.161 6.595 8.994 1.00 62.33 C ATOM 976 O ASP A 59 -2.149 6.023 8.578 1.00 70.12 O ATOM 977 CB ASP A 59 -3.218 8.974 9.814 1.00 24.02 C ATOM 978 CG ASP A 59 -3.471 10.433 9.480 1.00 35.34 C ATOM 979 OD1 ASP A 59 -4.651 10.843 9.475 1.00 50.13 O ATOM 980 OD2 ASP A 59 -2.497 11.173 9.210 1.00 55.21 O ATOM 0 H ASP A 59 -5.408 8.806 8.706 1.00 44.54 H new ATOM 0 HA ASP A 59 -2.753 8.324 7.810 1.00 11.32 H new ATOM 0 HB2 ASP A 59 -3.876 8.670 10.628 1.00 24.02 H new ATOM 0 HB3 ASP A 59 -2.194 8.856 10.170 1.00 24.02 H new ATOM 985 N TRP A 60 -4.065 5.981 9.768 1.00 31.12 N ATOM 986 CA TRP A 60 -3.872 4.596 10.240 1.00 54.21 C ATOM 987 C TRP A 60 -3.838 3.579 9.085 1.00 63.51 C ATOM 988 O TRP A 60 -3.532 2.405 9.290 1.00 4.53 O ATOM 989 CB TRP A 60 -4.943 4.204 11.280 1.00 62.44 C ATOM 990 CG TRP A 60 -6.363 4.295 10.798 1.00 54.34 C ATOM 991 CD1 TRP A 60 -7.197 5.375 10.896 1.00 15.24 C ATOM 992 CD2 TRP A 60 -7.130 3.255 10.172 1.00 24.21 C ATOM 993 NE1 TRP A 60 -8.425 5.075 10.360 1.00 43.33 N ATOM 994 CE2 TRP A 60 -8.410 3.781 9.911 1.00 52.11 C ATOM 995 CE3 TRP A 60 -6.858 1.934 9.801 1.00 4.15 C ATOM 996 CZ2 TRP A 60 -9.414 3.032 9.301 1.00 2.23 C ATOM 997 CZ3 TRP A 60 -7.854 1.190 9.195 1.00 42.41 C ATOM 998 CH2 TRP A 60 -9.119 1.742 8.948 1.00 3.24 C ATOM 0 H TRP A 60 -4.933 6.415 10.081 1.00 31.12 H new ATOM 0 HA TRP A 60 -2.895 4.567 10.722 1.00 54.21 H new ATOM 0 HB2 TRP A 60 -4.752 3.182 11.608 1.00 62.44 H new ATOM 0 HB3 TRP A 60 -4.831 4.846 12.154 1.00 62.44 H new ATOM 0 HD1 TRP A 60 -6.928 6.326 11.332 1.00 15.24 H new ATOM 0 HE1 TRP A 60 -9.219 5.712 10.305 1.00 43.33 H new ATOM 0 HE3 TRP A 60 -5.885 1.502 9.985 1.00 4.15 H new ATOM 0 HZ2 TRP A 60 -10.390 3.454 9.113 1.00 2.23 H new ATOM 0 HZ3 TRP A 60 -7.654 0.168 8.908 1.00 42.41 H new ATOM 0 HH2 TRP A 60 -9.876 1.138 8.470 1.00 3.24 H new ATOM 1009 N ALA A 61 -4.153 4.027 7.872 1.00 3.12 N ATOM 1010 CA ALA A 61 -4.007 3.185 6.682 1.00 4.11 C ATOM 1011 C ALA A 61 -2.555 3.207 6.176 1.00 4.11 C ATOM 1012 O ALA A 61 -1.972 2.160 5.882 1.00 52.44 O ATOM 1013 CB ALA A 61 -4.961 3.645 5.586 1.00 22.23 C ATOM 0 H ALA A 61 -4.510 4.964 7.685 1.00 3.12 H new ATOM 0 HA ALA A 61 -4.259 2.160 6.953 1.00 4.11 H new ATOM 0 HB1 ALA A 61 -4.841 3.010 4.709 1.00 22.23 H new ATOM 0 HB2 ALA A 61 -5.988 3.577 5.945 1.00 22.23 H new ATOM 0 HB3 ALA A 61 -4.738 4.678 5.319 1.00 22.23 H new ATOM 1019 N ARG A 62 -1.972 4.410 6.107 1.00 53.53 N ATOM 1020 CA ARG A 62 -0.588 4.585 5.636 1.00 34.14 C ATOM 1021 C ARG A 62 0.404 3.713 6.416 1.00 51.21 C ATOM 1022 O ARG A 62 1.141 2.924 5.830 1.00 51.32 O ATOM 1023 CB ARG A 62 -0.154 6.051 5.758 1.00 43.30 C ATOM 1024 CG ARG A 62 -0.761 6.990 4.724 1.00 43.51 C ATOM 1025 CD ARG A 62 -0.113 8.368 4.800 1.00 43.35 C ATOM 1026 NE ARG A 62 1.345 8.279 4.734 1.00 42.10 N ATOM 1027 CZ ARG A 62 2.168 9.168 5.220 1.00 2.11 C ATOM 1028 NH1 ARG A 62 1.730 10.227 5.824 1.00 34.10 N ATOM 1029 NH2 ARG A 62 3.436 8.973 5.126 1.00 42.52 N ATOM 0 H ARG A 62 -2.436 5.279 6.371 1.00 53.53 H new ATOM 0 HA ARG A 62 -0.576 4.276 4.591 1.00 34.14 H new ATOM 0 HB2 ARG A 62 -0.418 6.411 6.753 1.00 43.30 H new ATOM 0 HB3 ARG A 62 0.932 6.101 5.679 1.00 43.30 H new ATOM 0 HG2 ARG A 62 -0.627 6.574 3.725 1.00 43.51 H new ATOM 0 HG3 ARG A 62 -1.834 7.078 4.891 1.00 43.51 H new ATOM 0 HD2 ARG A 62 -0.478 8.989 3.982 1.00 43.35 H new ATOM 0 HD3 ARG A 62 -0.407 8.859 5.728 1.00 43.35 H new ATOM 0 HE ARG A 62 1.748 7.463 4.275 1.00 42.10 H new ATOM 0 HH11 ARG A 62 0.726 10.377 5.926 1.00 34.10 H new ATOM 0 HH12 ARG A 62 2.389 10.910 6.197 1.00 34.10 H new ATOM 0 HH21 ARG A 62 3.790 8.130 4.675 1.00 42.52 H new ATOM 0 HH22 ARG A 62 4.087 9.662 5.503 1.00 42.52 H new ATOM 1043 N GLU A 63 0.411 3.871 7.742 1.00 52.51 N ATOM 1044 CA GLU A 63 1.345 3.151 8.621 1.00 22.43 C ATOM 1045 C GLU A 63 1.440 1.655 8.277 1.00 52.34 C ATOM 1046 O GLU A 63 2.528 1.081 8.255 1.00 23.03 O ATOM 1047 CB GLU A 63 0.908 3.315 10.086 1.00 11.00 C ATOM 1048 CG GLU A 63 -0.542 2.914 10.337 1.00 72.35 C ATOM 1049 CD GLU A 63 -0.927 2.900 11.808 1.00 24.35 C ATOM 1050 OE1 GLU A 63 -0.901 3.974 12.446 1.00 31.12 O ATOM 1051 OE2 GLU A 63 -1.276 1.815 12.328 1.00 2.23 O ATOM 0 H GLU A 63 -0.225 4.496 8.237 1.00 52.51 H new ATOM 0 HA GLU A 63 2.333 3.585 8.469 1.00 22.43 H new ATOM 0 HB2 GLU A 63 1.558 2.713 10.720 1.00 11.00 H new ATOM 0 HB3 GLU A 63 1.046 4.354 10.384 1.00 11.00 H new ATOM 0 HG2 GLU A 63 -1.198 3.604 9.806 1.00 72.35 H new ATOM 0 HG3 GLU A 63 -0.714 1.923 9.916 1.00 72.35 H new ATOM 1058 N ARG A 64 0.299 1.042 7.989 1.00 35.03 N ATOM 1059 CA ARG A 64 0.232 -0.402 7.751 1.00 55.34 C ATOM 1060 C ARG A 64 0.591 -0.760 6.300 1.00 1.22 C ATOM 1061 O ARG A 64 1.251 -1.767 6.054 1.00 52.22 O ATOM 1062 CB ARG A 64 -1.163 -0.905 8.134 1.00 33.04 C ATOM 1063 CG ARG A 64 -1.512 -0.553 9.577 1.00 55.11 C ATOM 1064 CD ARG A 64 -2.982 -0.753 9.905 1.00 43.31 C ATOM 1065 NE ARG A 64 -3.331 -0.056 11.140 1.00 62.32 N ATOM 1066 CZ ARG A 64 -4.525 -0.014 11.655 1.00 34.33 C ATOM 1067 NH1 ARG A 64 -5.499 -0.673 11.120 1.00 12.42 N ATOM 1068 NH2 ARG A 64 -4.740 0.686 12.716 1.00 65.34 N ATOM 0 H ARG A 64 -0.598 1.521 7.913 1.00 35.03 H new ATOM 0 HA ARG A 64 0.974 -0.900 8.375 1.00 55.34 H new ATOM 0 HB2 ARG A 64 -1.904 -0.469 7.464 1.00 33.04 H new ATOM 0 HB3 ARG A 64 -1.209 -1.986 8.001 1.00 33.04 H new ATOM 0 HG2 ARG A 64 -0.910 -1.165 10.249 1.00 55.11 H new ATOM 0 HG3 ARG A 64 -1.243 0.486 9.766 1.00 55.11 H new ATOM 0 HD2 ARG A 64 -3.597 -0.382 9.085 1.00 43.31 H new ATOM 0 HD3 ARG A 64 -3.196 -1.817 10.008 1.00 43.31 H new ATOM 0 HE ARG A 64 -2.585 0.433 11.634 1.00 62.32 H new ATOM 0 HH11 ARG A 64 -5.336 -1.235 10.284 1.00 12.42 H new ATOM 0 HH12 ARG A 64 -6.431 -0.632 11.533 1.00 12.42 H new ATOM 0 HH21 ARG A 64 -3.975 1.204 13.149 1.00 65.34 H new ATOM 0 HH22 ARG A 64 -5.675 0.722 13.123 1.00 65.34 H new ATOM 1082 N VAL A 65 0.181 0.075 5.344 1.00 64.52 N ATOM 1083 CA VAL A 65 0.581 -0.113 3.941 1.00 53.13 C ATOM 1084 C VAL A 65 2.107 0.030 3.789 1.00 3.03 C ATOM 1085 O VAL A 65 2.778 -0.829 3.208 1.00 22.13 O ATOM 1086 CB VAL A 65 -0.132 0.902 3.008 1.00 12.44 C ATOM 1087 CG1 VAL A 65 0.354 0.760 1.565 1.00 24.13 C ATOM 1088 CG2 VAL A 65 -1.650 0.734 3.087 1.00 63.32 C ATOM 0 H VAL A 65 -0.422 0.881 5.509 1.00 64.52 H new ATOM 0 HA VAL A 65 0.282 -1.120 3.649 1.00 53.13 H new ATOM 0 HB VAL A 65 0.121 1.906 3.349 1.00 12.44 H new ATOM 0 HG11 VAL A 65 -0.163 1.483 0.934 1.00 24.13 H new ATOM 0 HG12 VAL A 65 1.428 0.943 1.523 1.00 24.13 H new ATOM 0 HG13 VAL A 65 0.144 -0.248 1.208 1.00 24.13 H new ATOM 0 HG21 VAL A 65 -2.131 1.455 2.426 1.00 63.32 H new ATOM 0 HG22 VAL A 65 -1.921 -0.276 2.781 1.00 63.32 H new ATOM 0 HG23 VAL A 65 -1.982 0.904 4.111 1.00 63.32 H new ATOM 1098 N GLU A 66 2.649 1.116 4.334 1.00 13.41 N ATOM 1099 CA GLU A 66 4.095 1.347 4.342 1.00 74.42 C ATOM 1100 C GLU A 66 4.825 0.256 5.152 1.00 62.33 C ATOM 1101 O GLU A 66 5.934 -0.159 4.800 1.00 62.20 O ATOM 1102 CB GLU A 66 4.402 2.749 4.898 1.00 53.21 C ATOM 1103 CG GLU A 66 3.797 3.882 4.062 1.00 2.41 C ATOM 1104 CD GLU A 66 4.121 5.274 4.597 1.00 70.05 C ATOM 1105 OE1 GLU A 66 5.319 5.596 4.744 1.00 13.22 O ATOM 1106 OE2 GLU A 66 3.181 6.065 4.844 1.00 31.04 O ATOM 0 H GLU A 66 2.106 1.856 4.779 1.00 13.41 H new ATOM 0 HA GLU A 66 4.461 1.294 3.317 1.00 74.42 H new ATOM 0 HB2 GLU A 66 4.023 2.818 5.918 1.00 53.21 H new ATOM 0 HB3 GLU A 66 5.483 2.883 4.949 1.00 53.21 H new ATOM 0 HG2 GLU A 66 4.161 3.801 3.038 1.00 2.41 H new ATOM 0 HG3 GLU A 66 2.715 3.758 4.026 1.00 2.41 H new ATOM 1113 N ASN A 67 4.185 -0.221 6.226 1.00 42.32 N ATOM 1114 CA ASN A 67 4.716 -1.336 7.022 1.00 23.54 C ATOM 1115 C ASN A 67 4.882 -2.600 6.155 1.00 52.31 C ATOM 1116 O ASN A 67 5.898 -3.294 6.236 1.00 55.54 O ATOM 1117 CB ASN A 67 3.782 -1.634 8.206 1.00 55.24 C ATOM 1118 CG ASN A 67 4.350 -2.657 9.174 1.00 43.40 C ATOM 1119 OD1 ASN A 67 5.556 -2.737 9.384 1.00 41.54 O ATOM 1120 ND2 ASN A 67 3.485 -3.451 9.772 1.00 35.11 N ATOM 0 H ASN A 67 3.297 0.148 6.565 1.00 42.32 H new ATOM 0 HA ASN A 67 5.696 -1.046 7.402 1.00 23.54 H new ATOM 0 HB2 ASN A 67 3.581 -0.707 8.744 1.00 55.24 H new ATOM 0 HB3 ASN A 67 2.827 -1.995 7.825 1.00 55.24 H new ATOM 0 HD21 ASN A 67 3.812 -4.157 10.431 1.00 35.11 H new ATOM 0 HD22 ASN A 67 2.488 -3.359 9.576 1.00 35.11 H new ATOM 1127 N ILE A 68 3.876 -2.894 5.325 1.00 72.42 N ATOM 1128 CA ILE A 68 3.942 -4.031 4.397 1.00 0.22 C ATOM 1129 C ILE A 68 5.151 -3.912 3.453 1.00 42.13 C ATOM 1130 O ILE A 68 5.835 -4.901 3.177 1.00 54.04 O ATOM 1131 CB ILE A 68 2.646 -4.152 3.552 1.00 75.54 C ATOM 1132 CG1 ILE A 68 1.434 -4.425 4.460 1.00 43.12 C ATOM 1133 CG2 ILE A 68 2.783 -5.252 2.493 1.00 53.11 C ATOM 1134 CD1 ILE A 68 0.115 -4.476 3.719 1.00 3.25 C ATOM 0 H ILE A 68 3.007 -2.362 5.276 1.00 72.42 H new ATOM 0 HA ILE A 68 4.051 -4.928 5.007 1.00 0.22 H new ATOM 0 HB ILE A 68 2.487 -3.204 3.037 1.00 75.54 H new ATOM 0 HG12 ILE A 68 1.586 -5.372 4.978 1.00 43.12 H new ATOM 0 HG13 ILE A 68 1.381 -3.649 5.223 1.00 43.12 H new ATOM 0 HG21 ILE A 68 1.862 -5.317 1.914 1.00 53.11 H new ATOM 0 HG22 ILE A 68 3.613 -5.015 1.828 1.00 53.11 H new ATOM 0 HG23 ILE A 68 2.972 -6.207 2.983 1.00 53.11 H new ATOM 0 HD11 ILE A 68 -0.692 -4.672 4.425 1.00 3.25 H new ATOM 0 HD12 ILE A 68 -0.061 -3.521 3.223 1.00 3.25 H new ATOM 0 HD13 ILE A 68 0.147 -5.271 2.974 1.00 3.25 H new ATOM 1146 N TYR A 69 5.414 -2.699 2.967 1.00 25.45 N ATOM 1147 CA TYR A 69 6.570 -2.460 2.097 1.00 30.14 C ATOM 1148 C TYR A 69 7.888 -2.735 2.840 1.00 10.31 C ATOM 1149 O TYR A 69 8.801 -3.356 2.294 1.00 44.52 O ATOM 1150 CB TYR A 69 6.560 -1.030 1.546 1.00 72.23 C ATOM 1151 CG TYR A 69 7.564 -0.817 0.427 1.00 72.52 C ATOM 1152 CD1 TYR A 69 7.253 -1.174 -0.882 1.00 51.51 C ATOM 1153 CD2 TYR A 69 8.825 -0.282 0.678 1.00 3.32 C ATOM 1154 CE1 TYR A 69 8.165 -1.001 -1.904 1.00 74.22 C ATOM 1155 CE2 TYR A 69 9.743 -0.111 -0.339 1.00 30.10 C ATOM 1156 CZ TYR A 69 9.408 -0.472 -1.628 1.00 42.43 C ATOM 1157 OH TYR A 69 10.324 -0.315 -2.646 1.00 5.23 O ATOM 0 H TYR A 69 4.849 -1.872 3.158 1.00 25.45 H new ATOM 0 HA TYR A 69 6.497 -3.152 1.258 1.00 30.14 H new ATOM 0 HB2 TYR A 69 5.561 -0.795 1.179 1.00 72.23 H new ATOM 0 HB3 TYR A 69 6.774 -0.333 2.356 1.00 72.23 H new ATOM 0 HD1 TYR A 69 6.282 -1.593 -1.102 1.00 51.51 H new ATOM 0 HD2 TYR A 69 9.089 0.004 1.685 1.00 3.32 H new ATOM 0 HE1 TYR A 69 7.906 -1.279 -2.915 1.00 74.22 H new ATOM 0 HE2 TYR A 69 10.718 0.303 -0.127 1.00 30.10 H new ATOM 0 HH TYR A 69 11.182 -0.704 -2.377 1.00 5.23 H new ATOM 1167 N LEU A 70 7.980 -2.278 4.087 1.00 30.34 N ATOM 1168 CA LEU A 70 9.137 -2.583 4.935 1.00 14.03 C ATOM 1169 C LEU A 70 9.278 -4.103 5.118 1.00 13.52 C ATOM 1170 O LEU A 70 10.379 -4.658 5.078 1.00 45.53 O ATOM 1171 CB LEU A 70 8.998 -1.890 6.299 1.00 63.31 C ATOM 1172 CG LEU A 70 8.915 -0.353 6.248 1.00 0.43 C ATOM 1173 CD1 LEU A 70 8.741 0.226 7.649 1.00 32.42 C ATOM 1174 CD2 LEU A 70 10.153 0.232 5.568 1.00 33.42 C ATOM 0 H LEU A 70 7.271 -1.697 4.534 1.00 30.34 H new ATOM 0 HA LEU A 70 10.036 -2.207 4.446 1.00 14.03 H new ATOM 0 HB2 LEU A 70 8.103 -2.270 6.792 1.00 63.31 H new ATOM 0 HB3 LEU A 70 9.848 -2.172 6.920 1.00 63.31 H new ATOM 0 HG LEU A 70 8.041 -0.078 5.658 1.00 0.43 H new ATOM 0 HD11 LEU A 70 8.685 1.313 7.589 1.00 32.42 H new ATOM 0 HD12 LEU A 70 7.823 -0.161 8.091 1.00 32.42 H new ATOM 0 HD13 LEU A 70 9.591 -0.060 8.269 1.00 32.42 H new ATOM 0 HD21 LEU A 70 10.075 1.319 5.542 1.00 33.42 H new ATOM 0 HD22 LEU A 70 11.044 -0.054 6.126 1.00 33.42 H new ATOM 0 HD23 LEU A 70 10.224 -0.151 4.550 1.00 33.42 H new ATOM 1186 N LYS A 71 8.140 -4.776 5.289 1.00 71.44 N ATOM 1187 CA LYS A 71 8.111 -6.236 5.376 1.00 35.13 C ATOM 1188 C LYS A 71 8.545 -6.861 4.036 1.00 32.14 C ATOM 1189 O LYS A 71 9.149 -7.933 4.003 1.00 12.43 O ATOM 1190 CB LYS A 71 6.706 -6.718 5.767 1.00 2.22 C ATOM 1191 CG LYS A 71 6.639 -8.201 6.126 1.00 12.14 C ATOM 1192 CD LYS A 71 5.210 -8.659 6.423 1.00 22.21 C ATOM 1193 CE LYS A 71 4.593 -7.913 7.602 1.00 43.31 C ATOM 1194 NZ LYS A 71 3.209 -8.380 7.890 1.00 44.41 N ATOM 0 H LYS A 71 7.225 -4.333 5.370 1.00 71.44 H new ATOM 0 HA LYS A 71 8.812 -6.555 6.147 1.00 35.13 H new ATOM 0 HB2 LYS A 71 6.355 -6.132 6.616 1.00 2.22 H new ATOM 0 HB3 LYS A 71 6.022 -6.523 4.941 1.00 2.22 H new ATOM 0 HG2 LYS A 71 7.044 -8.791 5.304 1.00 12.14 H new ATOM 0 HG3 LYS A 71 7.268 -8.391 6.996 1.00 12.14 H new ATOM 0 HD2 LYS A 71 4.592 -8.509 5.538 1.00 22.21 H new ATOM 0 HD3 LYS A 71 5.211 -9.728 6.633 1.00 22.21 H new ATOM 0 HE2 LYS A 71 5.215 -8.053 8.486 1.00 43.31 H new ATOM 0 HE3 LYS A 71 4.579 -6.844 7.388 1.00 43.31 H new ATOM 0 HZ1 LYS A 71 2.824 -7.849 8.697 1.00 44.41 H new ATOM 0 HZ2 LYS A 71 2.609 -8.223 7.055 1.00 44.41 H new ATOM 0 HZ3 LYS A 71 3.225 -9.394 8.119 1.00 44.41 H new ATOM 1208 N LEU A 72 8.241 -6.169 2.935 1.00 40.03 N ATOM 1209 CA LEU A 72 8.682 -6.589 1.598 1.00 45.24 C ATOM 1210 C LEU A 72 10.207 -6.463 1.460 1.00 31.23 C ATOM 1211 O LEU A 72 10.854 -7.307 0.842 1.00 64.44 O ATOM 1212 CB LEU A 72 7.985 -5.743 0.519 1.00 71.44 C ATOM 1213 CG LEU A 72 8.401 -6.041 -0.935 1.00 2.23 C ATOM 1214 CD1 LEU A 72 8.104 -7.496 -1.299 1.00 11.50 C ATOM 1215 CD2 LEU A 72 7.701 -5.088 -1.903 1.00 52.22 C ATOM 0 H LEU A 72 7.689 -5.311 2.941 1.00 40.03 H new ATOM 0 HA LEU A 72 8.409 -7.636 1.463 1.00 45.24 H new ATOM 0 HB2 LEU A 72 6.909 -5.890 0.607 1.00 71.44 H new ATOM 0 HB3 LEU A 72 8.181 -4.691 0.725 1.00 71.44 H new ATOM 0 HG LEU A 72 9.476 -5.884 -1.019 1.00 2.23 H new ATOM 0 HD11 LEU A 72 8.406 -7.682 -2.330 1.00 11.50 H new ATOM 0 HD12 LEU A 72 8.658 -8.158 -0.633 1.00 11.50 H new ATOM 0 HD13 LEU A 72 7.036 -7.687 -1.194 1.00 11.50 H new ATOM 0 HD21 LEU A 72 8.009 -5.315 -2.924 1.00 52.22 H new ATOM 0 HD22 LEU A 72 6.621 -5.207 -1.814 1.00 52.22 H new ATOM 0 HD23 LEU A 72 7.973 -4.060 -1.663 1.00 52.22 H new ATOM 1227 N GLN A 73 10.779 -5.413 2.052 1.00 73.10 N ATOM 1228 CA GLN A 73 12.233 -5.212 2.023 1.00 62.30 C ATOM 1229 C GLN A 73 12.969 -6.380 2.702 1.00 71.25 C ATOM 1230 O GLN A 73 14.014 -6.821 2.230 1.00 4.43 O ATOM 1231 CB GLN A 73 12.612 -3.880 2.686 1.00 30.33 C ATOM 1232 CG GLN A 73 11.964 -2.662 2.033 1.00 32.51 C ATOM 1233 CD GLN A 73 12.220 -2.587 0.535 1.00 43.52 C ATOM 1234 OE1 GLN A 73 13.209 -2.020 0.086 1.00 63.02 O ATOM 1235 NE2 GLN A 73 11.325 -3.152 -0.251 1.00 33.41 N ATOM 0 H GLN A 73 10.263 -4.691 2.555 1.00 73.10 H new ATOM 0 HA GLN A 73 12.543 -5.179 0.979 1.00 62.30 H new ATOM 0 HB2 GLN A 73 12.325 -3.913 3.737 1.00 30.33 H new ATOM 0 HB3 GLN A 73 13.695 -3.764 2.655 1.00 30.33 H new ATOM 0 HG2 GLN A 73 10.889 -2.689 2.212 1.00 32.51 H new ATOM 0 HG3 GLN A 73 12.343 -1.757 2.507 1.00 32.51 H new ATOM 0 HE21 GLN A 73 10.512 -3.617 0.153 1.00 33.41 H new ATOM 0 HE22 GLN A 73 11.446 -3.125 -1.263 1.00 33.41 H new