USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 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 28 TYR OH : rot 180:sc= 0.158 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 158:sc= 0.809 (180deg=-0.122) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 19 LYS NZ :NH3+ 127:sc= 1.32 (180deg=-0.0697) USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 27 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.5!) USER MOD Single : A 34 SER OG : rot -12:sc= 0.914 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -178:sc= -1.05 (180deg=-1.1) USER MOD Single : A 38 ASN : amide:sc= 0.0649 X(o=0.065,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.363 K(o=-0.36,f=-0.87) USER MOD Single : A 41 CYS SG : rot 149:sc= 0.114 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.047 (180deg=-0.334) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00422 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.497 USER MOD Single : A 51 SER OG : rot 71:sc= 0.733 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 1.28 (180deg=0.858) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc=-0.00657 (180deg=-0.164) USER MOD Single : A 58 THR OG1 : rot 154:sc= 0.414 USER MOD Single : A 67 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 73 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.599 6.174 -2.084 1.00 40.41 N ATOM 220 CA ILE A 15 10.297 5.917 -2.713 1.00 24.52 C ATOM 221 C ILE A 15 9.171 6.664 -1.975 1.00 12.11 C ATOM 222 O ILE A 15 9.231 6.846 -0.757 1.00 25.12 O ATOM 223 CB ILE A 15 9.981 4.389 -2.734 1.00 3.45 C ATOM 224 CG1 ILE A 15 10.965 3.642 -3.653 1.00 75.21 C ATOM 225 CG2 ILE A 15 8.544 4.129 -3.172 1.00 1.34 C ATOM 226 CD1 ILE A 15 10.717 2.149 -3.744 1.00 14.44 C ATOM 0 HA ILE A 15 10.351 6.283 -3.738 1.00 24.52 H new ATOM 0 HB ILE A 15 10.099 4.012 -1.718 1.00 3.45 H new ATOM 0 HG12 ILE A 15 10.907 4.070 -4.654 1.00 75.21 H new ATOM 0 HG13 ILE A 15 11.980 3.809 -3.293 1.00 75.21 H new ATOM 0 HG21 ILE A 15 8.354 3.056 -3.177 1.00 1.34 H new ATOM 0 HG22 ILE A 15 7.858 4.616 -2.478 1.00 1.34 H new ATOM 0 HG23 ILE A 15 8.391 4.529 -4.174 1.00 1.34 H new ATOM 0 HD11 ILE A 15 11.452 1.698 -4.410 1.00 14.44 H new ATOM 0 HD12 ILE A 15 10.805 1.705 -2.753 1.00 14.44 H new ATOM 0 HD13 ILE A 15 9.715 1.970 -4.135 1.00 14.44 H new ATOM 238 N THR A 16 8.157 7.117 -2.719 1.00 51.24 N ATOM 239 CA THR A 16 6.990 7.785 -2.119 1.00 62.32 C ATOM 240 C THR A 16 5.774 6.854 -2.086 1.00 50.10 C ATOM 241 O THR A 16 5.768 5.807 -2.731 1.00 24.20 O ATOM 242 CB THR A 16 6.598 9.076 -2.879 1.00 54.33 C ATOM 243 OG1 THR A 16 6.054 8.755 -4.170 1.00 24.22 O ATOM 244 CG2 THR A 16 7.800 10.004 -3.043 1.00 54.55 C ATOM 0 H THR A 16 8.117 7.035 -3.735 1.00 51.24 H new ATOM 0 HA THR A 16 7.285 8.049 -1.103 1.00 62.32 H new ATOM 0 HB THR A 16 5.840 9.591 -2.289 1.00 54.33 H new ATOM 0 HG1 THR A 16 5.810 9.581 -4.637 1.00 24.22 H new ATOM 0 HG21 THR A 16 7.496 10.902 -3.580 1.00 54.55 H new ATOM 0 HG22 THR A 16 8.183 10.281 -2.061 1.00 54.55 H new ATOM 0 HG23 THR A 16 8.581 9.492 -3.606 1.00 54.55 H new ATOM 252 N LEU A 17 4.740 7.258 -1.347 1.00 51.33 N ATOM 253 CA LEU A 17 3.521 6.447 -1.162 1.00 15.45 C ATOM 254 C LEU A 17 2.969 5.875 -2.485 1.00 63.22 C ATOM 255 O LEU A 17 2.544 4.720 -2.538 1.00 34.33 O ATOM 256 CB LEU A 17 2.441 7.286 -0.459 1.00 54.14 C ATOM 257 CG LEU A 17 1.108 6.562 -0.180 1.00 62.43 C ATOM 258 CD1 LEU A 17 1.319 5.340 0.708 1.00 33.22 C ATOM 259 CD2 LEU A 17 0.098 7.518 0.451 1.00 0.53 C ATOM 0 H LEU A 17 4.717 8.153 -0.858 1.00 51.33 H new ATOM 0 HA LEU A 17 3.797 5.593 -0.543 1.00 15.45 H new ATOM 0 HB2 LEU A 17 2.844 7.644 0.488 1.00 54.14 H new ATOM 0 HB3 LEU A 17 2.235 8.165 -1.070 1.00 54.14 H new ATOM 0 HG LEU A 17 0.708 6.217 -1.134 1.00 62.43 H new ATOM 0 HD11 LEU A 17 0.362 4.851 0.887 1.00 33.22 H new ATOM 0 HD12 LEU A 17 1.996 4.643 0.213 1.00 33.22 H new ATOM 0 HD13 LEU A 17 1.751 5.652 1.659 1.00 33.22 H new ATOM 0 HD21 LEU A 17 -0.836 6.988 0.640 1.00 0.53 H new ATOM 0 HD22 LEU A 17 0.496 7.899 1.392 1.00 0.53 H new ATOM 0 HD23 LEU A 17 -0.088 8.350 -0.228 1.00 0.53 H new ATOM 271 N GLN A 18 2.977 6.679 -3.549 1.00 51.13 N ATOM 272 CA GLN A 18 2.492 6.229 -4.863 1.00 60.34 C ATOM 273 C GLN A 18 3.290 5.015 -5.371 1.00 73.33 C ATOM 274 O GLN A 18 2.736 3.931 -5.576 1.00 53.42 O ATOM 275 CB GLN A 18 2.589 7.363 -5.893 1.00 24.42 C ATOM 276 CG GLN A 18 2.074 6.977 -7.281 1.00 65.40 C ATOM 277 CD GLN A 18 2.366 8.027 -8.340 1.00 74.02 C ATOM 278 OE1 GLN A 18 2.444 9.217 -8.051 1.00 42.22 O ATOM 279 NE2 GLN A 18 2.536 7.593 -9.572 1.00 45.34 N ATOM 0 H GLN A 18 3.312 7.642 -3.531 1.00 51.13 H new ATOM 0 HA GLN A 18 1.449 5.936 -4.740 1.00 60.34 H new ATOM 0 HB2 GLN A 18 2.023 8.221 -5.530 1.00 24.42 H new ATOM 0 HB3 GLN A 18 3.629 7.679 -5.976 1.00 24.42 H new ATOM 0 HG2 GLN A 18 2.528 6.032 -7.580 1.00 65.40 H new ATOM 0 HG3 GLN A 18 0.998 6.812 -7.229 1.00 65.40 H new ATOM 0 HE21 GLN A 18 2.464 6.596 -9.776 1.00 45.34 H new ATOM 0 HE22 GLN A 18 2.740 8.254 -10.322 1.00 45.34 H new ATOM 288 N LYS A 19 4.593 5.207 -5.566 1.00 44.11 N ATOM 289 CA LYS A 19 5.470 4.143 -6.078 1.00 74.41 C ATOM 290 C LYS A 19 5.538 2.958 -5.099 1.00 12.33 C ATOM 291 O LYS A 19 5.637 1.801 -5.511 1.00 21.44 O ATOM 292 CB LYS A 19 6.873 4.711 -6.345 1.00 75.50 C ATOM 293 CG LYS A 19 7.898 3.688 -6.832 1.00 13.30 C ATOM 294 CD LYS A 19 7.456 2.983 -8.113 1.00 25.14 C ATOM 295 CE LYS A 19 8.556 2.088 -8.668 1.00 72.10 C ATOM 296 NZ LYS A 19 8.088 1.284 -9.826 1.00 50.01 N ATOM 0 H LYS A 19 5.070 6.089 -5.378 1.00 44.11 H new ATOM 0 HA LYS A 19 5.054 3.770 -7.014 1.00 74.41 H new ATOM 0 HB2 LYS A 19 6.793 5.505 -7.087 1.00 75.50 H new ATOM 0 HB3 LYS A 19 7.245 5.168 -5.428 1.00 75.50 H new ATOM 0 HG2 LYS A 19 8.851 4.188 -7.006 1.00 13.30 H new ATOM 0 HG3 LYS A 19 8.065 2.946 -6.051 1.00 13.30 H new ATOM 0 HD2 LYS A 19 6.567 2.386 -7.912 1.00 25.14 H new ATOM 0 HD3 LYS A 19 7.179 3.726 -8.861 1.00 25.14 H new ATOM 0 HE2 LYS A 19 9.404 2.702 -8.972 1.00 72.10 H new ATOM 0 HE3 LYS A 19 8.911 1.420 -7.883 1.00 72.10 H new ATOM 0 HZ1 LYS A 19 8.734 1.424 -10.629 1.00 50.01 H new ATOM 0 HZ2 LYS A 19 8.072 0.277 -9.566 1.00 50.01 H new ATOM 0 HZ3 LYS A 19 7.130 1.587 -10.095 1.00 50.01 H new ATOM 310 N LEU A 20 5.470 3.262 -3.804 1.00 31.43 N ATOM 311 CA LEU A 20 5.449 2.239 -2.754 1.00 4.13 C ATOM 312 C LEU A 20 4.239 1.308 -2.941 1.00 21.04 C ATOM 313 O LEU A 20 4.390 0.092 -3.081 1.00 3.24 O ATOM 314 CB LEU A 20 5.431 2.933 -1.375 1.00 13.24 C ATOM 315 CG LEU A 20 5.598 2.021 -0.139 1.00 35.41 C ATOM 316 CD1 LEU A 20 6.167 2.808 1.041 1.00 51.14 C ATOM 317 CD2 LEU A 20 4.271 1.377 0.260 1.00 52.33 C ATOM 0 H LEU A 20 5.428 4.218 -3.452 1.00 31.43 H new ATOM 0 HA LEU A 20 6.344 1.620 -2.817 1.00 4.13 H new ATOM 0 HB2 LEU A 20 6.226 3.678 -1.358 1.00 13.24 H new ATOM 0 HB3 LEU A 20 4.488 3.471 -1.277 1.00 13.24 H new ATOM 0 HG LEU A 20 6.297 1.230 -0.409 1.00 35.41 H new ATOM 0 HD11 LEU A 20 6.276 2.147 1.901 1.00 51.14 H new ATOM 0 HD12 LEU A 20 7.141 3.216 0.771 1.00 51.14 H new ATOM 0 HD13 LEU A 20 5.490 3.624 1.295 1.00 51.14 H new ATOM 0 HD21 LEU A 20 4.423 0.742 1.133 1.00 52.33 H new ATOM 0 HD22 LEU A 20 3.546 2.155 0.499 1.00 52.33 H new ATOM 0 HD23 LEU A 20 3.896 0.774 -0.567 1.00 52.33 H new ATOM 329 N LEU A 21 3.042 1.894 -2.969 1.00 50.34 N ATOM 330 CA LEU A 21 1.810 1.138 -3.209 1.00 54.43 C ATOM 331 C LEU A 21 1.857 0.415 -4.568 1.00 11.22 C ATOM 332 O LEU A 21 1.393 -0.720 -4.699 1.00 41.53 O ATOM 333 CB LEU A 21 0.593 2.075 -3.155 1.00 1.44 C ATOM 334 CG LEU A 21 -0.771 1.399 -3.379 1.00 62.51 C ATOM 335 CD1 LEU A 21 -1.066 0.380 -2.277 1.00 44.12 C ATOM 336 CD2 LEU A 21 -1.881 2.443 -3.468 1.00 25.31 C ATOM 0 H LEU A 21 2.898 2.894 -2.828 1.00 50.34 H new ATOM 0 HA LEU A 21 1.719 0.386 -2.425 1.00 54.43 H new ATOM 0 HB2 LEU A 21 0.579 2.569 -2.184 1.00 1.44 H new ATOM 0 HB3 LEU A 21 0.722 2.853 -3.907 1.00 1.44 H new ATOM 0 HG LEU A 21 -0.732 0.862 -4.327 1.00 62.51 H new ATOM 0 HD11 LEU A 21 -2.036 -0.083 -2.460 1.00 44.12 H new ATOM 0 HD12 LEU A 21 -0.292 -0.388 -2.275 1.00 44.12 H new ATOM 0 HD13 LEU A 21 -1.081 0.883 -1.310 1.00 44.12 H new ATOM 0 HD21 LEU A 21 -2.837 1.945 -3.627 1.00 25.31 H new ATOM 0 HD22 LEU A 21 -1.919 3.014 -2.540 1.00 25.31 H new ATOM 0 HD23 LEU A 21 -1.681 3.117 -4.301 1.00 25.31 H new ATOM 348 N THR A 22 2.431 1.077 -5.573 1.00 53.33 N ATOM 349 CA THR A 22 2.581 0.486 -6.913 1.00 3.02 C ATOM 350 C THR A 22 3.377 -0.827 -6.853 1.00 4.52 C ATOM 351 O THR A 22 2.960 -1.849 -7.403 1.00 4.30 O ATOM 352 CB THR A 22 3.282 1.458 -7.898 1.00 32.43 C ATOM 353 OG1 THR A 22 2.533 2.680 -8.006 1.00 52.33 O ATOM 354 CG2 THR A 22 3.429 0.839 -9.285 1.00 2.02 C ATOM 0 H THR A 22 2.802 2.024 -5.489 1.00 53.33 H new ATOM 0 HA THR A 22 1.574 0.285 -7.278 1.00 3.02 H new ATOM 0 HB THR A 22 4.276 1.664 -7.502 1.00 32.43 H new ATOM 0 HG1 THR A 22 2.627 3.196 -7.178 1.00 52.33 H new ATOM 0 HG21 THR A 22 3.924 1.548 -9.949 1.00 2.02 H new ATOM 0 HG22 THR A 22 4.025 -0.071 -9.216 1.00 2.02 H new ATOM 0 HG23 THR A 22 2.443 0.598 -9.682 1.00 2.02 H new ATOM 362 N GLU A 23 4.517 -0.793 -6.161 1.00 31.12 N ATOM 363 CA GLU A 23 5.344 -1.991 -5.965 1.00 71.15 C ATOM 364 C GLU A 23 4.578 -3.079 -5.201 1.00 22.21 C ATOM 365 O GLU A 23 4.745 -4.268 -5.465 1.00 41.55 O ATOM 366 CB GLU A 23 6.641 -1.638 -5.219 1.00 34.13 C ATOM 367 CG GLU A 23 7.615 -0.800 -6.039 1.00 20.21 C ATOM 368 CD GLU A 23 8.058 -1.497 -7.317 1.00 53.40 C ATOM 369 OE1 GLU A 23 8.719 -2.554 -7.226 1.00 64.21 O ATOM 370 OE2 GLU A 23 7.756 -0.989 -8.421 1.00 14.42 O ATOM 0 H GLU A 23 4.891 0.050 -5.726 1.00 31.12 H new ATOM 0 HA GLU A 23 5.598 -2.381 -6.951 1.00 71.15 H new ATOM 0 HB2 GLU A 23 6.389 -1.096 -4.307 1.00 34.13 H new ATOM 0 HB3 GLU A 23 7.136 -2.560 -4.915 1.00 34.13 H new ATOM 0 HG2 GLU A 23 7.146 0.151 -6.292 1.00 20.21 H new ATOM 0 HG3 GLU A 23 8.491 -0.571 -5.432 1.00 20.21 H new ATOM 377 N LEU A 24 3.739 -2.672 -4.260 1.00 41.13 N ATOM 378 CA LEU A 24 2.921 -3.624 -3.502 1.00 75.53 C ATOM 379 C LEU A 24 1.892 -4.315 -4.408 1.00 13.35 C ATOM 380 O LEU A 24 1.650 -5.514 -4.285 1.00 21.13 O ATOM 381 CB LEU A 24 2.224 -2.917 -2.339 1.00 52.24 C ATOM 382 CG LEU A 24 3.165 -2.231 -1.339 1.00 13.44 C ATOM 383 CD1 LEU A 24 2.374 -1.642 -0.177 1.00 74.21 C ATOM 384 CD2 LEU A 24 4.232 -3.206 -0.841 1.00 74.32 C ATOM 0 H LEU A 24 3.603 -1.695 -3.999 1.00 41.13 H new ATOM 0 HA LEU A 24 3.581 -4.392 -3.100 1.00 75.53 H new ATOM 0 HB2 LEU A 24 1.542 -2.170 -2.744 1.00 52.24 H new ATOM 0 HB3 LEU A 24 1.616 -3.646 -1.802 1.00 52.24 H new ATOM 0 HG LEU A 24 3.673 -1.413 -1.850 1.00 13.44 H new ATOM 0 HD11 LEU A 24 3.058 -1.160 0.521 1.00 74.21 H new ATOM 0 HD12 LEU A 24 1.664 -0.907 -0.556 1.00 74.21 H new ATOM 0 HD13 LEU A 24 1.833 -2.438 0.335 1.00 74.21 H new ATOM 0 HD21 LEU A 24 4.887 -2.698 -0.134 1.00 74.32 H new ATOM 0 HD22 LEU A 24 3.751 -4.051 -0.348 1.00 74.32 H new ATOM 0 HD23 LEU A 24 4.819 -3.565 -1.686 1.00 74.32 H new ATOM 396 N VAL A 25 1.297 -3.557 -5.327 1.00 51.44 N ATOM 397 CA VAL A 25 0.375 -4.124 -6.321 1.00 23.21 C ATOM 398 C VAL A 25 1.112 -5.081 -7.273 1.00 72.41 C ATOM 399 O VAL A 25 0.583 -6.122 -7.667 1.00 42.22 O ATOM 400 CB VAL A 25 -0.325 -3.013 -7.150 1.00 62.04 C ATOM 401 CG1 VAL A 25 -1.269 -3.617 -8.191 1.00 63.35 C ATOM 402 CG2 VAL A 25 -1.079 -2.048 -6.234 1.00 71.02 C ATOM 0 H VAL A 25 1.434 -2.549 -5.408 1.00 51.44 H new ATOM 0 HA VAL A 25 -0.384 -4.679 -5.769 1.00 23.21 H new ATOM 0 HB VAL A 25 0.446 -2.453 -7.679 1.00 62.04 H new ATOM 0 HG11 VAL A 25 -1.746 -2.817 -8.757 1.00 63.35 H new ATOM 0 HG12 VAL A 25 -0.702 -4.254 -8.870 1.00 63.35 H new ATOM 0 HG13 VAL A 25 -2.033 -4.211 -7.689 1.00 63.35 H new ATOM 0 HG21 VAL A 25 -1.562 -1.278 -6.835 1.00 71.02 H new ATOM 0 HG22 VAL A 25 -1.835 -2.596 -5.671 1.00 71.02 H new ATOM 0 HG23 VAL A 25 -0.378 -1.581 -5.541 1.00 71.02 H new ATOM 412 N GLU A 26 2.334 -4.711 -7.644 1.00 24.41 N ATOM 413 CA GLU A 26 3.175 -5.528 -8.516 1.00 31.34 C ATOM 414 C GLU A 26 3.585 -6.844 -7.829 1.00 54.22 C ATOM 415 O GLU A 26 3.324 -7.932 -8.341 1.00 71.22 O ATOM 416 CB GLU A 26 4.419 -4.708 -8.904 1.00 30.45 C ATOM 417 CG GLU A 26 5.152 -5.190 -10.153 1.00 22.42 C ATOM 418 CD GLU A 26 5.870 -6.524 -9.980 1.00 65.34 C ATOM 419 OE1 GLU A 26 6.778 -6.613 -9.129 1.00 1.12 O ATOM 420 OE2 GLU A 26 5.528 -7.492 -10.695 1.00 33.42 O ATOM 0 H GLU A 26 2.770 -3.837 -7.349 1.00 24.41 H new ATOM 0 HA GLU A 26 2.611 -5.796 -9.410 1.00 31.34 H new ATOM 0 HB2 GLU A 26 4.118 -3.671 -9.056 1.00 30.45 H new ATOM 0 HB3 GLU A 26 5.117 -4.718 -8.066 1.00 30.45 H new ATOM 0 HG2 GLU A 26 4.436 -5.279 -10.970 1.00 22.42 H new ATOM 0 HG3 GLU A 26 5.880 -4.434 -10.448 1.00 22.42 H new ATOM 427 N HIS A 27 4.214 -6.734 -6.658 1.00 63.32 N ATOM 428 CA HIS A 27 4.768 -7.900 -5.955 1.00 31.03 C ATOM 429 C HIS A 27 3.686 -8.702 -5.202 1.00 51.15 C ATOM 430 O HIS A 27 3.684 -9.931 -5.241 1.00 40.24 O ATOM 431 CB HIS A 27 5.877 -7.461 -4.985 1.00 45.11 C ATOM 432 CG HIS A 27 7.023 -6.749 -5.653 1.00 1.54 C ATOM 433 ND1 HIS A 27 7.970 -7.393 -6.419 1.00 21.24 N ATOM 434 CD2 HIS A 27 7.370 -5.439 -5.668 1.00 41.44 C ATOM 435 CE1 HIS A 27 8.841 -6.515 -6.875 1.00 55.11 C ATOM 436 NE2 HIS A 27 8.501 -5.320 -6.435 1.00 53.14 N ATOM 0 H HIS A 27 4.355 -5.848 -6.172 1.00 63.32 H new ATOM 0 HA HIS A 27 5.190 -8.561 -6.712 1.00 31.03 H new ATOM 0 HB2 HIS A 27 5.446 -6.806 -4.228 1.00 45.11 H new ATOM 0 HB3 HIS A 27 6.261 -8.339 -4.465 1.00 45.11 H new ATOM 0 HD2 HIS A 27 6.851 -4.635 -5.167 1.00 41.44 H new ATOM 0 HE1 HIS A 27 9.691 -6.737 -7.504 1.00 55.11 H new ATOM 0 HE2 HIS A 27 8.997 -4.451 -6.632 1.00 53.14 H new ATOM 445 N TYR A 28 2.777 -8.013 -4.511 1.00 15.03 N ATOM 446 CA TYR A 28 1.690 -8.692 -3.782 1.00 60.42 C ATOM 447 C TYR A 28 0.408 -8.801 -4.630 1.00 3.05 C ATOM 448 O TYR A 28 0.040 -9.886 -5.082 1.00 34.43 O ATOM 449 CB TYR A 28 1.364 -7.955 -2.470 1.00 13.42 C ATOM 450 CG TYR A 28 2.376 -8.153 -1.354 1.00 51.05 C ATOM 451 CD1 TYR A 28 2.357 -9.306 -0.578 1.00 62.04 C ATOM 452 CD2 TYR A 28 3.330 -7.183 -1.061 1.00 11.45 C ATOM 453 CE1 TYR A 28 3.252 -9.483 0.462 1.00 25.30 C ATOM 454 CE2 TYR A 28 4.233 -7.358 -0.024 1.00 21.21 C ATOM 455 CZ TYR A 28 4.188 -8.512 0.733 1.00 73.14 C ATOM 456 OH TYR A 28 5.071 -8.688 1.778 1.00 51.31 O ATOM 0 H TYR A 28 2.766 -6.996 -4.437 1.00 15.03 H new ATOM 0 HA TYR A 28 2.045 -9.698 -3.559 1.00 60.42 H new ATOM 0 HB2 TYR A 28 1.282 -6.889 -2.681 1.00 13.42 H new ATOM 0 HB3 TYR A 28 0.387 -8.287 -2.118 1.00 13.42 H new ATOM 0 HD1 TYR A 28 1.631 -10.077 -0.791 1.00 62.04 H new ATOM 0 HD2 TYR A 28 3.367 -6.279 -1.651 1.00 11.45 H new ATOM 0 HE1 TYR A 28 3.216 -10.382 1.060 1.00 25.30 H new ATOM 0 HE2 TYR A 28 4.968 -6.596 0.191 1.00 21.21 H new ATOM 0 HH TYR A 28 5.668 -7.913 1.836 1.00 51.31 H new ATOM 466 N GLY A 29 -0.259 -7.667 -4.849 1.00 33.55 N ATOM 467 CA GLY A 29 -1.542 -7.658 -5.555 1.00 2.23 C ATOM 468 C GLY A 29 -2.681 -7.087 -4.706 1.00 4.22 C ATOM 469 O GLY A 29 -2.647 -7.175 -3.478 1.00 33.00 O ATOM 0 H GLY A 29 0.065 -6.747 -4.550 1.00 33.55 H new ATOM 0 HA2 GLY A 29 -1.445 -7.070 -6.468 1.00 2.23 H new ATOM 0 HA3 GLY A 29 -1.793 -8.675 -5.856 1.00 2.23 H new ATOM 473 N TRP A 30 -3.701 -6.517 -5.361 1.00 13.12 N ATOM 474 CA TRP A 30 -4.817 -5.849 -4.659 1.00 74.10 C ATOM 475 C TRP A 30 -5.454 -6.741 -3.576 1.00 53.31 C ATOM 476 O TRP A 30 -5.670 -6.305 -2.441 1.00 0.11 O ATOM 477 CB TRP A 30 -5.900 -5.417 -5.659 1.00 70.05 C ATOM 478 CG TRP A 30 -5.426 -4.416 -6.670 1.00 63.35 C ATOM 479 CD1 TRP A 30 -5.148 -4.650 -7.984 1.00 61.45 C ATOM 480 CD2 TRP A 30 -5.178 -3.023 -6.448 1.00 3.04 C ATOM 481 NE1 TRP A 30 -4.741 -3.490 -8.592 1.00 52.53 N ATOM 482 CE2 TRP A 30 -4.748 -2.477 -7.670 1.00 0.24 C ATOM 483 CE3 TRP A 30 -5.274 -2.187 -5.331 1.00 54.41 C ATOM 484 CZ2 TRP A 30 -4.419 -1.133 -7.810 1.00 12.20 C ATOM 485 CZ3 TRP A 30 -4.947 -0.853 -5.469 1.00 23.44 C ATOM 486 CH2 TRP A 30 -4.522 -0.336 -6.701 1.00 21.11 C ATOM 0 H TRP A 30 -3.781 -6.503 -6.378 1.00 13.12 H new ATOM 0 HA TRP A 30 -4.393 -4.975 -4.165 1.00 74.10 H new ATOM 0 HB2 TRP A 30 -6.272 -6.299 -6.181 1.00 70.05 H new ATOM 0 HB3 TRP A 30 -6.741 -4.994 -5.109 1.00 70.05 H new ATOM 0 HD1 TRP A 30 -5.235 -5.608 -8.474 1.00 61.45 H new ATOM 0 HE1 TRP A 30 -4.476 -3.397 -9.573 1.00 52.53 H new ATOM 0 HE3 TRP A 30 -5.598 -2.578 -4.378 1.00 54.41 H new ATOM 0 HZ2 TRP A 30 -4.094 -0.732 -8.759 1.00 12.20 H new ATOM 0 HZ3 TRP A 30 -5.020 -0.197 -4.614 1.00 23.44 H new ATOM 0 HH2 TRP A 30 -4.271 0.712 -6.777 1.00 21.11 H new ATOM 497 N GLU A 31 -5.749 -7.987 -3.936 1.00 5.52 N ATOM 498 CA GLU A 31 -6.386 -8.940 -3.017 1.00 64.52 C ATOM 499 C GLU A 31 -5.513 -9.180 -1.775 1.00 51.30 C ATOM 500 O GLU A 31 -5.993 -9.136 -0.640 1.00 75.24 O ATOM 501 CB GLU A 31 -6.644 -10.264 -3.750 1.00 20.12 C ATOM 502 CG GLU A 31 -7.487 -10.104 -5.015 1.00 23.21 C ATOM 503 CD GLU A 31 -7.448 -11.335 -5.905 1.00 20.20 C ATOM 504 OE1 GLU A 31 -6.451 -11.503 -6.643 1.00 15.31 O ATOM 505 OE2 GLU A 31 -8.400 -12.143 -5.866 1.00 34.44 O ATOM 0 H GLU A 31 -5.558 -8.367 -4.863 1.00 5.52 H new ATOM 0 HA GLU A 31 -7.334 -8.519 -2.682 1.00 64.52 H new ATOM 0 HB2 GLU A 31 -5.688 -10.717 -4.014 1.00 20.12 H new ATOM 0 HB3 GLU A 31 -7.147 -10.954 -3.072 1.00 20.12 H new ATOM 0 HG2 GLU A 31 -8.520 -9.896 -4.735 1.00 23.21 H new ATOM 0 HG3 GLU A 31 -7.130 -9.242 -5.578 1.00 23.21 H new ATOM 512 N GLU A 32 -4.222 -9.405 -2.004 1.00 0.34 N ATOM 513 CA GLU A 32 -3.255 -9.622 -0.922 1.00 4.35 C ATOM 514 C GLU A 32 -3.143 -8.383 -0.020 1.00 35.33 C ATOM 515 O GLU A 32 -2.988 -8.499 1.198 1.00 4.24 O ATOM 516 CB GLU A 32 -1.879 -9.989 -1.511 1.00 1.01 C ATOM 517 CG GLU A 32 -1.801 -11.404 -2.097 1.00 31.23 C ATOM 518 CD GLU A 32 -2.960 -11.741 -3.028 1.00 3.41 C ATOM 519 OE1 GLU A 32 -3.079 -11.106 -4.100 1.00 11.54 O ATOM 520 OE2 GLU A 32 -3.769 -12.629 -2.683 1.00 2.25 O ATOM 0 H GLU A 32 -3.814 -9.443 -2.938 1.00 0.34 H new ATOM 0 HA GLU A 32 -3.609 -10.449 -0.307 1.00 4.35 H new ATOM 0 HB2 GLU A 32 -1.627 -9.271 -2.291 1.00 1.01 H new ATOM 0 HB3 GLU A 32 -1.124 -9.889 -0.731 1.00 1.01 H new ATOM 0 HG2 GLU A 32 -0.864 -11.512 -2.643 1.00 31.23 H new ATOM 0 HG3 GLU A 32 -1.779 -12.126 -1.281 1.00 31.23 H new ATOM 527 N LEU A 33 -3.240 -7.198 -0.620 1.00 53.24 N ATOM 528 CA LEU A 33 -3.223 -5.944 0.140 1.00 43.22 C ATOM 529 C LEU A 33 -4.438 -5.852 1.076 1.00 64.31 C ATOM 530 O LEU A 33 -4.297 -5.571 2.267 1.00 73.21 O ATOM 531 CB LEU A 33 -3.193 -4.740 -0.813 1.00 30.11 C ATOM 532 CG LEU A 33 -1.973 -4.675 -1.751 1.00 4.21 C ATOM 533 CD1 LEU A 33 -2.031 -3.433 -2.638 1.00 44.42 C ATOM 534 CD2 LEU A 33 -0.673 -4.717 -0.949 1.00 62.43 C ATOM 0 H LEU A 33 -3.331 -7.077 -1.629 1.00 53.24 H new ATOM 0 HA LEU A 33 -2.320 -5.931 0.751 1.00 43.22 H new ATOM 0 HB2 LEU A 33 -4.098 -4.756 -1.421 1.00 30.11 H new ATOM 0 HB3 LEU A 33 -3.224 -3.826 -0.219 1.00 30.11 H new ATOM 0 HG LEU A 33 -1.997 -5.549 -2.401 1.00 4.21 H new ATOM 0 HD11 LEU A 33 -1.158 -3.411 -3.291 1.00 44.42 H new ATOM 0 HD12 LEU A 33 -2.937 -3.461 -3.244 1.00 44.42 H new ATOM 0 HD13 LEU A 33 -2.040 -2.540 -2.013 1.00 44.42 H new ATOM 0 HD21 LEU A 33 0.177 -4.670 -1.630 1.00 62.43 H new ATOM 0 HD22 LEU A 33 -0.639 -3.867 -0.267 1.00 62.43 H new ATOM 0 HD23 LEU A 33 -0.628 -5.644 -0.377 1.00 62.43 H new ATOM 546 N SER A 34 -5.628 -6.122 0.532 1.00 33.43 N ATOM 547 CA SER A 34 -6.869 -6.116 1.328 1.00 35.41 C ATOM 548 C SER A 34 -6.909 -7.291 2.317 1.00 13.15 C ATOM 549 O SER A 34 -7.747 -7.329 3.216 1.00 72.31 O ATOM 550 CB SER A 34 -8.108 -6.171 0.415 1.00 21.03 C ATOM 551 OG SER A 34 -8.149 -7.368 -0.356 1.00 2.03 O ATOM 0 H SER A 34 -5.763 -6.348 -0.454 1.00 33.43 H new ATOM 0 HA SER A 34 -6.882 -5.185 1.894 1.00 35.41 H new ATOM 0 HB2 SER A 34 -9.010 -6.100 1.023 1.00 21.03 H new ATOM 0 HB3 SER A 34 -8.105 -5.309 -0.253 1.00 21.03 H new ATOM 0 HG SER A 34 -7.285 -7.827 -0.294 1.00 2.03 H new ATOM 557 N TYR A 35 -6.014 -8.260 2.128 1.00 13.02 N ATOM 558 CA TYR A 35 -5.894 -9.396 3.050 1.00 23.33 C ATOM 559 C TYR A 35 -5.037 -9.025 4.273 1.00 75.03 C ATOM 560 O TYR A 35 -5.428 -9.263 5.417 1.00 43.23 O ATOM 561 CB TYR A 35 -5.287 -10.608 2.325 1.00 23.24 C ATOM 562 CG TYR A 35 -5.267 -11.877 3.160 1.00 35.32 C ATOM 563 CD1 TYR A 35 -6.415 -12.649 3.305 1.00 44.44 C ATOM 564 CD2 TYR A 35 -4.106 -12.304 3.801 1.00 42.23 C ATOM 565 CE1 TYR A 35 -6.410 -13.804 4.064 1.00 22.12 C ATOM 566 CE2 TYR A 35 -4.096 -13.460 4.562 1.00 32.24 C ATOM 567 CZ TYR A 35 -5.249 -14.206 4.688 1.00 62.24 C ATOM 568 OH TYR A 35 -5.243 -15.362 5.440 1.00 12.53 O ATOM 0 H TYR A 35 -5.360 -8.284 1.346 1.00 13.02 H new ATOM 0 HA TYR A 35 -6.893 -9.656 3.400 1.00 23.33 H new ATOM 0 HB2 TYR A 35 -5.853 -10.794 1.412 1.00 23.24 H new ATOM 0 HB3 TYR A 35 -4.268 -10.366 2.024 1.00 23.24 H new ATOM 0 HD1 TYR A 35 -7.327 -12.340 2.816 1.00 44.44 H new ATOM 0 HD2 TYR A 35 -3.200 -11.724 3.703 1.00 42.23 H new ATOM 0 HE1 TYR A 35 -7.312 -14.389 4.168 1.00 22.12 H new ATOM 0 HE2 TYR A 35 -3.189 -13.777 5.055 1.00 32.24 H new ATOM 0 HH TYR A 35 -4.348 -15.506 5.812 1.00 12.53 H new ATOM 578 N MET A 36 -3.859 -8.449 4.018 1.00 31.23 N ATOM 579 CA MET A 36 -2.969 -7.984 5.093 1.00 13.04 C ATOM 580 C MET A 36 -3.574 -6.785 5.842 1.00 13.41 C ATOM 581 O MET A 36 -3.443 -6.668 7.064 1.00 32.14 O ATOM 582 CB MET A 36 -1.590 -7.618 4.519 1.00 41.04 C ATOM 583 CG MET A 36 -0.812 -8.823 4.000 1.00 41.01 C ATOM 584 SD MET A 36 0.731 -8.367 3.179 1.00 50.04 S ATOM 585 CE MET A 36 0.097 -7.500 1.743 1.00 21.34 C ATOM 0 H MET A 36 -3.497 -8.292 3.077 1.00 31.23 H new ATOM 0 HA MET A 36 -2.851 -8.798 5.809 1.00 13.04 H new ATOM 0 HB2 MET A 36 -1.721 -6.902 3.708 1.00 41.04 H new ATOM 0 HB3 MET A 36 -1.003 -7.121 5.291 1.00 41.04 H new ATOM 0 HG2 MET A 36 -0.591 -9.491 4.832 1.00 41.01 H new ATOM 0 HG3 MET A 36 -1.438 -9.379 3.302 1.00 41.01 H new ATOM 0 HE1 MET A 36 0.928 -7.184 1.112 1.00 21.34 H new ATOM 0 HE2 MET A 36 -0.557 -8.163 1.177 1.00 21.34 H new ATOM 0 HE3 MET A 36 -0.466 -6.625 2.066 1.00 21.34 H new ATOM 595 N VAL A 37 -4.230 -5.893 5.105 1.00 31.22 N ATOM 596 CA VAL A 37 -4.970 -4.773 5.704 1.00 23.30 C ATOM 597 C VAL A 37 -6.474 -4.964 5.476 1.00 34.23 C ATOM 598 O VAL A 37 -6.969 -4.754 4.367 1.00 1.33 O ATOM 599 CB VAL A 37 -4.541 -3.409 5.105 1.00 74.03 C ATOM 600 CG1 VAL A 37 -5.151 -2.251 5.894 1.00 15.35 C ATOM 601 CG2 VAL A 37 -3.023 -3.292 5.049 1.00 72.44 C ATOM 0 H VAL A 37 -4.267 -5.920 4.086 1.00 31.22 H new ATOM 0 HA VAL A 37 -4.743 -4.765 6.770 1.00 23.30 H new ATOM 0 HB VAL A 37 -4.919 -3.356 4.084 1.00 74.03 H new ATOM 0 HG11 VAL A 37 -4.835 -1.305 5.454 1.00 15.35 H new ATOM 0 HG12 VAL A 37 -6.238 -2.321 5.861 1.00 15.35 H new ATOM 0 HG13 VAL A 37 -4.815 -2.300 6.930 1.00 15.35 H new ATOM 0 HG21 VAL A 37 -2.748 -2.326 4.625 1.00 72.44 H new ATOM 0 HG22 VAL A 37 -2.614 -3.376 6.056 1.00 72.44 H new ATOM 0 HG23 VAL A 37 -2.619 -4.090 4.426 1.00 72.44 H new ATOM 611 N ASN A 38 -7.199 -5.360 6.520 1.00 32.45 N ATOM 612 CA ASN A 38 -8.618 -5.700 6.382 1.00 53.43 C ATOM 613 C ASN A 38 -9.487 -4.442 6.209 1.00 32.32 C ATOM 614 O ASN A 38 -10.194 -4.020 7.131 1.00 2.35 O ATOM 615 CB ASN A 38 -9.091 -6.522 7.588 1.00 34.51 C ATOM 616 CG ASN A 38 -10.454 -7.157 7.366 1.00 13.42 C ATOM 617 OD1 ASN A 38 -10.559 -8.274 6.871 1.00 44.00 O ATOM 618 ND2 ASN A 38 -11.510 -6.454 7.722 1.00 2.04 N ATOM 0 H ASN A 38 -6.832 -5.454 7.467 1.00 32.45 H new ATOM 0 HA ASN A 38 -8.730 -6.303 5.481 1.00 53.43 H new ATOM 0 HB2 ASN A 38 -8.361 -7.303 7.799 1.00 34.51 H new ATOM 0 HB3 ASN A 38 -9.133 -5.879 8.467 1.00 34.51 H new ATOM 0 HD21 ASN A 38 -12.446 -6.836 7.588 1.00 2.04 H new ATOM 0 HD22 ASN A 38 -11.391 -5.527 8.131 1.00 2.04 H new ATOM 625 N ILE A 39 -9.406 -3.828 5.030 1.00 71.21 N ATOM 626 CA ILE A 39 -10.216 -2.650 4.701 1.00 71.24 C ATOM 627 C ILE A 39 -10.836 -2.779 3.299 1.00 33.21 C ATOM 628 O ILE A 39 -10.181 -3.213 2.349 1.00 55.41 O ATOM 629 CB ILE A 39 -9.397 -1.329 4.784 1.00 41.25 C ATOM 630 CG1 ILE A 39 -8.222 -1.347 3.788 1.00 34.23 C ATOM 631 CG2 ILE A 39 -8.898 -1.090 6.212 1.00 20.25 C ATOM 632 CD1 ILE A 39 -7.381 -0.085 3.808 1.00 65.41 C ATOM 0 H ILE A 39 -8.783 -4.128 4.280 1.00 71.21 H new ATOM 0 HA ILE A 39 -11.010 -2.605 5.446 1.00 71.24 H new ATOM 0 HB ILE A 39 -10.056 -0.504 4.512 1.00 41.25 H new ATOM 0 HG12 ILE A 39 -7.583 -2.202 4.010 1.00 34.23 H new ATOM 0 HG13 ILE A 39 -8.614 -1.495 2.782 1.00 34.23 H new ATOM 0 HG21 ILE A 39 -8.328 -0.162 6.248 1.00 20.25 H new ATOM 0 HG22 ILE A 39 -9.750 -1.019 6.888 1.00 20.25 H new ATOM 0 HG23 ILE A 39 -8.260 -1.919 6.518 1.00 20.25 H new ATOM 0 HD11 ILE A 39 -6.574 -0.174 3.080 1.00 65.41 H new ATOM 0 HD12 ILE A 39 -8.005 0.772 3.555 1.00 65.41 H new ATOM 0 HD13 ILE A 39 -6.958 0.055 4.803 1.00 65.41 H new ATOM 644 N ASN A 40 -12.097 -2.379 3.169 1.00 15.41 N ATOM 645 CA ASN A 40 -12.831 -2.511 1.905 1.00 33.53 C ATOM 646 C ASN A 40 -12.369 -1.471 0.858 1.00 53.22 C ATOM 647 O ASN A 40 -12.882 -1.431 -0.256 1.00 53.21 O ATOM 648 CB ASN A 40 -14.340 -2.385 2.174 1.00 3.43 C ATOM 649 CG ASN A 40 -15.193 -2.790 0.983 1.00 72.12 C ATOM 650 OD1 ASN A 40 -15.582 -1.961 0.171 1.00 50.00 O ATOM 651 ND2 ASN A 40 -15.487 -4.073 0.869 1.00 12.12 N ATOM 0 H ASN A 40 -12.638 -1.958 3.924 1.00 15.41 H new ATOM 0 HA ASN A 40 -12.619 -3.495 1.487 1.00 33.53 H new ATOM 0 HB2 ASN A 40 -14.604 -3.006 3.030 1.00 3.43 H new ATOM 0 HB3 ASN A 40 -14.570 -1.355 2.445 1.00 3.43 H new ATOM 0 HD21 ASN A 40 -16.054 -4.399 0.086 1.00 12.12 H new ATOM 0 HD22 ASN A 40 -15.147 -4.738 1.564 1.00 12.12 H new ATOM 658 N CYS A 41 -11.375 -0.653 1.209 1.00 61.12 N ATOM 659 CA CYS A 41 -10.854 0.386 0.299 1.00 42.41 C ATOM 660 C CYS A 41 -10.449 -0.194 -1.067 1.00 52.10 C ATOM 661 O CYS A 41 -10.868 0.305 -2.111 1.00 25.30 O ATOM 662 CB CYS A 41 -9.650 1.097 0.929 1.00 5.12 C ATOM 663 SG CYS A 41 -8.924 2.386 -0.114 1.00 14.51 S ATOM 0 H CYS A 41 -10.910 -0.685 2.116 1.00 61.12 H new ATOM 0 HA CYS A 41 -11.660 1.102 0.138 1.00 42.41 H new ATOM 0 HB2 CYS A 41 -9.958 1.541 1.875 1.00 5.12 H new ATOM 0 HB3 CYS A 41 -8.884 0.357 1.159 1.00 5.12 H new ATOM 0 HG CYS A 41 -8.418 3.318 0.637 1.00 14.51 H new ATOM 669 N PHE A 42 -9.661 -1.273 -1.051 1.00 54.34 N ATOM 670 CA PHE A 42 -9.188 -1.908 -2.294 1.00 32.34 C ATOM 671 C PHE A 42 -10.330 -2.629 -3.039 1.00 63.52 C ATOM 672 O PHE A 42 -10.139 -3.148 -4.141 1.00 73.30 O ATOM 673 CB PHE A 42 -8.048 -2.895 -1.989 1.00 32.13 C ATOM 674 CG PHE A 42 -6.848 -2.249 -1.325 1.00 44.03 C ATOM 675 CD1 PHE A 42 -6.150 -1.231 -1.964 1.00 42.41 C ATOM 676 CD2 PHE A 42 -6.425 -2.654 -0.063 1.00 43.13 C ATOM 677 CE1 PHE A 42 -5.060 -0.632 -1.359 1.00 64.31 C ATOM 678 CE2 PHE A 42 -5.334 -2.056 0.543 1.00 22.14 C ATOM 679 CZ PHE A 42 -4.653 -1.045 -0.104 1.00 32.22 C ATOM 0 H PHE A 42 -9.336 -1.727 -0.197 1.00 54.34 H new ATOM 0 HA PHE A 42 -8.815 -1.118 -2.945 1.00 32.34 H new ATOM 0 HB2 PHE A 42 -8.427 -3.687 -1.343 1.00 32.13 H new ATOM 0 HB3 PHE A 42 -7.729 -3.367 -2.918 1.00 32.13 H new ATOM 0 HD1 PHE A 42 -6.463 -0.904 -2.945 1.00 42.41 H new ATOM 0 HD2 PHE A 42 -6.954 -3.444 0.449 1.00 43.13 H new ATOM 0 HE1 PHE A 42 -4.527 0.158 -1.867 1.00 64.31 H new ATOM 0 HE2 PHE A 42 -5.015 -2.381 1.523 1.00 22.14 H new ATOM 0 HZ PHE A 42 -3.803 -0.577 0.370 1.00 32.22 H new ATOM 689 N LYS A 43 -11.511 -2.667 -2.421 1.00 10.41 N ATOM 690 CA LYS A 43 -12.709 -3.263 -3.031 1.00 70.31 C ATOM 691 C LYS A 43 -13.697 -2.178 -3.499 1.00 34.43 C ATOM 692 O LYS A 43 -14.471 -2.385 -4.438 1.00 22.23 O ATOM 693 CB LYS A 43 -13.401 -4.185 -2.015 1.00 41.24 C ATOM 694 CG LYS A 43 -12.519 -5.322 -1.506 1.00 54.35 C ATOM 695 CD LYS A 43 -12.166 -6.307 -2.618 1.00 75.42 C ATOM 696 CE LYS A 43 -13.398 -7.034 -3.147 1.00 4.11 C ATOM 697 NZ LYS A 43 -13.067 -7.961 -4.258 1.00 64.01 N ATOM 0 H LYS A 43 -11.668 -2.288 -1.487 1.00 10.41 H new ATOM 0 HA LYS A 43 -12.396 -3.838 -3.902 1.00 70.31 H new ATOM 0 HB2 LYS A 43 -13.733 -3.588 -1.165 1.00 41.24 H new ATOM 0 HB3 LYS A 43 -14.294 -4.609 -2.474 1.00 41.24 H new ATOM 0 HG2 LYS A 43 -11.604 -4.910 -1.081 1.00 54.35 H new ATOM 0 HG3 LYS A 43 -13.034 -5.850 -0.703 1.00 54.35 H new ATOM 0 HD2 LYS A 43 -11.681 -5.773 -3.435 1.00 75.42 H new ATOM 0 HD3 LYS A 43 -11.448 -7.036 -2.243 1.00 75.42 H new ATOM 0 HE2 LYS A 43 -13.864 -7.593 -2.336 1.00 4.11 H new ATOM 0 HE3 LYS A 43 -14.129 -6.303 -3.492 1.00 4.11 H new ATOM 0 HZ1 LYS A 43 -13.934 -8.433 -4.586 1.00 64.01 H new ATOM 0 HZ2 LYS A 43 -12.646 -7.425 -5.044 1.00 64.01 H new ATOM 0 HZ3 LYS A 43 -12.389 -8.675 -3.924 1.00 64.01 H new ATOM 711 N LYS A 44 -13.660 -1.027 -2.834 1.00 73.03 N ATOM 712 CA LYS A 44 -14.571 0.088 -3.128 1.00 71.11 C ATOM 713 C LYS A 44 -14.131 0.867 -4.375 1.00 63.22 C ATOM 714 O LYS A 44 -14.922 1.107 -5.294 1.00 54.54 O ATOM 715 CB LYS A 44 -14.639 1.027 -1.912 1.00 30.53 C ATOM 716 CG LYS A 44 -15.632 2.177 -2.066 1.00 20.32 C ATOM 717 CD LYS A 44 -15.651 3.072 -0.828 1.00 30.24 C ATOM 718 CE LYS A 44 -16.717 4.159 -0.933 1.00 62.22 C ATOM 719 NZ LYS A 44 -18.084 3.586 -1.071 1.00 10.31 N ATOM 0 H LYS A 44 -13.002 -0.836 -2.078 1.00 73.03 H new ATOM 0 HA LYS A 44 -15.559 -0.324 -3.332 1.00 71.11 H new ATOM 0 HB2 LYS A 44 -14.909 0.444 -1.031 1.00 30.53 H new ATOM 0 HB3 LYS A 44 -13.647 1.440 -1.730 1.00 30.53 H new ATOM 0 HG2 LYS A 44 -15.369 2.771 -2.941 1.00 20.32 H new ATOM 0 HG3 LYS A 44 -16.630 1.776 -2.241 1.00 20.32 H new ATOM 0 HD2 LYS A 44 -15.837 2.464 0.057 1.00 30.24 H new ATOM 0 HD3 LYS A 44 -14.672 3.534 -0.698 1.00 30.24 H new ATOM 0 HE2 LYS A 44 -16.677 4.793 -0.047 1.00 62.22 H new ATOM 0 HE3 LYS A 44 -16.502 4.796 -1.791 1.00 62.22 H new ATOM 0 HZ1 LYS A 44 -18.791 4.317 -0.853 1.00 10.31 H new ATOM 0 HZ2 LYS A 44 -18.223 3.250 -2.045 1.00 10.31 H new ATOM 0 HZ3 LYS A 44 -18.195 2.790 -0.411 1.00 10.31 H new ATOM 733 N ASP A 45 -12.865 1.253 -4.397 1.00 44.51 N ATOM 734 CA ASP A 45 -12.300 2.009 -5.520 1.00 51.54 C ATOM 735 C ASP A 45 -10.835 1.577 -5.770 1.00 53.31 C ATOM 736 O ASP A 45 -9.892 2.230 -5.317 1.00 14.20 O ATOM 737 CB ASP A 45 -12.400 3.519 -5.223 1.00 45.00 C ATOM 738 CG ASP A 45 -12.474 4.379 -6.473 1.00 42.44 C ATOM 739 OD1 ASP A 45 -12.422 3.828 -7.594 1.00 15.53 O ATOM 740 OD2 ASP A 45 -12.601 5.617 -6.342 1.00 3.45 O ATOM 0 H ASP A 45 -12.200 1.057 -3.648 1.00 44.51 H new ATOM 0 HA ASP A 45 -12.866 1.799 -6.428 1.00 51.54 H new ATOM 0 HB2 ASP A 45 -13.284 3.703 -4.612 1.00 45.00 H new ATOM 0 HB3 ASP A 45 -11.535 3.823 -4.633 1.00 45.00 H new ATOM 745 N PRO A 46 -10.636 0.437 -6.466 1.00 21.11 N ATOM 746 CA PRO A 46 -9.302 -0.162 -6.650 1.00 24.23 C ATOM 747 C PRO A 46 -8.440 0.516 -7.735 1.00 65.13 C ATOM 748 O PRO A 46 -8.421 0.098 -8.897 1.00 0.45 O ATOM 749 CB PRO A 46 -9.632 -1.606 -7.034 1.00 31.35 C ATOM 750 CG PRO A 46 -10.944 -1.515 -7.745 1.00 13.02 C ATOM 751 CD PRO A 46 -11.695 -0.365 -7.115 1.00 2.34 C ATOM 0 HA PRO A 46 -8.693 -0.056 -5.752 1.00 24.23 H new ATOM 0 HB2 PRO A 46 -8.861 -2.032 -7.677 1.00 31.35 H new ATOM 0 HB3 PRO A 46 -9.701 -2.245 -6.153 1.00 31.35 H new ATOM 0 HG2 PRO A 46 -10.796 -1.344 -8.811 1.00 13.02 H new ATOM 0 HG3 PRO A 46 -11.504 -2.445 -7.646 1.00 13.02 H new ATOM 0 HD2 PRO A 46 -12.236 0.216 -7.862 1.00 2.34 H new ATOM 0 HD3 PRO A 46 -12.430 -0.716 -6.391 1.00 2.34 H new ATOM 759 N SER A 47 -7.735 1.569 -7.339 1.00 71.14 N ATOM 760 CA SER A 47 -6.740 2.234 -8.202 1.00 42.12 C ATOM 761 C SER A 47 -5.685 2.935 -7.349 1.00 71.40 C ATOM 762 O SER A 47 -5.959 3.324 -6.215 1.00 64.40 O ATOM 763 CB SER A 47 -7.401 3.257 -9.140 1.00 55.35 C ATOM 764 OG SER A 47 -6.428 4.013 -9.851 1.00 43.13 O ATOM 0 H SER A 47 -7.829 1.992 -6.416 1.00 71.14 H new ATOM 0 HA SER A 47 -6.267 1.464 -8.812 1.00 42.12 H new ATOM 0 HB2 SER A 47 -8.049 2.739 -9.847 1.00 55.35 H new ATOM 0 HB3 SER A 47 -8.034 3.929 -8.560 1.00 55.35 H new ATOM 0 HG SER A 47 -6.878 4.654 -10.440 1.00 43.13 H new ATOM 770 N ILE A 48 -4.477 3.092 -7.887 1.00 3.22 N ATOM 771 CA ILE A 48 -3.399 3.777 -7.161 1.00 43.01 C ATOM 772 C ILE A 48 -3.860 5.163 -6.677 1.00 31.31 C ATOM 773 O ILE A 48 -3.764 5.483 -5.490 1.00 60.30 O ATOM 774 CB ILE A 48 -2.131 3.937 -8.040 1.00 33.40 C ATOM 775 CG1 ILE A 48 -1.609 2.562 -8.502 1.00 21.25 C ATOM 776 CG2 ILE A 48 -1.042 4.701 -7.283 1.00 31.05 C ATOM 777 CD1 ILE A 48 -1.202 1.641 -7.368 1.00 11.12 C ATOM 0 H ILE A 48 -4.217 2.759 -8.815 1.00 3.22 H new ATOM 0 HA ILE A 48 -3.150 3.157 -6.300 1.00 43.01 H new ATOM 0 HB ILE A 48 -2.401 4.513 -8.925 1.00 33.40 H new ATOM 0 HG12 ILE A 48 -2.382 2.072 -9.094 1.00 21.25 H new ATOM 0 HG13 ILE A 48 -0.752 2.713 -9.159 1.00 21.25 H new ATOM 0 HG21 ILE A 48 -0.161 4.802 -7.917 1.00 31.05 H new ATOM 0 HG22 ILE A 48 -1.412 5.691 -7.014 1.00 31.05 H new ATOM 0 HG23 ILE A 48 -0.777 4.155 -6.378 1.00 31.05 H new ATOM 0 HD11 ILE A 48 -0.847 0.695 -7.777 1.00 11.12 H new ATOM 0 HD12 ILE A 48 -0.406 2.108 -6.788 1.00 11.12 H new ATOM 0 HD13 ILE A 48 -2.061 1.457 -6.722 1.00 11.12 H new ATOM 789 N LYS A 49 -4.397 5.966 -7.594 1.00 13.23 N ATOM 790 CA LYS A 49 -4.911 7.296 -7.254 1.00 54.32 C ATOM 791 C LYS A 49 -6.144 7.192 -6.341 1.00 14.34 C ATOM 792 O LYS A 49 -6.304 7.963 -5.391 1.00 12.30 O ATOM 793 CB LYS A 49 -5.258 8.070 -8.534 1.00 53.41 C ATOM 794 CG LYS A 49 -4.042 8.389 -9.402 1.00 44.23 C ATOM 795 CD LYS A 49 -4.429 9.069 -10.717 1.00 31.54 C ATOM 796 CE LYS A 49 -5.220 8.136 -11.628 1.00 72.45 C ATOM 797 NZ LYS A 49 -5.525 8.763 -12.941 1.00 42.01 N ATOM 0 H LYS A 49 -4.489 5.720 -8.580 1.00 13.23 H new ATOM 0 HA LYS A 49 -4.134 7.836 -6.713 1.00 54.32 H new ATOM 0 HB2 LYS A 49 -5.970 7.488 -9.119 1.00 53.41 H new ATOM 0 HB3 LYS A 49 -5.755 9.001 -8.262 1.00 53.41 H new ATOM 0 HG2 LYS A 49 -3.362 9.036 -8.847 1.00 44.23 H new ATOM 0 HG3 LYS A 49 -3.501 7.468 -9.618 1.00 44.23 H new ATOM 0 HD2 LYS A 49 -5.022 9.958 -10.505 1.00 31.54 H new ATOM 0 HD3 LYS A 49 -3.528 9.402 -11.232 1.00 31.54 H new ATOM 0 HE2 LYS A 49 -4.653 7.219 -11.788 1.00 72.45 H new ATOM 0 HE3 LYS A 49 -6.151 7.853 -11.137 1.00 72.45 H new ATOM 0 HZ1 LYS A 49 -6.063 8.094 -13.528 1.00 42.01 H new ATOM 0 HZ2 LYS A 49 -6.088 9.624 -12.792 1.00 42.01 H new ATOM 0 HZ3 LYS A 49 -4.637 9.009 -13.423 1.00 42.01 H new ATOM 811 N SER A 50 -6.999 6.209 -6.625 1.00 75.53 N ATOM 812 CA SER A 50 -8.212 5.969 -5.828 1.00 15.44 C ATOM 813 C SER A 50 -7.883 5.449 -4.425 1.00 44.22 C ATOM 814 O SER A 50 -8.734 5.450 -3.536 1.00 74.32 O ATOM 815 CB SER A 50 -9.137 4.982 -6.545 1.00 4.13 C ATOM 816 OG SER A 50 -9.543 5.483 -7.810 1.00 63.31 O ATOM 0 H SER A 50 -6.877 5.561 -7.403 1.00 75.53 H new ATOM 0 HA SER A 50 -8.720 6.927 -5.718 1.00 15.44 H new ATOM 0 HB2 SER A 50 -8.624 4.029 -6.676 1.00 4.13 H new ATOM 0 HB3 SER A 50 -10.015 4.789 -5.929 1.00 4.13 H new ATOM 0 HG SER A 50 -10.132 4.832 -8.246 1.00 63.31 H new ATOM 822 N SER A 51 -6.653 4.992 -4.231 1.00 42.14 N ATOM 823 CA SER A 51 -6.173 4.611 -2.900 1.00 62.33 C ATOM 824 C SER A 51 -5.566 5.822 -2.184 1.00 43.32 C ATOM 825 O SER A 51 -5.780 6.019 -0.989 1.00 75.03 O ATOM 826 CB SER A 51 -5.137 3.485 -2.993 1.00 52.54 C ATOM 827 OG SER A 51 -5.702 2.306 -3.547 1.00 35.32 O ATOM 0 H SER A 51 -5.966 4.874 -4.976 1.00 42.14 H new ATOM 0 HA SER A 51 -7.026 4.249 -2.325 1.00 62.33 H new ATOM 0 HB2 SER A 51 -4.297 3.811 -3.607 1.00 52.54 H new ATOM 0 HB3 SER A 51 -4.742 3.269 -2.000 1.00 52.54 H new ATOM 0 HG SER A 51 -5.878 2.445 -4.501 1.00 35.32 H new ATOM 833 N LEU A 52 -4.820 6.644 -2.927 1.00 11.31 N ATOM 834 CA LEU A 52 -4.205 7.858 -2.373 1.00 20.21 C ATOM 835 C LEU A 52 -5.242 8.773 -1.696 1.00 73.54 C ATOM 836 O LEU A 52 -4.965 9.368 -0.653 1.00 42.41 O ATOM 837 CB LEU A 52 -3.465 8.633 -3.474 1.00 13.44 C ATOM 838 CG LEU A 52 -2.282 7.894 -4.125 1.00 2.24 C ATOM 839 CD1 LEU A 52 -1.663 8.733 -5.241 1.00 15.42 C ATOM 840 CD2 LEU A 52 -1.231 7.523 -3.081 1.00 34.31 C ATOM 0 H LEU A 52 -4.626 6.492 -3.917 1.00 11.31 H new ATOM 0 HA LEU A 52 -3.494 7.540 -1.611 1.00 20.21 H new ATOM 0 HB2 LEU A 52 -4.181 8.894 -4.254 1.00 13.44 H new ATOM 0 HB3 LEU A 52 -3.098 9.568 -3.052 1.00 13.44 H new ATOM 0 HG LEU A 52 -2.663 6.972 -4.565 1.00 2.24 H new ATOM 0 HD11 LEU A 52 -0.829 8.189 -5.685 1.00 15.42 H new ATOM 0 HD12 LEU A 52 -2.414 8.933 -6.005 1.00 15.42 H new ATOM 0 HD13 LEU A 52 -1.303 9.676 -4.830 1.00 15.42 H new ATOM 0 HD21 LEU A 52 -0.405 7.002 -3.565 1.00 34.31 H new ATOM 0 HD22 LEU A 52 -0.858 8.429 -2.603 1.00 34.31 H new ATOM 0 HD23 LEU A 52 -1.679 6.873 -2.329 1.00 34.31 H new ATOM 852 N LYS A 53 -6.439 8.875 -2.289 1.00 43.24 N ATOM 853 CA LYS A 53 -7.526 9.681 -1.707 1.00 22.11 C ATOM 854 C LYS A 53 -7.836 9.243 -0.260 1.00 43.13 C ATOM 855 O LYS A 53 -8.175 10.063 0.589 1.00 65.00 O ATOM 856 CB LYS A 53 -8.811 9.579 -2.557 1.00 33.21 C ATOM 857 CG LYS A 53 -9.473 8.204 -2.502 1.00 43.12 C ATOM 858 CD LYS A 53 -10.838 8.165 -3.194 1.00 51.42 C ATOM 859 CE LYS A 53 -10.734 8.401 -4.696 1.00 54.24 C ATOM 860 NZ LYS A 53 -12.004 8.080 -5.407 1.00 61.11 N ATOM 0 H LYS A 53 -6.681 8.413 -3.166 1.00 43.24 H new ATOM 0 HA LYS A 53 -7.185 10.716 -1.698 1.00 22.11 H new ATOM 0 HB2 LYS A 53 -9.523 10.330 -2.215 1.00 33.21 H new ATOM 0 HB3 LYS A 53 -8.571 9.816 -3.593 1.00 33.21 H new ATOM 0 HG2 LYS A 53 -8.815 7.472 -2.969 1.00 43.12 H new ATOM 0 HG3 LYS A 53 -9.592 7.906 -1.460 1.00 43.12 H new ATOM 0 HD2 LYS A 53 -11.307 7.198 -3.012 1.00 51.42 H new ATOM 0 HD3 LYS A 53 -11.487 8.922 -2.754 1.00 51.42 H new ATOM 0 HE2 LYS A 53 -10.470 9.442 -4.881 1.00 54.24 H new ATOM 0 HE3 LYS A 53 -9.928 7.790 -5.103 1.00 54.24 H new ATOM 0 HZ1 LYS A 53 -12.152 8.761 -6.179 1.00 61.11 H new ATOM 0 HZ2 LYS A 53 -11.949 7.119 -5.800 1.00 61.11 H new ATOM 0 HZ3 LYS A 53 -12.799 8.136 -4.739 1.00 61.11 H new ATOM 874 N PHE A 54 -7.703 7.942 0.004 1.00 32.51 N ATOM 875 CA PHE A 54 -8.021 7.374 1.318 1.00 51.31 C ATOM 876 C PHE A 54 -6.785 7.339 2.237 1.00 12.41 C ATOM 877 O PHE A 54 -6.873 7.672 3.416 1.00 33.34 O ATOM 878 CB PHE A 54 -8.589 5.956 1.139 1.00 1.33 C ATOM 879 CG PHE A 54 -8.993 5.281 2.428 1.00 20.44 C ATOM 880 CD1 PHE A 54 -10.166 5.641 3.079 1.00 51.14 C ATOM 881 CD2 PHE A 54 -8.201 4.285 2.989 1.00 63.12 C ATOM 882 CE1 PHE A 54 -10.540 5.021 4.257 1.00 62.42 C ATOM 883 CE2 PHE A 54 -8.575 3.664 4.164 1.00 44.40 C ATOM 884 CZ PHE A 54 -9.743 4.032 4.799 1.00 62.25 C ATOM 0 H PHE A 54 -7.376 7.258 -0.678 1.00 32.51 H new ATOM 0 HA PHE A 54 -8.765 8.012 1.794 1.00 51.31 H new ATOM 0 HB2 PHE A 54 -9.457 6.005 0.481 1.00 1.33 H new ATOM 0 HB3 PHE A 54 -7.843 5.339 0.638 1.00 1.33 H new ATOM 0 HD1 PHE A 54 -10.793 6.414 2.660 1.00 51.14 H new ATOM 0 HD2 PHE A 54 -7.283 3.994 2.500 1.00 63.12 H new ATOM 0 HE1 PHE A 54 -11.455 5.310 4.753 1.00 62.42 H new ATOM 0 HE2 PHE A 54 -7.952 2.889 4.586 1.00 44.40 H new ATOM 0 HZ PHE A 54 -10.034 3.547 5.719 1.00 62.25 H new ATOM 894 N LEU A 55 -5.641 6.939 1.685 1.00 23.43 N ATOM 895 CA LEU A 55 -4.400 6.792 2.462 1.00 34.51 C ATOM 896 C LEU A 55 -3.888 8.140 3.004 1.00 31.33 C ATOM 897 O LEU A 55 -3.383 8.216 4.124 1.00 31.05 O ATOM 898 CB LEU A 55 -3.312 6.129 1.604 1.00 42.51 C ATOM 899 CG LEU A 55 -3.658 4.729 1.067 1.00 4.53 C ATOM 900 CD1 LEU A 55 -2.503 4.168 0.238 1.00 73.03 C ATOM 901 CD2 LEU A 55 -4.018 3.779 2.210 1.00 55.01 C ATOM 0 H LEU A 55 -5.542 6.708 0.696 1.00 23.43 H new ATOM 0 HA LEU A 55 -4.630 6.159 3.319 1.00 34.51 H new ATOM 0 HB2 LEU A 55 -3.093 6.780 0.758 1.00 42.51 H new ATOM 0 HB3 LEU A 55 -2.399 6.057 2.196 1.00 42.51 H new ATOM 0 HG LEU A 55 -4.530 4.821 0.419 1.00 4.53 H new ATOM 0 HD11 LEU A 55 -2.768 3.178 -0.132 1.00 73.03 H new ATOM 0 HD12 LEU A 55 -2.305 4.830 -0.605 1.00 73.03 H new ATOM 0 HD13 LEU A 55 -1.610 4.096 0.859 1.00 73.03 H new ATOM 0 HD21 LEU A 55 -4.258 2.796 1.804 1.00 55.01 H new ATOM 0 HD22 LEU A 55 -3.172 3.693 2.892 1.00 55.01 H new ATOM 0 HD23 LEU A 55 -4.881 4.170 2.750 1.00 55.01 H new ATOM 913 N ARG A 56 -4.019 9.199 2.207 1.00 50.12 N ATOM 914 CA ARG A 56 -3.572 10.534 2.628 1.00 44.01 C ATOM 915 C ARG A 56 -4.475 11.114 3.733 1.00 5.34 C ATOM 916 O ARG A 56 -4.029 11.918 4.556 1.00 2.35 O ATOM 917 CB ARG A 56 -3.509 11.480 1.418 1.00 10.04 C ATOM 918 CG ARG A 56 -2.434 11.087 0.406 1.00 74.40 C ATOM 919 CD ARG A 56 -2.400 12.027 -0.796 1.00 24.53 C ATOM 920 NE ARG A 56 -1.330 11.680 -1.732 1.00 60.33 N ATOM 921 CZ ARG A 56 -1.353 11.944 -3.012 1.00 3.12 C ATOM 922 NH1 ARG A 56 -2.385 12.499 -3.562 1.00 15.52 N ATOM 923 NH2 ARG A 56 -0.340 11.637 -3.749 1.00 23.32 N ATOM 0 H ARG A 56 -4.427 9.164 1.273 1.00 50.12 H new ATOM 0 HA ARG A 56 -2.571 10.436 3.048 1.00 44.01 H new ATOM 0 HB2 ARG A 56 -4.480 11.491 0.922 1.00 10.04 H new ATOM 0 HB3 ARG A 56 -3.317 12.495 1.767 1.00 10.04 H new ATOM 0 HG2 ARG A 56 -1.460 11.090 0.895 1.00 74.40 H new ATOM 0 HG3 ARG A 56 -2.616 10.068 0.063 1.00 74.40 H new ATOM 0 HD2 ARG A 56 -3.359 11.991 -1.312 1.00 24.53 H new ATOM 0 HD3 ARG A 56 -2.262 13.052 -0.451 1.00 24.53 H new ATOM 0 HE ARG A 56 -0.511 11.200 -1.360 1.00 60.33 H new ATOM 0 HH11 ARG A 56 -3.198 12.738 -2.995 1.00 15.52 H new ATOM 0 HH12 ARG A 56 -2.385 12.697 -4.563 1.00 15.52 H new ATOM 0 HH21 ARG A 56 0.477 11.189 -3.333 1.00 23.32 H new ATOM 0 HH22 ARG A 56 -0.355 11.842 -4.748 1.00 23.32 H new ATOM 937 N LYS A 57 -5.737 10.690 3.759 1.00 70.13 N ATOM 938 CA LYS A 57 -6.677 11.102 4.811 1.00 10.31 C ATOM 939 C LYS A 57 -6.526 10.222 6.063 1.00 34.21 C ATOM 940 O LYS A 57 -6.248 10.712 7.160 1.00 40.34 O ATOM 941 CB LYS A 57 -8.120 11.019 4.292 1.00 60.42 C ATOM 942 CG LYS A 57 -8.445 12.018 3.188 1.00 21.24 C ATOM 943 CD LYS A 57 -9.851 11.798 2.630 1.00 62.12 C ATOM 944 CE LYS A 57 -10.238 12.871 1.620 1.00 21.21 C ATOM 945 NZ LYS A 57 -10.380 14.206 2.260 1.00 72.31 N ATOM 0 H LYS A 57 -6.137 10.060 3.064 1.00 70.13 H new ATOM 0 HA LYS A 57 -6.448 12.132 5.083 1.00 10.31 H new ATOM 0 HB2 LYS A 57 -8.303 10.011 3.920 1.00 60.42 H new ATOM 0 HB3 LYS A 57 -8.804 11.180 5.125 1.00 60.42 H new ATOM 0 HG2 LYS A 57 -8.362 13.033 3.578 1.00 21.24 H new ATOM 0 HG3 LYS A 57 -7.715 11.924 2.384 1.00 21.24 H new ATOM 0 HD2 LYS A 57 -9.904 10.818 2.156 1.00 62.12 H new ATOM 0 HD3 LYS A 57 -10.570 11.795 3.449 1.00 62.12 H new ATOM 0 HE2 LYS A 57 -9.482 12.922 0.836 1.00 21.21 H new ATOM 0 HE3 LYS A 57 -11.177 12.596 1.140 1.00 21.21 H new ATOM 0 HZ1 LYS A 57 -10.851 14.858 1.601 1.00 72.31 H new ATOM 0 HZ2 LYS A 57 -10.949 14.117 3.126 1.00 72.31 H new ATOM 0 HZ3 LYS A 57 -9.439 14.577 2.501 1.00 72.31 H new ATOM 959 N THR A 58 -6.716 8.920 5.883 1.00 44.35 N ATOM 960 CA THR A 58 -6.625 7.953 6.982 1.00 71.34 C ATOM 961 C THR A 58 -5.167 7.556 7.254 1.00 74.10 C ATOM 962 O THR A 58 -4.609 6.690 6.572 1.00 4.22 O ATOM 963 CB THR A 58 -7.453 6.679 6.677 1.00 13.15 C ATOM 964 OG1 THR A 58 -8.813 7.032 6.385 1.00 61.12 O ATOM 965 CG2 THR A 58 -7.428 5.707 7.849 1.00 43.12 C ATOM 0 H THR A 58 -6.936 8.502 4.979 1.00 44.35 H new ATOM 0 HA THR A 58 -7.032 8.439 7.869 1.00 71.34 H new ATOM 0 HB THR A 58 -7.003 6.192 5.812 1.00 13.15 H new ATOM 0 HG1 THR A 58 -9.214 6.344 5.814 1.00 61.12 H new ATOM 0 HG21 THR A 58 -8.018 4.824 7.602 1.00 43.12 H new ATOM 0 HG22 THR A 58 -6.399 5.410 8.054 1.00 43.12 H new ATOM 0 HG23 THR A 58 -7.849 6.190 8.731 1.00 43.12 H new ATOM 973 N ASP A 59 -4.563 8.188 8.260 1.00 61.52 N ATOM 974 CA ASP A 59 -3.142 7.992 8.574 1.00 30.11 C ATOM 975 C ASP A 59 -2.782 6.515 8.816 1.00 72.32 C ATOM 976 O ASP A 59 -1.919 5.969 8.132 1.00 45.24 O ATOM 977 CB ASP A 59 -2.753 8.829 9.794 1.00 34.12 C ATOM 978 CG ASP A 59 -3.004 10.308 9.569 1.00 13.11 C ATOM 979 OD1 ASP A 59 -4.126 10.773 9.857 1.00 25.00 O ATOM 980 OD2 ASP A 59 -2.086 11.013 9.098 1.00 64.03 O ATOM 0 H ASP A 59 -5.038 8.846 8.878 1.00 61.52 H new ATOM 0 HA ASP A 59 -2.577 8.320 7.701 1.00 30.11 H new ATOM 0 HB2 ASP A 59 -3.321 8.492 10.661 1.00 34.12 H new ATOM 0 HB3 ASP A 59 -1.699 8.670 10.022 1.00 34.12 H new ATOM 985 N TRP A 60 -3.442 5.872 9.784 1.00 31.40 N ATOM 986 CA TRP A 60 -3.111 4.483 10.141 1.00 1.14 C ATOM 987 C TRP A 60 -3.177 3.547 8.919 1.00 64.04 C ATOM 988 O TRP A 60 -2.324 2.676 8.753 1.00 31.43 O ATOM 989 CB TRP A 60 -4.016 3.964 11.271 1.00 21.54 C ATOM 990 CG TRP A 60 -5.478 3.884 10.923 1.00 23.13 C ATOM 991 CD1 TRP A 60 -6.422 4.854 11.114 1.00 1.10 C ATOM 992 CD2 TRP A 60 -6.168 2.765 10.348 1.00 23.50 C ATOM 993 NE1 TRP A 60 -7.646 4.409 10.682 1.00 75.34 N ATOM 994 CE2 TRP A 60 -7.518 3.132 10.209 1.00 4.15 C ATOM 995 CE3 TRP A 60 -5.770 1.493 9.931 1.00 22.33 C ATOM 996 CZ2 TRP A 60 -8.474 2.272 9.676 1.00 62.33 C ATOM 997 CZ3 TRP A 60 -6.718 0.639 9.400 1.00 62.24 C ATOM 998 CH2 TRP A 60 -8.056 1.033 9.275 1.00 15.22 C ATOM 0 H TRP A 60 -4.200 6.282 10.330 1.00 31.40 H new ATOM 0 HA TRP A 60 -2.083 4.485 10.502 1.00 1.14 H new ATOM 0 HB2 TRP A 60 -3.672 2.973 11.566 1.00 21.54 H new ATOM 0 HB3 TRP A 60 -3.899 4.613 12.139 1.00 21.54 H new ATOM 0 HD1 TRP A 60 -6.232 5.827 11.542 1.00 1.10 H new ATOM 0 HE1 TRP A 60 -8.513 4.945 10.709 1.00 75.34 H new ATOM 0 HE3 TRP A 60 -4.740 1.182 10.022 1.00 22.33 H new ATOM 0 HZ2 TRP A 60 -9.507 2.572 9.583 1.00 62.33 H new ATOM 0 HZ3 TRP A 60 -6.422 -0.348 9.076 1.00 62.24 H new ATOM 0 HH2 TRP A 60 -8.773 0.344 8.853 1.00 15.22 H new ATOM 1009 N ALA A 61 -4.179 3.742 8.057 1.00 3.33 N ATOM 1010 CA ALA A 61 -4.308 2.945 6.830 1.00 52.34 C ATOM 1011 C ALA A 61 -3.072 3.106 5.934 1.00 21.25 C ATOM 1012 O ALA A 61 -2.529 2.125 5.422 1.00 43.00 O ATOM 1013 CB ALA A 61 -5.570 3.334 6.073 1.00 5.32 C ATOM 0 H ALA A 61 -4.911 4.441 8.184 1.00 3.33 H new ATOM 0 HA ALA A 61 -4.382 1.896 7.115 1.00 52.34 H new ATOM 0 HB1 ALA A 61 -5.650 2.734 5.167 1.00 5.32 H new ATOM 0 HB2 ALA A 61 -6.441 3.157 6.703 1.00 5.32 H new ATOM 0 HB3 ALA A 61 -5.523 4.390 5.806 1.00 5.32 H new ATOM 1019 N ARG A 62 -2.630 4.353 5.761 1.00 32.05 N ATOM 1020 CA ARG A 62 -1.389 4.644 5.038 1.00 13.11 C ATOM 1021 C ARG A 62 -0.209 3.901 5.680 1.00 41.50 C ATOM 1022 O ARG A 62 0.552 3.211 5.003 1.00 42.22 O ATOM 1023 CB ARG A 62 -1.103 6.153 5.058 1.00 35.13 C ATOM 1024 CG ARG A 62 0.110 6.570 4.223 1.00 3.52 C ATOM 1025 CD ARG A 62 0.847 7.762 4.831 1.00 12.11 C ATOM 1026 NE ARG A 62 -0.048 8.878 5.156 1.00 52.42 N ATOM 1027 CZ ARG A 62 -0.266 9.306 6.374 1.00 43.15 C ATOM 1028 NH1 ARG A 62 0.250 8.689 7.388 1.00 24.51 N ATOM 1029 NH2 ARG A 62 -1.013 10.345 6.577 1.00 24.55 N ATOM 0 H ARG A 62 -3.114 5.180 6.112 1.00 32.05 H new ATOM 0 HA ARG A 62 -1.509 4.310 4.008 1.00 13.11 H new ATOM 0 HB2 ARG A 62 -1.982 6.683 4.692 1.00 35.13 H new ATOM 0 HB3 ARG A 62 -0.946 6.469 6.089 1.00 35.13 H new ATOM 0 HG2 ARG A 62 0.796 5.727 4.135 1.00 3.52 H new ATOM 0 HG3 ARG A 62 -0.215 6.822 3.214 1.00 3.52 H new ATOM 0 HD2 ARG A 62 1.363 7.441 5.736 1.00 12.11 H new ATOM 0 HD3 ARG A 62 1.610 8.106 4.133 1.00 12.11 H new ATOM 0 HE ARG A 62 -0.528 9.348 4.389 1.00 52.42 H new ATOM 0 HH11 ARG A 62 0.831 7.864 7.241 1.00 24.51 H new ATOM 0 HH12 ARG A 62 0.076 9.028 8.334 1.00 24.51 H new ATOM 0 HH21 ARG A 62 -1.434 10.833 5.786 1.00 24.55 H new ATOM 0 HH22 ARG A 62 -1.180 10.675 7.528 1.00 24.55 H new ATOM 1043 N GLU A 63 -0.086 4.038 6.999 1.00 23.24 N ATOM 1044 CA GLU A 63 1.008 3.420 7.756 1.00 2.53 C ATOM 1045 C GLU A 63 0.984 1.884 7.640 1.00 21.14 C ATOM 1046 O GLU A 63 2.027 1.230 7.715 1.00 12.31 O ATOM 1047 CB GLU A 63 0.933 3.845 9.231 1.00 44.43 C ATOM 1048 CG GLU A 63 0.869 5.361 9.440 1.00 33.13 C ATOM 1049 CD GLU A 63 2.074 6.101 8.876 1.00 71.11 C ATOM 1050 OE1 GLU A 63 3.082 6.242 9.600 1.00 60.21 O ATOM 1051 OE2 GLU A 63 2.016 6.556 7.710 1.00 50.21 O ATOM 0 H GLU A 63 -0.736 4.576 7.572 1.00 23.24 H new ATOM 0 HA GLU A 63 1.949 3.767 7.328 1.00 2.53 H new ATOM 0 HB2 GLU A 63 0.054 3.388 9.686 1.00 44.43 H new ATOM 0 HB3 GLU A 63 1.804 3.453 9.756 1.00 44.43 H new ATOM 0 HG2 GLU A 63 -0.037 5.747 8.972 1.00 33.13 H new ATOM 0 HG3 GLU A 63 0.790 5.570 10.507 1.00 33.13 H new ATOM 1058 N ARG A 64 -0.204 1.307 7.462 1.00 42.35 N ATOM 1059 CA ARG A 64 -0.324 -0.130 7.202 1.00 74.13 C ATOM 1060 C ARG A 64 0.274 -0.479 5.832 1.00 21.22 C ATOM 1061 O ARG A 64 0.975 -1.480 5.687 1.00 32.22 O ATOM 1062 CB ARG A 64 -1.787 -0.588 7.273 1.00 13.42 C ATOM 1063 CG ARG A 64 -2.465 -0.360 8.625 1.00 64.22 C ATOM 1064 CD ARG A 64 -1.773 -1.096 9.775 1.00 72.31 C ATOM 1065 NE ARG A 64 -0.493 -0.487 10.154 1.00 12.34 N ATOM 1066 CZ ARG A 64 -0.362 0.471 11.037 1.00 24.01 C ATOM 1067 NH1 ARG A 64 -1.390 0.934 11.673 1.00 52.32 N ATOM 1068 NH2 ARG A 64 0.810 0.944 11.309 1.00 65.45 N ATOM 0 H ARG A 64 -1.092 1.807 7.492 1.00 42.35 H new ATOM 0 HA ARG A 64 0.234 -0.657 7.976 1.00 74.13 H new ATOM 0 HB2 ARG A 64 -2.355 -0.064 6.504 1.00 13.42 H new ATOM 0 HB3 ARG A 64 -1.833 -1.650 7.034 1.00 13.42 H new ATOM 0 HG2 ARG A 64 -2.480 0.708 8.842 1.00 64.22 H new ATOM 0 HG3 ARG A 64 -3.503 -0.687 8.564 1.00 64.22 H new ATOM 0 HD2 ARG A 64 -2.434 -1.109 10.641 1.00 72.31 H new ATOM 0 HD3 ARG A 64 -1.605 -2.134 9.487 1.00 72.31 H new ATOM 0 HE ARG A 64 0.352 -0.833 9.699 1.00 12.34 H new ATOM 0 HH11 ARG A 64 -2.318 0.552 11.489 1.00 52.32 H new ATOM 0 HH12 ARG A 64 -1.272 1.680 12.358 1.00 52.32 H new ATOM 0 HH21 ARG A 64 1.633 0.571 10.836 1.00 65.45 H new ATOM 0 HH22 ARG A 64 0.912 1.690 11.997 1.00 65.45 H new ATOM 1082 N VAL A 65 -0.006 0.362 4.834 1.00 14.45 N ATOM 1083 CA VAL A 65 0.581 0.210 3.497 1.00 42.23 C ATOM 1084 C VAL A 65 2.115 0.317 3.559 1.00 45.31 C ATOM 1085 O VAL A 65 2.833 -0.527 3.012 1.00 54.50 O ATOM 1086 CB VAL A 65 0.018 1.274 2.517 1.00 62.45 C ATOM 1087 CG1 VAL A 65 0.657 1.151 1.135 1.00 75.13 C ATOM 1088 CG2 VAL A 65 -1.503 1.157 2.418 1.00 51.14 C ATOM 0 H VAL A 65 -0.637 1.158 4.925 1.00 14.45 H new ATOM 0 HA VAL A 65 0.311 -0.780 3.129 1.00 42.23 H new ATOM 0 HB VAL A 65 0.268 2.259 2.912 1.00 62.45 H new ATOM 0 HG11 VAL A 65 0.241 1.910 0.473 1.00 75.13 H new ATOM 0 HG12 VAL A 65 1.734 1.293 1.218 1.00 75.13 H new ATOM 0 HG13 VAL A 65 0.452 0.162 0.726 1.00 75.13 H new ATOM 0 HG21 VAL A 65 -1.882 1.910 1.727 1.00 51.14 H new ATOM 0 HG22 VAL A 65 -1.769 0.164 2.054 1.00 51.14 H new ATOM 0 HG23 VAL A 65 -1.945 1.313 3.402 1.00 51.14 H new ATOM 1098 N GLU A 66 2.606 1.351 4.246 1.00 34.22 N ATOM 1099 CA GLU A 66 4.044 1.506 4.514 1.00 31.42 C ATOM 1100 C GLU A 66 4.619 0.214 5.117 1.00 30.52 C ATOM 1101 O GLU A 66 5.661 -0.290 4.689 1.00 14.53 O ATOM 1102 CB GLU A 66 4.272 2.662 5.506 1.00 72.32 C ATOM 1103 CG GLU A 66 3.603 3.976 5.117 1.00 23.35 C ATOM 1104 CD GLU A 66 4.260 4.667 3.934 1.00 2.12 C ATOM 1105 OE1 GLU A 66 5.259 5.391 4.150 1.00 42.33 O ATOM 1106 OE2 GLU A 66 3.766 4.521 2.801 1.00 24.33 O ATOM 0 H GLU A 66 2.028 2.099 4.630 1.00 34.22 H new ATOM 0 HA GLU A 66 4.547 1.722 3.571 1.00 31.42 H new ATOM 0 HB2 GLU A 66 3.905 2.359 6.487 1.00 72.32 H new ATOM 0 HB3 GLU A 66 5.344 2.831 5.606 1.00 72.32 H new ATOM 0 HG2 GLU A 66 2.556 3.785 4.880 1.00 23.35 H new ATOM 0 HG3 GLU A 66 3.618 4.649 5.974 1.00 23.35 H new ATOM 1113 N ASN A 67 3.910 -0.321 6.114 1.00 31.03 N ATOM 1114 CA ASN A 67 4.311 -1.557 6.792 1.00 64.34 C ATOM 1115 C ASN A 67 4.392 -2.745 5.814 1.00 0.14 C ATOM 1116 O ASN A 67 5.294 -3.581 5.915 1.00 74.24 O ATOM 1117 CB ASN A 67 3.328 -1.872 7.929 1.00 14.45 C ATOM 1118 CG ASN A 67 3.718 -3.111 8.716 1.00 50.15 C ATOM 1119 OD1 ASN A 67 4.480 -3.039 9.673 1.00 23.01 O ATOM 1120 ND2 ASN A 67 3.194 -4.259 8.327 1.00 45.11 N ATOM 0 H ASN A 67 3.047 0.087 6.473 1.00 31.03 H new ATOM 0 HA ASN A 67 5.308 -1.403 7.205 1.00 64.34 H new ATOM 0 HB2 ASN A 67 3.276 -1.019 8.605 1.00 14.45 H new ATOM 0 HB3 ASN A 67 2.330 -2.010 7.513 1.00 14.45 H new ATOM 0 HD21 ASN A 67 3.420 -5.119 8.827 1.00 45.11 H new ATOM 0 HD22 ASN A 67 2.563 -4.286 7.526 1.00 45.11 H new ATOM 1127 N ILE A 68 3.452 -2.814 4.868 1.00 31.23 N ATOM 1128 CA ILE A 68 3.467 -3.873 3.847 1.00 22.34 C ATOM 1129 C ILE A 68 4.783 -3.856 3.053 1.00 1.41 C ATOM 1130 O ILE A 68 5.365 -4.905 2.771 1.00 32.11 O ATOM 1131 CB ILE A 68 2.274 -3.752 2.865 1.00 63.54 C ATOM 1132 CG1 ILE A 68 0.938 -3.863 3.618 1.00 62.31 C ATOM 1133 CG2 ILE A 68 2.365 -4.822 1.775 1.00 12.30 C ATOM 1134 CD1 ILE A 68 -0.278 -3.720 2.726 1.00 33.11 C ATOM 0 H ILE A 68 2.676 -2.157 4.785 1.00 31.23 H new ATOM 0 HA ILE A 68 3.378 -4.819 4.381 1.00 22.34 H new ATOM 0 HB ILE A 68 2.320 -2.772 2.391 1.00 63.54 H new ATOM 0 HG12 ILE A 68 0.895 -4.828 4.124 1.00 62.31 H new ATOM 0 HG13 ILE A 68 0.902 -3.096 4.392 1.00 62.31 H new ATOM 0 HG21 ILE A 68 1.519 -4.721 1.095 1.00 12.30 H new ATOM 0 HG22 ILE A 68 3.294 -4.697 1.219 1.00 12.30 H new ATOM 0 HG23 ILE A 68 2.347 -5.811 2.233 1.00 12.30 H new ATOM 0 HD11 ILE A 68 -1.183 -3.809 3.327 1.00 33.11 H new ATOM 0 HD12 ILE A 68 -0.260 -2.744 2.240 1.00 33.11 H new ATOM 0 HD13 ILE A 68 -0.267 -4.503 1.968 1.00 33.11 H new ATOM 1146 N TYR A 69 5.251 -2.661 2.703 1.00 62.53 N ATOM 1147 CA TYR A 69 6.533 -2.517 2.007 1.00 64.13 C ATOM 1148 C TYR A 69 7.696 -2.926 2.927 1.00 65.31 C ATOM 1149 O TYR A 69 8.679 -3.523 2.480 1.00 75.34 O ATOM 1150 CB TYR A 69 6.724 -1.075 1.517 1.00 35.32 C ATOM 1151 CG TYR A 69 7.920 -0.904 0.598 1.00 0.24 C ATOM 1152 CD1 TYR A 69 7.883 -1.387 -0.706 1.00 3.13 C ATOM 1153 CD2 TYR A 69 9.082 -0.275 1.032 1.00 1.10 C ATOM 1154 CE1 TYR A 69 8.968 -1.250 -1.549 1.00 74.33 C ATOM 1155 CE2 TYR A 69 10.172 -0.137 0.195 1.00 55.01 C ATOM 1156 CZ TYR A 69 10.110 -0.624 -1.092 1.00 73.52 C ATOM 1157 OH TYR A 69 11.195 -0.494 -1.924 1.00 54.23 O ATOM 0 H TYR A 69 4.768 -1.782 2.887 1.00 62.53 H new ATOM 0 HA TYR A 69 6.526 -3.178 1.141 1.00 64.13 H new ATOM 0 HB2 TYR A 69 5.824 -0.755 0.993 1.00 35.32 H new ATOM 0 HB3 TYR A 69 6.841 -0.419 2.379 1.00 35.32 H new ATOM 0 HD1 TYR A 69 6.990 -1.878 -1.065 1.00 3.13 H new ATOM 0 HD2 TYR A 69 9.133 0.112 2.039 1.00 1.10 H new ATOM 0 HE1 TYR A 69 8.923 -1.630 -2.559 1.00 74.33 H new ATOM 0 HE2 TYR A 69 11.069 0.350 0.548 1.00 55.01 H new ATOM 0 HH TYR A 69 11.916 -0.029 -1.451 1.00 54.23 H new ATOM 1167 N LEU A 70 7.576 -2.607 4.217 1.00 1.03 N ATOM 1168 CA LEU A 70 8.561 -3.041 5.216 1.00 42.43 C ATOM 1169 C LEU A 70 8.617 -4.578 5.295 1.00 52.44 C ATOM 1170 O LEU A 70 9.672 -5.157 5.558 1.00 52.24 O ATOM 1171 CB LEU A 70 8.234 -2.442 6.594 1.00 34.32 C ATOM 1172 CG LEU A 70 8.273 -0.904 6.665 1.00 15.32 C ATOM 1173 CD1 LEU A 70 7.909 -0.415 8.065 1.00 53.12 C ATOM 1174 CD2 LEU A 70 9.643 -0.373 6.247 1.00 23.35 C ATOM 0 H LEU A 70 6.809 -2.051 4.596 1.00 1.03 H new ATOM 0 HA LEU A 70 9.541 -2.679 4.907 1.00 42.43 H new ATOM 0 HB2 LEU A 70 7.241 -2.779 6.893 1.00 34.32 H new ATOM 0 HB3 LEU A 70 8.939 -2.842 7.323 1.00 34.32 H new ATOM 0 HG LEU A 70 7.532 -0.517 5.966 1.00 15.32 H new ATOM 0 HD11 LEU A 70 7.943 0.674 8.090 1.00 53.12 H new ATOM 0 HD12 LEU A 70 6.904 -0.752 8.318 1.00 53.12 H new ATOM 0 HD13 LEU A 70 8.619 -0.817 8.787 1.00 53.12 H new ATOM 0 HD21 LEU A 70 9.645 0.715 6.306 1.00 23.35 H new ATOM 0 HD22 LEU A 70 10.407 -0.774 6.913 1.00 23.35 H new ATOM 0 HD23 LEU A 70 9.856 -0.682 5.223 1.00 23.35 H new ATOM 1186 N LYS A 71 7.475 -5.231 5.053 1.00 34.54 N ATOM 1187 CA LYS A 71 7.421 -6.700 4.958 1.00 53.01 C ATOM 1188 C LYS A 71 8.300 -7.202 3.804 1.00 41.42 C ATOM 1189 O LYS A 71 8.903 -8.274 3.883 1.00 71.14 O ATOM 1190 CB LYS A 71 5.971 -7.180 4.771 1.00 50.21 C ATOM 1191 CG LYS A 71 5.066 -6.869 5.960 1.00 62.03 C ATOM 1192 CD LYS A 71 3.599 -7.247 5.708 1.00 4.22 C ATOM 1193 CE LYS A 71 3.411 -8.737 5.411 1.00 31.24 C ATOM 1194 NZ LYS A 71 3.548 -9.053 3.960 1.00 4.33 N ATOM 0 H LYS A 71 6.575 -4.769 4.919 1.00 34.54 H new ATOM 0 HA LYS A 71 7.805 -7.113 5.891 1.00 53.01 H new ATOM 0 HB2 LYS A 71 5.555 -6.714 3.877 1.00 50.21 H new ATOM 0 HB3 LYS A 71 5.973 -8.256 4.598 1.00 50.21 H new ATOM 0 HG2 LYS A 71 5.429 -7.405 6.837 1.00 62.03 H new ATOM 0 HG3 LYS A 71 5.128 -5.805 6.189 1.00 62.03 H new ATOM 0 HD2 LYS A 71 3.004 -6.978 6.581 1.00 4.22 H new ATOM 0 HD3 LYS A 71 3.217 -6.664 4.870 1.00 4.22 H new ATOM 0 HE2 LYS A 71 4.145 -9.312 5.975 1.00 31.24 H new ATOM 0 HE3 LYS A 71 2.426 -9.051 5.756 1.00 31.24 H new ATOM 0 HZ1 LYS A 71 3.785 -10.059 3.845 1.00 4.33 H new ATOM 0 HZ2 LYS A 71 2.651 -8.850 3.474 1.00 4.33 H new ATOM 0 HZ3 LYS A 71 4.304 -8.470 3.548 1.00 4.33 H new ATOM 1208 N LEU A 72 8.377 -6.410 2.739 1.00 22.22 N ATOM 1209 CA LEU A 72 9.263 -6.712 1.611 1.00 34.11 C ATOM 1210 C LEU A 72 10.730 -6.418 1.978 1.00 35.42 C ATOM 1211 O LEU A 72 11.635 -7.180 1.636 1.00 50.41 O ATOM 1212 CB LEU A 72 8.847 -5.891 0.379 1.00 44.45 C ATOM 1213 CG LEU A 72 9.647 -6.164 -0.907 1.00 71.01 C ATOM 1214 CD1 LEU A 72 9.462 -7.610 -1.364 1.00 62.13 C ATOM 1215 CD2 LEU A 72 9.244 -5.188 -2.013 1.00 12.13 C ATOM 0 H LEU A 72 7.837 -5.552 2.630 1.00 22.22 H new ATOM 0 HA LEU A 72 9.175 -7.773 1.376 1.00 34.11 H new ATOM 0 HB2 LEU A 72 7.793 -6.083 0.177 1.00 44.45 H new ATOM 0 HB3 LEU A 72 8.937 -4.833 0.623 1.00 44.45 H new ATOM 0 HG LEU A 72 10.704 -6.011 -0.689 1.00 71.01 H new ATOM 0 HD11 LEU A 72 10.036 -7.780 -2.275 1.00 62.13 H new ATOM 0 HD12 LEU A 72 9.811 -8.286 -0.583 1.00 62.13 H new ATOM 0 HD13 LEU A 72 8.406 -7.797 -1.561 1.00 62.13 H new ATOM 0 HD21 LEU A 72 9.822 -5.399 -2.913 1.00 12.13 H new ATOM 0 HD22 LEU A 72 8.182 -5.301 -2.229 1.00 12.13 H new ATOM 0 HD23 LEU A 72 9.441 -4.167 -1.687 1.00 12.13 H new ATOM 1227 N GLN A 73 10.951 -5.312 2.693 1.00 62.05 N ATOM 1228 CA GLN A 73 12.304 -4.913 3.106 1.00 72.11 C ATOM 1229 C GLN A 73 12.947 -5.947 4.045 1.00 32.24 C ATOM 1230 O GLN A 73 14.109 -6.309 3.870 1.00 14.30 O ATOM 1231 CB GLN A 73 12.285 -3.533 3.782 1.00 14.24 C ATOM 1232 CG GLN A 73 11.829 -2.396 2.873 1.00 51.24 C ATOM 1233 CD GLN A 73 12.641 -2.300 1.586 1.00 41.23 C ATOM 1234 OE1 GLN A 73 13.680 -1.649 1.534 1.00 2.55 O ATOM 1235 NE2 GLN A 73 12.167 -2.939 0.532 1.00 43.02 N ATOM 0 H GLN A 73 10.214 -4.676 2.999 1.00 62.05 H new ATOM 0 HA GLN A 73 12.909 -4.859 2.201 1.00 72.11 H new ATOM 0 HB2 GLN A 73 11.627 -3.575 4.650 1.00 14.24 H new ATOM 0 HB3 GLN A 73 13.286 -3.308 4.152 1.00 14.24 H new ATOM 0 HG2 GLN A 73 10.778 -2.537 2.623 1.00 51.24 H new ATOM 0 HG3 GLN A 73 11.904 -1.453 3.414 1.00 51.24 H new ATOM 0 HE21 GLN A 73 11.301 -3.472 0.606 1.00 43.02 H new ATOM 0 HE22 GLN A 73 12.667 -2.899 -0.356 1.00 43.02 H new