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 Set 1.1: A 41 CYS SG : rot -19:sc= -1.49! USER MOD Set 1.2: A 51 SER OG : rot 45:sc= 0.953 USER MOD Set 2.1: A 34 SER OG : rot -85:sc= 1.01 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -163:sc= 1.12 (180deg=-0.00063) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0.464 (180deg=0.307) USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 71:sc= -0.344 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -109:sc= -1.04 (180deg=-2.24!) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 40 ASN : amide:sc= -0.982 K(o=-0.98,f=-5.2!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.21) 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 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 172:sc= 0.849 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 69 TYR OH : rot -9:sc= 0.076 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc=-0.00504 (180deg=-0.139) USER MOD Single : A 73 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.631 6.639 -2.470 1.00 15.34 N ATOM 220 CA ILE A 15 10.361 5.995 -2.826 1.00 41.54 C ATOM 221 C ILE A 15 9.195 6.553 -1.996 1.00 24.12 C ATOM 222 O ILE A 15 9.106 6.317 -0.791 1.00 51.41 O ATOM 223 CB ILE A 15 10.450 4.460 -2.623 1.00 1.52 C ATOM 224 CG1 ILE A 15 11.555 3.867 -3.516 1.00 5.12 C ATOM 225 CG2 ILE A 15 9.103 3.791 -2.906 1.00 11.02 C ATOM 226 CD1 ILE A 15 11.760 2.379 -3.331 1.00 60.05 C ATOM 0 HA ILE A 15 10.173 6.211 -3.878 1.00 41.54 H new ATOM 0 HB ILE A 15 10.706 4.265 -1.581 1.00 1.52 H new ATOM 0 HG12 ILE A 15 11.309 4.063 -4.560 1.00 5.12 H new ATOM 0 HG13 ILE A 15 12.493 4.382 -3.307 1.00 5.12 H new ATOM 0 HG21 ILE A 15 9.193 2.715 -2.756 1.00 11.02 H new ATOM 0 HG22 ILE A 15 8.349 4.190 -2.228 1.00 11.02 H new ATOM 0 HG23 ILE A 15 8.807 3.991 -3.936 1.00 11.02 H new ATOM 0 HD11 ILE A 15 12.554 2.036 -3.994 1.00 60.05 H new ATOM 0 HD12 ILE A 15 12.038 2.176 -2.297 1.00 60.05 H new ATOM 0 HD13 ILE A 15 10.836 1.852 -3.569 1.00 60.05 H new ATOM 238 N THR A 16 8.306 7.301 -2.645 1.00 42.22 N ATOM 239 CA THR A 16 7.134 7.873 -1.966 1.00 51.15 C ATOM 240 C THR A 16 5.954 6.892 -1.965 1.00 14.44 C ATOM 241 O THR A 16 5.999 5.865 -2.646 1.00 3.31 O ATOM 242 CB THR A 16 6.686 9.200 -2.626 1.00 44.21 C ATOM 243 OG1 THR A 16 6.261 8.970 -3.980 1.00 73.41 O ATOM 244 CG2 THR A 16 7.817 10.223 -2.614 1.00 3.14 C ATOM 0 H THR A 16 8.370 7.528 -3.637 1.00 42.22 H new ATOM 0 HA THR A 16 7.437 8.071 -0.938 1.00 51.15 H new ATOM 0 HB THR A 16 5.850 9.594 -2.049 1.00 44.21 H new ATOM 0 HG1 THR A 16 5.979 9.818 -4.383 1.00 73.41 H new ATOM 0 HG21 THR A 16 7.477 11.146 -3.083 1.00 3.14 H new ATOM 0 HG22 THR A 16 8.113 10.426 -1.585 1.00 3.14 H new ATOM 0 HG23 THR A 16 8.670 9.828 -3.166 1.00 3.14 H new ATOM 252 N LEU A 17 4.896 7.220 -1.212 1.00 1.22 N ATOM 253 CA LEU A 17 3.716 6.342 -1.079 1.00 34.04 C ATOM 254 C LEU A 17 3.174 5.876 -2.443 1.00 63.43 C ATOM 255 O LEU A 17 2.783 4.719 -2.598 1.00 74.55 O ATOM 256 CB LEU A 17 2.606 7.061 -0.296 1.00 65.41 C ATOM 257 CG LEU A 17 1.301 6.263 -0.109 1.00 42.32 C ATOM 258 CD1 LEU A 17 1.560 4.960 0.645 1.00 64.51 C ATOM 259 CD2 LEU A 17 0.252 7.105 0.612 1.00 71.44 C ATOM 0 H LEU A 17 4.829 8.089 -0.682 1.00 1.22 H new ATOM 0 HA LEU A 17 4.037 5.454 -0.534 1.00 34.04 H new ATOM 0 HB2 LEU A 17 2.993 7.326 0.688 1.00 65.41 H new ATOM 0 HB3 LEU A 17 2.370 7.994 -0.808 1.00 65.41 H new ATOM 0 HG LEU A 17 0.916 6.010 -1.097 1.00 42.32 H new ATOM 0 HD11 LEU A 17 0.623 4.416 0.764 1.00 64.51 H new ATOM 0 HD12 LEU A 17 2.266 4.349 0.083 1.00 64.51 H new ATOM 0 HD13 LEU A 17 1.976 5.184 1.627 1.00 64.51 H new ATOM 0 HD21 LEU A 17 -0.661 6.523 0.734 1.00 71.44 H new ATOM 0 HD22 LEU A 17 0.630 7.396 1.592 1.00 71.44 H new ATOM 0 HD23 LEU A 17 0.037 7.999 0.026 1.00 71.44 H new ATOM 271 N GLN A 18 3.150 6.777 -3.420 1.00 70.05 N ATOM 272 CA GLN A 18 2.724 6.437 -4.785 1.00 10.15 C ATOM 273 C GLN A 18 3.512 5.234 -5.343 1.00 5.42 C ATOM 274 O GLN A 18 2.931 4.203 -5.692 1.00 45.22 O ATOM 275 CB GLN A 18 2.902 7.656 -5.699 1.00 72.03 C ATOM 276 CG GLN A 18 2.604 7.382 -7.170 1.00 4.42 C ATOM 277 CD GLN A 18 2.762 8.617 -8.039 1.00 11.35 C ATOM 278 OE1 GLN A 18 3.539 9.515 -7.732 1.00 50.34 O ATOM 279 NE2 GLN A 18 2.037 8.668 -9.135 1.00 33.10 N ATOM 0 H GLN A 18 3.420 7.753 -3.297 1.00 70.05 H new ATOM 0 HA GLN A 18 1.672 6.154 -4.752 1.00 10.15 H new ATOM 0 HB2 GLN A 18 2.249 8.456 -5.350 1.00 72.03 H new ATOM 0 HB3 GLN A 18 3.926 8.018 -5.608 1.00 72.03 H new ATOM 0 HG2 GLN A 18 3.271 6.600 -7.532 1.00 4.42 H new ATOM 0 HG3 GLN A 18 1.587 7.003 -7.266 1.00 4.42 H new ATOM 0 HE21 GLN A 18 1.400 7.904 -9.361 1.00 33.10 H new ATOM 0 HE22 GLN A 18 2.112 9.472 -9.759 1.00 33.10 H new ATOM 288 N LYS A 19 4.834 5.376 -5.410 1.00 61.51 N ATOM 289 CA LYS A 19 5.717 4.313 -5.911 1.00 72.43 C ATOM 290 C LYS A 19 5.624 3.058 -5.028 1.00 51.24 C ATOM 291 O LYS A 19 5.538 1.931 -5.524 1.00 41.23 O ATOM 292 CB LYS A 19 7.164 4.829 -5.938 1.00 73.33 C ATOM 293 CG LYS A 19 8.186 3.852 -6.519 1.00 55.42 C ATOM 294 CD LYS A 19 7.937 3.581 -8.001 1.00 34.32 C ATOM 295 CE LYS A 19 9.109 2.850 -8.647 1.00 63.10 C ATOM 296 NZ LYS A 19 9.375 1.537 -8.009 1.00 5.32 N ATOM 0 H LYS A 19 5.325 6.222 -5.122 1.00 61.51 H new ATOM 0 HA LYS A 19 5.402 4.041 -6.918 1.00 72.43 H new ATOM 0 HB2 LYS A 19 7.194 5.751 -6.518 1.00 73.33 H new ATOM 0 HB3 LYS A 19 7.463 5.082 -4.921 1.00 73.33 H new ATOM 0 HG2 LYS A 19 9.190 4.256 -6.388 1.00 55.42 H new ATOM 0 HG3 LYS A 19 8.145 2.913 -5.967 1.00 55.42 H new ATOM 0 HD2 LYS A 19 7.030 2.986 -8.115 1.00 34.32 H new ATOM 0 HD3 LYS A 19 7.767 4.524 -8.520 1.00 34.32 H new ATOM 0 HE2 LYS A 19 8.902 2.701 -9.707 1.00 63.10 H new ATOM 0 HE3 LYS A 19 10.002 3.471 -8.581 1.00 63.10 H new ATOM 0 HZ1 LYS A 19 10.258 1.139 -8.388 1.00 5.32 H new ATOM 0 HZ2 LYS A 19 9.465 1.663 -6.981 1.00 5.32 H new ATOM 0 HZ3 LYS A 19 8.588 0.887 -8.211 1.00 5.32 H new ATOM 310 N LEU A 20 5.632 3.279 -3.714 1.00 54.31 N ATOM 311 CA LEU A 20 5.566 2.204 -2.718 1.00 32.53 C ATOM 312 C LEU A 20 4.312 1.329 -2.916 1.00 53.30 C ATOM 313 O LEU A 20 4.410 0.110 -3.073 1.00 63.11 O ATOM 314 CB LEU A 20 5.598 2.832 -1.307 1.00 23.01 C ATOM 315 CG LEU A 20 5.720 1.860 -0.114 1.00 11.34 C ATOM 316 CD1 LEU A 20 6.323 2.573 1.092 1.00 11.04 C ATOM 317 CD2 LEU A 20 4.362 1.268 0.263 1.00 45.32 C ATOM 0 H LEU A 20 5.685 4.212 -3.306 1.00 54.31 H new ATOM 0 HA LEU A 20 6.426 1.546 -2.840 1.00 32.53 H new ATOM 0 HB2 LEU A 20 6.435 3.529 -1.264 1.00 23.01 H new ATOM 0 HB3 LEU A 20 4.689 3.418 -1.176 1.00 23.01 H new ATOM 0 HG LEU A 20 6.377 1.045 -0.418 1.00 11.34 H new ATOM 0 HD11 LEU A 20 6.403 1.875 1.925 1.00 11.04 H new ATOM 0 HD12 LEU A 20 7.314 2.947 0.836 1.00 11.04 H new ATOM 0 HD13 LEU A 20 5.683 3.408 1.378 1.00 11.04 H new ATOM 0 HD21 LEU A 20 4.483 0.588 1.106 1.00 45.32 H new ATOM 0 HD22 LEU A 20 3.679 2.071 0.540 1.00 45.32 H new ATOM 0 HD23 LEU A 20 3.954 0.722 -0.588 1.00 45.32 H new ATOM 329 N LEU A 21 3.138 1.961 -2.913 1.00 33.15 N ATOM 330 CA LEU A 21 1.871 1.252 -3.133 1.00 24.15 C ATOM 331 C LEU A 21 1.873 0.516 -4.482 1.00 53.21 C ATOM 332 O LEU A 21 1.413 -0.623 -4.582 1.00 32.45 O ATOM 333 CB LEU A 21 0.692 2.239 -3.072 1.00 33.44 C ATOM 334 CG LEU A 21 -0.706 1.626 -3.279 1.00 54.24 C ATOM 335 CD1 LEU A 21 -1.017 0.598 -2.189 1.00 24.41 C ATOM 336 CD2 LEU A 21 -1.777 2.717 -3.315 1.00 52.53 C ATOM 0 H LEU A 21 3.035 2.964 -2.761 1.00 33.15 H new ATOM 0 HA LEU A 21 1.758 0.511 -2.342 1.00 24.15 H new ATOM 0 HB2 LEU A 21 0.710 2.738 -2.103 1.00 33.44 H new ATOM 0 HB3 LEU A 21 0.847 3.008 -3.829 1.00 33.44 H new ATOM 0 HG LEU A 21 -0.711 1.113 -4.240 1.00 54.24 H new ATOM 0 HD11 LEU A 21 -2.009 0.179 -2.356 1.00 24.41 H new ATOM 0 HD12 LEU A 21 -0.276 -0.201 -2.220 1.00 24.41 H new ATOM 0 HD13 LEU A 21 -0.988 1.082 -1.213 1.00 24.41 H new ATOM 0 HD21 LEU A 21 -2.756 2.261 -3.462 1.00 52.53 H new ATOM 0 HD22 LEU A 21 -1.770 3.265 -2.373 1.00 52.53 H new ATOM 0 HD23 LEU A 21 -1.570 3.404 -4.136 1.00 52.53 H new ATOM 348 N THR A 22 2.411 1.168 -5.512 1.00 63.23 N ATOM 349 CA THR A 22 2.498 0.566 -6.852 1.00 4.40 C ATOM 350 C THR A 22 3.239 -0.782 -6.816 1.00 42.41 C ATOM 351 O THR A 22 2.721 -1.794 -7.286 1.00 21.12 O ATOM 352 CB THR A 22 3.208 1.508 -7.861 1.00 60.10 C ATOM 353 OG1 THR A 22 2.472 2.738 -7.998 1.00 72.12 O ATOM 354 CG2 THR A 22 3.356 0.853 -9.236 1.00 12.23 C ATOM 0 H THR A 22 2.794 2.111 -5.450 1.00 63.23 H new ATOM 0 HA THR A 22 1.472 0.403 -7.183 1.00 4.40 H new ATOM 0 HB THR A 22 4.204 1.714 -7.468 1.00 60.10 H new ATOM 0 HG1 THR A 22 2.618 3.296 -7.206 1.00 72.12 H new ATOM 0 HG21 THR A 22 3.857 1.542 -9.915 1.00 12.23 H new ATOM 0 HG22 THR A 22 3.946 -0.059 -9.143 1.00 12.23 H new ATOM 0 HG23 THR A 22 2.370 0.608 -9.630 1.00 12.23 H new ATOM 362 N GLU A 23 4.444 -0.792 -6.240 1.00 55.54 N ATOM 363 CA GLU A 23 5.240 -2.024 -6.134 1.00 64.51 C ATOM 364 C GLU A 23 4.512 -3.106 -5.317 1.00 64.21 C ATOM 365 O GLU A 23 4.609 -4.299 -5.620 1.00 2.34 O ATOM 366 CB GLU A 23 6.616 -1.725 -5.516 1.00 14.33 C ATOM 367 CG GLU A 23 7.505 -0.857 -6.400 1.00 74.53 C ATOM 368 CD GLU A 23 8.890 -0.636 -5.813 1.00 61.20 C ATOM 369 OE1 GLU A 23 9.659 -1.613 -5.707 1.00 34.42 O ATOM 370 OE2 GLU A 23 9.220 0.516 -5.464 1.00 23.43 O ATOM 0 H GLU A 23 4.891 0.033 -5.841 1.00 55.54 H new ATOM 0 HA GLU A 23 5.380 -2.410 -7.144 1.00 64.51 H new ATOM 0 HB2 GLU A 23 6.474 -1.227 -4.557 1.00 14.33 H new ATOM 0 HB3 GLU A 23 7.127 -2.666 -5.314 1.00 14.33 H new ATOM 0 HG2 GLU A 23 7.602 -1.325 -7.380 1.00 74.53 H new ATOM 0 HG3 GLU A 23 7.023 0.109 -6.554 1.00 74.53 H new ATOM 377 N LEU A 24 3.776 -2.690 -4.285 1.00 31.40 N ATOM 378 CA LEU A 24 2.973 -3.630 -3.492 1.00 2.24 C ATOM 379 C LEU A 24 1.870 -4.271 -4.349 1.00 74.33 C ATOM 380 O LEU A 24 1.593 -5.464 -4.236 1.00 21.42 O ATOM 381 CB LEU A 24 2.353 -2.931 -2.276 1.00 65.24 C ATOM 382 CG LEU A 24 3.351 -2.412 -1.229 1.00 12.41 C ATOM 383 CD1 LEU A 24 2.612 -1.869 -0.010 1.00 73.42 C ATOM 384 CD2 LEU A 24 4.331 -3.510 -0.824 1.00 71.12 C ATOM 0 H LEU A 24 3.717 -1.719 -3.979 1.00 31.40 H new ATOM 0 HA LEU A 24 3.640 -4.417 -3.139 1.00 2.24 H new ATOM 0 HB2 LEU A 24 1.754 -2.091 -2.628 1.00 65.24 H new ATOM 0 HB3 LEU A 24 1.671 -3.627 -1.788 1.00 65.24 H new ATOM 0 HG LEU A 24 3.922 -1.597 -1.674 1.00 12.41 H new ATOM 0 HD11 LEU A 24 3.334 -1.506 0.721 1.00 73.42 H new ATOM 0 HD12 LEU A 24 1.961 -1.050 -0.315 1.00 73.42 H new ATOM 0 HD13 LEU A 24 2.013 -2.663 0.436 1.00 73.42 H new ATOM 0 HD21 LEU A 24 5.028 -3.120 -0.082 1.00 71.12 H new ATOM 0 HD22 LEU A 24 3.781 -4.350 -0.399 1.00 71.12 H new ATOM 0 HD23 LEU A 24 4.885 -3.845 -1.701 1.00 71.12 H new ATOM 396 N VAL A 25 1.247 -3.473 -5.207 1.00 1.24 N ATOM 397 CA VAL A 25 0.227 -3.978 -6.129 1.00 60.14 C ATOM 398 C VAL A 25 0.842 -4.910 -7.189 1.00 20.14 C ATOM 399 O VAL A 25 0.265 -5.939 -7.541 1.00 13.11 O ATOM 400 CB VAL A 25 -0.515 -2.816 -6.832 1.00 71.22 C ATOM 401 CG1 VAL A 25 -1.553 -3.345 -7.818 1.00 33.44 C ATOM 402 CG2 VAL A 25 -1.167 -1.894 -5.803 1.00 41.32 C ATOM 0 H VAL A 25 1.427 -2.472 -5.287 1.00 1.24 H new ATOM 0 HA VAL A 25 -0.488 -4.546 -5.534 1.00 60.14 H new ATOM 0 HB VAL A 25 0.218 -2.239 -7.395 1.00 71.22 H new ATOM 0 HG11 VAL A 25 -2.059 -2.507 -8.298 1.00 33.44 H new ATOM 0 HG12 VAL A 25 -1.058 -3.952 -8.576 1.00 33.44 H new ATOM 0 HG13 VAL A 25 -2.284 -3.954 -7.285 1.00 33.44 H new ATOM 0 HG21 VAL A 25 -1.684 -1.083 -6.317 1.00 41.32 H new ATOM 0 HG22 VAL A 25 -1.883 -2.461 -5.208 1.00 41.32 H new ATOM 0 HG23 VAL A 25 -0.400 -1.479 -5.149 1.00 41.32 H new ATOM 412 N GLU A 26 2.021 -4.546 -7.685 1.00 13.53 N ATOM 413 CA GLU A 26 2.727 -5.348 -8.690 1.00 11.54 C ATOM 414 C GLU A 26 3.214 -6.694 -8.116 1.00 14.23 C ATOM 415 O GLU A 26 3.272 -7.700 -8.829 1.00 41.31 O ATOM 416 CB GLU A 26 3.921 -4.557 -9.248 1.00 13.25 C ATOM 417 CG GLU A 26 3.536 -3.261 -9.958 1.00 72.15 C ATOM 418 CD GLU A 26 2.727 -3.499 -11.225 1.00 51.44 C ATOM 419 OE1 GLU A 26 3.333 -3.851 -12.260 1.00 45.24 O ATOM 420 OE2 GLU A 26 1.488 -3.336 -11.196 1.00 72.03 O ATOM 0 H GLU A 26 2.513 -3.697 -7.408 1.00 13.53 H new ATOM 0 HA GLU A 26 2.021 -5.566 -9.492 1.00 11.54 H new ATOM 0 HB2 GLU A 26 4.601 -4.321 -8.429 1.00 13.25 H new ATOM 0 HB3 GLU A 26 4.469 -5.191 -9.945 1.00 13.25 H new ATOM 0 HG2 GLU A 26 2.959 -2.636 -9.276 1.00 72.15 H new ATOM 0 HG3 GLU A 26 4.441 -2.707 -10.209 1.00 72.15 H new ATOM 427 N HIS A 27 3.580 -6.699 -6.833 1.00 4.04 N ATOM 428 CA HIS A 27 4.076 -7.912 -6.162 1.00 4.14 C ATOM 429 C HIS A 27 2.946 -8.667 -5.433 1.00 15.33 C ATOM 430 O HIS A 27 2.643 -9.814 -5.757 1.00 74.15 O ATOM 431 CB HIS A 27 5.187 -7.535 -5.169 1.00 51.13 C ATOM 432 CG HIS A 27 5.818 -8.709 -4.477 1.00 11.21 C ATOM 433 ND1 HIS A 27 6.959 -9.323 -4.935 1.00 61.21 N ATOM 434 CD2 HIS A 27 5.475 -9.363 -3.341 1.00 55.30 C ATOM 435 CE1 HIS A 27 7.292 -10.300 -4.118 1.00 21.42 C ATOM 436 NE2 HIS A 27 6.410 -10.347 -3.142 1.00 70.43 N ATOM 0 H HIS A 27 3.544 -5.876 -6.232 1.00 4.04 H new ATOM 0 HA HIS A 27 4.475 -8.580 -6.926 1.00 4.14 H new ATOM 0 HB2 HIS A 27 5.961 -6.981 -5.700 1.00 51.13 H new ATOM 0 HB3 HIS A 27 4.774 -6.863 -4.417 1.00 51.13 H new ATOM 0 HD2 HIS A 27 4.625 -9.150 -2.710 1.00 55.30 H new ATOM 0 HE1 HIS A 27 8.145 -10.953 -4.230 1.00 21.42 H new ATOM 0 HE2 HIS A 27 6.420 -11.007 -2.365 1.00 70.43 H new ATOM 445 N TYR A 28 2.341 -8.018 -4.438 1.00 64.31 N ATOM 446 CA TYR A 28 1.274 -8.638 -3.636 1.00 60.33 C ATOM 447 C TYR A 28 -0.063 -8.662 -4.399 1.00 1.43 C ATOM 448 O TYR A 28 -0.715 -9.705 -4.505 1.00 22.00 O ATOM 449 CB TYR A 28 1.088 -7.882 -2.308 1.00 63.44 C ATOM 450 CG TYR A 28 2.301 -7.901 -1.393 1.00 53.23 C ATOM 451 CD1 TYR A 28 3.334 -6.987 -1.553 1.00 32.40 C ATOM 452 CD2 TYR A 28 2.402 -8.825 -0.359 1.00 55.20 C ATOM 453 CE1 TYR A 28 4.434 -6.993 -0.715 1.00 4.44 C ATOM 454 CE2 TYR A 28 3.499 -8.839 0.482 1.00 43.02 C ATOM 455 CZ TYR A 28 4.510 -7.920 0.302 1.00 11.25 C ATOM 456 OH TYR A 28 5.602 -7.929 1.142 1.00 60.40 O ATOM 0 H TYR A 28 2.568 -7.062 -4.164 1.00 64.31 H new ATOM 0 HA TYR A 28 1.577 -9.665 -3.432 1.00 60.33 H new ATOM 0 HB2 TYR A 28 0.832 -6.846 -2.528 1.00 63.44 H new ATOM 0 HB3 TYR A 28 0.241 -8.314 -1.775 1.00 63.44 H new ATOM 0 HD1 TYR A 28 3.277 -6.257 -2.347 1.00 32.40 H new ATOM 0 HD2 TYR A 28 1.610 -9.544 -0.210 1.00 55.20 H new ATOM 0 HE1 TYR A 28 5.229 -6.276 -0.857 1.00 4.44 H new ATOM 0 HE2 TYR A 28 3.563 -9.567 1.277 1.00 43.02 H new ATOM 0 HH TYR A 28 5.575 -7.140 1.722 1.00 60.40 H new ATOM 466 N GLY A 29 -0.462 -7.507 -4.924 1.00 13.31 N ATOM 467 CA GLY A 29 -1.755 -7.383 -5.599 1.00 24.43 C ATOM 468 C GLY A 29 -2.835 -6.799 -4.694 1.00 24.42 C ATOM 469 O GLY A 29 -2.741 -6.894 -3.468 1.00 60.34 O ATOM 0 H GLY A 29 0.086 -6.647 -4.897 1.00 13.31 H new ATOM 0 HA2 GLY A 29 -1.642 -6.750 -6.479 1.00 24.43 H new ATOM 0 HA3 GLY A 29 -2.073 -8.364 -5.951 1.00 24.43 H new ATOM 473 N TRP A 30 -3.869 -6.205 -5.292 1.00 64.24 N ATOM 474 CA TRP A 30 -4.934 -5.545 -4.522 1.00 34.50 C ATOM 475 C TRP A 30 -5.609 -6.492 -3.513 1.00 73.52 C ATOM 476 O TRP A 30 -5.843 -6.110 -2.366 1.00 22.51 O ATOM 477 CB TRP A 30 -5.999 -4.958 -5.459 1.00 64.52 C ATOM 478 CG TRP A 30 -5.504 -3.823 -6.306 1.00 31.43 C ATOM 479 CD1 TRP A 30 -5.284 -3.835 -7.655 1.00 41.33 C ATOM 480 CD2 TRP A 30 -5.172 -2.501 -5.860 1.00 62.32 C ATOM 481 NE1 TRP A 30 -4.843 -2.604 -8.072 1.00 43.20 N ATOM 482 CE2 TRP A 30 -4.764 -1.769 -6.990 1.00 23.02 C ATOM 483 CE3 TRP A 30 -5.183 -1.866 -4.613 1.00 11.22 C ATOM 484 CZ2 TRP A 30 -4.373 -0.435 -6.911 1.00 11.11 C ATOM 485 CZ3 TRP A 30 -4.791 -0.542 -4.537 1.00 4.23 C ATOM 486 CH2 TRP A 30 -4.392 0.160 -5.679 1.00 44.01 C ATOM 0 H TRP A 30 -3.995 -6.165 -6.303 1.00 64.24 H new ATOM 0 HA TRP A 30 -4.454 -4.744 -3.959 1.00 34.50 H new ATOM 0 HB2 TRP A 30 -6.372 -5.749 -6.110 1.00 64.52 H new ATOM 0 HB3 TRP A 30 -6.843 -4.612 -4.862 1.00 64.52 H new ATOM 0 HD1 TRP A 30 -5.435 -4.689 -8.299 1.00 41.33 H new ATOM 0 HE1 TRP A 30 -4.612 -2.352 -9.033 1.00 43.20 H new ATOM 0 HE3 TRP A 30 -5.492 -2.400 -3.727 1.00 11.22 H new ATOM 0 HZ2 TRP A 30 -4.066 0.111 -7.791 1.00 11.11 H new ATOM 0 HZ3 TRP A 30 -4.793 -0.042 -3.580 1.00 4.23 H new ATOM 0 HH2 TRP A 30 -4.093 1.194 -5.586 1.00 44.01 H new ATOM 497 N GLU A 31 -5.917 -7.719 -3.939 1.00 63.14 N ATOM 498 CA GLU A 31 -6.610 -8.688 -3.073 1.00 60.04 C ATOM 499 C GLU A 31 -5.794 -9.021 -1.818 1.00 51.43 C ATOM 500 O GLU A 31 -6.324 -9.041 -0.708 1.00 64.22 O ATOM 501 CB GLU A 31 -6.922 -9.982 -3.835 1.00 22.41 C ATOM 502 CG GLU A 31 -7.819 -9.782 -5.048 1.00 55.45 C ATOM 503 CD GLU A 31 -8.218 -11.096 -5.698 1.00 43.43 C ATOM 504 OE1 GLU A 31 -7.346 -11.766 -6.285 1.00 3.34 O ATOM 505 OE2 GLU A 31 -9.408 -11.466 -5.618 1.00 12.24 O ATOM 0 H GLU A 31 -5.701 -8.068 -4.873 1.00 63.14 H new ATOM 0 HA GLU A 31 -7.543 -8.218 -2.762 1.00 60.04 H new ATOM 0 HB2 GLU A 31 -5.986 -10.436 -4.159 1.00 22.41 H new ATOM 0 HB3 GLU A 31 -7.400 -10.687 -3.154 1.00 22.41 H new ATOM 0 HG2 GLU A 31 -8.717 -9.242 -4.747 1.00 55.45 H new ATOM 0 HG3 GLU A 31 -7.303 -9.160 -5.779 1.00 55.45 H new ATOM 512 N GLU A 32 -4.502 -9.280 -1.998 1.00 25.14 N ATOM 513 CA GLU A 32 -3.630 -9.631 -0.874 1.00 74.13 C ATOM 514 C GLU A 32 -3.458 -8.438 0.082 1.00 13.03 C ATOM 515 O GLU A 32 -3.575 -8.587 1.300 1.00 20.41 O ATOM 516 CB GLU A 32 -2.275 -10.139 -1.388 1.00 21.30 C ATOM 517 CG GLU A 32 -1.366 -10.693 -0.292 1.00 61.13 C ATOM 518 CD GLU A 32 -0.330 -11.668 -0.830 1.00 53.01 C ATOM 519 OE1 GLU A 32 0.658 -11.220 -1.441 1.00 33.24 O ATOM 520 OE2 GLU A 32 -0.503 -12.894 -0.643 1.00 42.01 O ATOM 0 H GLU A 32 -4.035 -9.255 -2.904 1.00 25.14 H new ATOM 0 HA GLU A 32 -4.100 -10.436 -0.309 1.00 74.13 H new ATOM 0 HB2 GLU A 32 -2.448 -10.917 -2.131 1.00 21.30 H new ATOM 0 HB3 GLU A 32 -1.761 -9.323 -1.895 1.00 21.30 H new ATOM 0 HG2 GLU A 32 -0.858 -9.867 0.206 1.00 61.13 H new ATOM 0 HG3 GLU A 32 -1.974 -11.194 0.461 1.00 61.13 H new ATOM 527 N LEU A 33 -3.215 -7.247 -0.472 1.00 53.22 N ATOM 528 CA LEU A 33 -3.179 -6.013 0.331 1.00 33.32 C ATOM 529 C LEU A 33 -4.500 -5.838 1.098 1.00 64.25 C ATOM 530 O LEU A 33 -4.518 -5.454 2.271 1.00 23.04 O ATOM 531 CB LEU A 33 -2.929 -4.793 -0.574 1.00 74.11 C ATOM 532 CG LEU A 33 -1.612 -4.812 -1.368 1.00 4.22 C ATOM 533 CD1 LEU A 33 -1.521 -3.600 -2.294 1.00 13.01 C ATOM 534 CD2 LEU A 33 -0.414 -4.864 -0.420 1.00 33.34 C ATOM 0 H LEU A 33 -3.041 -7.107 -1.467 1.00 53.22 H new ATOM 0 HA LEU A 33 -2.363 -6.090 1.049 1.00 33.32 H new ATOM 0 HB2 LEU A 33 -3.756 -4.711 -1.279 1.00 74.11 H new ATOM 0 HB3 LEU A 33 -2.947 -3.895 0.044 1.00 74.11 H new ATOM 0 HG LEU A 33 -1.597 -5.710 -1.985 1.00 4.22 H new ATOM 0 HD11 LEU A 33 -0.582 -3.634 -2.846 1.00 13.01 H new ATOM 0 HD12 LEU A 33 -2.355 -3.615 -2.996 1.00 13.01 H new ATOM 0 HD13 LEU A 33 -1.561 -2.686 -1.702 1.00 13.01 H new ATOM 0 HD21 LEU A 33 0.509 -4.877 -1.000 1.00 33.34 H new ATOM 0 HD22 LEU A 33 -0.424 -3.987 0.227 1.00 33.34 H new ATOM 0 HD23 LEU A 33 -0.472 -5.765 0.190 1.00 33.34 H new ATOM 546 N SER A 34 -5.597 -6.147 0.411 1.00 74.02 N ATOM 547 CA SER A 34 -6.950 -6.118 0.992 1.00 61.23 C ATOM 548 C SER A 34 -7.137 -7.209 2.049 1.00 65.13 C ATOM 549 O SER A 34 -7.939 -7.061 2.973 1.00 64.22 O ATOM 550 CB SER A 34 -7.987 -6.307 -0.130 1.00 31.14 C ATOM 551 OG SER A 34 -9.304 -6.471 0.378 1.00 25.34 O ATOM 0 H SER A 34 -5.579 -6.427 -0.570 1.00 74.02 H new ATOM 0 HA SER A 34 -7.089 -5.153 1.480 1.00 61.23 H new ATOM 0 HB2 SER A 34 -7.961 -5.444 -0.795 1.00 31.14 H new ATOM 0 HB3 SER A 34 -7.719 -7.178 -0.727 1.00 31.14 H new ATOM 0 HG SER A 34 -9.452 -7.413 0.604 1.00 25.34 H new ATOM 557 N TYR A 35 -6.395 -8.308 1.913 1.00 22.51 N ATOM 558 CA TYR A 35 -6.524 -9.447 2.827 1.00 51.44 C ATOM 559 C TYR A 35 -5.976 -9.114 4.225 1.00 3.55 C ATOM 560 O TYR A 35 -6.582 -9.470 5.237 1.00 55.11 O ATOM 561 CB TYR A 35 -5.811 -10.682 2.256 1.00 53.43 C ATOM 562 CG TYR A 35 -6.277 -11.993 2.866 1.00 74.22 C ATOM 563 CD1 TYR A 35 -7.461 -12.589 2.439 1.00 2.12 C ATOM 564 CD2 TYR A 35 -5.545 -12.632 3.862 1.00 35.12 C ATOM 565 CE1 TYR A 35 -7.899 -13.779 2.984 1.00 33.44 C ATOM 566 CE2 TYR A 35 -5.979 -13.827 4.411 1.00 44.34 C ATOM 567 CZ TYR A 35 -7.156 -14.395 3.968 1.00 11.43 C ATOM 568 OH TYR A 35 -7.595 -15.584 4.514 1.00 12.00 O ATOM 0 H TYR A 35 -5.698 -8.435 1.179 1.00 22.51 H new ATOM 0 HA TYR A 35 -7.586 -9.669 2.928 1.00 51.44 H new ATOM 0 HB2 TYR A 35 -5.970 -10.716 1.178 1.00 53.43 H new ATOM 0 HB3 TYR A 35 -4.738 -10.578 2.417 1.00 53.43 H new ATOM 0 HD1 TYR A 35 -8.047 -12.112 1.668 1.00 2.12 H new ATOM 0 HD2 TYR A 35 -4.624 -12.189 4.212 1.00 35.12 H new ATOM 0 HE1 TYR A 35 -8.820 -14.226 2.641 1.00 33.44 H new ATOM 0 HE2 TYR A 35 -5.399 -14.312 5.182 1.00 44.34 H new ATOM 0 HH TYR A 35 -6.957 -15.887 5.193 1.00 12.00 H new ATOM 578 N MET A 36 -4.825 -8.441 4.281 1.00 62.42 N ATOM 579 CA MET A 36 -4.259 -8.006 5.567 1.00 54.51 C ATOM 580 C MET A 36 -4.933 -6.722 6.084 1.00 74.30 C ATOM 581 O MET A 36 -5.426 -6.683 7.213 1.00 1.35 O ATOM 582 CB MET A 36 -2.740 -7.788 5.469 1.00 4.31 C ATOM 583 CG MET A 36 -1.933 -9.072 5.307 1.00 20.00 C ATOM 584 SD MET A 36 -1.964 -9.723 3.628 1.00 65.12 S ATOM 585 CE MET A 36 -0.950 -8.514 2.776 1.00 62.02 C ATOM 0 H MET A 36 -4.270 -8.186 3.464 1.00 62.42 H new ATOM 0 HA MET A 36 -4.454 -8.809 6.278 1.00 54.51 H new ATOM 0 HB2 MET A 36 -2.532 -7.132 4.623 1.00 4.31 H new ATOM 0 HB3 MET A 36 -2.400 -7.269 6.365 1.00 4.31 H new ATOM 0 HG2 MET A 36 -0.900 -8.883 5.597 1.00 20.00 H new ATOM 0 HG3 MET A 36 -2.323 -9.827 5.990 1.00 20.00 H new ATOM 0 HE1 MET A 36 -1.578 -7.906 2.126 1.00 62.02 H new ATOM 0 HE2 MET A 36 -0.457 -7.873 3.507 1.00 62.02 H new ATOM 0 HE3 MET A 36 -0.198 -9.027 2.177 1.00 62.02 H new ATOM 595 N VAL A 37 -4.949 -5.675 5.260 1.00 11.41 N ATOM 596 CA VAL A 37 -5.521 -4.384 5.664 1.00 1.20 C ATOM 597 C VAL A 37 -7.028 -4.323 5.357 1.00 44.41 C ATOM 598 O VAL A 37 -7.434 -4.061 4.223 1.00 63.24 O ATOM 599 CB VAL A 37 -4.805 -3.205 4.953 1.00 53.21 C ATOM 600 CG1 VAL A 37 -5.288 -1.860 5.497 1.00 23.35 C ATOM 601 CG2 VAL A 37 -3.288 -3.328 5.092 1.00 24.35 C ATOM 0 H VAL A 37 -4.575 -5.691 4.311 1.00 11.41 H new ATOM 0 HA VAL A 37 -5.373 -4.292 6.740 1.00 1.20 H new ATOM 0 HB VAL A 37 -5.057 -3.251 3.894 1.00 53.21 H new ATOM 0 HG11 VAL A 37 -4.770 -1.052 4.981 1.00 23.35 H new ATOM 0 HG12 VAL A 37 -6.362 -1.766 5.333 1.00 23.35 H new ATOM 0 HG13 VAL A 37 -5.077 -1.803 6.565 1.00 23.35 H new ATOM 0 HG21 VAL A 37 -2.807 -2.491 4.586 1.00 24.35 H new ATOM 0 HG22 VAL A 37 -3.017 -3.318 6.148 1.00 24.35 H new ATOM 0 HG23 VAL A 37 -2.956 -4.263 4.641 1.00 24.35 H new ATOM 611 N ASN A 38 -7.859 -4.579 6.371 1.00 4.20 N ATOM 612 CA ASN A 38 -9.318 -4.592 6.192 1.00 24.13 C ATOM 613 C ASN A 38 -9.892 -3.175 6.009 1.00 11.31 C ATOM 614 O ASN A 38 -10.350 -2.540 6.963 1.00 71.11 O ATOM 615 CB ASN A 38 -10.001 -5.296 7.373 1.00 22.35 C ATOM 616 CG ASN A 38 -11.501 -5.458 7.174 1.00 74.34 C ATOM 617 OD1 ASN A 38 -11.988 -5.560 6.051 1.00 61.34 O ATOM 618 ND2 ASN A 38 -12.245 -5.487 8.260 1.00 14.42 N ATOM 0 H ASN A 38 -7.550 -4.780 7.322 1.00 4.20 H new ATOM 0 HA ASN A 38 -9.525 -5.149 5.278 1.00 24.13 H new ATOM 0 HB2 ASN A 38 -9.550 -6.278 7.515 1.00 22.35 H new ATOM 0 HB3 ASN A 38 -9.819 -4.726 8.284 1.00 22.35 H new ATOM 0 HD21 ASN A 38 -13.256 -5.597 8.183 1.00 14.42 H new ATOM 0 HD22 ASN A 38 -11.810 -5.400 9.179 1.00 14.42 H new ATOM 625 N ILE A 39 -9.817 -2.677 4.776 1.00 34.45 N ATOM 626 CA ILE A 39 -10.446 -1.408 4.386 1.00 23.34 C ATOM 627 C ILE A 39 -11.051 -1.522 2.978 1.00 63.12 C ATOM 628 O ILE A 39 -10.556 -2.280 2.139 1.00 61.52 O ATOM 629 CB ILE A 39 -9.445 -0.217 4.410 1.00 2.33 C ATOM 630 CG1 ILE A 39 -8.209 -0.529 3.547 1.00 74.53 C ATOM 631 CG2 ILE A 39 -9.038 0.125 5.844 1.00 41.34 C ATOM 632 CD1 ILE A 39 -7.216 0.611 3.456 1.00 74.01 C ATOM 0 H ILE A 39 -9.319 -3.139 4.016 1.00 34.45 H new ATOM 0 HA ILE A 39 -11.228 -1.209 5.119 1.00 23.34 H new ATOM 0 HB ILE A 39 -9.944 0.655 3.987 1.00 2.33 H new ATOM 0 HG12 ILE A 39 -7.705 -1.404 3.956 1.00 74.53 H new ATOM 0 HG13 ILE A 39 -8.538 -0.792 2.542 1.00 74.53 H new ATOM 0 HG21 ILE A 39 -8.338 0.960 5.834 1.00 41.34 H new ATOM 0 HG22 ILE A 39 -9.923 0.400 6.418 1.00 41.34 H new ATOM 0 HG23 ILE A 39 -8.562 -0.741 6.304 1.00 41.34 H new ATOM 0 HD11 ILE A 39 -6.375 0.312 2.831 1.00 74.01 H new ATOM 0 HD12 ILE A 39 -7.702 1.483 3.017 1.00 74.01 H new ATOM 0 HD13 ILE A 39 -6.856 0.860 4.454 1.00 74.01 H new ATOM 644 N ASN A 40 -12.109 -0.760 2.715 1.00 33.41 N ATOM 645 CA ASN A 40 -12.809 -0.830 1.425 1.00 5.10 C ATOM 646 C ASN A 40 -11.935 -0.287 0.276 1.00 50.42 C ATOM 647 O ASN A 40 -12.180 -0.579 -0.893 1.00 20.32 O ATOM 648 CB ASN A 40 -14.126 -0.045 1.500 1.00 54.41 C ATOM 649 CG ASN A 40 -15.048 -0.335 0.330 1.00 41.23 C ATOM 650 OD1 ASN A 40 -15.061 -1.441 -0.203 1.00 42.15 O ATOM 651 ND2 ASN A 40 -15.820 0.647 -0.088 1.00 20.43 N ATOM 0 H ASN A 40 -12.504 -0.087 3.372 1.00 33.41 H new ATOM 0 HA ASN A 40 -13.022 -1.878 1.216 1.00 5.10 H new ATOM 0 HB2 ASN A 40 -14.638 -0.291 2.430 1.00 54.41 H new ATOM 0 HB3 ASN A 40 -13.907 1.022 1.529 1.00 54.41 H new ATOM 0 HD21 ASN A 40 -16.451 0.500 -0.875 1.00 20.43 H new ATOM 0 HD22 ASN A 40 -15.786 1.555 0.376 1.00 20.43 H new ATOM 658 N CYS A 41 -10.906 0.483 0.629 1.00 74.00 N ATOM 659 CA CYS A 41 -10.006 1.109 -0.358 1.00 14.11 C ATOM 660 C CYS A 41 -9.415 0.095 -1.358 1.00 40.44 C ATOM 661 O CYS A 41 -9.328 0.369 -2.554 1.00 11.21 O ATOM 662 CB CYS A 41 -8.868 1.835 0.368 1.00 31.35 C ATOM 663 SG CYS A 41 -7.669 2.628 -0.724 1.00 50.52 S ATOM 0 H CYS A 41 -10.668 0.694 1.598 1.00 74.00 H new ATOM 0 HA CYS A 41 -10.605 1.816 -0.932 1.00 14.11 H new ATOM 0 HB2 CYS A 41 -9.297 2.591 1.025 1.00 31.35 H new ATOM 0 HB3 CYS A 41 -8.345 1.120 1.003 1.00 31.35 H new ATOM 0 HG CYS A 41 -7.764 2.118 -1.916 1.00 50.52 H new ATOM 669 N PHE A 42 -9.012 -1.078 -0.870 1.00 23.12 N ATOM 670 CA PHE A 42 -8.411 -2.109 -1.739 1.00 43.32 C ATOM 671 C PHE A 42 -9.466 -3.098 -2.266 1.00 63.03 C ATOM 672 O PHE A 42 -9.131 -4.121 -2.870 1.00 23.42 O ATOM 673 CB PHE A 42 -7.316 -2.874 -0.983 1.00 25.12 C ATOM 674 CG PHE A 42 -6.227 -1.997 -0.410 1.00 43.22 C ATOM 675 CD1 PHE A 42 -5.723 -0.922 -1.130 1.00 54.04 C ATOM 676 CD2 PHE A 42 -5.709 -2.254 0.850 1.00 14.52 C ATOM 677 CE1 PHE A 42 -4.726 -0.123 -0.603 1.00 2.25 C ATOM 678 CE2 PHE A 42 -4.710 -1.459 1.380 1.00 23.10 C ATOM 679 CZ PHE A 42 -4.219 -0.392 0.653 1.00 1.23 C ATOM 0 H PHE A 42 -9.086 -1.344 0.112 1.00 23.12 H new ATOM 0 HA PHE A 42 -7.972 -1.596 -2.595 1.00 43.32 H new ATOM 0 HB2 PHE A 42 -7.777 -3.438 -0.172 1.00 25.12 H new ATOM 0 HB3 PHE A 42 -6.864 -3.600 -1.659 1.00 25.12 H new ATOM 0 HD1 PHE A 42 -6.115 -0.708 -2.113 1.00 54.04 H new ATOM 0 HD2 PHE A 42 -6.091 -3.085 1.424 1.00 14.52 H new ATOM 0 HE1 PHE A 42 -4.344 0.711 -1.173 1.00 2.25 H new ATOM 0 HE2 PHE A 42 -4.314 -1.672 2.362 1.00 23.10 H new ATOM 0 HZ PHE A 42 -3.440 0.231 1.066 1.00 1.23 H new ATOM 689 N LYS A 43 -10.740 -2.781 -2.047 1.00 63.24 N ATOM 690 CA LYS A 43 -11.847 -3.661 -2.450 1.00 24.12 C ATOM 691 C LYS A 43 -12.731 -2.991 -3.517 1.00 51.53 C ATOM 692 O LYS A 43 -12.919 -3.520 -4.617 1.00 1.44 O ATOM 693 CB LYS A 43 -12.706 -4.020 -1.225 1.00 74.32 C ATOM 694 CG LYS A 43 -11.919 -4.598 -0.044 1.00 33.24 C ATOM 695 CD LYS A 43 -12.827 -4.870 1.161 1.00 24.54 C ATOM 696 CE LYS A 43 -12.042 -5.295 2.403 1.00 22.03 C ATOM 697 NZ LYS A 43 -11.289 -6.563 2.196 1.00 32.11 N ATOM 0 H LYS A 43 -11.038 -1.918 -1.591 1.00 63.24 H new ATOM 0 HA LYS A 43 -11.417 -4.567 -2.877 1.00 24.12 H new ATOM 0 HB2 LYS A 43 -13.232 -3.126 -0.892 1.00 74.32 H new ATOM 0 HB3 LYS A 43 -13.464 -4.742 -1.528 1.00 74.32 H new ATOM 0 HG2 LYS A 43 -11.432 -5.524 -0.349 1.00 33.24 H new ATOM 0 HG3 LYS A 43 -11.130 -3.903 0.244 1.00 33.24 H new ATOM 0 HD2 LYS A 43 -13.402 -3.972 1.388 1.00 24.54 H new ATOM 0 HD3 LYS A 43 -13.543 -5.650 0.903 1.00 24.54 H new ATOM 0 HE2 LYS A 43 -11.345 -4.503 2.677 1.00 22.03 H new ATOM 0 HE3 LYS A 43 -12.730 -5.417 3.239 1.00 22.03 H new ATOM 0 HZ1 LYS A 43 -11.016 -6.959 3.118 1.00 32.11 H new ATOM 0 HZ2 LYS A 43 -11.890 -7.245 1.691 1.00 32.11 H new ATOM 0 HZ3 LYS A 43 -10.435 -6.372 1.635 1.00 32.11 H new ATOM 711 N LYS A 44 -13.271 -1.822 -3.175 1.00 25.32 N ATOM 712 CA LYS A 44 -14.191 -1.085 -4.047 1.00 53.41 C ATOM 713 C LYS A 44 -13.417 -0.092 -4.937 1.00 61.15 C ATOM 714 O LYS A 44 -12.851 0.884 -4.445 1.00 42.15 O ATOM 715 CB LYS A 44 -15.229 -0.356 -3.170 1.00 11.55 C ATOM 716 CG LYS A 44 -16.501 0.103 -3.885 1.00 75.34 C ATOM 717 CD LYS A 44 -16.314 1.404 -4.655 1.00 62.43 C ATOM 718 CE LYS A 44 -17.631 1.888 -5.252 1.00 21.11 C ATOM 719 NZ LYS A 44 -17.472 3.179 -5.965 1.00 13.14 N ATOM 0 H LYS A 44 -13.085 -1.357 -2.286 1.00 25.32 H new ATOM 0 HA LYS A 44 -14.707 -1.780 -4.710 1.00 53.41 H new ATOM 0 HB2 LYS A 44 -15.514 -1.017 -2.352 1.00 11.55 H new ATOM 0 HB3 LYS A 44 -14.751 0.516 -2.724 1.00 11.55 H new ATOM 0 HG2 LYS A 44 -16.826 -0.677 -4.574 1.00 75.34 H new ATOM 0 HG3 LYS A 44 -17.297 0.232 -3.152 1.00 75.34 H new ATOM 0 HD2 LYS A 44 -15.911 2.168 -3.990 1.00 62.43 H new ATOM 0 HD3 LYS A 44 -15.584 1.257 -5.451 1.00 62.43 H new ATOM 0 HE2 LYS A 44 -18.015 1.137 -5.942 1.00 21.11 H new ATOM 0 HE3 LYS A 44 -18.370 2.000 -4.459 1.00 21.11 H new ATOM 0 HZ1 LYS A 44 -18.334 3.383 -6.511 1.00 13.14 H new ATOM 0 HZ2 LYS A 44 -17.312 3.940 -5.274 1.00 13.14 H new ATOM 0 HZ3 LYS A 44 -16.659 3.121 -6.611 1.00 13.14 H new ATOM 733 N ASP A 45 -13.408 -0.360 -6.246 1.00 0.53 N ATOM 734 CA ASP A 45 -12.660 0.447 -7.226 1.00 72.24 C ATOM 735 C ASP A 45 -11.141 0.431 -6.954 1.00 22.44 C ATOM 736 O ASP A 45 -10.566 1.415 -6.478 1.00 34.42 O ATOM 737 CB ASP A 45 -13.187 1.894 -7.286 1.00 23.01 C ATOM 738 CG ASP A 45 -14.631 1.980 -7.753 1.00 23.30 C ATOM 739 OD1 ASP A 45 -15.142 0.993 -8.330 1.00 4.40 O ATOM 740 OD2 ASP A 45 -15.267 3.037 -7.542 1.00 23.44 O ATOM 0 H ASP A 45 -13.917 -1.141 -6.660 1.00 0.53 H new ATOM 0 HA ASP A 45 -12.823 -0.015 -8.200 1.00 72.24 H new ATOM 0 HB2 ASP A 45 -13.103 2.347 -6.298 1.00 23.01 H new ATOM 0 HB3 ASP A 45 -12.558 2.477 -7.959 1.00 23.01 H new ATOM 745 N PRO A 46 -10.468 -0.704 -7.247 1.00 61.23 N ATOM 746 CA PRO A 46 -9.013 -0.835 -7.070 1.00 32.14 C ATOM 747 C PRO A 46 -8.221 0.076 -8.028 1.00 70.44 C ATOM 748 O PRO A 46 -8.055 -0.235 -9.211 1.00 24.32 O ATOM 749 CB PRO A 46 -8.736 -2.326 -7.371 1.00 61.12 C ATOM 750 CG PRO A 46 -10.075 -2.991 -7.329 1.00 23.13 C ATOM 751 CD PRO A 46 -11.065 -1.947 -7.762 1.00 1.53 C ATOM 0 HA PRO A 46 -8.698 -0.532 -6.072 1.00 32.14 H new ATOM 0 HB2 PRO A 46 -8.266 -2.450 -8.346 1.00 61.12 H new ATOM 0 HB3 PRO A 46 -8.059 -2.757 -6.634 1.00 61.12 H new ATOM 0 HG2 PRO A 46 -10.103 -3.855 -7.992 1.00 23.13 H new ATOM 0 HG3 PRO A 46 -10.301 -3.352 -6.326 1.00 23.13 H new ATOM 0 HD2 PRO A 46 -11.180 -1.923 -8.846 1.00 1.53 H new ATOM 0 HD3 PRO A 46 -12.054 -2.127 -7.340 1.00 1.53 H new ATOM 759 N SER A 47 -7.761 1.220 -7.522 1.00 2.02 N ATOM 760 CA SER A 47 -6.974 2.173 -8.323 1.00 33.33 C ATOM 761 C SER A 47 -5.937 2.895 -7.460 1.00 12.13 C ATOM 762 O SER A 47 -6.224 3.262 -6.322 1.00 71.32 O ATOM 763 CB SER A 47 -7.891 3.215 -8.988 1.00 1.02 C ATOM 764 OG SER A 47 -8.823 2.610 -9.874 1.00 2.32 O ATOM 0 H SER A 47 -7.918 1.515 -6.558 1.00 2.02 H new ATOM 0 HA SER A 47 -6.458 1.601 -9.094 1.00 33.33 H new ATOM 0 HB2 SER A 47 -8.428 3.770 -8.219 1.00 1.02 H new ATOM 0 HB3 SER A 47 -7.284 3.936 -9.536 1.00 1.02 H new ATOM 0 HG SER A 47 -9.389 3.302 -10.276 1.00 2.32 H new ATOM 770 N ILE A 48 -4.741 3.110 -8.010 1.00 42.40 N ATOM 771 CA ILE A 48 -3.660 3.785 -7.280 1.00 65.15 C ATOM 772 C ILE A 48 -4.078 5.198 -6.837 1.00 63.24 C ATOM 773 O ILE A 48 -4.071 5.516 -5.647 1.00 23.13 O ATOM 774 CB ILE A 48 -2.372 3.880 -8.147 1.00 63.22 C ATOM 775 CG1 ILE A 48 -1.865 2.475 -8.530 1.00 52.33 C ATOM 776 CG2 ILE A 48 -1.280 4.665 -7.416 1.00 45.35 C ATOM 777 CD1 ILE A 48 -1.443 1.631 -7.348 1.00 14.23 C ATOM 0 H ILE A 48 -4.494 2.828 -8.958 1.00 42.40 H new ATOM 0 HA ILE A 48 -3.452 3.184 -6.394 1.00 65.15 H new ATOM 0 HB ILE A 48 -2.621 4.415 -9.063 1.00 63.22 H new ATOM 0 HG12 ILE A 48 -2.651 1.952 -9.075 1.00 52.33 H new ATOM 0 HG13 ILE A 48 -1.020 2.578 -9.210 1.00 52.33 H new ATOM 0 HG21 ILE A 48 -0.389 4.718 -8.042 1.00 45.35 H new ATOM 0 HG22 ILE A 48 -1.636 5.673 -7.205 1.00 45.35 H new ATOM 0 HG23 ILE A 48 -1.036 4.163 -6.480 1.00 45.35 H new ATOM 0 HD11 ILE A 48 -1.099 0.658 -7.700 1.00 14.23 H new ATOM 0 HD12 ILE A 48 -0.634 2.131 -6.814 1.00 14.23 H new ATOM 0 HD13 ILE A 48 -2.291 1.495 -6.677 1.00 14.23 H new ATOM 789 N LYS A 49 -4.464 6.029 -7.802 1.00 65.12 N ATOM 790 CA LYS A 49 -4.831 7.428 -7.537 1.00 11.32 C ATOM 791 C LYS A 49 -6.006 7.540 -6.540 1.00 44.33 C ATOM 792 O LYS A 49 -5.986 8.374 -5.627 1.00 4.22 O ATOM 793 CB LYS A 49 -5.186 8.119 -8.860 1.00 75.53 C ATOM 794 CG LYS A 49 -5.465 9.615 -8.736 1.00 44.45 C ATOM 795 CD LYS A 49 -5.726 10.248 -10.100 1.00 62.31 C ATOM 796 CE LYS A 49 -5.972 11.750 -9.997 1.00 11.32 C ATOM 797 NZ LYS A 49 -6.160 12.369 -11.334 1.00 22.31 N ATOM 0 H LYS A 49 -4.533 5.760 -8.784 1.00 65.12 H new ATOM 0 HA LYS A 49 -3.975 7.922 -7.079 1.00 11.32 H new ATOM 0 HB2 LYS A 49 -4.367 7.972 -9.564 1.00 75.53 H new ATOM 0 HB3 LYS A 49 -6.063 7.632 -9.286 1.00 75.53 H new ATOM 0 HG2 LYS A 49 -6.328 9.773 -8.089 1.00 44.45 H new ATOM 0 HG3 LYS A 49 -4.616 10.107 -8.261 1.00 44.45 H new ATOM 0 HD2 LYS A 49 -4.873 10.065 -10.754 1.00 62.31 H new ATOM 0 HD3 LYS A 49 -6.590 9.770 -10.562 1.00 62.31 H new ATOM 0 HE2 LYS A 49 -6.855 11.933 -9.384 1.00 11.32 H new ATOM 0 HE3 LYS A 49 -5.130 12.223 -9.492 1.00 11.32 H new ATOM 0 HZ1 LYS A 49 -6.325 13.390 -11.224 1.00 22.31 H new ATOM 0 HZ2 LYS A 49 -5.308 12.216 -11.910 1.00 22.31 H new ATOM 0 HZ3 LYS A 49 -6.979 11.935 -11.805 1.00 22.31 H new ATOM 811 N SER A 50 -7.026 6.699 -6.720 1.00 11.41 N ATOM 812 CA SER A 50 -8.188 6.683 -5.818 1.00 4.14 C ATOM 813 C SER A 50 -7.795 6.213 -4.408 1.00 33.33 C ATOM 814 O SER A 50 -8.200 6.808 -3.405 1.00 40.31 O ATOM 815 CB SER A 50 -9.294 5.778 -6.372 1.00 31.00 C ATOM 816 OG SER A 50 -10.437 5.793 -5.532 1.00 10.43 O ATOM 0 H SER A 50 -7.075 6.020 -7.479 1.00 11.41 H new ATOM 0 HA SER A 50 -8.562 7.705 -5.752 1.00 4.14 H new ATOM 0 HB2 SER A 50 -9.571 6.108 -7.373 1.00 31.00 H new ATOM 0 HB3 SER A 50 -8.921 4.758 -6.465 1.00 31.00 H new ATOM 0 HG SER A 50 -11.128 5.209 -5.909 1.00 10.43 H new ATOM 822 N SER A 51 -6.996 5.147 -4.343 1.00 54.20 N ATOM 823 CA SER A 51 -6.514 4.610 -3.064 1.00 0.53 C ATOM 824 C SER A 51 -5.736 5.671 -2.280 1.00 53.24 C ATOM 825 O SER A 51 -6.000 5.900 -1.096 1.00 43.43 O ATOM 826 CB SER A 51 -5.627 3.379 -3.297 1.00 53.24 C ATOM 827 OG SER A 51 -5.155 2.841 -2.071 1.00 31.53 O ATOM 0 H SER A 51 -6.667 4.635 -5.162 1.00 54.20 H new ATOM 0 HA SER A 51 -7.384 4.315 -2.477 1.00 0.53 H new ATOM 0 HB2 SER A 51 -6.192 2.619 -3.836 1.00 53.24 H new ATOM 0 HB3 SER A 51 -4.780 3.653 -3.926 1.00 53.24 H new ATOM 0 HG SER A 51 -5.891 2.804 -1.425 1.00 31.53 H new ATOM 833 N LEU A 52 -4.790 6.334 -2.955 1.00 25.14 N ATOM 834 CA LEU A 52 -3.996 7.405 -2.337 1.00 4.02 C ATOM 835 C LEU A 52 -4.896 8.472 -1.690 1.00 42.54 C ATOM 836 O LEU A 52 -4.644 8.913 -0.567 1.00 10.41 O ATOM 837 CB LEU A 52 -3.080 8.065 -3.380 1.00 2.11 C ATOM 838 CG LEU A 52 -2.013 7.150 -4.008 1.00 22.24 C ATOM 839 CD1 LEU A 52 -1.193 7.911 -5.048 1.00 64.00 C ATOM 840 CD2 LEU A 52 -1.107 6.555 -2.931 1.00 21.10 C ATOM 0 H LEU A 52 -4.555 6.148 -3.930 1.00 25.14 H new ATOM 0 HA LEU A 52 -3.386 6.951 -1.556 1.00 4.02 H new ATOM 0 HB2 LEU A 52 -3.702 8.468 -4.179 1.00 2.11 H new ATOM 0 HB3 LEU A 52 -2.576 8.910 -2.911 1.00 2.11 H new ATOM 0 HG LEU A 52 -2.523 6.329 -4.512 1.00 22.24 H new ATOM 0 HD11 LEU A 52 -0.445 7.246 -5.479 1.00 64.00 H new ATOM 0 HD12 LEU A 52 -1.852 8.275 -5.836 1.00 64.00 H new ATOM 0 HD13 LEU A 52 -0.696 8.756 -4.572 1.00 64.00 H new ATOM 0 HD21 LEU A 52 -0.361 5.912 -3.398 1.00 21.10 H new ATOM 0 HD22 LEU A 52 -0.607 7.359 -2.391 1.00 21.10 H new ATOM 0 HD23 LEU A 52 -1.706 5.969 -2.234 1.00 21.10 H new ATOM 852 N LYS A 53 -5.946 8.880 -2.407 1.00 34.21 N ATOM 853 CA LYS A 53 -6.908 9.864 -1.887 1.00 3.43 C ATOM 854 C LYS A 53 -7.468 9.439 -0.517 1.00 13.24 C ATOM 855 O LYS A 53 -7.535 10.241 0.416 1.00 71.41 O ATOM 856 CB LYS A 53 -8.051 10.059 -2.895 1.00 60.31 C ATOM 857 CG LYS A 53 -9.121 11.054 -2.447 1.00 64.54 C ATOM 858 CD LYS A 53 -10.191 11.255 -3.521 1.00 40.32 C ATOM 859 CE LYS A 53 -11.285 12.214 -3.064 1.00 42.43 C ATOM 860 NZ LYS A 53 -12.284 12.464 -4.138 1.00 44.42 N ATOM 0 H LYS A 53 -6.154 8.547 -3.348 1.00 34.21 H new ATOM 0 HA LYS A 53 -6.384 10.809 -1.748 1.00 3.43 H new ATOM 0 HB2 LYS A 53 -7.631 10.397 -3.842 1.00 60.31 H new ATOM 0 HB3 LYS A 53 -8.524 9.095 -3.082 1.00 60.31 H new ATOM 0 HG2 LYS A 53 -9.589 10.697 -1.530 1.00 64.54 H new ATOM 0 HG3 LYS A 53 -8.654 12.011 -2.215 1.00 64.54 H new ATOM 0 HD2 LYS A 53 -9.726 11.641 -4.428 1.00 40.32 H new ATOM 0 HD3 LYS A 53 -10.635 10.293 -3.775 1.00 40.32 H new ATOM 0 HE2 LYS A 53 -11.787 11.802 -2.189 1.00 42.43 H new ATOM 0 HE3 LYS A 53 -10.836 13.159 -2.758 1.00 42.43 H new ATOM 0 HZ1 LYS A 53 -13.011 13.120 -3.789 1.00 44.42 H new ATOM 0 HZ2 LYS A 53 -11.809 12.881 -4.964 1.00 44.42 H new ATOM 0 HZ3 LYS A 53 -12.731 11.566 -4.412 1.00 44.42 H new ATOM 874 N PHE A 54 -7.847 8.167 -0.400 1.00 2.33 N ATOM 875 CA PHE A 54 -8.363 7.631 0.865 1.00 45.02 C ATOM 876 C PHE A 54 -7.256 7.532 1.929 1.00 61.14 C ATOM 877 O PHE A 54 -7.495 7.779 3.113 1.00 55.44 O ATOM 878 CB PHE A 54 -8.999 6.252 0.640 1.00 44.33 C ATOM 879 CG PHE A 54 -9.585 5.636 1.893 1.00 14.40 C ATOM 880 CD1 PHE A 54 -10.782 6.101 2.416 1.00 73.53 C ATOM 881 CD2 PHE A 54 -8.935 4.593 2.546 1.00 33.52 C ATOM 882 CE1 PHE A 54 -11.322 5.541 3.560 1.00 21.02 C ATOM 883 CE2 PHE A 54 -9.472 4.030 3.689 1.00 73.01 C ATOM 884 CZ PHE A 54 -10.668 4.505 4.196 1.00 71.23 C ATOM 0 H PHE A 54 -7.808 7.489 -1.161 1.00 2.33 H new ATOM 0 HA PHE A 54 -9.122 8.322 1.232 1.00 45.02 H new ATOM 0 HB2 PHE A 54 -9.785 6.343 -0.110 1.00 44.33 H new ATOM 0 HB3 PHE A 54 -8.246 5.577 0.233 1.00 44.33 H new ATOM 0 HD1 PHE A 54 -11.300 6.911 1.924 1.00 73.53 H new ATOM 0 HD2 PHE A 54 -8.000 4.219 2.155 1.00 33.52 H new ATOM 0 HE1 PHE A 54 -12.255 5.914 3.955 1.00 21.02 H new ATOM 0 HE2 PHE A 54 -8.958 3.220 4.185 1.00 73.01 H new ATOM 0 HZ PHE A 54 -11.090 4.066 5.088 1.00 71.23 H new ATOM 894 N LEU A 55 -6.045 7.170 1.502 1.00 71.20 N ATOM 895 CA LEU A 55 -4.897 7.065 2.416 1.00 33.14 C ATOM 896 C LEU A 55 -4.497 8.442 2.977 1.00 14.40 C ATOM 897 O LEU A 55 -3.996 8.549 4.097 1.00 32.52 O ATOM 898 CB LEU A 55 -3.696 6.421 1.701 1.00 30.04 C ATOM 899 CG LEU A 55 -3.934 5.005 1.146 1.00 21.51 C ATOM 900 CD1 LEU A 55 -2.686 4.483 0.440 1.00 64.52 C ATOM 901 CD2 LEU A 55 -4.370 4.049 2.254 1.00 55.42 C ATOM 0 H LEU A 55 -5.830 6.944 0.531 1.00 71.20 H new ATOM 0 HA LEU A 55 -5.198 6.432 3.251 1.00 33.14 H new ATOM 0 HB2 LEU A 55 -3.396 7.069 0.877 1.00 30.04 H new ATOM 0 HB3 LEU A 55 -2.859 6.383 2.398 1.00 30.04 H new ATOM 0 HG LEU A 55 -4.740 5.062 0.414 1.00 21.51 H new ATOM 0 HD11 LEU A 55 -2.877 3.481 0.056 1.00 64.52 H new ATOM 0 HD12 LEU A 55 -2.432 5.146 -0.387 1.00 64.52 H new ATOM 0 HD13 LEU A 55 -1.856 4.449 1.146 1.00 64.52 H new ATOM 0 HD21 LEU A 55 -4.531 3.056 1.835 1.00 55.42 H new ATOM 0 HD22 LEU A 55 -3.594 3.999 3.018 1.00 55.42 H new ATOM 0 HD23 LEU A 55 -5.296 4.409 2.701 1.00 55.42 H new ATOM 913 N ARG A 56 -4.728 9.492 2.192 1.00 73.04 N ATOM 914 CA ARG A 56 -4.405 10.866 2.606 1.00 40.42 C ATOM 915 C ARG A 56 -5.266 11.329 3.793 1.00 21.52 C ATOM 916 O ARG A 56 -4.812 12.108 4.634 1.00 45.45 O ATOM 917 CB ARG A 56 -4.571 11.825 1.417 1.00 3.34 C ATOM 918 CG ARG A 56 -3.496 11.654 0.345 1.00 43.43 C ATOM 919 CD ARG A 56 -3.848 12.370 -0.953 1.00 23.22 C ATOM 920 NE ARG A 56 -4.048 13.808 -0.776 1.00 65.14 N ATOM 921 CZ ARG A 56 -4.286 14.635 -1.759 1.00 73.32 C ATOM 922 NH1 ARG A 56 -4.276 14.221 -2.988 1.00 60.11 N ATOM 923 NH2 ARG A 56 -4.497 15.885 -1.512 1.00 12.04 N ATOM 0 H ARG A 56 -5.139 9.422 1.261 1.00 73.04 H new ATOM 0 HA ARG A 56 -3.367 10.876 2.938 1.00 40.42 H new ATOM 0 HB2 ARG A 56 -5.551 11.667 0.967 1.00 3.34 H new ATOM 0 HB3 ARG A 56 -4.549 12.852 1.782 1.00 3.34 H new ATOM 0 HG2 ARG A 56 -2.548 12.037 0.722 1.00 43.43 H new ATOM 0 HG3 ARG A 56 -3.354 10.592 0.144 1.00 43.43 H new ATOM 0 HD2 ARG A 56 -3.052 12.206 -1.679 1.00 23.22 H new ATOM 0 HD3 ARG A 56 -4.755 11.931 -1.369 1.00 23.22 H new ATOM 0 HE ARG A 56 -3.999 14.187 0.170 1.00 65.14 H new ATOM 0 HH11 ARG A 56 -4.081 13.241 -3.195 1.00 60.11 H new ATOM 0 HH12 ARG A 56 -4.463 14.875 -3.748 1.00 60.11 H new ATOM 0 HH21 ARG A 56 -4.478 16.225 -0.551 1.00 12.04 H new ATOM 0 HH22 ARG A 56 -4.683 16.532 -2.278 1.00 12.04 H new ATOM 937 N LYS A 57 -6.511 10.862 3.855 1.00 74.13 N ATOM 938 CA LYS A 57 -7.392 11.174 4.990 1.00 11.43 C ATOM 939 C LYS A 57 -7.326 10.084 6.074 1.00 55.23 C ATOM 940 O LYS A 57 -7.605 10.338 7.247 1.00 23.14 O ATOM 941 CB LYS A 57 -8.840 11.356 4.512 1.00 55.05 C ATOM 942 CG LYS A 57 -9.432 10.123 3.826 1.00 41.21 C ATOM 943 CD LYS A 57 -10.914 10.308 3.508 1.00 42.42 C ATOM 944 CE LYS A 57 -11.742 10.485 4.776 1.00 74.34 C ATOM 945 NZ LYS A 57 -13.172 10.748 4.476 1.00 64.23 N ATOM 0 H LYS A 57 -6.935 10.270 3.141 1.00 74.13 H new ATOM 0 HA LYS A 57 -7.042 12.107 5.431 1.00 11.43 H new ATOM 0 HB2 LYS A 57 -9.463 11.617 5.367 1.00 55.05 H new ATOM 0 HB3 LYS A 57 -8.880 12.197 3.820 1.00 55.05 H new ATOM 0 HG2 LYS A 57 -8.885 9.922 2.905 1.00 41.21 H new ATOM 0 HG3 LYS A 57 -9.304 9.253 4.469 1.00 41.21 H new ATOM 0 HD2 LYS A 57 -11.043 11.178 2.864 1.00 42.42 H new ATOM 0 HD3 LYS A 57 -11.278 9.444 2.953 1.00 42.42 H new ATOM 0 HE2 LYS A 57 -11.660 9.588 5.390 1.00 74.34 H new ATOM 0 HE3 LYS A 57 -11.337 11.311 5.361 1.00 74.34 H new ATOM 0 HZ1 LYS A 57 -13.698 10.862 5.366 1.00 64.23 H new ATOM 0 HZ2 LYS A 57 -13.254 11.618 3.911 1.00 64.23 H new ATOM 0 HZ3 LYS A 57 -13.567 9.949 3.940 1.00 64.23 H new ATOM 959 N THR A 58 -6.959 8.869 5.677 1.00 10.01 N ATOM 960 CA THR A 58 -6.860 7.741 6.611 1.00 32.22 C ATOM 961 C THR A 58 -5.394 7.388 6.883 1.00 42.44 C ATOM 962 O THR A 58 -4.796 6.574 6.175 1.00 20.11 O ATOM 963 CB THR A 58 -7.599 6.493 6.065 1.00 70.42 C ATOM 964 OG1 THR A 58 -8.908 6.862 5.600 1.00 54.31 O ATOM 965 CG2 THR A 58 -7.735 5.419 7.135 1.00 13.14 C ATOM 0 H THR A 58 -6.724 8.635 4.712 1.00 10.01 H new ATOM 0 HA THR A 58 -7.334 8.048 7.543 1.00 32.22 H new ATOM 0 HB THR A 58 -7.010 6.091 5.241 1.00 70.42 H new ATOM 0 HG1 THR A 58 -9.319 6.100 5.140 1.00 54.31 H new ATOM 0 HG21 THR A 58 -8.258 4.557 6.721 1.00 13.14 H new ATOM 0 HG22 THR A 58 -6.744 5.115 7.473 1.00 13.14 H new ATOM 0 HG23 THR A 58 -8.301 5.815 7.978 1.00 13.14 H new ATOM 973 N ASP A 59 -4.817 8.016 7.907 1.00 75.05 N ATOM 974 CA ASP A 59 -3.382 7.887 8.202 1.00 73.51 C ATOM 975 C ASP A 59 -2.972 6.441 8.524 1.00 64.52 C ATOM 976 O ASP A 59 -2.063 5.892 7.898 1.00 25.33 O ATOM 977 CB ASP A 59 -3.002 8.810 9.366 1.00 30.53 C ATOM 978 CG ASP A 59 -3.327 10.261 9.068 1.00 34.43 C ATOM 979 OD1 ASP A 59 -2.577 10.898 8.298 1.00 55.34 O ATOM 980 OD2 ASP A 59 -4.338 10.771 9.597 1.00 2.51 O ATOM 0 H ASP A 59 -5.321 8.624 8.552 1.00 75.05 H new ATOM 0 HA ASP A 59 -2.842 8.181 7.302 1.00 73.51 H new ATOM 0 HB2 ASP A 59 -3.532 8.497 10.265 1.00 30.53 H new ATOM 0 HB3 ASP A 59 -1.936 8.712 9.574 1.00 30.53 H new ATOM 985 N TRP A 60 -3.647 5.826 9.499 1.00 71.31 N ATOM 986 CA TRP A 60 -3.313 4.459 9.925 1.00 72.50 C ATOM 987 C TRP A 60 -3.297 3.481 8.738 1.00 73.54 C ATOM 988 O TRP A 60 -2.499 2.542 8.705 1.00 35.44 O ATOM 989 CB TRP A 60 -4.284 3.967 11.013 1.00 12.33 C ATOM 990 CG TRP A 60 -5.667 3.649 10.523 1.00 45.25 C ATOM 991 CD1 TRP A 60 -6.727 4.506 10.424 1.00 41.12 C ATOM 992 CD2 TRP A 60 -6.141 2.374 10.076 1.00 33.13 C ATOM 993 NE1 TRP A 60 -7.826 3.840 9.944 1.00 60.11 N ATOM 994 CE2 TRP A 60 -7.490 2.532 9.718 1.00 20.25 C ATOM 995 CE3 TRP A 60 -5.551 1.112 9.938 1.00 72.12 C ATOM 996 CZ2 TRP A 60 -8.260 1.481 9.234 1.00 51.30 C ATOM 997 CZ3 TRP A 60 -6.317 0.067 9.460 1.00 5.30 C ATOM 998 CH2 TRP A 60 -7.658 0.258 9.111 1.00 72.11 C ATOM 0 H TRP A 60 -4.424 6.248 10.007 1.00 71.31 H new ATOM 0 HA TRP A 60 -2.308 4.490 10.345 1.00 72.50 H new ATOM 0 HB2 TRP A 60 -3.864 3.075 11.479 1.00 12.33 H new ATOM 0 HB3 TRP A 60 -4.355 4.729 11.789 1.00 12.33 H new ATOM 0 HD1 TRP A 60 -6.703 5.554 10.685 1.00 41.12 H new ATOM 0 HE1 TRP A 60 -8.745 4.252 9.782 1.00 60.11 H new ATOM 0 HE3 TRP A 60 -4.515 0.958 10.201 1.00 72.12 H new ATOM 0 HZ2 TRP A 60 -9.296 1.624 8.965 1.00 51.30 H new ATOM 0 HZ3 TRP A 60 -5.874 -0.912 9.354 1.00 5.30 H new ATOM 0 HH2 TRP A 60 -8.231 -0.578 8.736 1.00 72.11 H new ATOM 1009 N ALA A 61 -4.172 3.716 7.756 1.00 51.23 N ATOM 1010 CA ALA A 61 -4.224 2.883 6.554 1.00 50.33 C ATOM 1011 C ALA A 61 -2.882 2.902 5.809 1.00 3.12 C ATOM 1012 O ALA A 61 -2.349 1.852 5.446 1.00 31.14 O ATOM 1013 CB ALA A 61 -5.352 3.342 5.636 1.00 23.23 C ATOM 0 H ALA A 61 -4.853 4.476 7.771 1.00 51.23 H new ATOM 0 HA ALA A 61 -4.422 1.857 6.863 1.00 50.33 H new ATOM 0 HB1 ALA A 61 -5.377 2.712 4.747 1.00 23.23 H new ATOM 0 HB2 ALA A 61 -6.304 3.265 6.162 1.00 23.23 H new ATOM 0 HB3 ALA A 61 -5.183 4.378 5.342 1.00 23.23 H new ATOM 1019 N ARG A 62 -2.326 4.100 5.598 1.00 11.12 N ATOM 1020 CA ARG A 62 -1.009 4.225 4.961 1.00 31.33 C ATOM 1021 C ARG A 62 0.064 3.510 5.788 1.00 61.24 C ATOM 1022 O ARG A 62 0.867 2.753 5.255 1.00 73.13 O ATOM 1023 CB ARG A 62 -0.584 5.691 4.780 1.00 31.24 C ATOM 1024 CG ARG A 62 0.817 5.807 4.175 1.00 62.44 C ATOM 1025 CD ARG A 62 1.424 7.196 4.310 1.00 51.12 C ATOM 1026 NE ARG A 62 2.836 7.187 3.922 1.00 74.41 N ATOM 1027 CZ ARG A 62 3.762 7.916 4.482 1.00 11.45 C ATOM 1028 NH1 ARG A 62 3.472 8.747 5.430 1.00 43.42 N ATOM 1029 NH2 ARG A 62 4.994 7.799 4.104 1.00 54.33 N ATOM 0 H ARG A 62 -2.760 4.987 5.855 1.00 11.12 H new ATOM 0 HA ARG A 62 -1.101 3.763 3.978 1.00 31.33 H new ATOM 0 HB2 ARG A 62 -1.301 6.200 4.136 1.00 31.24 H new ATOM 0 HB3 ARG A 62 -0.606 6.197 5.745 1.00 31.24 H new ATOM 0 HG2 ARG A 62 1.474 5.084 4.658 1.00 62.44 H new ATOM 0 HG3 ARG A 62 0.771 5.540 3.119 1.00 62.44 H new ATOM 0 HD2 ARG A 62 0.875 7.900 3.685 1.00 51.12 H new ATOM 0 HD3 ARG A 62 1.327 7.541 5.339 1.00 51.12 H new ATOM 0 HE ARG A 62 3.115 6.568 3.161 1.00 74.41 H new ATOM 0 HH11 ARG A 62 2.508 8.839 5.750 1.00 43.42 H new ATOM 0 HH12 ARG A 62 4.207 9.310 5.858 1.00 43.42 H new ATOM 0 HH21 ARG A 62 5.241 7.137 3.368 1.00 54.33 H new ATOM 0 HH22 ARG A 62 5.718 8.369 4.542 1.00 54.33 H new ATOM 1043 N GLU A 63 0.068 3.761 7.097 1.00 54.02 N ATOM 1044 CA GLU A 63 1.057 3.160 8.004 1.00 1.14 C ATOM 1045 C GLU A 63 1.083 1.625 7.876 1.00 64.41 C ATOM 1046 O GLU A 63 2.109 0.987 8.110 1.00 12.32 O ATOM 1047 CB GLU A 63 0.760 3.570 9.453 1.00 34.41 C ATOM 1048 CG GLU A 63 0.705 5.085 9.667 1.00 3.14 C ATOM 1049 CD GLU A 63 2.018 5.786 9.337 1.00 12.44 C ATOM 1050 OE1 GLU A 63 2.927 5.781 10.191 1.00 23.35 O ATOM 1051 OE2 GLU A 63 2.142 6.361 8.231 1.00 12.13 O ATOM 0 H GLU A 63 -0.602 4.377 7.558 1.00 54.02 H new ATOM 0 HA GLU A 63 2.042 3.532 7.721 1.00 1.14 H new ATOM 0 HB2 GLU A 63 -0.192 3.135 9.756 1.00 34.41 H new ATOM 0 HB3 GLU A 63 1.525 3.148 10.104 1.00 34.41 H new ATOM 0 HG2 GLU A 63 -0.089 5.504 9.049 1.00 3.14 H new ATOM 0 HG3 GLU A 63 0.442 5.290 10.705 1.00 3.14 H new ATOM 1058 N ARG A 64 -0.054 1.036 7.511 1.00 32.40 N ATOM 1059 CA ARG A 64 -0.115 -0.401 7.221 1.00 64.13 C ATOM 1060 C ARG A 64 0.532 -0.711 5.858 1.00 51.42 C ATOM 1061 O ARG A 64 1.288 -1.672 5.724 1.00 2.51 O ATOM 1062 CB ARG A 64 -1.568 -0.899 7.241 1.00 11.51 C ATOM 1063 CG ARG A 64 -2.325 -0.617 8.541 1.00 51.34 C ATOM 1064 CD ARG A 64 -1.662 -1.251 9.765 1.00 2.52 C ATOM 1065 NE ARG A 64 -0.462 -0.524 10.201 1.00 73.32 N ATOM 1066 CZ ARG A 64 0.004 -0.542 11.421 1.00 43.21 C ATOM 1067 NH1 ARG A 64 -0.592 -1.228 12.346 1.00 62.41 N ATOM 1068 NH2 ARG A 64 1.070 0.129 11.726 1.00 4.42 N ATOM 0 H ARG A 64 -0.943 1.526 7.408 1.00 32.40 H new ATOM 0 HA ARG A 64 0.443 -0.924 7.998 1.00 64.13 H new ATOM 0 HB2 ARG A 64 -2.108 -0.436 6.415 1.00 11.51 H new ATOM 0 HB3 ARG A 64 -1.571 -1.974 7.061 1.00 11.51 H new ATOM 0 HG2 ARG A 64 -2.394 0.461 8.689 1.00 51.34 H new ATOM 0 HG3 ARG A 64 -3.344 -0.992 8.451 1.00 51.34 H new ATOM 0 HD2 ARG A 64 -2.379 -1.284 10.585 1.00 2.52 H new ATOM 0 HD3 ARG A 64 -1.393 -2.282 9.534 1.00 2.52 H new ATOM 0 HE ARG A 64 0.039 0.030 9.507 1.00 73.32 H new ATOM 0 HH11 ARG A 64 -1.433 -1.760 12.124 1.00 62.41 H new ATOM 0 HH12 ARG A 64 -0.220 -1.235 13.296 1.00 62.41 H new ATOM 0 HH21 ARG A 64 1.550 0.676 11.011 1.00 4.42 H new ATOM 0 HH22 ARG A 64 1.428 0.111 12.681 1.00 4.42 H new ATOM 1082 N VAL A 65 0.231 0.122 4.860 1.00 61.51 N ATOM 1083 CA VAL A 65 0.827 -0.003 3.521 1.00 50.54 C ATOM 1084 C VAL A 65 2.366 0.084 3.592 1.00 42.12 C ATOM 1085 O VAL A 65 3.077 -0.773 3.056 1.00 60.23 O ATOM 1086 CB VAL A 65 0.284 1.101 2.571 1.00 12.50 C ATOM 1087 CG1 VAL A 65 0.885 0.972 1.174 1.00 35.34 C ATOM 1088 CG2 VAL A 65 -1.243 1.055 2.508 1.00 11.20 C ATOM 0 H VAL A 65 -0.426 0.897 4.951 1.00 61.51 H new ATOM 0 HA VAL A 65 0.548 -0.980 3.125 1.00 50.54 H new ATOM 0 HB VAL A 65 0.584 2.068 2.976 1.00 12.50 H new ATOM 0 HG11 VAL A 65 0.486 1.758 0.532 1.00 35.34 H new ATOM 0 HG12 VAL A 65 1.969 1.068 1.234 1.00 35.34 H new ATOM 0 HG13 VAL A 65 0.629 -0.002 0.756 1.00 35.34 H new ATOM 0 HG21 VAL A 65 -1.603 1.836 1.838 1.00 11.20 H new ATOM 0 HG22 VAL A 65 -1.563 0.082 2.136 1.00 11.20 H new ATOM 0 HG23 VAL A 65 -1.653 1.215 3.505 1.00 11.20 H new ATOM 1098 N GLU A 66 2.866 1.118 4.273 1.00 12.32 N ATOM 1099 CA GLU A 66 4.305 1.279 4.530 1.00 13.13 C ATOM 1100 C GLU A 66 4.891 0.001 5.150 1.00 64.55 C ATOM 1101 O GLU A 66 5.904 -0.528 4.686 1.00 23.50 O ATOM 1102 CB GLU A 66 4.543 2.459 5.492 1.00 23.21 C ATOM 1103 CG GLU A 66 3.962 3.797 5.031 1.00 53.54 C ATOM 1104 CD GLU A 66 4.749 4.457 3.905 1.00 43.13 C ATOM 1105 OE1 GLU A 66 5.975 4.638 4.058 1.00 72.03 O ATOM 1106 OE2 GLU A 66 4.139 4.847 2.883 1.00 73.32 O ATOM 0 H GLU A 66 2.291 1.865 4.661 1.00 12.32 H new ATOM 0 HA GLU A 66 4.799 1.475 3.578 1.00 13.13 H new ATOM 0 HB2 GLU A 66 4.114 2.209 6.462 1.00 23.21 H new ATOM 0 HB3 GLU A 66 5.617 2.578 5.639 1.00 23.21 H new ATOM 0 HG2 GLU A 66 2.935 3.641 4.701 1.00 53.54 H new ATOM 0 HG3 GLU A 66 3.924 4.478 5.882 1.00 53.54 H new ATOM 1113 N ASN A 67 4.225 -0.493 6.197 1.00 52.41 N ATOM 1114 CA ASN A 67 4.645 -1.712 6.905 1.00 45.52 C ATOM 1115 C ASN A 67 4.777 -2.913 5.953 1.00 71.13 C ATOM 1116 O ASN A 67 5.737 -3.679 6.040 1.00 61.41 O ATOM 1117 CB ASN A 67 3.639 -2.035 8.019 1.00 1.34 C ATOM 1118 CG ASN A 67 4.020 -3.260 8.834 1.00 14.53 C ATOM 1119 OD1 ASN A 67 5.193 -3.560 9.028 1.00 30.41 O ATOM 1120 ND2 ASN A 67 3.030 -3.975 9.328 1.00 63.10 N ATOM 0 H ASN A 67 3.382 -0.064 6.579 1.00 52.41 H new ATOM 0 HA ASN A 67 5.629 -1.525 7.336 1.00 45.52 H new ATOM 0 HB2 ASN A 67 3.555 -1.176 8.684 1.00 1.34 H new ATOM 0 HB3 ASN A 67 2.655 -2.193 7.577 1.00 1.34 H new ATOM 0 HD21 ASN A 67 3.229 -4.803 9.889 1.00 63.10 H new ATOM 0 HD22 ASN A 67 2.064 -3.700 9.150 1.00 63.10 H new ATOM 1127 N ILE A 68 3.813 -3.074 5.047 1.00 2.02 N ATOM 1128 CA ILE A 68 3.836 -4.182 4.081 1.00 1.32 C ATOM 1129 C ILE A 68 5.085 -4.121 3.182 1.00 65.23 C ATOM 1130 O ILE A 68 5.676 -5.153 2.846 1.00 11.24 O ATOM 1131 CB ILE A 68 2.561 -4.185 3.195 1.00 5.31 C ATOM 1132 CG1 ILE A 68 1.304 -4.340 4.068 1.00 54.20 C ATOM 1133 CG2 ILE A 68 2.622 -5.296 2.142 1.00 3.22 C ATOM 1134 CD1 ILE A 68 0.002 -4.285 3.292 1.00 74.14 C ATOM 0 H ILE A 68 3.007 -2.455 4.958 1.00 2.02 H new ATOM 0 HA ILE A 68 3.866 -5.105 4.661 1.00 1.32 H new ATOM 0 HB ILE A 68 2.510 -3.230 2.672 1.00 5.31 H new ATOM 0 HG12 ILE A 68 1.358 -5.290 4.599 1.00 54.20 H new ATOM 0 HG13 ILE A 68 1.299 -3.553 4.822 1.00 54.20 H new ATOM 0 HG21 ILE A 68 1.716 -5.274 1.537 1.00 3.22 H new ATOM 0 HG22 ILE A 68 3.490 -5.143 1.501 1.00 3.22 H new ATOM 0 HG23 ILE A 68 2.703 -6.263 2.638 1.00 3.22 H new ATOM 0 HD11 ILE A 68 -0.836 -4.402 3.979 1.00 74.14 H new ATOM 0 HD12 ILE A 68 -0.078 -3.325 2.782 1.00 74.14 H new ATOM 0 HD13 ILE A 68 -0.017 -5.089 2.556 1.00 74.14 H new ATOM 1146 N TYR A 69 5.486 -2.909 2.798 1.00 10.54 N ATOM 1147 CA TYR A 69 6.692 -2.723 1.986 1.00 11.42 C ATOM 1148 C TYR A 69 7.960 -2.974 2.820 1.00 64.31 C ATOM 1149 O TYR A 69 8.899 -3.623 2.357 1.00 13.04 O ATOM 1150 CB TYR A 69 6.720 -1.308 1.384 1.00 0.21 C ATOM 1151 CG TYR A 69 7.736 -1.125 0.266 1.00 43.34 C ATOM 1152 CD1 TYR A 69 7.492 -1.638 -1.007 1.00 20.34 C ATOM 1153 CD2 TYR A 69 8.929 -0.438 0.473 1.00 73.53 C ATOM 1154 CE1 TYR A 69 8.403 -1.475 -2.032 1.00 4.43 C ATOM 1155 CE2 TYR A 69 9.844 -0.270 -0.551 1.00 73.21 C ATOM 1156 CZ TYR A 69 9.576 -0.793 -1.800 1.00 22.15 C ATOM 1157 OH TYR A 69 10.485 -0.633 -2.820 1.00 30.24 O ATOM 0 H TYR A 69 4.998 -2.045 3.034 1.00 10.54 H new ATOM 0 HA TYR A 69 6.669 -3.449 1.174 1.00 11.42 H new ATOM 0 HB2 TYR A 69 5.728 -1.069 1.001 1.00 0.21 H new ATOM 0 HB3 TYR A 69 6.936 -0.592 2.177 1.00 0.21 H new ATOM 0 HD1 TYR A 69 6.573 -2.173 -1.195 1.00 20.34 H new ATOM 0 HD2 TYR A 69 9.144 -0.029 1.449 1.00 73.53 H new ATOM 0 HE1 TYR A 69 8.196 -1.881 -3.011 1.00 4.43 H new ATOM 0 HE2 TYR A 69 10.764 0.268 -0.374 1.00 73.21 H new ATOM 0 HH TYR A 69 10.215 -1.179 -3.587 1.00 30.24 H new ATOM 1167 N LEU A 70 7.977 -2.463 4.053 1.00 32.23 N ATOM 1168 CA LEU A 70 9.116 -2.663 4.964 1.00 12.30 C ATOM 1169 C LEU A 70 9.322 -4.152 5.291 1.00 71.02 C ATOM 1170 O LEU A 70 10.455 -4.640 5.341 1.00 42.10 O ATOM 1171 CB LEU A 70 8.907 -1.865 6.260 1.00 73.02 C ATOM 1172 CG LEU A 70 8.789 -0.339 6.085 1.00 53.00 C ATOM 1173 CD1 LEU A 70 8.586 0.349 7.435 1.00 41.25 C ATOM 1174 CD2 LEU A 70 10.017 0.222 5.371 1.00 32.15 C ATOM 0 H LEU A 70 7.218 -1.908 4.447 1.00 32.23 H new ATOM 0 HA LEU A 70 10.012 -2.302 4.459 1.00 12.30 H new ATOM 0 HB2 LEU A 70 8.003 -2.229 6.749 1.00 73.02 H new ATOM 0 HB3 LEU A 70 9.739 -2.073 6.933 1.00 73.02 H new ATOM 0 HG LEU A 70 7.915 -0.137 5.466 1.00 53.00 H new ATOM 0 HD11 LEU A 70 8.505 1.426 7.286 1.00 41.25 H new ATOM 0 HD12 LEU A 70 7.672 -0.023 7.899 1.00 41.25 H new ATOM 0 HD13 LEU A 70 9.435 0.135 8.084 1.00 41.25 H new ATOM 0 HD21 LEU A 70 9.911 1.301 5.259 1.00 32.15 H new ATOM 0 HD22 LEU A 70 10.910 0.004 5.957 1.00 32.15 H new ATOM 0 HD23 LEU A 70 10.108 -0.238 4.387 1.00 32.15 H new ATOM 1186 N LYS A 71 8.220 -4.866 5.515 1.00 24.53 N ATOM 1187 CA LYS A 71 8.262 -6.313 5.760 1.00 1.01 C ATOM 1188 C LYS A 71 8.932 -7.049 4.590 1.00 30.11 C ATOM 1189 O LYS A 71 9.656 -8.027 4.778 1.00 22.25 O ATOM 1190 CB LYS A 71 6.840 -6.852 5.980 1.00 12.22 C ATOM 1191 CG LYS A 71 6.783 -8.348 6.291 1.00 30.50 C ATOM 1192 CD LYS A 71 5.347 -8.837 6.475 1.00 24.45 C ATOM 1193 CE LYS A 71 5.293 -10.327 6.801 1.00 13.02 C ATOM 1194 NZ LYS A 71 5.962 -10.646 8.090 1.00 51.42 N ATOM 0 H LYS A 71 7.281 -4.467 5.533 1.00 24.53 H new ATOM 0 HA LYS A 71 8.854 -6.491 6.658 1.00 1.01 H new ATOM 0 HB2 LYS A 71 6.377 -6.303 6.800 1.00 12.22 H new ATOM 0 HB3 LYS A 71 6.245 -6.654 5.088 1.00 12.22 H new ATOM 0 HG2 LYS A 71 7.256 -8.905 5.482 1.00 30.50 H new ATOM 0 HG3 LYS A 71 7.355 -8.553 7.196 1.00 30.50 H new ATOM 0 HD2 LYS A 71 4.871 -8.272 7.276 1.00 24.45 H new ATOM 0 HD3 LYS A 71 4.778 -8.643 5.566 1.00 24.45 H new ATOM 0 HE2 LYS A 71 4.253 -10.650 6.844 1.00 13.02 H new ATOM 0 HE3 LYS A 71 5.769 -10.890 5.998 1.00 13.02 H new ATOM 0 HZ1 LYS A 71 5.756 -11.631 8.353 1.00 51.42 H new ATOM 0 HZ2 LYS A 71 6.990 -10.522 7.988 1.00 51.42 H new ATOM 0 HZ3 LYS A 71 5.609 -10.008 8.832 1.00 51.42 H new ATOM 1208 N LEU A 72 8.693 -6.560 3.379 1.00 13.13 N ATOM 1209 CA LEU A 72 9.316 -7.127 2.183 1.00 33.30 C ATOM 1210 C LEU A 72 10.832 -6.848 2.159 1.00 63.13 C ATOM 1211 O LEU A 72 11.632 -7.684 1.727 1.00 44.44 O ATOM 1212 CB LEU A 72 8.650 -6.544 0.927 1.00 72.50 C ATOM 1213 CG LEU A 72 9.057 -7.202 -0.402 1.00 74.02 C ATOM 1214 CD1 LEU A 72 8.645 -8.673 -0.426 1.00 53.14 C ATOM 1215 CD2 LEU A 72 8.451 -6.446 -1.584 1.00 11.24 C ATOM 0 H LEU A 72 8.072 -5.772 3.196 1.00 13.13 H new ATOM 0 HA LEU A 72 9.175 -8.208 2.201 1.00 33.30 H new ATOM 0 HB2 LEU A 72 7.569 -6.627 1.038 1.00 72.50 H new ATOM 0 HB3 LEU A 72 8.884 -5.481 0.873 1.00 72.50 H new ATOM 0 HG LEU A 72 10.142 -7.155 -0.490 1.00 74.02 H new ATOM 0 HD11 LEU A 72 8.943 -9.119 -1.375 1.00 53.14 H new ATOM 0 HD12 LEU A 72 9.134 -9.201 0.392 1.00 53.14 H new ATOM 0 HD13 LEU A 72 7.564 -8.750 -0.312 1.00 53.14 H new ATOM 0 HD21 LEU A 72 8.750 -6.927 -2.515 1.00 11.24 H new ATOM 0 HD22 LEU A 72 7.364 -6.456 -1.504 1.00 11.24 H new ATOM 0 HD23 LEU A 72 8.806 -5.415 -1.577 1.00 11.24 H new ATOM 1227 N GLN A 73 11.229 -5.673 2.649 1.00 0.02 N ATOM 1228 CA GLN A 73 12.638 -5.268 2.615 1.00 1.41 C ATOM 1229 C GLN A 73 13.488 -6.057 3.622 1.00 64.31 C ATOM 1230 O GLN A 73 14.652 -6.354 3.355 1.00 61.13 O ATOM 1231 CB GLN A 73 12.772 -3.758 2.852 1.00 31.05 C ATOM 1232 CG GLN A 73 11.851 -2.927 1.961 1.00 52.33 C ATOM 1233 CD GLN A 73 11.861 -3.371 0.502 1.00 63.53 C ATOM 1234 OE1 GLN A 73 12.866 -3.834 -0.026 1.00 25.03 O ATOM 1235 NE2 GLN A 73 10.722 -3.272 -0.149 1.00 65.14 N ATOM 0 H GLN A 73 10.602 -4.989 3.071 1.00 0.02 H new ATOM 0 HA GLN A 73 13.020 -5.500 1.621 1.00 1.41 H new ATOM 0 HB2 GLN A 73 12.551 -3.539 3.897 1.00 31.05 H new ATOM 0 HB3 GLN A 73 13.805 -3.459 2.675 1.00 31.05 H new ATOM 0 HG2 GLN A 73 10.833 -2.989 2.345 1.00 52.33 H new ATOM 0 HG3 GLN A 73 12.150 -1.880 2.017 1.00 52.33 H new ATOM 0 HE21 GLN A 73 9.901 -2.883 0.315 1.00 65.14 H new ATOM 0 HE22 GLN A 73 10.660 -3.585 -1.118 1.00 65.14 H new