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 40 ASN : amide:sc= -0.0683 K(o=-0.068,f=-0.72) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= 1.23 (180deg=-0.185) USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 27 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.6!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 SER OG : rot -43:sc= 1.25 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 156:sc= 0 (180deg=-0.9) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 CYS SG : rot -20:sc= -1.79 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00525 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 164:sc= 0.131 USER MOD Single : A 51 SER OG : rot -81:sc= 0.634 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc=-2.82e-05 (180deg=-0.0609) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 83:sc= 0.813 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0226 (180deg=-0.2) USER MOD Single : A 73 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.601 7.316 -1.129 1.00 60.23 N ATOM 220 CA ILE A 15 10.476 6.778 -1.909 1.00 62.23 C ATOM 221 C ILE A 15 9.139 7.359 -1.416 1.00 42.42 C ATOM 222 O ILE A 15 8.898 7.435 -0.210 1.00 10.14 O ATOM 223 CB ILE A 15 10.421 5.227 -1.814 1.00 44.00 C ATOM 224 CG1 ILE A 15 11.737 4.606 -2.317 1.00 30.15 C ATOM 225 CG2 ILE A 15 9.226 4.673 -2.594 1.00 31.44 C ATOM 226 CD1 ILE A 15 11.790 3.096 -2.200 1.00 11.43 C ATOM 0 HA ILE A 15 10.635 7.068 -2.948 1.00 62.23 H new ATOM 0 HB ILE A 15 10.293 4.956 -0.766 1.00 44.00 H new ATOM 0 HG12 ILE A 15 11.883 4.885 -3.361 1.00 30.15 H new ATOM 0 HG13 ILE A 15 12.567 5.033 -1.754 1.00 30.15 H new ATOM 0 HG21 ILE A 15 9.210 3.586 -2.512 1.00 31.44 H new ATOM 0 HG22 ILE A 15 8.303 5.082 -2.184 1.00 31.44 H new ATOM 0 HG23 ILE A 15 9.313 4.956 -3.643 1.00 31.44 H new ATOM 0 HD11 ILE A 15 12.748 2.735 -2.575 1.00 11.43 H new ATOM 0 HD12 ILE A 15 11.677 2.808 -1.155 1.00 11.43 H new ATOM 0 HD13 ILE A 15 10.983 2.657 -2.786 1.00 11.43 H new ATOM 238 N THR A 16 8.276 7.777 -2.346 1.00 54.21 N ATOM 239 CA THR A 16 6.960 8.335 -1.988 1.00 64.45 C ATOM 240 C THR A 16 5.910 7.230 -1.800 1.00 52.44 C ATOM 241 O THR A 16 6.103 6.094 -2.242 1.00 43.22 O ATOM 242 CB THR A 16 6.433 9.318 -3.065 1.00 64.21 C ATOM 243 OG1 THR A 16 6.160 8.612 -4.288 1.00 74.20 O ATOM 244 CG2 THR A 16 7.435 10.441 -3.324 1.00 74.35 C ATOM 0 H THR A 16 8.459 7.742 -3.349 1.00 54.21 H new ATOM 0 HA THR A 16 7.110 8.869 -1.050 1.00 64.45 H new ATOM 0 HB THR A 16 5.511 9.764 -2.693 1.00 64.21 H new ATOM 0 HG1 THR A 16 5.826 9.241 -4.961 1.00 74.20 H new ATOM 0 HG21 THR A 16 7.038 11.115 -4.084 1.00 74.35 H new ATOM 0 HG22 THR A 16 7.607 10.995 -2.401 1.00 74.35 H new ATOM 0 HG23 THR A 16 8.376 10.016 -3.672 1.00 74.35 H new ATOM 252 N LEU A 17 4.787 7.574 -1.163 1.00 33.41 N ATOM 253 CA LEU A 17 3.695 6.616 -0.939 1.00 14.23 C ATOM 254 C LEU A 17 3.191 6.024 -2.266 1.00 3.31 C ATOM 255 O LEU A 17 2.727 4.884 -2.314 1.00 5.24 O ATOM 256 CB LEU A 17 2.536 7.296 -0.193 1.00 60.32 C ATOM 257 CG LEU A 17 1.295 6.415 0.053 1.00 33.42 C ATOM 258 CD1 LEU A 17 1.634 5.217 0.941 1.00 44.25 C ATOM 259 CD2 LEU A 17 0.161 7.240 0.658 1.00 54.34 C ATOM 0 H LEU A 17 4.608 8.507 -0.793 1.00 33.41 H new ATOM 0 HA LEU A 17 4.085 5.800 -0.330 1.00 14.23 H new ATOM 0 HB2 LEU A 17 2.905 7.650 0.770 1.00 60.32 H new ATOM 0 HB3 LEU A 17 2.229 8.175 -0.759 1.00 60.32 H new ATOM 0 HG LEU A 17 0.960 6.028 -0.910 1.00 33.42 H new ATOM 0 HD11 LEU A 17 0.739 4.615 1.097 1.00 44.25 H new ATOM 0 HD12 LEU A 17 2.400 4.611 0.457 1.00 44.25 H new ATOM 0 HD13 LEU A 17 2.005 5.571 1.903 1.00 44.25 H new ATOM 0 HD21 LEU A 17 -0.706 6.600 0.824 1.00 54.34 H new ATOM 0 HD22 LEU A 17 0.486 7.664 1.608 1.00 54.34 H new ATOM 0 HD23 LEU A 17 -0.108 8.045 -0.026 1.00 54.34 H new ATOM 271 N GLN A 18 3.303 6.802 -3.342 1.00 11.33 N ATOM 272 CA GLN A 18 2.860 6.362 -4.668 1.00 61.45 C ATOM 273 C GLN A 18 3.669 5.150 -5.155 1.00 61.03 C ATOM 274 O GLN A 18 3.109 4.085 -5.427 1.00 0.41 O ATOM 275 CB GLN A 18 2.980 7.519 -5.668 1.00 23.43 C ATOM 276 CG GLN A 18 2.440 7.197 -7.058 1.00 55.43 C ATOM 277 CD GLN A 18 2.542 8.376 -8.010 1.00 21.42 C ATOM 278 OE1 GLN A 18 3.443 9.201 -7.905 1.00 33.03 O ATOM 279 NE2 GLN A 18 1.616 8.470 -8.942 1.00 52.31 N ATOM 0 H GLN A 18 3.697 7.742 -3.323 1.00 11.33 H new ATOM 0 HA GLN A 18 1.816 6.056 -4.594 1.00 61.45 H new ATOM 0 HB2 GLN A 18 2.446 8.383 -5.273 1.00 23.43 H new ATOM 0 HB3 GLN A 18 4.029 7.804 -5.754 1.00 23.43 H new ATOM 0 HG2 GLN A 18 2.991 6.352 -7.471 1.00 55.43 H new ATOM 0 HG3 GLN A 18 1.398 6.889 -6.977 1.00 55.43 H new ATOM 0 HE21 GLN A 18 0.880 7.767 -9.002 1.00 52.31 H new ATOM 0 HE22 GLN A 18 1.635 9.246 -9.604 1.00 52.31 H new ATOM 288 N LYS A 19 4.987 5.314 -5.251 1.00 74.40 N ATOM 289 CA LYS A 19 5.875 4.224 -5.678 1.00 62.13 C ATOM 290 C LYS A 19 5.834 3.076 -4.653 1.00 13.11 C ATOM 291 O LYS A 19 5.909 1.900 -5.015 1.00 44.43 O ATOM 292 CB LYS A 19 7.313 4.758 -5.861 1.00 23.53 C ATOM 293 CG LYS A 19 8.251 3.842 -6.662 1.00 65.23 C ATOM 294 CD LYS A 19 8.802 2.678 -5.839 1.00 72.24 C ATOM 295 CE LYS A 19 9.750 1.799 -6.656 1.00 43.55 C ATOM 296 NZ LYS A 19 9.060 1.110 -7.784 1.00 50.13 N ATOM 0 H LYS A 19 5.467 6.189 -5.040 1.00 74.40 H new ATOM 0 HA LYS A 19 5.532 3.833 -6.636 1.00 62.13 H new ATOM 0 HB2 LYS A 19 7.264 5.726 -6.359 1.00 23.53 H new ATOM 0 HB3 LYS A 19 7.749 4.927 -4.877 1.00 23.53 H new ATOM 0 HG2 LYS A 19 7.714 3.447 -7.524 1.00 65.23 H new ATOM 0 HG3 LYS A 19 9.083 4.432 -7.048 1.00 65.23 H new ATOM 0 HD2 LYS A 19 9.328 3.067 -4.967 1.00 72.24 H new ATOM 0 HD3 LYS A 19 7.975 2.073 -5.468 1.00 72.24 H new ATOM 0 HE2 LYS A 19 10.560 2.413 -7.050 1.00 43.55 H new ATOM 0 HE3 LYS A 19 10.204 1.054 -6.002 1.00 43.55 H new ATOM 0 HZ1 LYS A 19 9.277 0.093 -7.754 1.00 50.13 H new ATOM 0 HZ2 LYS A 19 8.033 1.248 -7.699 1.00 50.13 H new ATOM 0 HZ3 LYS A 19 9.389 1.508 -8.687 1.00 50.13 H new ATOM 310 N LEU A 20 5.700 3.436 -3.377 1.00 34.23 N ATOM 311 CA LEU A 20 5.587 2.457 -2.287 1.00 61.00 C ATOM 312 C LEU A 20 4.404 1.495 -2.529 1.00 43.21 C ATOM 313 O LEU A 20 4.584 0.276 -2.589 1.00 62.34 O ATOM 314 CB LEU A 20 5.430 3.213 -0.948 1.00 41.41 C ATOM 315 CG LEU A 20 5.450 2.365 0.344 1.00 71.03 C ATOM 316 CD1 LEU A 20 5.838 3.228 1.544 1.00 42.10 C ATOM 317 CD2 LEU A 20 4.095 1.701 0.599 1.00 11.22 C ATOM 0 H LEU A 20 5.666 4.407 -3.067 1.00 34.23 H new ATOM 0 HA LEU A 20 6.491 1.849 -2.250 1.00 61.00 H new ATOM 0 HB2 LEU A 20 6.229 3.952 -0.881 1.00 41.41 H new ATOM 0 HB3 LEU A 20 4.489 3.763 -0.978 1.00 41.41 H new ATOM 0 HG LEU A 20 6.194 1.580 0.210 1.00 71.03 H new ATOM 0 HD11 LEU A 20 5.847 2.615 2.445 1.00 42.10 H new ATOM 0 HD12 LEU A 20 6.830 3.651 1.383 1.00 42.10 H new ATOM 0 HD13 LEU A 20 5.114 4.035 1.661 1.00 42.10 H new ATOM 0 HD21 LEU A 20 4.145 1.113 1.515 1.00 11.22 H new ATOM 0 HD22 LEU A 20 3.327 2.468 0.702 1.00 11.22 H new ATOM 0 HD23 LEU A 20 3.846 1.049 -0.238 1.00 11.22 H new ATOM 329 N LEU A 21 3.203 2.054 -2.679 1.00 1.53 N ATOM 330 CA LEU A 21 2.005 1.244 -2.935 1.00 61.30 C ATOM 331 C LEU A 21 2.118 0.485 -4.266 1.00 30.02 C ATOM 332 O LEU A 21 1.720 -0.676 -4.363 1.00 73.01 O ATOM 333 CB LEU A 21 0.746 2.120 -2.931 1.00 5.41 C ATOM 334 CG LEU A 21 -0.579 1.358 -3.099 1.00 14.54 C ATOM 335 CD1 LEU A 21 -0.789 0.361 -1.958 1.00 30.21 C ATOM 336 CD2 LEU A 21 -1.749 2.333 -3.188 1.00 50.02 C ATOM 0 H LEU A 21 3.031 3.058 -2.629 1.00 1.53 H new ATOM 0 HA LEU A 21 1.925 0.512 -2.132 1.00 61.30 H new ATOM 0 HB2 LEU A 21 0.712 2.675 -1.994 1.00 5.41 H new ATOM 0 HB3 LEU A 21 0.830 2.853 -3.733 1.00 5.41 H new ATOM 0 HG LEU A 21 -0.529 0.794 -4.030 1.00 14.54 H new ATOM 0 HD11 LEU A 21 -1.733 -0.164 -2.102 1.00 30.21 H new ATOM 0 HD12 LEU A 21 0.029 -0.360 -1.949 1.00 30.21 H new ATOM 0 HD13 LEU A 21 -0.812 0.895 -1.008 1.00 30.21 H new ATOM 0 HD21 LEU A 21 -2.678 1.776 -3.307 1.00 50.02 H new ATOM 0 HD22 LEU A 21 -1.797 2.928 -2.276 1.00 50.02 H new ATOM 0 HD23 LEU A 21 -1.609 2.992 -4.045 1.00 50.02 H new ATOM 348 N THR A 22 2.673 1.141 -5.287 1.00 11.01 N ATOM 349 CA THR A 22 2.903 0.497 -6.591 1.00 35.43 C ATOM 350 C THR A 22 3.687 -0.815 -6.428 1.00 63.20 C ATOM 351 O THR A 22 3.299 -1.855 -6.962 1.00 55.33 O ATOM 352 CB THR A 22 3.670 1.431 -7.566 1.00 32.22 C ATOM 353 OG1 THR A 22 2.923 2.635 -7.797 1.00 74.14 O ATOM 354 CG2 THR A 22 3.936 0.745 -8.900 1.00 34.33 C ATOM 0 H THR A 22 2.972 2.115 -5.241 1.00 11.01 H new ATOM 0 HA THR A 22 1.921 0.282 -7.012 1.00 35.43 H new ATOM 0 HB THR A 22 4.626 1.674 -7.101 1.00 32.22 H new ATOM 0 HG1 THR A 22 2.947 3.195 -6.993 1.00 74.14 H new ATOM 0 HG21 THR A 22 4.474 1.427 -9.559 1.00 34.33 H new ATOM 0 HG22 THR A 22 4.536 -0.150 -8.736 1.00 34.33 H new ATOM 0 HG23 THR A 22 2.988 0.467 -9.362 1.00 34.33 H new ATOM 362 N GLU A 23 4.782 -0.760 -5.666 1.00 21.55 N ATOM 363 CA GLU A 23 5.565 -1.959 -5.333 1.00 4.43 C ATOM 364 C GLU A 23 4.678 -3.054 -4.721 1.00 34.33 C ATOM 365 O GLU A 23 4.756 -4.226 -5.105 1.00 5.52 O ATOM 366 CB GLU A 23 6.689 -1.606 -4.348 1.00 45.54 C ATOM 367 CG GLU A 23 7.881 -0.888 -4.973 1.00 44.40 C ATOM 368 CD GLU A 23 8.680 -1.778 -5.911 1.00 31.34 C ATOM 369 OE1 GLU A 23 9.258 -2.783 -5.435 1.00 51.31 O ATOM 370 OE2 GLU A 23 8.742 -1.477 -7.119 1.00 61.13 O ATOM 0 H GLU A 23 5.150 0.103 -5.266 1.00 21.55 H new ATOM 0 HA GLU A 23 5.996 -2.338 -6.260 1.00 4.43 H new ATOM 0 HB2 GLU A 23 6.277 -0.978 -3.558 1.00 45.54 H new ATOM 0 HB3 GLU A 23 7.041 -2.523 -3.876 1.00 45.54 H new ATOM 0 HG2 GLU A 23 7.527 -0.015 -5.522 1.00 44.40 H new ATOM 0 HG3 GLU A 23 8.535 -0.523 -4.181 1.00 44.40 H new ATOM 377 N LEU A 24 3.840 -2.664 -3.768 1.00 4.24 N ATOM 378 CA LEU A 24 2.944 -3.605 -3.086 1.00 1.24 C ATOM 379 C LEU A 24 1.926 -4.223 -4.057 1.00 3.14 C ATOM 380 O LEU A 24 1.629 -5.414 -3.982 1.00 75.43 O ATOM 381 CB LEU A 24 2.218 -2.896 -1.937 1.00 11.33 C ATOM 382 CG LEU A 24 3.140 -2.247 -0.893 1.00 63.43 C ATOM 383 CD1 LEU A 24 2.326 -1.613 0.231 1.00 74.15 C ATOM 384 CD2 LEU A 24 4.137 -3.266 -0.341 1.00 43.12 C ATOM 0 H LEU A 24 3.758 -1.700 -3.445 1.00 4.24 H new ATOM 0 HA LEU A 24 3.552 -4.416 -2.685 1.00 1.24 H new ATOM 0 HB2 LEU A 24 1.569 -2.127 -2.356 1.00 11.33 H new ATOM 0 HB3 LEU A 24 1.574 -3.617 -1.434 1.00 11.33 H new ATOM 0 HG LEU A 24 3.706 -1.456 -1.385 1.00 63.43 H new ATOM 0 HD11 LEU A 24 3.000 -1.160 0.958 1.00 74.15 H new ATOM 0 HD12 LEU A 24 1.670 -0.847 -0.182 1.00 74.15 H new ATOM 0 HD13 LEU A 24 1.725 -2.379 0.722 1.00 74.15 H new ATOM 0 HD21 LEU A 24 4.779 -2.784 0.396 1.00 43.12 H new ATOM 0 HD22 LEU A 24 3.596 -4.086 0.130 1.00 43.12 H new ATOM 0 HD23 LEU A 24 4.748 -3.655 -1.155 1.00 43.12 H new ATOM 396 N VAL A 25 1.404 -3.414 -4.971 1.00 1.53 N ATOM 397 CA VAL A 25 0.416 -3.886 -5.949 1.00 25.04 C ATOM 398 C VAL A 25 1.051 -4.799 -7.014 1.00 12.33 C ATOM 399 O VAL A 25 0.460 -5.804 -7.409 1.00 12.13 O ATOM 400 CB VAL A 25 -0.296 -2.698 -6.642 1.00 43.24 C ATOM 401 CG1 VAL A 25 -1.302 -3.187 -7.686 1.00 1.30 C ATOM 402 CG2 VAL A 25 -0.981 -1.813 -5.603 1.00 32.04 C ATOM 0 H VAL A 25 1.645 -2.427 -5.060 1.00 1.53 H new ATOM 0 HA VAL A 25 -0.319 -4.468 -5.393 1.00 25.04 H new ATOM 0 HB VAL A 25 0.458 -2.107 -7.162 1.00 43.24 H new ATOM 0 HG11 VAL A 25 -1.785 -2.330 -8.155 1.00 1.30 H new ATOM 0 HG12 VAL A 25 -0.783 -3.771 -8.446 1.00 1.30 H new ATOM 0 HG13 VAL A 25 -2.055 -3.809 -7.202 1.00 1.30 H new ATOM 0 HG21 VAL A 25 -1.478 -0.982 -6.104 1.00 32.04 H new ATOM 0 HG22 VAL A 25 -1.719 -2.399 -5.055 1.00 32.04 H new ATOM 0 HG23 VAL A 25 -0.236 -1.425 -4.908 1.00 32.04 H new ATOM 412 N GLU A 26 2.256 -4.458 -7.469 1.00 20.42 N ATOM 413 CA GLU A 26 2.947 -5.263 -8.487 1.00 32.01 C ATOM 414 C GLU A 26 3.384 -6.639 -7.945 1.00 22.04 C ATOM 415 O GLU A 26 3.406 -7.621 -8.685 1.00 0.14 O ATOM 416 CB GLU A 26 4.170 -4.512 -9.038 1.00 1.25 C ATOM 417 CG GLU A 26 3.826 -3.220 -9.779 1.00 23.03 C ATOM 418 CD GLU A 26 5.013 -2.645 -10.543 1.00 22.52 C ATOM 419 OE1 GLU A 26 5.225 -3.042 -11.711 1.00 21.12 O ATOM 420 OE2 GLU A 26 5.745 -1.800 -9.983 1.00 54.15 O ATOM 0 H GLU A 26 2.774 -3.638 -7.155 1.00 20.42 H new ATOM 0 HA GLU A 26 2.232 -5.432 -9.292 1.00 32.01 H new ATOM 0 HB2 GLU A 26 4.841 -4.277 -8.212 1.00 1.25 H new ATOM 0 HB3 GLU A 26 4.714 -5.172 -9.713 1.00 1.25 H new ATOM 0 HG2 GLU A 26 3.010 -3.412 -10.475 1.00 23.03 H new ATOM 0 HG3 GLU A 26 3.467 -2.480 -9.063 1.00 23.03 H new ATOM 427 N HIS A 27 3.735 -6.706 -6.661 1.00 55.24 N ATOM 428 CA HIS A 27 4.231 -7.957 -6.060 1.00 42.35 C ATOM 429 C HIS A 27 3.131 -8.726 -5.303 1.00 2.15 C ATOM 430 O HIS A 27 2.987 -9.940 -5.470 1.00 11.21 O ATOM 431 CB HIS A 27 5.417 -7.658 -5.132 1.00 34.41 C ATOM 432 CG HIS A 27 6.600 -7.089 -5.861 1.00 11.23 C ATOM 433 ND1 HIS A 27 6.881 -5.741 -5.899 1.00 14.33 N ATOM 434 CD2 HIS A 27 7.570 -7.690 -6.588 1.00 32.30 C ATOM 435 CE1 HIS A 27 7.965 -5.539 -6.619 1.00 61.10 C ATOM 436 NE2 HIS A 27 8.404 -6.702 -7.050 1.00 23.05 N ATOM 0 H HIS A 27 3.688 -5.918 -6.015 1.00 55.24 H new ATOM 0 HA HIS A 27 4.560 -8.602 -6.875 1.00 42.35 H new ATOM 0 HB2 HIS A 27 5.100 -6.956 -4.360 1.00 34.41 H new ATOM 0 HB3 HIS A 27 5.716 -8.576 -4.625 1.00 34.41 H new ATOM 0 HD1 HIS A 27 6.334 -5.012 -5.440 1.00 14.33 H new ATOM 0 HD2 HIS A 27 7.670 -8.750 -6.771 1.00 32.30 H new ATOM 0 HE1 HIS A 27 8.418 -4.580 -6.822 1.00 61.10 H new ATOM 445 N TYR A 28 2.362 -8.030 -4.469 1.00 53.25 N ATOM 446 CA TYR A 28 1.277 -8.670 -3.706 1.00 60.51 C ATOM 447 C TYR A 28 -0.065 -8.563 -4.452 1.00 70.35 C ATOM 448 O TYR A 28 -0.693 -9.572 -4.780 1.00 44.54 O ATOM 449 CB TYR A 28 1.158 -8.036 -2.311 1.00 11.43 C ATOM 450 CG TYR A 28 2.438 -8.107 -1.498 1.00 71.25 C ATOM 451 CD1 TYR A 28 2.781 -9.261 -0.798 1.00 24.31 C ATOM 452 CD2 TYR A 28 3.305 -7.020 -1.427 1.00 42.30 C ATOM 453 CE1 TYR A 28 3.946 -9.329 -0.057 1.00 1.11 C ATOM 454 CE2 TYR A 28 4.472 -7.084 -0.690 1.00 51.43 C ATOM 455 CZ TYR A 28 4.786 -8.237 -0.007 1.00 35.11 C ATOM 456 OH TYR A 28 5.947 -8.299 0.731 1.00 25.11 O ATOM 0 H TYR A 28 2.463 -7.029 -4.300 1.00 53.25 H new ATOM 0 HA TYR A 28 1.522 -9.726 -3.596 1.00 60.51 H new ATOM 0 HB2 TYR A 28 0.864 -6.992 -2.420 1.00 11.43 H new ATOM 0 HB3 TYR A 28 0.360 -8.536 -1.761 1.00 11.43 H new ATOM 0 HD1 TYR A 28 2.125 -10.118 -0.835 1.00 24.31 H new ATOM 0 HD2 TYR A 28 3.061 -6.111 -1.957 1.00 42.30 H new ATOM 0 HE1 TYR A 28 4.197 -10.232 0.480 1.00 1.11 H new ATOM 0 HE2 TYR A 28 5.135 -6.233 -0.650 1.00 51.43 H new ATOM 0 HH TYR A 28 6.274 -9.223 0.749 1.00 25.11 H new ATOM 466 N GLY A 29 -0.493 -7.338 -4.730 1.00 0.44 N ATOM 467 CA GLY A 29 -1.757 -7.125 -5.431 1.00 73.24 C ATOM 468 C GLY A 29 -2.898 -6.733 -4.496 1.00 2.42 C ATOM 469 O GLY A 29 -2.807 -6.915 -3.283 1.00 30.55 O ATOM 0 H GLY A 29 0.008 -6.484 -4.485 1.00 0.44 H new ATOM 0 HA2 GLY A 29 -1.624 -6.344 -6.180 1.00 73.24 H new ATOM 0 HA3 GLY A 29 -2.028 -8.036 -5.965 1.00 73.24 H new ATOM 473 N TRP A 30 -3.985 -6.224 -5.070 1.00 71.21 N ATOM 474 CA TRP A 30 -5.119 -5.705 -4.293 1.00 40.54 C ATOM 475 C TRP A 30 -5.770 -6.792 -3.421 1.00 71.35 C ATOM 476 O TRP A 30 -6.129 -6.548 -2.264 1.00 3.41 O ATOM 477 CB TRP A 30 -6.162 -5.105 -5.245 1.00 63.52 C ATOM 478 CG TRP A 30 -5.604 -4.051 -6.157 1.00 5.13 C ATOM 479 CD1 TRP A 30 -5.371 -4.166 -7.498 1.00 23.31 C ATOM 480 CD2 TRP A 30 -5.191 -2.727 -5.793 1.00 51.30 C ATOM 481 NE1 TRP A 30 -4.853 -2.993 -7.988 1.00 30.12 N ATOM 482 CE2 TRP A 30 -4.732 -2.096 -6.963 1.00 75.22 C ATOM 483 CE3 TRP A 30 -5.171 -2.014 -4.593 1.00 15.22 C ATOM 484 CZ2 TRP A 30 -4.257 -0.789 -6.968 1.00 75.11 C ATOM 485 CZ3 TRP A 30 -4.697 -0.716 -4.600 1.00 4.51 C ATOM 486 CH2 TRP A 30 -4.248 -0.115 -5.780 1.00 70.32 C ATOM 0 H TRP A 30 -4.109 -6.158 -6.080 1.00 71.21 H new ATOM 0 HA TRP A 30 -4.738 -4.935 -3.623 1.00 40.54 H new ATOM 0 HB2 TRP A 30 -6.594 -5.904 -5.848 1.00 63.52 H new ATOM 0 HB3 TRP A 30 -6.973 -4.674 -4.658 1.00 63.52 H new ATOM 0 HD1 TRP A 30 -5.566 -5.050 -8.087 1.00 23.31 H new ATOM 0 HE1 TRP A 30 -4.599 -2.819 -8.960 1.00 30.12 H new ATOM 0 HE3 TRP A 30 -5.519 -2.468 -3.677 1.00 15.22 H new ATOM 0 HZ2 TRP A 30 -3.908 -0.324 -7.878 1.00 75.11 H new ATOM 0 HZ3 TRP A 30 -4.673 -0.155 -3.677 1.00 4.51 H new ATOM 0 HH2 TRP A 30 -3.887 0.902 -5.752 1.00 70.32 H new ATOM 497 N GLU A 31 -5.915 -7.991 -3.979 1.00 34.02 N ATOM 498 CA GLU A 31 -6.507 -9.123 -3.256 1.00 3.41 C ATOM 499 C GLU A 31 -5.765 -9.396 -1.939 1.00 60.40 C ATOM 500 O GLU A 31 -6.367 -9.415 -0.866 1.00 32.01 O ATOM 501 CB GLU A 31 -6.498 -10.381 -4.135 1.00 42.31 C ATOM 502 CG GLU A 31 -7.368 -10.267 -5.384 1.00 24.15 C ATOM 503 CD GLU A 31 -8.854 -10.161 -5.067 1.00 50.41 C ATOM 504 OE1 GLU A 31 -9.350 -9.034 -4.859 1.00 14.21 O ATOM 505 OE2 GLU A 31 -9.533 -11.207 -5.031 1.00 12.43 O ATOM 0 H GLU A 31 -5.630 -8.209 -4.934 1.00 34.02 H new ATOM 0 HA GLU A 31 -7.538 -8.862 -3.016 1.00 3.41 H new ATOM 0 HB2 GLU A 31 -5.473 -10.595 -4.436 1.00 42.31 H new ATOM 0 HB3 GLU A 31 -6.839 -11.229 -3.542 1.00 42.31 H new ATOM 0 HG2 GLU A 31 -7.061 -9.391 -5.955 1.00 24.15 H new ATOM 0 HG3 GLU A 31 -7.199 -11.137 -6.019 1.00 24.15 H new ATOM 512 N GLU A 32 -4.454 -9.587 -2.029 1.00 1.22 N ATOM 513 CA GLU A 32 -3.625 -9.830 -0.844 1.00 11.15 C ATOM 514 C GLU A 32 -3.582 -8.607 0.087 1.00 13.13 C ATOM 515 O GLU A 32 -3.751 -8.740 1.296 1.00 20.53 O ATOM 516 CB GLU A 32 -2.201 -10.250 -1.253 1.00 45.23 C ATOM 517 CG GLU A 32 -2.046 -11.743 -1.554 1.00 45.52 C ATOM 518 CD GLU A 32 -2.939 -12.236 -2.684 1.00 50.22 C ATOM 519 OE1 GLU A 32 -4.096 -12.612 -2.418 1.00 74.24 O ATOM 520 OE2 GLU A 32 -2.479 -12.265 -3.846 1.00 53.34 O ATOM 0 H GLU A 32 -3.938 -9.579 -2.909 1.00 1.22 H new ATOM 0 HA GLU A 32 -4.085 -10.647 -0.288 1.00 11.15 H new ATOM 0 HB2 GLU A 32 -1.906 -9.681 -2.135 1.00 45.23 H new ATOM 0 HB3 GLU A 32 -1.511 -9.979 -0.454 1.00 45.23 H new ATOM 0 HG2 GLU A 32 -1.006 -11.947 -1.809 1.00 45.52 H new ATOM 0 HG3 GLU A 32 -2.270 -12.312 -0.651 1.00 45.52 H new ATOM 527 N LEU A 33 -3.381 -7.415 -0.478 1.00 21.35 N ATOM 528 CA LEU A 33 -3.302 -6.186 0.327 1.00 53.43 C ATOM 529 C LEU A 33 -4.570 -5.967 1.172 1.00 24.03 C ATOM 530 O LEU A 33 -4.498 -5.461 2.295 1.00 73.25 O ATOM 531 CB LEU A 33 -3.051 -4.967 -0.573 1.00 40.12 C ATOM 532 CG LEU A 33 -1.678 -4.940 -1.268 1.00 43.42 C ATOM 533 CD1 LEU A 33 -1.556 -3.724 -2.184 1.00 4.23 C ATOM 534 CD2 LEU A 33 -0.552 -4.954 -0.237 1.00 71.45 C ATOM 0 H LEU A 33 -3.270 -7.271 -1.482 1.00 21.35 H new ATOM 0 HA LEU A 33 -2.463 -6.304 1.013 1.00 53.43 H new ATOM 0 HB2 LEU A 33 -3.828 -4.933 -1.337 1.00 40.12 H new ATOM 0 HB3 LEU A 33 -3.154 -4.064 0.028 1.00 40.12 H new ATOM 0 HG LEU A 33 -1.591 -5.836 -1.882 1.00 43.42 H new ATOM 0 HD11 LEU A 33 -0.577 -3.727 -2.664 1.00 4.23 H new ATOM 0 HD12 LEU A 33 -2.334 -3.763 -2.946 1.00 4.23 H new ATOM 0 HD13 LEU A 33 -1.669 -2.813 -1.596 1.00 4.23 H new ATOM 0 HD21 LEU A 33 0.410 -4.935 -0.749 1.00 71.45 H new ATOM 0 HD22 LEU A 33 -0.638 -4.079 0.408 1.00 71.45 H new ATOM 0 HD23 LEU A 33 -0.623 -5.858 0.367 1.00 71.45 H new ATOM 546 N SER A 34 -5.727 -6.358 0.639 1.00 24.10 N ATOM 547 CA SER A 34 -6.996 -6.231 1.373 1.00 31.10 C ATOM 548 C SER A 34 -7.079 -7.225 2.543 1.00 65.24 C ATOM 549 O SER A 34 -7.997 -7.161 3.362 1.00 33.35 O ATOM 550 CB SER A 34 -8.196 -6.431 0.437 1.00 61.23 C ATOM 551 OG SER A 34 -8.291 -7.772 -0.015 1.00 70.52 O ATOM 0 H SER A 34 -5.817 -6.764 -0.293 1.00 24.10 H new ATOM 0 HA SER A 34 -7.027 -5.220 1.780 1.00 31.10 H new ATOM 0 HB2 SER A 34 -9.113 -6.157 0.958 1.00 61.23 H new ATOM 0 HB3 SER A 34 -8.104 -5.764 -0.420 1.00 61.23 H new ATOM 0 HG SER A 34 -7.400 -8.099 -0.259 1.00 70.52 H new ATOM 557 N TYR A 35 -6.125 -8.154 2.606 1.00 63.21 N ATOM 558 CA TYR A 35 -6.020 -9.087 3.737 1.00 20.54 C ATOM 559 C TYR A 35 -5.083 -8.537 4.816 1.00 64.42 C ATOM 560 O TYR A 35 -5.361 -8.660 6.011 1.00 14.32 O ATOM 561 CB TYR A 35 -5.522 -10.460 3.271 1.00 41.14 C ATOM 562 CG TYR A 35 -6.398 -11.102 2.215 1.00 73.22 C ATOM 563 CD1 TYR A 35 -7.777 -10.949 2.244 1.00 43.13 C ATOM 564 CD2 TYR A 35 -5.843 -11.855 1.188 1.00 20.51 C ATOM 565 CE1 TYR A 35 -8.580 -11.525 1.283 1.00 52.22 C ATOM 566 CE2 TYR A 35 -6.640 -12.434 0.217 1.00 74.53 C ATOM 567 CZ TYR A 35 -8.010 -12.267 0.272 1.00 4.21 C ATOM 568 OH TYR A 35 -8.817 -12.840 -0.686 1.00 0.00 O ATOM 0 H TYR A 35 -5.412 -8.284 1.889 1.00 63.21 H new ATOM 0 HA TYR A 35 -7.017 -9.200 4.162 1.00 20.54 H new ATOM 0 HB2 TYR A 35 -4.511 -10.355 2.877 1.00 41.14 H new ATOM 0 HB3 TYR A 35 -5.460 -11.125 4.132 1.00 41.14 H new ATOM 0 HD1 TYR A 35 -8.229 -10.368 3.034 1.00 43.13 H new ATOM 0 HD2 TYR A 35 -4.772 -11.990 1.147 1.00 20.51 H new ATOM 0 HE1 TYR A 35 -9.651 -11.395 1.323 1.00 52.22 H new ATOM 0 HE2 TYR A 35 -6.194 -13.013 -0.579 1.00 74.53 H new ATOM 0 HH TYR A 35 -8.264 -13.329 -1.330 1.00 0.00 H new ATOM 578 N MET A 36 -3.959 -7.951 4.392 1.00 61.22 N ATOM 579 CA MET A 36 -3.050 -7.272 5.324 1.00 32.11 C ATOM 580 C MET A 36 -3.800 -6.175 6.098 1.00 51.02 C ATOM 581 O MET A 36 -3.684 -6.060 7.321 1.00 52.05 O ATOM 582 CB MET A 36 -1.855 -6.646 4.585 1.00 4.15 C ATOM 583 CG MET A 36 -0.850 -7.642 4.013 1.00 4.22 C ATOM 584 SD MET A 36 -1.562 -8.710 2.752 1.00 71.51 S ATOM 585 CE MET A 36 -0.083 -9.375 1.986 1.00 20.14 C ATOM 0 H MET A 36 -3.657 -7.932 3.418 1.00 61.22 H new ATOM 0 HA MET A 36 -2.674 -8.021 6.021 1.00 32.11 H new ATOM 0 HB2 MET A 36 -2.235 -6.029 3.770 1.00 4.15 H new ATOM 0 HB3 MET A 36 -1.332 -5.980 5.272 1.00 4.15 H new ATOM 0 HG2 MET A 36 -0.008 -7.097 3.587 1.00 4.22 H new ATOM 0 HG3 MET A 36 -0.455 -8.257 4.822 1.00 4.22 H new ATOM 0 HE1 MET A 36 -0.317 -10.327 1.510 1.00 20.14 H new ATOM 0 HE2 MET A 36 0.284 -8.675 1.236 1.00 20.14 H new ATOM 0 HE3 MET A 36 0.683 -9.528 2.746 1.00 20.14 H new ATOM 595 N VAL A 37 -4.557 -5.360 5.358 1.00 51.24 N ATOM 596 CA VAL A 37 -5.417 -4.328 5.945 1.00 24.51 C ATOM 597 C VAL A 37 -6.854 -4.463 5.412 1.00 0.11 C ATOM 598 O VAL A 37 -7.170 -3.996 4.314 1.00 43.30 O ATOM 599 CB VAL A 37 -4.885 -2.901 5.642 1.00 73.33 C ATOM 600 CG1 VAL A 37 -5.728 -1.839 6.349 1.00 40.04 C ATOM 601 CG2 VAL A 37 -3.411 -2.770 6.031 1.00 70.01 C ATOM 0 H VAL A 37 -4.591 -5.396 4.339 1.00 51.24 H new ATOM 0 HA VAL A 37 -5.412 -4.474 7.025 1.00 24.51 H new ATOM 0 HB VAL A 37 -4.967 -2.737 4.567 1.00 73.33 H new ATOM 0 HG11 VAL A 37 -5.333 -0.849 6.120 1.00 40.04 H new ATOM 0 HG12 VAL A 37 -6.760 -1.906 6.006 1.00 40.04 H new ATOM 0 HG13 VAL A 37 -5.692 -2.003 7.426 1.00 40.04 H new ATOM 0 HG21 VAL A 37 -3.064 -1.761 5.808 1.00 70.01 H new ATOM 0 HG22 VAL A 37 -3.297 -2.966 7.097 1.00 70.01 H new ATOM 0 HG23 VAL A 37 -2.820 -3.490 5.465 1.00 70.01 H new ATOM 611 N ASN A 38 -7.718 -5.125 6.184 1.00 62.42 N ATOM 612 CA ASN A 38 -9.101 -5.373 5.759 1.00 52.14 C ATOM 613 C ASN A 38 -9.941 -4.086 5.733 1.00 43.31 C ATOM 614 O ASN A 38 -10.712 -3.807 6.653 1.00 2.20 O ATOM 615 CB ASN A 38 -9.765 -6.422 6.658 1.00 54.24 C ATOM 616 CG ASN A 38 -9.089 -7.779 6.562 1.00 34.31 C ATOM 617 OD1 ASN A 38 -8.160 -8.074 7.302 1.00 25.24 O ATOM 618 ND2 ASN A 38 -9.542 -8.613 5.645 1.00 22.33 N ATOM 0 H ASN A 38 -7.487 -5.499 7.105 1.00 62.42 H new ATOM 0 HA ASN A 38 -9.056 -5.755 4.739 1.00 52.14 H new ATOM 0 HB2 ASN A 38 -9.739 -6.079 7.692 1.00 54.24 H new ATOM 0 HB3 ASN A 38 -10.815 -6.522 6.381 1.00 54.24 H new ATOM 0 HD21 ASN A 38 -9.116 -9.534 5.538 1.00 22.33 H new ATOM 0 HD22 ASN A 38 -10.318 -8.337 5.044 1.00 22.33 H new ATOM 625 N ILE A 39 -9.770 -3.300 4.676 1.00 22.14 N ATOM 626 CA ILE A 39 -10.564 -2.089 4.458 1.00 33.35 C ATOM 627 C ILE A 39 -11.157 -2.078 3.044 1.00 54.55 C ATOM 628 O ILE A 39 -10.523 -2.538 2.088 1.00 10.35 O ATOM 629 CB ILE A 39 -9.729 -0.796 4.671 1.00 75.23 C ATOM 630 CG1 ILE A 39 -8.483 -0.799 3.767 1.00 44.50 C ATOM 631 CG2 ILE A 39 -9.342 -0.647 6.142 1.00 4.33 C ATOM 632 CD1 ILE A 39 -7.650 0.465 3.861 1.00 23.10 C ATOM 0 H ILE A 39 -9.080 -3.480 3.946 1.00 22.14 H new ATOM 0 HA ILE A 39 -11.367 -2.103 5.195 1.00 33.35 H new ATOM 0 HB ILE A 39 -10.341 0.062 4.394 1.00 75.23 H new ATOM 0 HG12 ILE A 39 -7.859 -1.653 4.029 1.00 44.50 H new ATOM 0 HG13 ILE A 39 -8.797 -0.939 2.733 1.00 44.50 H new ATOM 0 HG21 ILE A 39 -8.758 0.264 6.274 1.00 4.33 H new ATOM 0 HG22 ILE A 39 -10.244 -0.591 6.752 1.00 4.33 H new ATOM 0 HG23 ILE A 39 -8.748 -1.507 6.451 1.00 4.33 H new ATOM 0 HD11 ILE A 39 -6.791 0.385 3.195 1.00 23.10 H new ATOM 0 HD12 ILE A 39 -8.256 1.323 3.570 1.00 23.10 H new ATOM 0 HD13 ILE A 39 -7.303 0.597 4.886 1.00 23.10 H new ATOM 644 N ASN A 40 -12.370 -1.549 2.911 1.00 11.02 N ATOM 645 CA ASN A 40 -13.053 -1.503 1.616 1.00 75.21 C ATOM 646 C ASN A 40 -12.490 -0.371 0.738 1.00 33.54 C ATOM 647 O ASN A 40 -13.145 0.642 0.489 1.00 75.41 O ATOM 648 CB ASN A 40 -14.567 -1.347 1.822 1.00 23.30 C ATOM 649 CG ASN A 40 -15.355 -1.416 0.525 1.00 3.30 C ATOM 650 OD1 ASN A 40 -14.930 -2.031 -0.446 1.00 10.43 O ATOM 651 ND2 ASN A 40 -16.517 -0.796 0.507 1.00 75.10 N ATOM 0 H ASN A 40 -12.902 -1.146 3.682 1.00 11.02 H new ATOM 0 HA ASN A 40 -12.874 -2.443 1.094 1.00 75.21 H new ATOM 0 HB2 ASN A 40 -14.918 -2.128 2.496 1.00 23.30 H new ATOM 0 HB3 ASN A 40 -14.765 -0.393 2.310 1.00 23.30 H new ATOM 0 HD21 ASN A 40 -17.094 -0.818 -0.334 1.00 75.10 H new ATOM 0 HD22 ASN A 40 -16.840 -0.293 1.334 1.00 75.10 H new ATOM 658 N CYS A 41 -11.246 -0.554 0.305 1.00 43.44 N ATOM 659 CA CYS A 41 -10.562 0.399 -0.583 1.00 4.51 C ATOM 660 C CYS A 41 -9.697 -0.333 -1.615 1.00 33.42 C ATOM 661 O CYS A 41 -9.527 0.134 -2.737 1.00 15.24 O ATOM 662 CB CYS A 41 -9.689 1.368 0.221 1.00 61.12 C ATOM 663 SG CYS A 41 -8.735 2.517 -0.801 1.00 74.35 S ATOM 0 H CYS A 41 -10.679 -1.364 0.556 1.00 43.44 H new ATOM 0 HA CYS A 41 -11.332 0.966 -1.106 1.00 4.51 H new ATOM 0 HB2 CYS A 41 -10.325 1.940 0.896 1.00 61.12 H new ATOM 0 HB3 CYS A 41 -9.002 0.793 0.842 1.00 61.12 H new ATOM 0 HG CYS A 41 -8.645 2.050 -2.011 1.00 74.35 H new ATOM 669 N PHE A 42 -9.141 -1.480 -1.222 1.00 41.24 N ATOM 670 CA PHE A 42 -8.352 -2.312 -2.144 1.00 71.34 C ATOM 671 C PHE A 42 -9.256 -3.271 -2.942 1.00 52.24 C ATOM 672 O PHE A 42 -8.785 -4.038 -3.780 1.00 1.04 O ATOM 673 CB PHE A 42 -7.287 -3.110 -1.370 1.00 3.03 C ATOM 674 CG PHE A 42 -6.355 -2.253 -0.546 1.00 1.23 C ATOM 675 CD1 PHE A 42 -5.681 -1.183 -1.119 1.00 33.40 C ATOM 676 CD2 PHE A 42 -6.144 -2.525 0.801 1.00 21.53 C ATOM 677 CE1 PHE A 42 -4.823 -0.403 -0.369 1.00 61.50 C ATOM 678 CE2 PHE A 42 -5.286 -1.746 1.555 1.00 0.40 C ATOM 679 CZ PHE A 42 -4.625 -0.684 0.969 1.00 62.40 C ATOM 0 H PHE A 42 -9.219 -1.856 -0.277 1.00 41.24 H new ATOM 0 HA PHE A 42 -7.854 -1.648 -2.850 1.00 71.34 H new ATOM 0 HB2 PHE A 42 -7.787 -3.821 -0.712 1.00 3.03 H new ATOM 0 HB3 PHE A 42 -6.698 -3.692 -2.079 1.00 3.03 H new ATOM 0 HD1 PHE A 42 -5.830 -0.958 -2.165 1.00 33.40 H new ATOM 0 HD2 PHE A 42 -6.657 -3.355 1.264 1.00 21.53 H new ATOM 0 HE1 PHE A 42 -4.307 0.427 -0.829 1.00 61.50 H new ATOM 0 HE2 PHE A 42 -5.133 -1.968 2.601 1.00 0.40 H new ATOM 0 HZ PHE A 42 -3.954 -0.074 1.556 1.00 62.40 H new ATOM 689 N LYS A 43 -10.559 -3.232 -2.663 1.00 44.20 N ATOM 690 CA LYS A 43 -11.536 -4.060 -3.384 1.00 23.10 C ATOM 691 C LYS A 43 -12.272 -3.257 -4.469 1.00 54.31 C ATOM 692 O LYS A 43 -12.098 -3.512 -5.660 1.00 73.20 O ATOM 693 CB LYS A 43 -12.541 -4.684 -2.399 1.00 51.22 C ATOM 694 CG LYS A 43 -12.076 -6.005 -1.786 1.00 63.02 C ATOM 695 CD LYS A 43 -11.969 -7.102 -2.847 1.00 60.24 C ATOM 696 CE LYS A 43 -11.576 -8.449 -2.249 1.00 11.41 C ATOM 697 NZ LYS A 43 -11.591 -9.535 -3.266 1.00 63.10 N ATOM 0 H LYS A 43 -10.966 -2.636 -1.942 1.00 44.20 H new ATOM 0 HA LYS A 43 -10.988 -4.859 -3.883 1.00 23.10 H new ATOM 0 HB2 LYS A 43 -12.737 -3.972 -1.597 1.00 51.22 H new ATOM 0 HB3 LYS A 43 -13.486 -4.849 -2.916 1.00 51.22 H new ATOM 0 HG2 LYS A 43 -11.108 -5.865 -1.306 1.00 63.02 H new ATOM 0 HG3 LYS A 43 -12.775 -6.314 -1.009 1.00 63.02 H new ATOM 0 HD2 LYS A 43 -12.924 -7.201 -3.362 1.00 60.24 H new ATOM 0 HD3 LYS A 43 -11.232 -6.810 -3.595 1.00 60.24 H new ATOM 0 HE2 LYS A 43 -10.580 -8.375 -1.812 1.00 11.41 H new ATOM 0 HE3 LYS A 43 -12.261 -8.700 -1.440 1.00 11.41 H new ATOM 0 HZ1 LYS A 43 -11.318 -10.433 -2.819 1.00 63.10 H new ATOM 0 HZ2 LYS A 43 -12.547 -9.623 -3.665 1.00 63.10 H new ATOM 0 HZ3 LYS A 43 -10.918 -9.308 -4.026 1.00 63.10 H new ATOM 711 N LYS A 44 -13.103 -2.300 -4.057 1.00 35.23 N ATOM 712 CA LYS A 44 -13.835 -1.461 -5.017 1.00 4.10 C ATOM 713 C LYS A 44 -12.911 -0.416 -5.667 1.00 30.04 C ATOM 714 O LYS A 44 -12.165 0.282 -4.982 1.00 24.22 O ATOM 715 CB LYS A 44 -15.032 -0.777 -4.338 1.00 64.14 C ATOM 716 CG LYS A 44 -14.657 0.151 -3.186 1.00 73.20 C ATOM 717 CD LYS A 44 -15.897 0.768 -2.547 1.00 43.44 C ATOM 718 CE LYS A 44 -15.548 1.704 -1.398 1.00 24.05 C ATOM 719 NZ LYS A 44 -16.767 2.198 -0.705 1.00 73.40 N ATOM 0 H LYS A 44 -13.288 -2.085 -3.077 1.00 35.23 H new ATOM 0 HA LYS A 44 -14.210 -2.111 -5.807 1.00 4.10 H new ATOM 0 HB2 LYS A 44 -15.580 -0.204 -5.086 1.00 64.14 H new ATOM 0 HB3 LYS A 44 -15.710 -1.545 -3.964 1.00 64.14 H new ATOM 0 HG2 LYS A 44 -14.097 -0.406 -2.435 1.00 73.20 H new ATOM 0 HG3 LYS A 44 -14.002 0.942 -3.551 1.00 73.20 H new ATOM 0 HD2 LYS A 44 -16.458 1.317 -3.303 1.00 43.44 H new ATOM 0 HD3 LYS A 44 -16.548 -0.026 -2.181 1.00 43.44 H new ATOM 0 HE2 LYS A 44 -14.909 1.183 -0.685 1.00 24.05 H new ATOM 0 HE3 LYS A 44 -14.977 2.551 -1.778 1.00 24.05 H new ATOM 0 HZ1 LYS A 44 -16.494 2.692 0.169 1.00 73.40 H new ATOM 0 HZ2 LYS A 44 -17.279 2.855 -1.328 1.00 73.40 H new ATOM 0 HZ3 LYS A 44 -17.383 1.393 -0.470 1.00 73.40 H new ATOM 733 N ASP A 45 -12.977 -0.330 -6.995 1.00 14.53 N ATOM 734 CA ASP A 45 -12.129 0.579 -7.778 1.00 64.43 C ATOM 735 C ASP A 45 -10.627 0.321 -7.512 1.00 73.25 C ATOM 736 O ASP A 45 -9.938 1.151 -6.912 1.00 44.14 O ATOM 737 CB ASP A 45 -12.492 2.044 -7.482 1.00 23.21 C ATOM 738 CG ASP A 45 -12.027 2.993 -8.575 1.00 11.05 C ATOM 739 OD1 ASP A 45 -10.805 3.191 -8.734 1.00 13.23 O ATOM 740 OD2 ASP A 45 -12.886 3.539 -9.299 1.00 21.33 O ATOM 0 H ASP A 45 -13.618 -0.886 -7.561 1.00 14.53 H new ATOM 0 HA ASP A 45 -12.315 0.382 -8.834 1.00 64.43 H new ATOM 0 HB2 ASP A 45 -13.572 2.131 -7.366 1.00 23.21 H new ATOM 0 HB3 ASP A 45 -12.045 2.341 -6.533 1.00 23.21 H new ATOM 745 N PRO A 46 -10.101 -0.850 -7.934 1.00 31.40 N ATOM 746 CA PRO A 46 -8.678 -1.186 -7.761 1.00 42.24 C ATOM 747 C PRO A 46 -7.756 -0.310 -8.626 1.00 33.21 C ATOM 748 O PRO A 46 -7.321 -0.715 -9.712 1.00 2.40 O ATOM 749 CB PRO A 46 -8.591 -2.668 -8.185 1.00 34.21 C ATOM 750 CG PRO A 46 -10.007 -3.147 -8.237 1.00 23.30 C ATOM 751 CD PRO A 46 -10.836 -1.944 -8.585 1.00 44.02 C ATOM 0 HA PRO A 46 -8.345 -1.012 -6.738 1.00 42.24 H new ATOM 0 HB2 PRO A 46 -8.105 -2.772 -9.155 1.00 34.21 H new ATOM 0 HB3 PRO A 46 -8.006 -3.248 -7.471 1.00 34.21 H new ATOM 0 HG2 PRO A 46 -10.126 -3.933 -8.983 1.00 23.30 H new ATOM 0 HG3 PRO A 46 -10.312 -3.568 -7.279 1.00 23.30 H new ATOM 0 HD2 PRO A 46 -10.908 -1.799 -9.663 1.00 44.02 H new ATOM 0 HD3 PRO A 46 -11.854 -2.030 -8.206 1.00 44.02 H new ATOM 759 N SER A 47 -7.491 0.905 -8.154 1.00 13.42 N ATOM 760 CA SER A 47 -6.598 1.840 -8.854 1.00 63.20 C ATOM 761 C SER A 47 -5.583 2.473 -7.896 1.00 41.42 C ATOM 762 O SER A 47 -5.906 2.786 -6.748 1.00 25.24 O ATOM 763 CB SER A 47 -7.402 2.956 -9.538 1.00 51.55 C ATOM 764 OG SER A 47 -6.544 3.980 -10.031 1.00 34.32 O ATOM 0 H SER A 47 -7.881 1.272 -7.286 1.00 13.42 H new ATOM 0 HA SER A 47 -6.061 1.262 -9.606 1.00 63.20 H new ATOM 0 HB2 SER A 47 -7.983 2.538 -10.360 1.00 51.55 H new ATOM 0 HB3 SER A 47 -8.112 3.383 -8.830 1.00 51.55 H new ATOM 0 HG SER A 47 -7.081 4.677 -10.463 1.00 34.32 H new ATOM 770 N ILE A 48 -4.353 2.652 -8.374 1.00 55.34 N ATOM 771 CA ILE A 48 -3.312 3.339 -7.601 1.00 63.33 C ATOM 772 C ILE A 48 -3.779 4.742 -7.168 1.00 11.11 C ATOM 773 O ILE A 48 -3.530 5.172 -6.047 1.00 65.12 O ATOM 774 CB ILE A 48 -1.999 3.469 -8.420 1.00 41.20 C ATOM 775 CG1 ILE A 48 -1.458 2.081 -8.808 1.00 55.31 C ATOM 776 CG2 ILE A 48 -0.943 4.259 -7.642 1.00 24.25 C ATOM 777 CD1 ILE A 48 -1.080 1.212 -7.625 1.00 1.34 C ATOM 0 H ILE A 48 -4.050 2.332 -9.294 1.00 55.34 H new ATOM 0 HA ILE A 48 -3.120 2.735 -6.714 1.00 63.33 H new ATOM 0 HB ILE A 48 -2.227 4.017 -9.334 1.00 41.20 H new ATOM 0 HG12 ILE A 48 -2.211 1.562 -9.401 1.00 55.31 H new ATOM 0 HG13 ILE A 48 -0.583 2.209 -9.446 1.00 55.31 H new ATOM 0 HG21 ILE A 48 -0.034 4.335 -8.238 1.00 24.25 H new ATOM 0 HG22 ILE A 48 -1.321 5.258 -7.427 1.00 24.25 H new ATOM 0 HG23 ILE A 48 -0.721 3.746 -6.706 1.00 24.25 H new ATOM 0 HD11 ILE A 48 -0.708 0.252 -7.983 1.00 1.34 H new ATOM 0 HD12 ILE A 48 -0.303 1.708 -7.043 1.00 1.34 H new ATOM 0 HD13 ILE A 48 -1.956 1.051 -6.997 1.00 1.34 H new ATOM 789 N LYS A 49 -4.480 5.439 -8.058 1.00 71.21 N ATOM 790 CA LYS A 49 -4.941 6.805 -7.785 1.00 65.22 C ATOM 791 C LYS A 49 -6.034 6.831 -6.701 1.00 32.21 C ATOM 792 O LYS A 49 -5.946 7.592 -5.734 1.00 42.31 O ATOM 793 CB LYS A 49 -5.436 7.447 -9.095 1.00 22.12 C ATOM 794 CG LYS A 49 -5.903 8.905 -8.977 1.00 41.34 C ATOM 795 CD LYS A 49 -7.381 9.025 -8.588 1.00 33.31 C ATOM 796 CE LYS A 49 -8.294 8.362 -9.616 1.00 73.33 C ATOM 797 NZ LYS A 49 -9.732 8.531 -9.275 1.00 62.13 N ATOM 0 H LYS A 49 -4.744 5.083 -8.977 1.00 71.21 H new ATOM 0 HA LYS A 49 -4.104 7.386 -7.397 1.00 65.22 H new ATOM 0 HB2 LYS A 49 -4.633 7.399 -9.830 1.00 22.12 H new ATOM 0 HB3 LYS A 49 -6.260 6.849 -9.484 1.00 22.12 H new ATOM 0 HG2 LYS A 49 -5.293 9.418 -8.233 1.00 41.34 H new ATOM 0 HG3 LYS A 49 -5.740 9.412 -9.928 1.00 41.34 H new ATOM 0 HD2 LYS A 49 -7.538 8.565 -7.612 1.00 33.31 H new ATOM 0 HD3 LYS A 49 -7.647 10.078 -8.491 1.00 33.31 H new ATOM 0 HE2 LYS A 49 -8.102 8.789 -10.600 1.00 73.33 H new ATOM 0 HE3 LYS A 49 -8.059 7.300 -9.678 1.00 73.33 H new ATOM 0 HZ1 LYS A 49 -10.317 8.066 -9.998 1.00 62.13 H new ATOM 0 HZ2 LYS A 49 -9.922 8.101 -8.347 1.00 62.13 H new ATOM 0 HZ3 LYS A 49 -9.964 9.544 -9.241 1.00 62.13 H new ATOM 811 N SER A 50 -7.062 5.998 -6.869 1.00 50.25 N ATOM 812 CA SER A 50 -8.193 5.949 -5.927 1.00 44.21 C ATOM 813 C SER A 50 -7.744 5.527 -4.522 1.00 31.23 C ATOM 814 O SER A 50 -8.097 6.167 -3.525 1.00 21.53 O ATOM 815 CB SER A 50 -9.269 4.978 -6.435 1.00 41.01 C ATOM 816 OG SER A 50 -8.740 3.672 -6.606 1.00 11.21 O ATOM 0 H SER A 50 -7.139 5.345 -7.649 1.00 50.25 H new ATOM 0 HA SER A 50 -8.607 6.955 -5.864 1.00 44.21 H new ATOM 0 HB2 SER A 50 -10.099 4.948 -5.729 1.00 41.01 H new ATOM 0 HB3 SER A 50 -9.670 5.338 -7.382 1.00 41.01 H new ATOM 0 HG SER A 50 -9.475 3.028 -6.678 1.00 11.21 H new ATOM 822 N SER A 51 -6.966 4.449 -4.456 1.00 54.33 N ATOM 823 CA SER A 51 -6.440 3.935 -3.184 1.00 31.02 C ATOM 824 C SER A 51 -5.590 4.982 -2.450 1.00 51.02 C ATOM 825 O SER A 51 -5.864 5.304 -1.294 1.00 22.33 O ATOM 826 CB SER A 51 -5.610 2.668 -3.426 1.00 13.25 C ATOM 827 OG SER A 51 -4.532 2.923 -4.310 1.00 44.25 O ATOM 0 H SER A 51 -6.682 3.908 -5.273 1.00 54.33 H new ATOM 0 HA SER A 51 -7.295 3.696 -2.551 1.00 31.02 H new ATOM 0 HB2 SER A 51 -5.225 2.295 -2.477 1.00 13.25 H new ATOM 0 HB3 SER A 51 -6.247 1.887 -3.841 1.00 13.25 H new ATOM 0 HG SER A 51 -4.857 2.908 -5.235 1.00 44.25 H new ATOM 833 N LEU A 52 -4.565 5.517 -3.121 1.00 51.14 N ATOM 834 CA LEU A 52 -3.710 6.561 -2.527 1.00 73.53 C ATOM 835 C LEU A 52 -4.539 7.710 -1.941 1.00 23.33 C ATOM 836 O LEU A 52 -4.317 8.134 -0.807 1.00 63.41 O ATOM 837 CB LEU A 52 -2.731 7.129 -3.568 1.00 21.51 C ATOM 838 CG LEU A 52 -1.612 6.181 -4.022 1.00 61.21 C ATOM 839 CD1 LEU A 52 -0.751 6.851 -5.087 1.00 53.42 C ATOM 840 CD2 LEU A 52 -0.760 5.741 -2.833 1.00 14.21 C ATOM 0 H LEU A 52 -4.305 5.249 -4.070 1.00 51.14 H new ATOM 0 HA LEU A 52 -3.151 6.086 -1.721 1.00 73.53 H new ATOM 0 HB2 LEU A 52 -3.301 7.434 -4.446 1.00 21.51 H new ATOM 0 HB3 LEU A 52 -2.274 8.029 -3.156 1.00 21.51 H new ATOM 0 HG LEU A 52 -2.068 5.291 -4.457 1.00 61.21 H new ATOM 0 HD11 LEU A 52 0.038 6.167 -5.400 1.00 53.42 H new ATOM 0 HD12 LEU A 52 -1.370 7.108 -5.947 1.00 53.42 H new ATOM 0 HD13 LEU A 52 -0.305 7.757 -4.677 1.00 53.42 H new ATOM 0 HD21 LEU A 52 0.027 5.070 -3.178 1.00 14.21 H new ATOM 0 HD22 LEU A 52 -0.311 6.616 -2.364 1.00 14.21 H new ATOM 0 HD23 LEU A 52 -1.387 5.223 -2.108 1.00 14.21 H new ATOM 852 N LYS A 53 -5.497 8.202 -2.721 1.00 61.23 N ATOM 853 CA LYS A 53 -6.351 9.318 -2.301 1.00 64.11 C ATOM 854 C LYS A 53 -7.110 8.987 -0.999 1.00 20.22 C ATOM 855 O LYS A 53 -7.350 9.862 -0.162 1.00 74.42 O ATOM 856 CB LYS A 53 -7.320 9.671 -3.437 1.00 10.53 C ATOM 857 CG LYS A 53 -8.119 10.954 -3.210 1.00 0.15 C ATOM 858 CD LYS A 53 -8.797 11.424 -4.497 1.00 54.01 C ATOM 859 CE LYS A 53 -9.589 12.708 -4.294 1.00 12.10 C ATOM 860 NZ LYS A 53 -10.748 12.508 -3.390 1.00 31.51 N ATOM 0 H LYS A 53 -5.705 7.845 -3.654 1.00 61.23 H new ATOM 0 HA LYS A 53 -5.723 10.183 -2.089 1.00 64.11 H new ATOM 0 HB2 LYS A 53 -6.754 9.769 -4.363 1.00 10.53 H new ATOM 0 HB3 LYS A 53 -8.016 8.844 -3.575 1.00 10.53 H new ATOM 0 HG2 LYS A 53 -8.873 10.784 -2.441 1.00 0.15 H new ATOM 0 HG3 LYS A 53 -7.457 11.736 -2.839 1.00 0.15 H new ATOM 0 HD2 LYS A 53 -8.042 11.583 -5.266 1.00 54.01 H new ATOM 0 HD3 LYS A 53 -9.463 10.642 -4.861 1.00 54.01 H new ATOM 0 HE2 LYS A 53 -8.935 13.476 -3.881 1.00 12.10 H new ATOM 0 HE3 LYS A 53 -9.940 13.074 -5.259 1.00 12.10 H new ATOM 0 HZ1 LYS A 53 -11.336 13.366 -3.385 1.00 31.51 H new ATOM 0 HZ2 LYS A 53 -11.314 11.702 -3.724 1.00 31.51 H new ATOM 0 HZ3 LYS A 53 -10.407 12.316 -2.426 1.00 31.51 H new ATOM 874 N PHE A 54 -7.470 7.715 -0.831 1.00 22.33 N ATOM 875 CA PHE A 54 -8.097 7.238 0.409 1.00 2.23 C ATOM 876 C PHE A 54 -7.061 7.114 1.540 1.00 62.32 C ATOM 877 O PHE A 54 -7.320 7.491 2.684 1.00 24.11 O ATOM 878 CB PHE A 54 -8.781 5.881 0.168 1.00 71.31 C ATOM 879 CG PHE A 54 -9.406 5.278 1.407 1.00 21.42 C ATOM 880 CD1 PHE A 54 -10.702 5.610 1.780 1.00 21.32 C ATOM 881 CD2 PHE A 54 -8.695 4.386 2.201 1.00 54.54 C ATOM 882 CE1 PHE A 54 -11.274 5.063 2.915 1.00 74.42 C ATOM 883 CE2 PHE A 54 -9.263 3.840 3.336 1.00 54.15 C ATOM 884 CZ PHE A 54 -10.553 4.178 3.693 1.00 14.35 C ATOM 0 H PHE A 54 -7.339 6.992 -1.538 1.00 22.33 H new ATOM 0 HA PHE A 54 -8.847 7.968 0.713 1.00 2.23 H new ATOM 0 HB2 PHE A 54 -9.552 6.005 -0.592 1.00 71.31 H new ATOM 0 HB3 PHE A 54 -8.047 5.182 -0.233 1.00 71.31 H new ATOM 0 HD1 PHE A 54 -11.270 6.303 1.177 1.00 21.32 H new ATOM 0 HD2 PHE A 54 -7.686 4.116 1.927 1.00 54.54 H new ATOM 0 HE1 PHE A 54 -12.284 5.328 3.192 1.00 74.42 H new ATOM 0 HE2 PHE A 54 -8.698 3.149 3.944 1.00 54.15 H new ATOM 0 HZ PHE A 54 -10.998 3.751 4.580 1.00 14.35 H new ATOM 894 N LEU A 55 -5.887 6.582 1.208 1.00 23.40 N ATOM 895 CA LEU A 55 -4.822 6.354 2.193 1.00 72.12 C ATOM 896 C LEU A 55 -4.308 7.668 2.805 1.00 44.25 C ATOM 897 O LEU A 55 -4.022 7.731 3.998 1.00 1.14 O ATOM 898 CB LEU A 55 -3.654 5.592 1.545 1.00 43.43 C ATOM 899 CG LEU A 55 -3.995 4.187 1.018 1.00 40.24 C ATOM 900 CD1 LEU A 55 -2.782 3.552 0.345 1.00 41.42 C ATOM 901 CD2 LEU A 55 -4.522 3.298 2.145 1.00 32.33 C ATOM 0 H LEU A 55 -5.644 6.298 0.259 1.00 23.40 H new ATOM 0 HA LEU A 55 -5.250 5.757 2.999 1.00 72.12 H new ATOM 0 HB2 LEU A 55 -3.268 6.188 0.718 1.00 43.43 H new ATOM 0 HB3 LEU A 55 -2.851 5.502 2.276 1.00 43.43 H new ATOM 0 HG LEU A 55 -4.782 4.286 0.270 1.00 40.24 H new ATOM 0 HD11 LEU A 55 -3.046 2.559 -0.020 1.00 41.42 H new ATOM 0 HD12 LEU A 55 -2.464 4.173 -0.492 1.00 41.42 H new ATOM 0 HD13 LEU A 55 -1.968 3.469 1.065 1.00 41.42 H new ATOM 0 HD21 LEU A 55 -4.757 2.310 1.749 1.00 32.33 H new ATOM 0 HD22 LEU A 55 -3.763 3.207 2.922 1.00 32.33 H new ATOM 0 HD23 LEU A 55 -5.423 3.743 2.568 1.00 32.33 H new ATOM 913 N ARG A 56 -4.199 8.716 1.987 1.00 61.11 N ATOM 914 CA ARG A 56 -3.666 10.004 2.451 1.00 31.52 C ATOM 915 C ARG A 56 -4.570 10.657 3.510 1.00 71.23 C ATOM 916 O ARG A 56 -4.081 11.276 4.454 1.00 31.31 O ATOM 917 CB ARG A 56 -3.456 10.969 1.278 1.00 62.53 C ATOM 918 CG ARG A 56 -2.505 10.439 0.206 1.00 3.30 C ATOM 919 CD ARG A 56 -2.108 11.518 -0.801 1.00 51.11 C ATOM 920 NE ARG A 56 -1.170 12.486 -0.232 1.00 11.33 N ATOM 921 CZ ARG A 56 -0.962 13.682 -0.712 1.00 13.04 C ATOM 922 NH1 ARG A 56 -1.694 14.154 -1.674 1.00 70.22 N ATOM 923 NH2 ARG A 56 -0.034 14.426 -0.206 1.00 10.42 N ATOM 0 H ARG A 56 -4.470 8.702 1.004 1.00 61.11 H new ATOM 0 HA ARG A 56 -2.702 9.794 2.915 1.00 31.52 H new ATOM 0 HB2 ARG A 56 -4.421 11.185 0.820 1.00 62.53 H new ATOM 0 HB3 ARG A 56 -3.067 11.913 1.661 1.00 62.53 H new ATOM 0 HG2 ARG A 56 -1.609 10.042 0.683 1.00 3.30 H new ATOM 0 HG3 ARG A 56 -2.979 9.611 -0.320 1.00 3.30 H new ATOM 0 HD2 ARG A 56 -1.657 11.049 -1.675 1.00 51.11 H new ATOM 0 HD3 ARG A 56 -3.002 12.039 -1.144 1.00 51.11 H new ATOM 0 HE ARG A 56 -0.643 12.208 0.596 1.00 11.33 H new ATOM 0 HH11 ARG A 56 -2.446 13.588 -2.067 1.00 70.22 H new ATOM 0 HH12 ARG A 56 -1.517 15.091 -2.037 1.00 70.22 H new ATOM 0 HH21 ARG A 56 0.534 14.078 0.567 1.00 10.42 H new ATOM 0 HH22 ARG A 56 0.130 15.361 -0.579 1.00 10.42 H new ATOM 937 N LYS A 57 -5.885 10.524 3.355 1.00 13.23 N ATOM 938 CA LYS A 57 -6.826 11.095 4.329 1.00 64.50 C ATOM 939 C LYS A 57 -6.962 10.206 5.579 1.00 31.12 C ATOM 940 O LYS A 57 -7.439 10.656 6.622 1.00 72.54 O ATOM 941 CB LYS A 57 -8.213 11.301 3.701 1.00 2.21 C ATOM 942 CG LYS A 57 -8.919 10.001 3.323 1.00 51.22 C ATOM 943 CD LYS A 57 -10.407 10.209 3.055 1.00 41.32 C ATOM 944 CE LYS A 57 -11.121 8.883 2.803 1.00 43.45 C ATOM 945 NZ LYS A 57 -12.600 9.036 2.784 1.00 25.12 N ATOM 0 H LYS A 57 -6.324 10.033 2.576 1.00 13.23 H new ATOM 0 HA LYS A 57 -6.419 12.060 4.630 1.00 64.50 H new ATOM 0 HB2 LYS A 57 -8.840 11.853 4.401 1.00 2.21 H new ATOM 0 HB3 LYS A 57 -8.109 11.919 2.809 1.00 2.21 H new ATOM 0 HG2 LYS A 57 -8.448 9.578 2.436 1.00 51.22 H new ATOM 0 HG3 LYS A 57 -8.794 9.275 4.127 1.00 51.22 H new ATOM 0 HD2 LYS A 57 -10.864 10.713 3.906 1.00 41.32 H new ATOM 0 HD3 LYS A 57 -10.534 10.862 2.192 1.00 41.32 H new ATOM 0 HE2 LYS A 57 -10.788 8.468 1.852 1.00 43.45 H new ATOM 0 HE3 LYS A 57 -10.841 8.169 3.577 1.00 43.45 H new ATOM 0 HZ1 LYS A 57 -13.042 8.111 2.610 1.00 25.12 H new ATOM 0 HZ2 LYS A 57 -12.922 9.407 3.700 1.00 25.12 H new ATOM 0 HZ3 LYS A 57 -12.871 9.697 2.028 1.00 25.12 H new ATOM 959 N THR A 58 -6.544 8.942 5.468 1.00 44.11 N ATOM 960 CA THR A 58 -6.706 7.970 6.559 1.00 44.12 C ATOM 961 C THR A 58 -5.387 7.747 7.320 1.00 62.20 C ATOM 962 O THR A 58 -4.519 6.982 6.889 1.00 52.13 O ATOM 963 CB THR A 58 -7.238 6.613 6.036 1.00 71.02 C ATOM 964 OG1 THR A 58 -8.421 6.819 5.246 1.00 51.13 O ATOM 965 CG2 THR A 58 -7.562 5.668 7.189 1.00 72.05 C ATOM 0 H THR A 58 -6.091 8.566 4.635 1.00 44.11 H new ATOM 0 HA THR A 58 -7.439 8.393 7.247 1.00 44.12 H new ATOM 0 HB THR A 58 -6.458 6.162 5.423 1.00 71.02 H new ATOM 0 HG1 THR A 58 -8.166 7.061 4.331 1.00 51.13 H new ATOM 0 HG21 THR A 58 -7.933 4.723 6.792 1.00 72.05 H new ATOM 0 HG22 THR A 58 -6.661 5.486 7.775 1.00 72.05 H new ATOM 0 HG23 THR A 58 -8.324 6.118 7.826 1.00 72.05 H new ATOM 973 N ASP A 59 -5.260 8.419 8.464 1.00 72.21 N ATOM 974 CA ASP A 59 -4.029 8.415 9.272 1.00 24.44 C ATOM 975 C ASP A 59 -3.511 6.997 9.589 1.00 41.24 C ATOM 976 O ASP A 59 -2.342 6.683 9.346 1.00 4.41 O ATOM 977 CB ASP A 59 -4.279 9.182 10.575 1.00 43.21 C ATOM 978 CG ASP A 59 -4.645 10.634 10.324 1.00 62.32 C ATOM 979 OD1 ASP A 59 -5.822 10.914 10.005 1.00 33.42 O ATOM 980 OD2 ASP A 59 -3.755 11.504 10.429 1.00 43.32 O ATOM 0 H ASP A 59 -6.008 8.986 8.863 1.00 72.21 H new ATOM 0 HA ASP A 59 -3.254 8.901 8.680 1.00 24.44 H new ATOM 0 HB2 ASP A 59 -5.081 8.698 11.132 1.00 43.21 H new ATOM 0 HB3 ASP A 59 -3.386 9.137 11.199 1.00 43.21 H new ATOM 985 N TRP A 60 -4.377 6.148 10.136 1.00 34.03 N ATOM 986 CA TRP A 60 -3.972 4.794 10.555 1.00 65.21 C ATOM 987 C TRP A 60 -3.677 3.867 9.360 1.00 35.13 C ATOM 988 O TRP A 60 -2.985 2.859 9.506 1.00 72.33 O ATOM 989 CB TRP A 60 -5.035 4.167 11.472 1.00 3.05 C ATOM 990 CG TRP A 60 -6.401 4.060 10.860 1.00 72.34 C ATOM 991 CD1 TRP A 60 -7.318 5.061 10.721 1.00 13.51 C ATOM 992 CD2 TRP A 60 -7.013 2.878 10.328 1.00 64.25 C ATOM 993 NE1 TRP A 60 -8.456 4.577 10.127 1.00 74.31 N ATOM 994 CE2 TRP A 60 -8.292 3.243 9.872 1.00 31.31 C ATOM 995 CE3 TRP A 60 -6.597 1.551 10.184 1.00 24.11 C ATOM 996 CZ2 TRP A 60 -9.164 2.326 9.291 1.00 41.04 C ATOM 997 CZ3 TRP A 60 -7.461 0.642 9.605 1.00 1.04 C ATOM 998 CH2 TRP A 60 -8.733 1.034 9.163 1.00 22.12 C ATOM 0 H TRP A 60 -5.360 6.365 10.302 1.00 34.03 H new ATOM 0 HA TRP A 60 -3.041 4.903 11.112 1.00 65.21 H new ATOM 0 HB2 TRP A 60 -4.703 3.171 11.764 1.00 3.05 H new ATOM 0 HB3 TRP A 60 -5.105 4.760 12.384 1.00 3.05 H new ATOM 0 HD1 TRP A 60 -7.170 6.084 11.033 1.00 13.51 H new ATOM 0 HE1 TRP A 60 -9.290 5.123 9.910 1.00 74.31 H new ATOM 0 HE3 TRP A 60 -5.618 1.242 10.519 1.00 24.11 H new ATOM 0 HZ2 TRP A 60 -10.146 2.624 8.953 1.00 41.04 H new ATOM 0 HZ3 TRP A 60 -7.152 -0.387 9.491 1.00 1.04 H new ATOM 0 HH2 TRP A 60 -9.386 0.301 8.712 1.00 22.12 H new ATOM 1009 N ALA A 61 -4.196 4.207 8.181 1.00 53.22 N ATOM 1010 CA ALA A 61 -3.943 3.412 6.974 1.00 20.14 C ATOM 1011 C ALA A 61 -2.513 3.621 6.456 1.00 20.35 C ATOM 1012 O ALA A 61 -1.838 2.666 6.071 1.00 4.44 O ATOM 1013 CB ALA A 61 -4.952 3.749 5.882 1.00 43.11 C ATOM 0 H ALA A 61 -4.791 5.022 8.033 1.00 53.22 H new ATOM 0 HA ALA A 61 -4.056 2.362 7.244 1.00 20.14 H new ATOM 0 HB1 ALA A 61 -4.745 3.148 4.997 1.00 43.11 H new ATOM 0 HB2 ALA A 61 -5.959 3.535 6.239 1.00 43.11 H new ATOM 0 HB3 ALA A 61 -4.874 4.806 5.629 1.00 43.11 H new ATOM 1019 N ARG A 62 -2.065 4.879 6.463 1.00 30.31 N ATOM 1020 CA ARG A 62 -0.705 5.242 6.025 1.00 14.40 C ATOM 1021 C ARG A 62 0.368 4.310 6.614 1.00 11.34 C ATOM 1022 O ARG A 62 1.043 3.585 5.882 1.00 53.44 O ATOM 1023 CB ARG A 62 -0.404 6.699 6.428 1.00 5.24 C ATOM 1024 CG ARG A 62 -1.047 7.742 5.519 1.00 53.34 C ATOM 1025 CD ARG A 62 -0.247 7.935 4.236 1.00 21.23 C ATOM 1026 NE ARG A 62 1.033 8.602 4.490 1.00 73.14 N ATOM 1027 CZ ARG A 62 2.187 8.212 4.016 1.00 23.00 C ATOM 1028 NH1 ARG A 62 2.286 7.140 3.302 1.00 45.41 N ATOM 1029 NH2 ARG A 62 3.251 8.895 4.272 1.00 72.41 N ATOM 0 H ARG A 62 -2.627 5.673 6.769 1.00 30.31 H new ATOM 0 HA ARG A 62 -0.671 5.135 4.941 1.00 14.40 H new ATOM 0 HB2 ARG A 62 -0.749 6.861 7.449 1.00 5.24 H new ATOM 0 HB3 ARG A 62 0.676 6.849 6.428 1.00 5.24 H new ATOM 0 HG2 ARG A 62 -2.063 7.434 5.272 1.00 53.34 H new ATOM 0 HG3 ARG A 62 -1.121 8.692 6.049 1.00 53.34 H new ATOM 0 HD2 ARG A 62 -0.066 6.966 3.771 1.00 21.23 H new ATOM 0 HD3 ARG A 62 -0.830 8.524 3.529 1.00 21.23 H new ATOM 0 HE ARG A 62 1.023 9.433 5.081 1.00 73.14 H new ATOM 0 HH11 ARG A 62 1.456 6.583 3.100 1.00 45.41 H new ATOM 0 HH12 ARG A 62 3.195 6.850 2.940 1.00 45.41 H new ATOM 0 HH21 ARG A 62 3.191 9.738 4.843 1.00 72.41 H new ATOM 0 HH22 ARG A 62 4.152 8.592 3.903 1.00 72.41 H new ATOM 1043 N GLU A 63 0.501 4.325 7.939 1.00 65.13 N ATOM 1044 CA GLU A 63 1.525 3.536 8.630 1.00 53.11 C ATOM 1045 C GLU A 63 1.420 2.032 8.329 1.00 24.35 C ATOM 1046 O GLU A 63 2.439 1.348 8.203 1.00 42.23 O ATOM 1047 CB GLU A 63 1.440 3.779 10.143 1.00 21.51 C ATOM 1048 CG GLU A 63 1.827 5.194 10.555 1.00 41.43 C ATOM 1049 CD GLU A 63 1.838 5.383 12.062 1.00 40.44 C ATOM 1050 OE1 GLU A 63 2.608 4.674 12.748 1.00 54.21 O ATOM 1051 OE2 GLU A 63 1.084 6.243 12.568 1.00 12.23 O ATOM 0 H GLU A 63 -0.090 4.877 8.560 1.00 65.13 H new ATOM 0 HA GLU A 63 2.493 3.868 8.255 1.00 53.11 H new ATOM 0 HB2 GLU A 63 0.423 3.577 10.479 1.00 21.51 H new ATOM 0 HB3 GLU A 63 2.091 3.070 10.654 1.00 21.51 H new ATOM 0 HG2 GLU A 63 2.814 5.427 10.156 1.00 41.43 H new ATOM 0 HG3 GLU A 63 1.128 5.902 10.109 1.00 41.43 H new ATOM 1058 N ARG A 64 0.196 1.521 8.211 1.00 1.25 N ATOM 1059 CA ARG A 64 -0.013 0.100 7.912 1.00 2.43 C ATOM 1060 C ARG A 64 0.487 -0.260 6.503 1.00 4.21 C ATOM 1061 O ARG A 64 1.189 -1.255 6.325 1.00 10.11 O ATOM 1062 CB ARG A 64 -1.495 -0.275 8.062 1.00 44.32 C ATOM 1063 CG ARG A 64 -2.009 -0.189 9.498 1.00 1.32 C ATOM 1064 CD ARG A 64 -3.445 -0.692 9.618 1.00 11.11 C ATOM 1065 NE ARG A 64 -3.941 -0.618 10.994 1.00 43.53 N ATOM 1066 CZ ARG A 64 -4.365 -1.646 11.686 1.00 62.32 C ATOM 1067 NH1 ARG A 64 -4.313 -2.843 11.195 1.00 13.03 N ATOM 1068 NH2 ARG A 64 -4.822 -1.465 12.882 1.00 53.54 N ATOM 0 H ARG A 64 -0.662 2.062 8.316 1.00 1.25 H new ATOM 0 HA ARG A 64 0.570 -0.474 8.632 1.00 2.43 H new ATOM 0 HB2 ARG A 64 -2.093 0.384 7.432 1.00 44.32 H new ATOM 0 HB3 ARG A 64 -1.643 -1.290 7.693 1.00 44.32 H new ATOM 0 HG2 ARG A 64 -1.363 -0.776 10.151 1.00 1.32 H new ATOM 0 HG3 ARG A 64 -1.956 0.844 9.842 1.00 1.32 H new ATOM 0 HD2 ARG A 64 -4.091 -0.102 8.968 1.00 11.11 H new ATOM 0 HD3 ARG A 64 -3.498 -1.723 9.269 1.00 11.11 H new ATOM 0 HE ARG A 64 -3.957 0.297 11.444 1.00 43.53 H new ATOM 0 HH11 ARG A 64 -3.938 -2.994 10.258 1.00 13.03 H new ATOM 0 HH12 ARG A 64 -4.647 -3.635 11.745 1.00 13.03 H new ATOM 0 HH21 ARG A 64 -4.851 -0.526 13.280 1.00 53.54 H new ATOM 0 HH22 ARG A 64 -5.154 -2.261 13.427 1.00 53.54 H new ATOM 1082 N VAL A 65 0.128 0.554 5.509 1.00 43.54 N ATOM 1083 CA VAL A 65 0.597 0.342 4.131 1.00 60.22 C ATOM 1084 C VAL A 65 2.133 0.405 4.054 1.00 12.14 C ATOM 1085 O VAL A 65 2.775 -0.430 3.410 1.00 71.33 O ATOM 1086 CB VAL A 65 -0.015 1.387 3.160 1.00 51.24 C ATOM 1087 CG1 VAL A 65 0.511 1.193 1.737 1.00 51.04 C ATOM 1088 CG2 VAL A 65 -1.541 1.315 3.191 1.00 31.04 C ATOM 0 H VAL A 65 -0.482 1.363 5.627 1.00 43.54 H new ATOM 0 HA VAL A 65 0.267 -0.652 3.829 1.00 60.22 H new ATOM 0 HB VAL A 65 0.290 2.379 3.493 1.00 51.24 H new ATOM 0 HG11 VAL A 65 0.065 1.939 1.079 1.00 51.04 H new ATOM 0 HG12 VAL A 65 1.595 1.306 1.731 1.00 51.04 H new ATOM 0 HG13 VAL A 65 0.248 0.195 1.385 1.00 51.04 H new ATOM 0 HG21 VAL A 65 -1.954 2.054 2.505 1.00 31.04 H new ATOM 0 HG22 VAL A 65 -1.864 0.319 2.889 1.00 31.04 H new ATOM 0 HG23 VAL A 65 -1.894 1.521 4.201 1.00 31.04 H new ATOM 1098 N GLU A 66 2.716 1.392 4.734 1.00 35.00 N ATOM 1099 CA GLU A 66 4.174 1.533 4.796 1.00 3.25 C ATOM 1100 C GLU A 66 4.823 0.309 5.468 1.00 21.34 C ATOM 1101 O GLU A 66 5.915 -0.117 5.083 1.00 74.34 O ATOM 1102 CB GLU A 66 4.548 2.820 5.550 1.00 14.14 C ATOM 1103 CG GLU A 66 3.983 4.087 4.912 1.00 22.13 C ATOM 1104 CD GLU A 66 4.394 5.353 5.646 1.00 50.54 C ATOM 1105 OE1 GLU A 66 3.734 5.717 6.642 1.00 74.50 O ATOM 1106 OE2 GLU A 66 5.380 5.997 5.227 1.00 71.55 O ATOM 0 H GLU A 66 2.203 2.107 5.250 1.00 35.00 H new ATOM 0 HA GLU A 66 4.554 1.595 3.776 1.00 3.25 H new ATOM 0 HB2 GLU A 66 4.188 2.748 6.576 1.00 14.14 H new ATOM 0 HB3 GLU A 66 5.634 2.901 5.598 1.00 14.14 H new ATOM 0 HG2 GLU A 66 4.320 4.148 3.877 1.00 22.13 H new ATOM 0 HG3 GLU A 66 2.895 4.023 4.890 1.00 22.13 H new ATOM 1113 N ASN A 67 4.142 -0.259 6.467 1.00 25.40 N ATOM 1114 CA ASN A 67 4.620 -1.479 7.130 1.00 11.42 C ATOM 1115 C ASN A 67 4.640 -2.663 6.149 1.00 52.50 C ATOM 1116 O ASN A 67 5.561 -3.483 6.159 1.00 3.33 O ATOM 1117 CB ASN A 67 3.741 -1.817 8.342 1.00 71.01 C ATOM 1118 CG ASN A 67 4.300 -2.971 9.158 1.00 31.41 C ATOM 1119 OD1 ASN A 67 5.507 -3.167 9.228 1.00 41.13 O ATOM 1120 ND2 ASN A 67 3.431 -3.742 9.779 1.00 52.42 N ATOM 0 H ASN A 67 3.262 0.103 6.834 1.00 25.40 H new ATOM 0 HA ASN A 67 5.638 -1.296 7.475 1.00 11.42 H new ATOM 0 HB2 ASN A 67 3.649 -0.937 8.978 1.00 71.01 H new ATOM 0 HB3 ASN A 67 2.737 -2.070 8.000 1.00 71.01 H new ATOM 0 HD21 ASN A 67 3.757 -4.530 10.339 1.00 52.42 H new ATOM 0 HD22 ASN A 67 2.432 -3.551 9.700 1.00 52.42 H new ATOM 1127 N ILE A 68 3.617 -2.746 5.295 1.00 2.14 N ATOM 1128 CA ILE A 68 3.567 -3.778 4.252 1.00 63.22 C ATOM 1129 C ILE A 68 4.783 -3.661 3.313 1.00 2.03 C ATOM 1130 O ILE A 68 5.295 -4.662 2.802 1.00 44.24 O ATOM 1131 CB ILE A 68 2.266 -3.687 3.414 1.00 35.54 C ATOM 1132 CG1 ILE A 68 1.026 -3.723 4.326 1.00 1.14 C ATOM 1133 CG2 ILE A 68 2.202 -4.820 2.383 1.00 45.22 C ATOM 1134 CD1 ILE A 68 -0.282 -3.516 3.586 1.00 31.55 C ATOM 0 H ILE A 68 2.815 -2.115 5.303 1.00 2.14 H new ATOM 0 HA ILE A 68 3.585 -4.743 4.758 1.00 63.22 H new ATOM 0 HB ILE A 68 2.275 -2.736 2.881 1.00 35.54 H new ATOM 0 HG12 ILE A 68 0.993 -4.683 4.842 1.00 1.14 H new ATOM 0 HG13 ILE A 68 1.126 -2.953 5.091 1.00 1.14 H new ATOM 0 HG21 ILE A 68 1.281 -4.736 1.807 1.00 45.22 H new ATOM 0 HG22 ILE A 68 3.058 -4.750 1.712 1.00 45.22 H new ATOM 0 HG23 ILE A 68 2.222 -5.781 2.897 1.00 45.22 H new ATOM 0 HD11 ILE A 68 -1.110 -3.554 4.294 1.00 31.55 H new ATOM 0 HD12 ILE A 68 -0.271 -2.544 3.092 1.00 31.55 H new ATOM 0 HD13 ILE A 68 -0.406 -4.301 2.840 1.00 31.55 H new ATOM 1146 N TYR A 69 5.239 -2.428 3.087 1.00 62.44 N ATOM 1147 CA TYR A 69 6.449 -2.201 2.291 1.00 72.33 C ATOM 1148 C TYR A 69 7.700 -2.689 3.039 1.00 21.32 C ATOM 1149 O TYR A 69 8.617 -3.244 2.437 1.00 55.21 O ATOM 1150 CB TYR A 69 6.594 -0.722 1.920 1.00 72.13 C ATOM 1151 CG TYR A 69 7.685 -0.478 0.894 1.00 75.12 C ATOM 1152 CD1 TYR A 69 7.490 -0.828 -0.437 1.00 21.22 C ATOM 1153 CD2 TYR A 69 8.908 0.085 1.253 1.00 0.11 C ATOM 1154 CE1 TYR A 69 8.479 -0.633 -1.377 1.00 73.31 C ATOM 1155 CE2 TYR A 69 9.900 0.290 0.310 1.00 71.20 C ATOM 1156 CZ TYR A 69 9.679 -0.072 -1.002 1.00 44.41 C ATOM 1157 OH TYR A 69 10.668 0.113 -1.944 1.00 62.43 O ATOM 0 H TYR A 69 4.796 -1.579 3.439 1.00 62.44 H new ATOM 0 HA TYR A 69 6.352 -2.777 1.371 1.00 72.33 H new ATOM 0 HB2 TYR A 69 5.645 -0.355 1.529 1.00 72.13 H new ATOM 0 HB3 TYR A 69 6.812 -0.146 2.819 1.00 72.13 H new ATOM 0 HD1 TYR A 69 6.548 -1.260 -0.740 1.00 21.22 H new ATOM 0 HD2 TYR A 69 9.084 0.365 2.281 1.00 0.11 H new ATOM 0 HE1 TYR A 69 8.313 -0.920 -2.405 1.00 73.31 H new ATOM 0 HE2 TYR A 69 10.842 0.731 0.600 1.00 71.20 H new ATOM 0 HH TYR A 69 10.259 0.262 -2.822 1.00 62.43 H new ATOM 1167 N LEU A 70 7.730 -2.483 4.357 1.00 52.23 N ATOM 1168 CA LEU A 70 8.807 -3.021 5.198 1.00 74.12 C ATOM 1169 C LEU A 70 8.845 -4.554 5.094 1.00 42.14 C ATOM 1170 O LEU A 70 9.913 -5.167 5.031 1.00 62.43 O ATOM 1171 CB LEU A 70 8.610 -2.583 6.655 1.00 52.53 C ATOM 1172 CG LEU A 70 8.602 -1.060 6.880 1.00 12.30 C ATOM 1173 CD1 LEU A 70 8.373 -0.727 8.351 1.00 13.11 C ATOM 1174 CD2 LEU A 70 9.904 -0.431 6.381 1.00 33.54 C ATOM 0 H LEU A 70 7.025 -1.950 4.866 1.00 52.23 H new ATOM 0 HA LEU A 70 9.760 -2.627 4.846 1.00 74.12 H new ATOM 0 HB2 LEU A 70 7.668 -2.994 7.018 1.00 52.53 H new ATOM 0 HB3 LEU A 70 9.403 -3.021 7.261 1.00 52.53 H new ATOM 0 HG LEU A 70 7.777 -0.640 6.305 1.00 12.30 H new ATOM 0 HD11 LEU A 70 8.372 0.355 8.483 1.00 13.11 H new ATOM 0 HD12 LEU A 70 7.413 -1.133 8.671 1.00 13.11 H new ATOM 0 HD13 LEU A 70 9.170 -1.165 8.952 1.00 13.11 H new ATOM 0 HD21 LEU A 70 9.876 0.645 6.550 1.00 33.54 H new ATOM 0 HD22 LEU A 70 10.747 -0.862 6.922 1.00 33.54 H new ATOM 0 HD23 LEU A 70 10.018 -0.628 5.315 1.00 33.54 H new ATOM 1186 N LYS A 71 7.656 -5.159 5.058 1.00 75.23 N ATOM 1187 CA LYS A 71 7.515 -6.586 4.759 1.00 11.01 C ATOM 1188 C LYS A 71 8.180 -6.926 3.411 1.00 40.44 C ATOM 1189 O LYS A 71 8.880 -7.928 3.287 1.00 23.31 O ATOM 1190 CB LYS A 71 6.028 -6.966 4.724 1.00 22.22 C ATOM 1191 CG LYS A 71 5.757 -8.388 4.235 1.00 64.41 C ATOM 1192 CD LYS A 71 4.263 -8.657 4.066 1.00 3.04 C ATOM 1193 CE LYS A 71 3.515 -8.542 5.389 1.00 51.04 C ATOM 1194 NZ LYS A 71 4.015 -9.512 6.399 1.00 70.32 N ATOM 0 H LYS A 71 6.773 -4.680 5.233 1.00 75.23 H new ATOM 0 HA LYS A 71 8.013 -7.158 5.542 1.00 11.01 H new ATOM 0 HB2 LYS A 71 5.612 -6.852 5.725 1.00 22.22 H new ATOM 0 HB3 LYS A 71 5.500 -6.265 4.078 1.00 22.22 H new ATOM 0 HG2 LYS A 71 6.265 -8.548 3.284 1.00 64.41 H new ATOM 0 HG3 LYS A 71 6.177 -9.102 4.944 1.00 64.41 H new ATOM 0 HD2 LYS A 71 3.845 -7.950 3.349 1.00 3.04 H new ATOM 0 HD3 LYS A 71 4.118 -9.655 3.652 1.00 3.04 H new ATOM 0 HE2 LYS A 71 3.619 -7.529 5.777 1.00 51.04 H new ATOM 0 HE3 LYS A 71 2.452 -8.711 5.220 1.00 51.04 H new ATOM 0 HZ1 LYS A 71 3.358 -9.545 7.204 1.00 70.32 H new ATOM 0 HZ2 LYS A 71 4.083 -10.457 5.969 1.00 70.32 H new ATOM 0 HZ3 LYS A 71 4.954 -9.214 6.731 1.00 70.32 H new ATOM 1208 N LEU A 72 7.960 -6.071 2.414 1.00 31.13 N ATOM 1209 CA LEU A 72 8.554 -6.259 1.087 1.00 4.20 C ATOM 1210 C LEU A 72 10.086 -6.093 1.117 1.00 32.54 C ATOM 1211 O LEU A 72 10.801 -6.769 0.380 1.00 15.43 O ATOM 1212 CB LEU A 72 7.927 -5.282 0.078 1.00 30.24 C ATOM 1213 CG LEU A 72 8.392 -5.450 -1.381 1.00 60.54 C ATOM 1214 CD1 LEU A 72 8.077 -6.854 -1.895 1.00 40.33 C ATOM 1215 CD2 LEU A 72 7.758 -4.389 -2.278 1.00 14.11 C ATOM 0 H LEU A 72 7.375 -5.240 2.498 1.00 31.13 H new ATOM 0 HA LEU A 72 8.342 -7.281 0.772 1.00 4.20 H new ATOM 0 HB2 LEU A 72 6.844 -5.397 0.112 1.00 30.24 H new ATOM 0 HB3 LEU A 72 8.149 -4.264 0.397 1.00 30.24 H new ATOM 0 HG LEU A 72 9.473 -5.315 -1.408 1.00 60.54 H new ATOM 0 HD11 LEU A 72 8.415 -6.948 -2.927 1.00 40.33 H new ATOM 0 HD12 LEU A 72 8.589 -7.591 -1.277 1.00 40.33 H new ATOM 0 HD13 LEU A 72 7.002 -7.026 -1.848 1.00 40.33 H new ATOM 0 HD21 LEU A 72 8.101 -4.527 -3.303 1.00 14.11 H new ATOM 0 HD22 LEU A 72 6.673 -4.484 -2.242 1.00 14.11 H new ATOM 0 HD23 LEU A 72 8.047 -3.398 -1.929 1.00 14.11 H new ATOM 1227 N GLN A 73 10.589 -5.208 1.981 1.00 23.32 N ATOM 1228 CA GLN A 73 12.042 -5.008 2.133 1.00 50.44 C ATOM 1229 C GLN A 73 12.733 -6.297 2.613 1.00 70.32 C ATOM 1230 O GLN A 73 13.828 -6.639 2.168 1.00 52.30 O ATOM 1231 CB GLN A 73 12.327 -3.854 3.111 1.00 54.24 C ATOM 1232 CG GLN A 73 11.762 -2.507 2.664 1.00 11.22 C ATOM 1233 CD GLN A 73 12.323 -2.046 1.329 1.00 43.44 C ATOM 1234 OE1 GLN A 73 13.329 -1.351 1.270 1.00 65.13 O ATOM 1235 NE2 GLN A 73 11.681 -2.436 0.244 1.00 23.40 N ATOM 0 H GLN A 73 10.018 -4.618 2.586 1.00 23.32 H new ATOM 0 HA GLN A 73 12.449 -4.749 1.155 1.00 50.44 H new ATOM 0 HB2 GLN A 73 11.910 -4.106 4.086 1.00 54.24 H new ATOM 0 HB3 GLN A 73 13.405 -3.759 3.241 1.00 54.24 H new ATOM 0 HG2 GLN A 73 10.677 -2.580 2.591 1.00 11.22 H new ATOM 0 HG3 GLN A 73 11.981 -1.756 3.423 1.00 11.22 H new ATOM 0 HE21 GLN A 73 10.845 -3.015 0.326 1.00 23.40 H new ATOM 0 HE22 GLN A 73 12.021 -2.159 -0.677 1.00 23.40 H new