USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 89 THR OG1 : rot -62:sc= -1.62 USER MOD Set 1.2: A 94 SER OG : rot -132:sc= 2.1! USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 SER OG : rot -130:sc= 0.443 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.869 F(o=-2.1!,f=-0.87) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 25 ASN : amide:sc= -1.87! C(o=-1.9!,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.221) USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.916 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 97 THR OG1 : rot 43:sc= 1.23 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -6.82! C(o=-6.8!,f=-9.5!) USER MOD Single : A 121 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.368 F(o=-2.2!,f=-0.37) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 3 23.986 8.362 -4.408 0.50 0.00 N ATOM 45 CA GLU A 3 23.793 8.772 -2.987 0.50 0.00 C ATOM 46 C GLU A 3 23.141 7.634 -2.188 0.50 0.00 C ATOM 47 O GLU A 3 22.390 6.850 -2.732 0.50 0.00 O ATOM 48 CB GLU A 3 22.862 9.984 -3.050 0.50 0.00 C ATOM 49 CG GLU A 3 23.688 11.253 -3.270 0.50 0.00 C ATOM 50 CD GLU A 3 24.324 11.214 -4.660 0.50 0.00 C ATOM 51 OE1 GLU A 3 23.585 11.097 -5.624 0.50 0.00 O ATOM 52 OE2 GLU A 3 25.538 11.302 -4.738 0.50 0.00 O ATOM 0 HA GLU A 3 24.736 9.005 -2.493 0.50 0.00 H new ATOM 0 HB2 GLU A 3 22.142 9.861 -3.859 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.291 10.065 -2.125 0.50 0.00 H new ATOM 0 HG2 GLU A 3 23.053 12.134 -3.174 0.50 0.00 H new ATOM 0 HG3 GLU A 3 24.462 11.333 -2.507 0.50 0.00 H new ATOM 59 N PRO A 4 23.448 7.585 -0.915 0.50 0.00 N ATOM 60 CA PRO A 4 22.879 6.536 -0.028 0.50 0.00 C ATOM 61 C PRO A 4 21.354 6.669 0.066 0.50 0.00 C ATOM 62 O PRO A 4 20.838 7.746 0.290 0.50 0.00 O ATOM 63 CB PRO A 4 23.551 6.805 1.319 0.50 0.00 C ATOM 64 CG PRO A 4 23.949 8.240 1.254 0.50 0.00 C ATOM 65 CD PRO A 4 24.336 8.486 -0.177 0.50 0.00 C ATOM 0 HA PRO A 4 23.059 5.524 -0.389 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.868 6.619 2.148 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.416 6.159 1.468 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.127 8.889 1.555 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.781 8.447 1.927 0.50 0.00 H new ATOM 0 HD2 PRO A 4 24.184 9.527 -0.463 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.386 8.255 -0.357 0.50 0.00 H new ATOM 73 N PRO A 5 20.683 5.560 -0.121 0.50 0.00 N ATOM 74 CA PRO A 5 19.199 5.543 -0.069 0.50 0.00 C ATOM 75 C PRO A 5 18.701 5.751 1.362 0.50 0.00 C ATOM 76 O PRO A 5 19.341 5.355 2.317 0.50 0.00 O ATOM 77 CB PRO A 5 18.845 4.141 -0.558 0.50 0.00 C ATOM 78 CG PRO A 5 20.050 3.318 -0.250 0.50 0.00 C ATOM 79 CD PRO A 5 21.234 4.226 -0.397 0.50 0.00 C ATOM 0 HA PRO A 5 18.745 6.335 -0.665 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.961 3.755 -0.049 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.625 4.138 -1.626 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.995 2.913 0.760 0.50 0.00 H new ATOM 0 HG3 PRO A 5 20.125 2.470 -0.930 0.50 0.00 H new ATOM 0 HD2 PRO A 5 22.027 3.967 0.304 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.662 4.168 -1.398 0.50 0.00 H new ATOM 87 N LYS A 6 17.557 6.362 1.514 0.50 0.00 N ATOM 88 CA LYS A 6 17.003 6.588 2.880 0.50 0.00 C ATOM 89 C LYS A 6 15.564 7.105 2.788 0.50 0.00 C ATOM 90 O LYS A 6 15.207 7.823 1.876 0.50 0.00 O ATOM 91 CB LYS A 6 17.918 7.633 3.527 0.50 0.00 C ATOM 92 CG LYS A 6 17.938 8.908 2.682 0.50 0.00 C ATOM 93 CD LYS A 6 18.451 10.074 3.530 0.50 0.00 C ATOM 94 CE LYS A 6 19.980 10.038 3.577 0.50 0.00 C ATOM 95 NZ LYS A 6 20.420 10.923 2.463 0.50 0.00 N ATOM 0 H LYS A 6 16.981 6.715 0.750 0.50 0.00 H new ATOM 0 HA LYS A 6 16.972 5.669 3.466 0.50 0.00 H new ATOM 0 HB2 LYS A 6 17.569 7.860 4.534 0.50 0.00 H new ATOM 0 HB3 LYS A 6 18.928 7.234 3.622 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.578 8.769 1.810 0.50 0.00 H new ATOM 0 HG3 LYS A 6 16.937 9.127 2.311 0.50 0.00 H new ATOM 0 HD2 LYS A 6 18.112 11.020 3.109 0.50 0.00 H new ATOM 0 HD3 LYS A 6 18.044 10.010 4.539 0.50 0.00 H new ATOM 0 HE2 LYS A 6 20.354 10.395 4.536 0.50 0.00 H new ATOM 0 HE3 LYS A 6 20.355 9.023 3.447 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 21.459 10.950 2.431 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 20.055 10.554 1.562 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 20.054 11.884 2.618 0.50 0.00 H new ATOM 109 N ILE A 7 14.739 6.739 3.730 0.50 0.00 N ATOM 110 CA ILE A 7 13.316 7.197 3.717 0.50 0.00 C ATOM 111 C ILE A 7 13.221 8.651 4.201 0.50 0.00 C ATOM 112 O ILE A 7 12.414 8.981 5.046 0.50 0.00 O ATOM 113 CB ILE A 7 12.597 6.257 4.695 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.897 4.794 4.339 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.089 6.491 4.625 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.641 4.554 2.848 0.50 0.00 C ATOM 0 H ILE A 7 14.989 6.138 4.515 0.50 0.00 H new ATOM 0 HA ILE A 7 12.878 7.168 2.719 0.50 0.00 H new ATOM 0 HB ILE A 7 12.954 6.464 5.704 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.933 4.557 4.581 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.271 4.130 4.935 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.584 5.821 5.321 0.50 0.00 H new ATOM 0 HG22 ILE A 7 10.868 7.525 4.891 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.737 6.294 3.612 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.856 3.514 2.605 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.598 4.772 2.618 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.286 5.206 2.259 0.50 0.00 H new ATOM 128 N HIS A 8 14.051 9.515 3.679 0.50 0.00 N ATOM 129 CA HIS A 8 14.030 10.943 4.110 0.50 0.00 C ATOM 130 C HIS A 8 13.901 11.867 2.880 0.50 0.00 C ATOM 131 O HIS A 8 14.230 11.485 1.774 0.50 0.00 O ATOM 132 CB HIS A 8 15.379 11.110 4.830 0.50 0.00 C ATOM 133 CG HIS A 8 15.787 12.554 4.898 0.50 0.00 C ATOM 134 ND1 HIS A 8 16.097 13.461 3.922 0.50 0.00 N flip ATOM 135 CD2 HIS A 8 15.956 13.219 6.102 0.50 0.00 C flip ATOM 136 CE1 HIS A 8 16.456 14.673 4.503 0.50 0.00 C flip ATOM 137 NE2 HIS A 8 16.354 14.471 5.820 0.50 0.00 N flip ATOM 0 H HIS A 8 14.747 9.291 2.968 0.50 0.00 H new ATOM 0 HA HIS A 8 13.189 11.203 4.753 0.50 0.00 H new ATOM 0 HB2 HIS A 8 15.308 10.702 5.838 0.50 0.00 H new ATOM 0 HB3 HIS A 8 16.146 10.538 4.308 0.50 0.00 H new ATOM 0 HD2 HIS A 8 15.797 12.806 7.087 0.50 0.00 H new ATOM 0 HE1 HIS A 8 16.753 15.581 3.999 0.50 0.00 H new ATOM 0 HE2 HIS A 8 16.554 15.181 6.525 0.50 0.00 H new ATOM 232 N ILE A 15 9.000 10.518 5.312 0.50 0.00 N ATOM 233 CA ILE A 15 8.067 9.875 4.348 0.50 0.00 C ATOM 234 C ILE A 15 6.867 9.276 5.094 0.50 0.00 C ATOM 235 O ILE A 15 6.865 8.110 5.437 0.50 0.00 O ATOM 236 CB ILE A 15 8.908 8.797 3.655 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.652 9.430 2.478 0.50 0.00 C ATOM 238 CG2 ILE A 15 8.016 7.666 3.136 0.50 0.00 C ATOM 239 CD1 ILE A 15 10.607 8.407 1.864 0.50 0.00 C ATOM 0 HA ILE A 15 7.650 10.576 3.625 0.50 0.00 H new ATOM 0 HB ILE A 15 9.614 8.382 4.374 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.940 9.774 1.728 0.50 0.00 H new ATOM 0 HG13 ILE A 15 10.208 10.305 2.815 0.50 0.00 H new ATOM 0 HG21 ILE A 15 8.632 6.911 2.648 0.50 0.00 H new ATOM 0 HG22 ILE A 15 7.481 7.213 3.970 0.50 0.00 H new ATOM 0 HG23 ILE A 15 7.299 8.068 2.420 0.50 0.00 H new ATOM 0 HD11 ILE A 15 11.136 8.860 1.026 0.50 0.00 H new ATOM 0 HD12 ILE A 15 11.327 8.085 2.616 0.50 0.00 H new ATOM 0 HD13 ILE A 15 10.040 7.545 1.512 0.50 0.00 H new ATOM 251 N PRO A 16 5.873 10.097 5.313 0.50 0.00 N ATOM 252 CA PRO A 16 4.655 9.632 6.007 0.50 0.00 C ATOM 253 C PRO A 16 3.802 8.821 5.031 0.50 0.00 C ATOM 254 O PRO A 16 2.694 9.195 4.701 0.50 0.00 O ATOM 255 CB PRO A 16 3.950 10.926 6.404 0.50 0.00 C ATOM 256 CG PRO A 16 4.431 11.952 5.427 0.50 0.00 C ATOM 257 CD PRO A 16 5.794 11.517 4.945 0.50 0.00 C ATOM 0 HA PRO A 16 4.853 8.991 6.866 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.867 10.815 6.356 0.50 0.00 H new ATOM 0 HB3 PRO A 16 4.196 11.211 7.427 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.738 12.039 4.590 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.486 12.933 5.898 0.50 0.00 H new ATOM 0 HD2 PRO A 16 5.898 11.655 3.869 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.587 12.096 5.419 0.50 0.00 H new ATOM 265 N ASP A 17 4.325 7.721 4.550 0.50 0.00 N ATOM 266 CA ASP A 17 3.561 6.888 3.576 0.50 0.00 C ATOM 267 C ASP A 17 2.245 6.398 4.197 0.50 0.00 C ATOM 268 O ASP A 17 2.130 5.276 4.643 0.50 0.00 O ATOM 269 CB ASP A 17 4.491 5.714 3.237 0.50 0.00 C ATOM 270 CG ASP A 17 4.758 4.872 4.486 0.50 0.00 C ATOM 271 OD1 ASP A 17 4.789 5.438 5.567 0.50 0.00 O ATOM 272 OD2 ASP A 17 4.929 3.672 4.340 0.50 0.00 O ATOM 0 H ASP A 17 5.250 7.365 4.791 0.50 0.00 H new ATOM 0 HA ASP A 17 3.283 7.449 2.683 0.50 0.00 H new ATOM 0 HB2 ASP A 17 4.039 5.095 2.462 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.432 6.090 2.836 0.50 0.00 H new ATOM 277 N THR A 18 1.249 7.240 4.212 0.50 0.00 N ATOM 278 CA THR A 18 -0.072 6.847 4.786 0.50 0.00 C ATOM 279 C THR A 18 -1.183 7.399 3.895 0.50 0.00 C ATOM 280 O THR A 18 -1.100 8.511 3.411 0.50 0.00 O ATOM 281 CB THR A 18 -0.116 7.496 6.171 0.50 0.00 C ATOM 282 OG1 THR A 18 1.077 7.180 6.877 0.50 0.00 O ATOM 283 CG2 THR A 18 -1.324 6.972 6.949 0.50 0.00 C ATOM 0 H THR A 18 1.293 8.192 3.848 0.50 0.00 H new ATOM 0 HA THR A 18 -0.204 5.767 4.851 0.50 0.00 H new ATOM 0 HB THR A 18 -0.201 8.577 6.062 0.50 0.00 H new ATOM 0 HG1 THR A 18 1.052 7.596 7.764 0.50 0.00 H new ATOM 0 HG21 THR A 18 -1.351 7.437 7.935 0.50 0.00 H new ATOM 0 HG22 THR A 18 -2.238 7.215 6.408 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.244 5.891 7.060 0.50 0.00 H new ATOM 291 N ILE A 19 -2.209 6.632 3.650 0.50 0.00 N ATOM 292 CA ILE A 19 -3.297 7.131 2.766 0.50 0.00 C ATOM 293 C ILE A 19 -4.672 6.631 3.227 0.50 0.00 C ATOM 294 O ILE A 19 -4.804 5.558 3.778 0.50 0.00 O ATOM 295 CB ILE A 19 -2.939 6.574 1.384 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.654 7.391 0.313 0.50 0.00 C ATOM 297 CG2 ILE A 19 -3.359 5.105 1.277 0.50 0.00 C ATOM 298 CD1 ILE A 19 -3.126 8.827 0.334 0.50 0.00 C ATOM 0 H ILE A 19 -2.340 5.691 4.020 0.50 0.00 H new ATOM 0 HA ILE A 19 -3.370 8.219 2.774 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.860 6.640 1.241 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -3.491 6.946 -0.669 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.729 7.384 0.492 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -3.098 4.723 0.290 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -2.842 4.522 2.040 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -4.436 5.023 1.425 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.636 9.413 -0.431 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.311 9.269 1.313 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -2.054 8.824 0.135 0.50 0.00 H new ATOM 310 N VAL A 20 -5.696 7.408 2.990 0.50 0.00 N ATOM 311 CA VAL A 20 -7.068 6.996 3.393 0.50 0.00 C ATOM 312 C VAL A 20 -8.034 7.231 2.228 0.50 0.00 C ATOM 313 O VAL A 20 -7.763 8.011 1.336 0.50 0.00 O ATOM 314 CB VAL A 20 -7.415 7.900 4.576 0.50 0.00 C ATOM 315 CG1 VAL A 20 -8.841 7.610 5.040 0.50 0.00 C ATOM 316 CG2 VAL A 20 -6.442 7.632 5.725 0.50 0.00 C ATOM 0 H VAL A 20 -5.638 8.317 2.531 0.50 0.00 H new ATOM 0 HA VAL A 20 -7.134 5.941 3.659 0.50 0.00 H new ATOM 0 HB VAL A 20 -7.338 8.943 4.269 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -9.087 8.255 5.883 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -9.536 7.801 4.222 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.919 6.567 5.346 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -6.689 8.276 6.569 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -6.519 6.589 6.031 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -5.424 7.840 5.396 0.50 0.00 H new ATOM 326 N VAL A 21 -9.155 6.562 2.225 0.50 0.00 N ATOM 327 CA VAL A 21 -10.132 6.748 1.112 0.50 0.00 C ATOM 328 C VAL A 21 -11.556 6.492 1.610 0.50 0.00 C ATOM 329 O VAL A 21 -11.762 5.844 2.617 0.50 0.00 O ATOM 330 CB VAL A 21 -9.727 5.717 0.058 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.754 4.314 0.671 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.702 5.778 -1.120 0.50 0.00 C ATOM 0 H VAL A 21 -9.437 5.895 2.944 0.50 0.00 H new ATOM 0 HA VAL A 21 -10.120 7.762 0.711 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.719 5.938 -0.293 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.465 3.582 -0.083 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -9.056 4.269 1.507 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.760 4.091 1.026 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.412 5.043 -1.871 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.711 5.560 -0.769 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.678 6.775 -1.561 0.50 0.00 H new ATOM 342 N VAL A 22 -12.541 6.997 0.915 0.50 0.00 N ATOM 343 CA VAL A 22 -13.952 6.783 1.355 0.50 0.00 C ATOM 344 C VAL A 22 -14.533 5.523 0.704 0.50 0.00 C ATOM 345 O VAL A 22 -15.587 5.550 0.102 0.50 0.00 O ATOM 346 CB VAL A 22 -14.717 8.031 0.909 0.50 0.00 C ATOM 347 CG1 VAL A 22 -14.131 9.262 1.603 0.50 0.00 C ATOM 348 CG2 VAL A 22 -14.599 8.199 -0.609 0.50 0.00 C ATOM 0 H VAL A 22 -12.430 7.547 0.063 0.50 0.00 H new ATOM 0 HA VAL A 22 -14.022 6.637 2.433 0.50 0.00 H new ATOM 0 HB VAL A 22 -15.768 7.923 1.178 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -14.675 10.152 1.286 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -14.220 9.148 2.683 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -13.080 9.365 1.335 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -15.146 9.089 -0.920 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -13.549 8.304 -0.883 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -15.018 7.324 -1.106 0.50 0.00 H new ATOM 358 N ALA A 23 -13.854 4.417 0.852 0.50 0.00 N ATOM 359 CA ALA A 23 -14.343 3.124 0.277 0.50 0.00 C ATOM 360 C ALA A 23 -14.833 3.273 -1.171 0.50 0.00 C ATOM 361 O ALA A 23 -15.949 3.682 -1.421 0.50 0.00 O ATOM 362 CB ALA A 23 -15.500 2.711 1.186 0.50 0.00 C ATOM 0 H ALA A 23 -12.968 4.351 1.354 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.542 2.386 0.238 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.920 1.768 0.835 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -15.136 2.589 2.206 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -16.271 3.481 1.166 0.50 0.00 H new ATOM 368 N GLY A 24 -14.015 2.905 -2.124 0.50 0.00 N ATOM 369 CA GLY A 24 -14.439 2.982 -3.555 0.50 0.00 C ATOM 370 C GLY A 24 -14.288 4.404 -4.100 0.50 0.00 C ATOM 371 O GLY A 24 -15.213 4.960 -4.660 0.50 0.00 O ATOM 0 H GLY A 24 -13.069 2.554 -1.972 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.840 2.295 -4.152 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -15.477 2.662 -3.647 0.50 0.00 H new ATOM 375 N ASN A 25 -13.131 4.995 -3.966 0.50 0.00 N ATOM 376 CA ASN A 25 -12.935 6.373 -4.505 0.50 0.00 C ATOM 377 C ASN A 25 -11.551 6.501 -5.141 0.50 0.00 C ATOM 378 O ASN A 25 -10.674 5.692 -4.913 0.50 0.00 O ATOM 379 CB ASN A 25 -13.062 7.307 -3.300 0.50 0.00 C ATOM 380 CG ASN A 25 -14.198 8.303 -3.544 0.50 0.00 C ATOM 381 OD1 ASN A 25 -14.033 9.491 -3.350 0.50 0.00 O ATOM 382 ND2 ASN A 25 -15.354 7.865 -3.964 0.50 0.00 N ATOM 0 H ASN A 25 -12.316 4.586 -3.509 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.664 6.615 -5.278 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -13.259 6.729 -2.397 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.125 7.840 -3.139 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -16.118 8.520 -4.129 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -15.493 6.868 -4.127 0.50 0.00 H new ATOM 389 N LYS A 26 -11.349 7.522 -5.929 0.50 0.00 N ATOM 390 CA LYS A 26 -10.018 7.718 -6.574 0.50 0.00 C ATOM 391 C LYS A 26 -9.024 8.245 -5.540 0.50 0.00 C ATOM 392 O LYS A 26 -9.096 9.386 -5.128 0.50 0.00 O ATOM 393 CB LYS A 26 -10.251 8.758 -7.670 0.50 0.00 C ATOM 394 CG LYS A 26 -11.167 8.174 -8.748 0.50 0.00 C ATOM 395 CD LYS A 26 -11.793 9.311 -9.559 0.50 0.00 C ATOM 396 CE LYS A 26 -13.206 8.914 -9.993 0.50 0.00 C ATOM 397 NZ LYS A 26 -13.009 7.822 -10.987 0.50 0.00 N ATOM 0 H LYS A 26 -12.048 8.230 -6.154 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.610 6.792 -6.980 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -10.700 9.655 -7.244 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.299 9.056 -8.110 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.599 7.515 -9.405 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.948 7.569 -8.288 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -11.828 10.222 -8.961 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -11.180 9.527 -10.434 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -13.799 8.573 -9.144 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -13.736 9.758 -10.434 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -13.892 7.670 -11.515 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -12.251 8.087 -11.648 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -12.746 6.946 -10.492 0.50 0.00 H new ATOM 411 N LEU A 27 -8.108 7.423 -5.102 0.50 0.00 N ATOM 412 CA LEU A 27 -7.131 7.887 -4.079 0.50 0.00 C ATOM 413 C LEU A 27 -5.714 7.963 -4.662 0.50 0.00 C ATOM 414 O LEU A 27 -5.313 7.142 -5.464 0.50 0.00 O ATOM 415 CB LEU A 27 -7.216 6.837 -2.961 0.50 0.00 C ATOM 416 CG LEU A 27 -5.966 6.892 -2.075 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.795 8.302 -1.505 0.50 0.00 C ATOM 418 CD2 LEU A 27 -6.115 5.892 -0.925 0.50 0.00 C ATOM 0 H LEU A 27 -7.995 6.456 -5.407 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.356 8.891 -3.719 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -8.105 7.013 -2.356 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.317 5.842 -3.395 0.50 0.00 H new ATOM 0 HG LEU A 27 -5.090 6.638 -2.672 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.905 8.335 -0.876 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.688 9.015 -2.323 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -6.670 8.562 -0.909 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -5.227 5.929 -0.293 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.993 6.148 -0.332 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.231 4.887 -1.330 0.50 0.00 H new ATOM 430 N ARG A 28 -4.957 8.943 -4.245 0.50 0.00 N ATOM 431 CA ARG A 28 -3.559 9.088 -4.746 0.50 0.00 C ATOM 432 C ARG A 28 -2.623 9.391 -3.571 0.50 0.00 C ATOM 433 O ARG A 28 -3.015 10.018 -2.605 0.50 0.00 O ATOM 434 CB ARG A 28 -3.598 10.262 -5.730 0.50 0.00 C ATOM 435 CG ARG A 28 -4.102 11.522 -5.019 0.50 0.00 C ATOM 436 CD ARG A 28 -4.432 12.596 -6.059 0.50 0.00 C ATOM 437 NE ARG A 28 -3.113 13.160 -6.463 0.50 0.00 N ATOM 438 CZ ARG A 28 -3.058 14.294 -7.107 0.50 0.00 C ATOM 439 NH1 ARG A 28 -3.684 14.429 -8.246 0.50 0.00 N ATOM 440 NH2 ARG A 28 -2.379 15.293 -6.615 0.50 0.00 N ATOM 0 H ARG A 28 -5.249 9.654 -3.574 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.191 8.182 -5.227 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -2.603 10.438 -6.139 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -4.250 10.022 -6.570 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -4.987 11.289 -4.427 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -3.344 11.890 -4.328 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -4.957 12.170 -6.914 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -5.079 13.366 -5.639 0.50 0.00 H new ATOM 0 HE ARG A 28 -2.253 12.660 -6.236 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -4.215 13.648 -8.632 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -3.641 15.315 -8.750 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -1.890 15.189 -5.726 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -2.337 16.179 -7.119 0.50 0.00 H new ATOM 454 N LEU A 29 -1.394 8.947 -3.634 0.50 0.00 N ATOM 455 CA LEU A 29 -0.450 9.208 -2.506 0.50 0.00 C ATOM 456 C LEU A 29 0.953 9.509 -3.039 0.50 0.00 C ATOM 457 O LEU A 29 1.374 8.964 -4.039 0.50 0.00 O ATOM 458 CB LEU A 29 -0.454 7.910 -1.696 0.50 0.00 C ATOM 459 CG LEU A 29 0.512 8.021 -0.513 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.093 9.178 0.401 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.495 6.710 0.280 0.50 0.00 C ATOM 0 H LEU A 29 -1.005 8.417 -4.414 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.744 10.070 -1.907 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.461 7.702 -1.334 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.165 7.074 -2.333 0.50 0.00 H new ATOM 0 HG LEU A 29 1.518 8.211 -0.888 0.50 0.00 H new ATOM 0 HD11 LEU A 29 0.786 9.249 1.239 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.109 10.111 -0.163 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.914 8.998 0.777 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.182 6.786 1.123 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.513 6.521 0.649 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.804 5.889 -0.367 0.50 0.00 H new ATOM 473 N ASP A 30 1.676 10.377 -2.379 0.50 0.00 N ATOM 474 CA ASP A 30 3.052 10.718 -2.848 0.50 0.00 C ATOM 475 C ASP A 30 4.045 10.667 -1.680 0.50 0.00 C ATOM 476 O ASP A 30 3.783 11.175 -0.608 0.50 0.00 O ATOM 477 CB ASP A 30 2.942 12.144 -3.388 0.50 0.00 C ATOM 478 CG ASP A 30 1.880 12.202 -4.490 0.50 0.00 C ATOM 479 OD1 ASP A 30 1.789 11.252 -5.249 0.50 0.00 O ATOM 480 OD2 ASP A 30 1.177 13.197 -4.556 0.50 0.00 O ATOM 0 H ASP A 30 1.373 10.864 -1.536 0.50 0.00 H new ATOM 0 HA ASP A 30 3.413 10.018 -3.601 0.50 0.00 H new ATOM 0 HB2 ASP A 30 2.680 12.829 -2.581 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.905 12.469 -3.781 0.50 0.00 H new ATOM 485 N VAL A 31 5.189 10.067 -1.887 0.50 0.00 N ATOM 486 CA VAL A 31 6.209 9.991 -0.797 0.50 0.00 C ATOM 487 C VAL A 31 7.612 10.230 -1.376 0.50 0.00 C ATOM 488 O VAL A 31 8.093 9.447 -2.171 0.50 0.00 O ATOM 489 CB VAL A 31 6.096 8.574 -0.219 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.846 8.480 0.659 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.996 7.548 -1.352 0.50 0.00 C ATOM 0 H VAL A 31 5.462 9.626 -2.765 0.50 0.00 H new ATOM 0 HA VAL A 31 6.044 10.746 -0.029 0.50 0.00 H new ATOM 0 HB VAL A 31 6.984 8.363 0.377 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.765 7.474 1.070 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.919 9.200 1.474 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.963 8.699 0.059 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.916 6.546 -0.930 0.50 0.00 H new ATOM 0 HG22 VAL A 31 5.114 7.758 -1.956 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.887 7.608 -1.977 0.50 0.00 H new ATOM 501 N PRO A 32 8.225 11.318 -0.970 0.50 0.00 N ATOM 502 CA PRO A 32 9.578 11.655 -1.473 0.50 0.00 C ATOM 503 C PRO A 32 10.650 10.839 -0.744 0.50 0.00 C ATOM 504 O PRO A 32 10.745 10.865 0.467 0.50 0.00 O ATOM 505 CB PRO A 32 9.720 13.139 -1.148 0.50 0.00 C ATOM 506 CG PRO A 32 8.798 13.384 0.006 0.50 0.00 C ATOM 507 CD PRO A 32 7.726 12.321 -0.021 0.50 0.00 C ATOM 0 HA PRO A 32 9.702 11.436 -2.534 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.749 13.387 -0.888 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.450 13.756 -2.005 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.347 13.348 0.947 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.353 14.376 -0.066 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.571 11.889 0.968 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.769 12.731 -0.344 0.50 0.00 H new ATOM 515 N ILE A 33 11.462 10.121 -1.474 0.50 0.00 N ATOM 516 CA ILE A 33 12.536 9.305 -0.828 0.50 0.00 C ATOM 517 C ILE A 33 13.896 9.704 -1.408 0.50 0.00 C ATOM 518 O ILE A 33 13.973 10.422 -2.385 0.50 0.00 O ATOM 519 CB ILE A 33 12.226 7.828 -1.160 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.749 7.648 -1.559 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.523 6.957 0.068 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.564 6.288 -2.237 0.50 0.00 C ATOM 0 H ILE A 33 11.429 10.063 -2.492 0.50 0.00 H new ATOM 0 HA ILE A 33 12.568 9.462 0.250 0.50 0.00 H new ATOM 0 HB ILE A 33 12.853 7.527 -1.999 0.50 0.00 H new ATOM 0 HG12 ILE A 33 10.112 7.716 -0.677 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.444 8.447 -2.234 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.305 5.915 -0.164 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.574 7.056 0.339 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.901 7.281 0.903 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.519 6.161 -2.519 0.50 0.00 H new ATOM 0 HD12 ILE A 33 11.189 6.238 -3.129 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.852 5.495 -1.547 0.50 0.00 H new ATOM 534 N SER A 34 14.967 9.247 -0.816 0.50 0.00 N ATOM 535 CA SER A 34 16.317 9.609 -1.343 0.50 0.00 C ATOM 536 C SER A 34 16.728 8.631 -2.450 0.50 0.00 C ATOM 537 O SER A 34 15.894 8.091 -3.147 0.50 0.00 O ATOM 538 CB SER A 34 17.255 9.501 -0.141 0.50 0.00 C ATOM 539 OG SER A 34 18.580 9.821 -0.548 0.50 0.00 O ATOM 0 H SER A 34 14.967 8.642 0.005 0.50 0.00 H new ATOM 0 HA SER A 34 16.340 10.607 -1.781 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.931 10.178 0.649 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.222 8.492 0.271 0.50 0.00 H new ATOM 0 HG SER A 34 19.195 9.122 -0.240 0.50 0.00 H new ATOM 545 N GLY A 35 18.004 8.400 -2.621 0.50 0.00 N ATOM 546 CA GLY A 35 18.456 7.459 -3.685 0.50 0.00 C ATOM 547 C GLY A 35 18.735 8.241 -4.971 0.50 0.00 C ATOM 548 O GLY A 35 18.111 9.248 -5.242 0.50 0.00 O ATOM 0 H GLY A 35 18.751 8.823 -2.070 0.50 0.00 H new ATOM 0 HA2 GLY A 35 19.355 6.934 -3.363 0.50 0.00 H new ATOM 0 HA3 GLY A 35 17.692 6.702 -3.865 0.50 0.00 H new ATOM 552 N ASP A 36 19.670 7.786 -5.762 0.50 0.00 N ATOM 553 CA ASP A 36 19.991 8.505 -7.030 0.50 0.00 C ATOM 554 C ASP A 36 20.542 7.520 -8.076 0.50 0.00 C ATOM 555 O ASP A 36 21.459 6.779 -7.788 0.50 0.00 O ATOM 556 CB ASP A 36 21.064 9.524 -6.639 0.50 0.00 C ATOM 557 CG ASP A 36 20.988 10.729 -7.578 0.50 0.00 C ATOM 558 OD1 ASP A 36 20.074 11.522 -7.421 0.50 0.00 O ATOM 559 OD2 ASP A 36 21.846 10.840 -8.438 0.50 0.00 O ATOM 0 H ASP A 36 20.225 6.949 -5.585 0.50 0.00 H new ATOM 0 HA ASP A 36 19.114 8.979 -7.472 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.919 9.844 -5.607 0.50 0.00 H new ATOM 0 HB3 ASP A 36 22.052 9.067 -6.695 0.50 0.00 H new ATOM 564 N PRO A 37 19.979 7.534 -9.267 0.50 0.00 N ATOM 565 CA PRO A 37 18.856 8.449 -9.602 0.50 0.00 C ATOM 566 C PRO A 37 17.554 7.947 -8.973 0.50 0.00 C ATOM 567 O PRO A 37 16.905 8.649 -8.224 0.50 0.00 O ATOM 568 CB PRO A 37 18.782 8.386 -11.124 0.50 0.00 C ATOM 569 CG PRO A 37 19.381 7.067 -11.496 0.50 0.00 C ATOM 570 CD PRO A 37 20.353 6.688 -10.407 0.50 0.00 C ATOM 0 HA PRO A 37 19.004 9.463 -9.230 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.751 8.461 -11.471 0.50 0.00 H new ATOM 0 HB3 PRO A 37 19.332 9.210 -11.579 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.605 6.309 -11.598 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.890 7.134 -12.458 0.50 0.00 H new ATOM 0 HD2 PRO A 37 20.276 5.630 -10.158 0.50 0.00 H new ATOM 0 HD3 PRO A 37 21.383 6.869 -10.714 0.50 0.00 H new ATOM 578 N ALA A 38 17.171 6.737 -9.276 0.50 0.00 N ATOM 579 CA ALA A 38 15.911 6.185 -8.698 0.50 0.00 C ATOM 580 C ALA A 38 16.222 5.011 -7.761 0.50 0.00 C ATOM 581 O ALA A 38 16.973 4.123 -8.113 0.50 0.00 O ATOM 582 CB ALA A 38 15.098 5.709 -9.901 0.50 0.00 C ATOM 0 H ALA A 38 17.675 6.106 -9.899 0.50 0.00 H new ATOM 0 HA ALA A 38 15.371 6.925 -8.107 0.50 0.00 H new ATOM 0 HB1 ALA A 38 14.153 5.288 -9.558 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.901 6.552 -10.563 0.50 0.00 H new ATOM 0 HB3 ALA A 38 15.660 4.947 -10.441 0.50 0.00 H new ATOM 588 N PRO A 39 15.632 5.044 -6.592 0.50 0.00 N ATOM 589 CA PRO A 39 15.853 3.968 -5.600 0.50 0.00 C ATOM 590 C PRO A 39 14.942 2.778 -5.904 0.50 0.00 C ATOM 591 O PRO A 39 14.369 2.679 -6.973 0.50 0.00 O ATOM 592 CB PRO A 39 15.455 4.616 -4.280 0.50 0.00 C ATOM 593 CG PRO A 39 14.484 5.701 -4.642 0.50 0.00 C ATOM 594 CD PRO A 39 14.717 6.073 -6.087 0.50 0.00 C ATOM 0 HA PRO A 39 16.875 3.588 -5.597 0.50 0.00 H new ATOM 0 HB2 PRO A 39 14.999 3.889 -3.608 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.325 5.024 -3.765 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.459 5.359 -4.497 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.625 6.569 -3.998 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.783 6.083 -6.649 0.50 0.00 H new ATOM 0 HD3 PRO A 39 15.153 7.068 -6.175 0.50 0.00 H new ATOM 602 N THR A 40 14.788 1.883 -4.966 0.50 0.00 N ATOM 603 CA THR A 40 13.894 0.711 -5.194 0.50 0.00 C ATOM 604 C THR A 40 12.859 0.644 -4.073 0.50 0.00 C ATOM 605 O THR A 40 13.051 -0.027 -3.077 0.50 0.00 O ATOM 606 CB THR A 40 14.810 -0.516 -5.154 0.50 0.00 C ATOM 607 OG1 THR A 40 16.117 -0.152 -5.578 0.50 0.00 O ATOM 608 CG2 THR A 40 14.255 -1.596 -6.085 0.50 0.00 C ATOM 0 H THR A 40 15.242 1.912 -4.053 0.50 0.00 H new ATOM 0 HA THR A 40 13.356 0.772 -6.140 0.50 0.00 H new ATOM 0 HB THR A 40 14.855 -0.900 -4.135 0.50 0.00 H new ATOM 0 HG1 THR A 40 16.553 0.376 -4.877 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.906 -2.470 -6.057 0.50 0.00 H new ATOM 0 HG22 THR A 40 13.254 -1.879 -5.758 0.50 0.00 H new ATOM 0 HG23 THR A 40 14.209 -1.210 -7.103 0.50 0.00 H new ATOM 616 N VAL A 41 11.768 1.342 -4.225 0.50 0.00 N ATOM 617 CA VAL A 41 10.720 1.333 -3.165 0.50 0.00 C ATOM 618 C VAL A 41 9.674 0.247 -3.452 0.50 0.00 C ATOM 619 O VAL A 41 8.780 0.422 -4.257 0.50 0.00 O ATOM 620 CB VAL A 41 10.099 2.735 -3.210 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.454 2.984 -4.578 0.50 0.00 C ATOM 622 CG2 VAL A 41 9.034 2.856 -2.124 0.50 0.00 C ATOM 0 H VAL A 41 11.556 1.919 -5.039 0.50 0.00 H new ATOM 0 HA VAL A 41 11.127 1.107 -2.179 0.50 0.00 H new ATOM 0 HB VAL A 41 10.883 3.473 -3.044 0.50 0.00 H new ATOM 0 HG11 VAL A 41 9.017 3.982 -4.598 0.50 0.00 H new ATOM 0 HG12 VAL A 41 10.212 2.904 -5.357 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.674 2.243 -4.753 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.593 3.852 -2.156 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.257 2.110 -2.291 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.490 2.692 -1.148 0.50 0.00 H new ATOM 632 N ILE A 42 9.791 -0.880 -2.801 0.50 0.00 N ATOM 633 CA ILE A 42 8.822 -1.989 -3.027 0.50 0.00 C ATOM 634 C ILE A 42 7.671 -1.910 -2.017 0.50 0.00 C ATOM 635 O ILE A 42 7.868 -2.074 -0.829 0.50 0.00 O ATOM 636 CB ILE A 42 9.649 -3.257 -2.802 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.711 -3.385 -3.901 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.735 -4.481 -2.827 0.50 0.00 C ATOM 639 CD1 ILE A 42 10.041 -3.417 -5.279 0.50 0.00 C ATOM 0 H ILE A 42 10.522 -1.080 -2.118 0.50 0.00 H new ATOM 0 HA ILE A 42 8.367 -1.955 -4.017 0.50 0.00 H new ATOM 0 HB ILE A 42 10.141 -3.195 -1.831 0.50 0.00 H new ATOM 0 HG12 ILE A 42 11.406 -2.547 -3.845 0.50 0.00 H new ATOM 0 HG13 ILE A 42 11.294 -4.294 -3.750 0.50 0.00 H new ATOM 0 HG21 ILE A 42 9.328 -5.381 -2.666 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.988 -4.393 -2.038 0.50 0.00 H new ATOM 0 HG23 ILE A 42 8.236 -4.543 -3.794 0.50 0.00 H new ATOM 0 HD11 ILE A 42 10.804 -3.508 -6.052 0.50 0.00 H new ATOM 0 HD12 ILE A 42 9.364 -4.270 -5.335 0.50 0.00 H new ATOM 0 HD13 ILE A 42 9.478 -2.496 -5.431 0.50 0.00 H new ATOM 651 N TRP A 43 6.472 -1.670 -2.480 0.50 0.00 N ATOM 652 CA TRP A 43 5.308 -1.592 -1.545 0.50 0.00 C ATOM 653 C TRP A 43 4.924 -2.996 -1.063 0.50 0.00 C ATOM 654 O TRP A 43 4.453 -3.814 -1.829 0.50 0.00 O ATOM 655 CB TRP A 43 4.164 -0.994 -2.370 0.50 0.00 C ATOM 656 CG TRP A 43 4.408 0.463 -2.593 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.706 1.024 -3.787 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.377 1.552 -1.624 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.860 2.387 -3.614 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.671 2.760 -2.299 0.50 0.00 C ATOM 661 CE3 TRP A 43 4.128 1.609 -0.242 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.716 3.981 -1.624 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.175 2.832 0.440 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.470 4.017 -0.248 0.50 0.00 C ATOM 0 H TRP A 43 6.248 -1.525 -3.464 0.50 0.00 H new ATOM 0 HA TRP A 43 5.535 -0.993 -0.663 0.50 0.00 H new ATOM 0 HB2 TRP A 43 4.086 -1.510 -3.327 0.50 0.00 H new ATOM 0 HB3 TRP A 43 3.216 -1.138 -1.852 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.807 0.494 -4.723 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.086 3.037 -4.367 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.899 0.703 0.299 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 4.939 4.891 -2.161 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.983 2.862 1.502 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.507 4.956 0.284 0.50 0.00 H new ATOM 675 N GLN A 44 5.112 -3.279 0.199 0.50 0.00 N ATOM 676 CA GLN A 44 4.747 -4.629 0.722 0.50 0.00 C ATOM 677 C GLN A 44 3.420 -4.553 1.479 0.50 0.00 C ATOM 678 O GLN A 44 2.994 -3.495 1.896 0.50 0.00 O ATOM 679 CB GLN A 44 5.885 -5.014 1.668 0.50 0.00 C ATOM 680 CG GLN A 44 6.019 -6.536 1.715 0.50 0.00 C ATOM 681 CD GLN A 44 7.117 -6.922 2.708 0.50 0.00 C ATOM 682 OE1 GLN A 44 6.951 -6.774 3.902 0.50 0.00 O ATOM 683 NE2 GLN A 44 8.240 -7.413 2.261 0.50 0.00 N ATOM 0 H GLN A 44 5.501 -2.636 0.889 0.50 0.00 H new ATOM 0 HA GLN A 44 4.621 -5.362 -0.075 0.50 0.00 H new ATOM 0 HB2 GLN A 44 6.820 -4.567 1.330 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.688 -4.625 2.667 0.50 0.00 H new ATOM 0 HG2 GLN A 44 5.071 -6.986 2.011 0.50 0.00 H new ATOM 0 HG3 GLN A 44 6.259 -6.921 0.724 0.50 0.00 H new ATOM 0 HE21 GLN A 44 8.379 -7.537 1.258 0.50 0.00 H new ATOM 0 HE22 GLN A 44 8.979 -7.673 2.914 0.50 0.00 H new ATOM 692 N LYS A 45 2.760 -5.668 1.657 0.50 0.00 N ATOM 693 CA LYS A 45 1.457 -5.655 2.386 0.50 0.00 C ATOM 694 C LYS A 45 1.473 -6.679 3.524 0.50 0.00 C ATOM 695 O LYS A 45 2.223 -7.636 3.502 0.50 0.00 O ATOM 696 CB LYS A 45 0.408 -6.031 1.335 0.50 0.00 C ATOM 697 CG LYS A 45 0.743 -7.397 0.730 0.50 0.00 C ATOM 698 CD LYS A 45 -0.329 -7.779 -0.293 0.50 0.00 C ATOM 699 CE LYS A 45 0.059 -9.094 -0.974 0.50 0.00 C ATOM 700 NZ LYS A 45 -0.451 -8.972 -2.367 0.50 0.00 N ATOM 0 H LYS A 45 3.066 -6.584 1.330 0.50 0.00 H new ATOM 0 HA LYS A 45 1.249 -4.686 2.839 0.50 0.00 H new ATOM 0 HB2 LYS A 45 -0.582 -6.058 1.790 0.50 0.00 H new ATOM 0 HB3 LYS A 45 0.378 -5.274 0.551 0.50 0.00 H new ATOM 0 HG2 LYS A 45 1.722 -7.365 0.252 0.50 0.00 H new ATOM 0 HG3 LYS A 45 0.797 -8.151 1.515 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -1.296 -7.884 0.200 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -0.434 -6.989 -1.037 0.50 0.00 H new ATOM 0 HE2 LYS A 45 1.139 -9.242 -0.961 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -0.386 -9.949 -0.464 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -0.223 -9.837 -2.897 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -1.482 -8.839 -2.349 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -0.005 -8.154 -2.830 0.50 0.00 H new ATOM 899 N PRO A 59 -13.246 13.070 11.808 0.50 0.00 N ATOM 900 CA PRO A 59 -14.117 13.487 10.681 0.50 0.00 C ATOM 901 C PRO A 59 -14.020 15.000 10.463 0.50 0.00 C ATOM 902 O PRO A 59 -14.386 15.785 11.317 0.50 0.00 O ATOM 903 CB PRO A 59 -15.517 13.092 11.143 0.50 0.00 C ATOM 904 CG PRO A 59 -15.442 13.073 12.635 0.50 0.00 C ATOM 905 CD PRO A 59 -14.025 12.713 13.002 0.50 0.00 C ATOM 0 HA PRO A 59 -13.842 13.025 9.733 0.50 0.00 H new ATOM 0 HB2 PRO A 59 -16.263 13.806 10.795 0.50 0.00 H new ATOM 0 HB3 PRO A 59 -15.801 12.116 10.750 0.50 0.00 H new ATOM 0 HG2 PRO A 59 -15.711 14.046 13.047 0.50 0.00 H new ATOM 0 HG3 PRO A 59 -16.143 12.347 13.047 0.50 0.00 H new ATOM 0 HD2 PRO A 59 -13.687 13.266 13.879 0.50 0.00 H new ATOM 0 HD3 PRO A 59 -13.931 11.653 13.238 0.50 0.00 H new ATOM 913 N ASP A 60 -13.532 15.413 9.324 0.50 0.00 N ATOM 914 CA ASP A 60 -13.410 16.873 9.045 0.50 0.00 C ATOM 915 C ASP A 60 -13.991 17.194 7.669 0.50 0.00 C ATOM 916 O ASP A 60 -13.274 17.585 6.771 0.50 0.00 O ATOM 917 CB ASP A 60 -11.909 17.163 9.061 0.50 0.00 C ATOM 918 CG ASP A 60 -11.339 16.840 10.445 0.50 0.00 C ATOM 919 OD1 ASP A 60 -11.508 17.653 11.338 0.50 0.00 O ATOM 920 OD2 ASP A 60 -10.742 15.786 10.586 0.50 0.00 O ATOM 0 H ASP A 60 -13.212 14.801 8.573 0.50 0.00 H new ATOM 0 HA ASP A 60 -13.950 17.475 9.776 0.50 0.00 H new ATOM 0 HB2 ASP A 60 -11.405 16.567 8.301 0.50 0.00 H new ATOM 0 HB3 ASP A 60 -11.728 18.210 8.817 0.50 0.00 H new ATOM 925 N ALA A 61 -15.281 17.028 7.497 0.50 0.00 N ATOM 926 CA ALA A 61 -15.921 17.320 6.172 0.50 0.00 C ATOM 927 C ALA A 61 -15.348 18.610 5.568 0.50 0.00 C ATOM 928 O ALA A 61 -15.760 19.696 5.926 0.50 0.00 O ATOM 929 CB ALA A 61 -17.407 17.492 6.483 0.50 0.00 C ATOM 0 H ALA A 61 -15.922 16.701 8.220 0.50 0.00 H new ATOM 0 HA ALA A 61 -15.740 16.527 5.447 0.50 0.00 H new ATOM 0 HB1 ALA A 61 -17.949 17.709 5.562 0.50 0.00 H new ATOM 0 HB2 ALA A 61 -17.795 16.574 6.924 0.50 0.00 H new ATOM 0 HB3 ALA A 61 -17.539 18.316 7.184 0.50 0.00 H new ATOM 935 N PRO A 62 -14.397 18.447 4.682 0.50 0.00 N ATOM 936 CA PRO A 62 -13.745 19.602 4.042 0.50 0.00 C ATOM 937 C PRO A 62 -14.463 19.970 2.740 0.50 0.00 C ATOM 938 O PRO A 62 -14.418 19.239 1.769 0.50 0.00 O ATOM 939 CB PRO A 62 -12.339 19.077 3.764 0.50 0.00 C ATOM 940 CG PRO A 62 -12.470 17.581 3.667 0.50 0.00 C ATOM 941 CD PRO A 62 -13.834 17.189 4.191 0.50 0.00 C ATOM 0 HA PRO A 62 -13.755 20.506 4.651 0.50 0.00 H new ATOM 0 HB2 PRO A 62 -11.942 19.495 2.839 0.50 0.00 H new ATOM 0 HB3 PRO A 62 -11.652 19.358 4.562 0.50 0.00 H new ATOM 0 HG2 PRO A 62 -12.352 17.256 2.633 0.50 0.00 H new ATOM 0 HG3 PRO A 62 -11.686 17.093 4.246 0.50 0.00 H new ATOM 0 HD2 PRO A 62 -14.453 16.753 3.407 0.50 0.00 H new ATOM 0 HD3 PRO A 62 -13.759 16.448 4.986 0.50 0.00 H new ATOM 949 N GLU A 63 -15.124 21.096 2.714 0.50 0.00 N ATOM 950 CA GLU A 63 -15.844 21.510 1.474 0.50 0.00 C ATOM 951 C GLU A 63 -14.839 21.813 0.358 0.50 0.00 C ATOM 952 O GLU A 63 -13.664 22.007 0.606 0.50 0.00 O ATOM 953 CB GLU A 63 -16.617 22.775 1.862 0.50 0.00 C ATOM 954 CG GLU A 63 -18.119 22.485 1.844 0.50 0.00 C ATOM 955 CD GLU A 63 -18.885 23.772 1.537 0.50 0.00 C ATOM 956 OE1 GLU A 63 -19.066 24.563 2.449 0.50 0.00 O ATOM 957 OE2 GLU A 63 -19.278 23.947 0.394 0.50 0.00 O ATOM 0 H GLU A 63 -15.197 21.747 3.496 0.50 0.00 H new ATOM 0 HA GLU A 63 -16.507 20.729 1.102 0.50 0.00 H new ATOM 0 HB2 GLU A 63 -16.313 23.109 2.854 0.50 0.00 H new ATOM 0 HB3 GLU A 63 -16.384 23.583 1.168 0.50 0.00 H new ATOM 0 HG2 GLU A 63 -18.345 21.728 1.093 0.50 0.00 H new ATOM 0 HG3 GLU A 63 -18.434 22.083 2.807 0.50 0.00 H new ATOM 964 N ASP A 64 -15.291 21.854 -0.866 0.50 0.00 N ATOM 965 CA ASP A 64 -14.361 22.142 -1.997 0.50 0.00 C ATOM 966 C ASP A 64 -14.641 23.533 -2.574 0.50 0.00 C ATOM 967 O ASP A 64 -15.764 23.998 -2.580 0.50 0.00 O ATOM 968 CB ASP A 64 -14.650 21.058 -3.038 0.50 0.00 C ATOM 969 CG ASP A 64 -16.117 21.132 -3.470 0.50 0.00 C ATOM 970 OD1 ASP A 64 -16.438 22.006 -4.258 0.50 0.00 O ATOM 971 OD2 ASP A 64 -16.894 20.314 -3.005 0.50 0.00 O ATOM 0 H ASP A 64 -16.264 21.701 -1.132 0.50 0.00 H new ATOM 0 HA ASP A 64 -13.317 22.135 -1.683 0.50 0.00 H new ATOM 0 HB2 ASP A 64 -14.000 21.189 -3.903 0.50 0.00 H new ATOM 0 HB3 ASP A 64 -14.433 20.074 -2.622 0.50 0.00 H new ATOM 976 N THR A 65 -13.627 24.198 -3.062 0.50 0.00 N ATOM 977 CA THR A 65 -13.832 25.557 -3.641 0.50 0.00 C ATOM 978 C THR A 65 -13.473 25.554 -5.130 0.50 0.00 C ATOM 979 O THR A 65 -13.008 26.539 -5.668 0.50 0.00 O ATOM 980 CB THR A 65 -12.880 26.468 -2.862 0.50 0.00 C ATOM 981 OG1 THR A 65 -13.008 26.203 -1.472 0.50 0.00 O ATOM 982 CG2 THR A 65 -13.230 27.931 -3.139 0.50 0.00 C ATOM 0 H THR A 65 -12.666 23.858 -3.084 0.50 0.00 H new ATOM 0 HA THR A 65 -14.867 25.888 -3.563 0.50 0.00 H new ATOM 0 HB THR A 65 -11.854 26.277 -3.176 0.50 0.00 H new ATOM 0 HG1 THR A 65 -12.398 26.784 -0.971 0.50 0.00 H new ATOM 0 HG21 THR A 65 -12.552 28.579 -2.584 0.50 0.00 H new ATOM 0 HG22 THR A 65 -13.133 28.133 -4.206 0.50 0.00 H new ATOM 0 HG23 THR A 65 -14.256 28.125 -2.825 0.50 0.00 H new ATOM 990 N GLY A 66 -13.688 24.452 -5.797 0.50 0.00 N ATOM 991 CA GLY A 66 -13.362 24.378 -7.250 0.50 0.00 C ATOM 992 C GLY A 66 -13.810 23.026 -7.806 0.50 0.00 C ATOM 993 O GLY A 66 -14.201 22.142 -7.070 0.50 0.00 O ATOM 0 H GLY A 66 -14.076 23.598 -5.397 0.50 0.00 H new ATOM 0 HA2 GLY A 66 -13.859 25.186 -7.786 0.50 0.00 H new ATOM 0 HA3 GLY A 66 -12.290 24.508 -7.400 0.50 0.00 H new ATOM 997 N ASP A 67 -13.757 22.858 -9.101 0.50 0.00 N ATOM 998 CA ASP A 67 -14.181 21.563 -9.706 0.50 0.00 C ATOM 999 C ASP A 67 -13.568 21.404 -11.100 0.50 0.00 C ATOM 1000 O ASP A 67 -14.158 20.813 -11.983 0.50 0.00 O ATOM 1001 CB ASP A 67 -15.705 21.648 -9.796 0.50 0.00 C ATOM 1002 CG ASP A 67 -16.299 20.240 -9.747 0.50 0.00 C ATOM 1003 OD1 ASP A 67 -15.930 19.492 -8.857 0.50 0.00 O ATOM 1004 OD2 ASP A 67 -17.114 19.932 -10.602 0.50 0.00 O ATOM 0 H ASP A 67 -13.438 23.563 -9.766 0.50 0.00 H new ATOM 0 HA ASP A 67 -13.855 20.706 -9.117 0.50 0.00 H new ATOM 0 HB2 ASP A 67 -16.095 22.248 -8.974 0.50 0.00 H new ATOM 0 HB3 ASP A 67 -15.998 22.146 -10.720 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.741 0.390 -7.970 0.50 0.00 N ATOM 1304 CA ARG A 86 -2.726 0.782 -8.991 0.50 0.00 C ATOM 1305 C ARG A 86 -1.552 1.502 -8.323 0.50 0.00 C ATOM 1306 O ARG A 86 -1.589 2.697 -8.102 0.50 0.00 O ATOM 1307 CB ARG A 86 -3.464 1.725 -9.942 0.50 0.00 C ATOM 1308 CG ARG A 86 -2.950 1.516 -11.369 0.50 0.00 C ATOM 1309 CD ARG A 86 -3.788 2.350 -12.344 0.50 0.00 C ATOM 1310 NE ARG A 86 -2.856 3.389 -12.863 0.50 0.00 N ATOM 1311 CZ ARG A 86 -3.059 3.920 -14.038 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -2.152 3.810 -14.969 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -4.170 4.561 -14.280 0.50 0.00 N ATOM 0 HA ARG A 86 -2.312 -0.081 -9.513 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -4.537 1.536 -9.899 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -3.310 2.760 -9.637 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -1.901 1.806 -11.435 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -3.006 0.461 -11.636 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -4.182 1.734 -13.152 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -4.643 2.802 -11.842 0.50 0.00 H new ATOM 0 HE ARG A 86 -2.059 3.686 -12.300 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -1.284 3.309 -14.779 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -2.311 4.225 -15.887 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -4.879 4.647 -13.551 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -4.330 4.976 -15.198 0.50 0.00 H new ATOM 1327 N VAL A 87 -0.509 0.784 -8.002 0.50 0.00 N ATOM 1328 CA VAL A 87 0.669 1.428 -7.349 0.50 0.00 C ATOM 1329 C VAL A 87 1.840 1.503 -8.334 0.50 0.00 C ATOM 1330 O VAL A 87 1.997 0.656 -9.191 0.50 0.00 O ATOM 1331 CB VAL A 87 1.017 0.518 -6.168 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.197 1.114 -5.397 0.50 0.00 C ATOM 1333 CG2 VAL A 87 -0.193 0.401 -5.236 0.50 0.00 C ATOM 0 H VAL A 87 -0.421 -0.219 -8.163 0.50 0.00 H new ATOM 0 HA VAL A 87 0.458 2.448 -7.027 0.50 0.00 H new ATOM 0 HB VAL A 87 1.285 -0.471 -6.539 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.446 0.467 -4.556 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.059 1.197 -6.059 0.50 0.00 H new ATOM 0 HG13 VAL A 87 1.927 2.103 -5.027 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.056 -0.247 -4.396 0.50 0.00 H new ATOM 0 HG22 VAL A 87 -0.463 1.389 -4.864 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -1.035 -0.023 -5.784 0.50 0.00 H new ATOM 1343 N GLU A 88 2.664 2.511 -8.218 0.50 0.00 N ATOM 1344 CA GLU A 88 3.823 2.640 -9.149 0.50 0.00 C ATOM 1345 C GLU A 88 4.799 3.705 -8.638 0.50 0.00 C ATOM 1346 O GLU A 88 4.406 4.688 -8.044 0.50 0.00 O ATOM 1347 CB GLU A 88 3.212 3.069 -10.488 0.50 0.00 C ATOM 1348 CG GLU A 88 3.538 2.025 -11.559 0.50 0.00 C ATOM 1349 CD GLU A 88 3.206 2.592 -12.941 0.50 0.00 C ATOM 1350 OE1 GLU A 88 3.830 3.568 -13.323 0.50 0.00 O ATOM 1351 OE2 GLU A 88 2.335 2.040 -13.592 0.50 0.00 O ATOM 0 H GLU A 88 2.584 3.250 -7.519 0.50 0.00 H new ATOM 0 HA GLU A 88 4.386 1.711 -9.237 0.50 0.00 H new ATOM 0 HB2 GLU A 88 2.132 3.177 -10.388 0.50 0.00 H new ATOM 0 HB3 GLU A 88 3.604 4.042 -10.783 0.50 0.00 H new ATOM 0 HG2 GLU A 88 4.593 1.754 -11.509 0.50 0.00 H new ATOM 0 HG3 GLU A 88 2.966 1.114 -11.381 0.50 0.00 H new ATOM 1358 N THR A 89 6.071 3.513 -8.871 0.50 0.00 N ATOM 1359 CA THR A 89 7.079 4.510 -8.404 0.50 0.00 C ATOM 1360 C THR A 89 7.643 5.283 -9.600 0.50 0.00 C ATOM 1361 O THR A 89 7.634 4.804 -10.718 0.50 0.00 O ATOM 1362 CB THR A 89 8.177 3.680 -7.734 0.50 0.00 C ATOM 1363 OG1 THR A 89 7.629 2.985 -6.624 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.301 4.602 -7.256 0.50 0.00 C ATOM 0 H THR A 89 6.456 2.708 -9.365 0.50 0.00 H new ATOM 0 HA THR A 89 6.652 5.244 -7.721 0.50 0.00 H new ATOM 0 HB THR A 89 8.580 2.965 -8.451 0.50 0.00 H new ATOM 0 HG1 THR A 89 7.293 3.630 -5.967 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.081 4.008 -6.780 0.50 0.00 H new ATOM 0 HG22 THR A 89 9.721 5.136 -8.108 0.50 0.00 H new ATOM 0 HG23 THR A 89 8.903 5.320 -6.539 0.50 0.00 H new ATOM 1372 N THR A 90 8.132 6.474 -9.376 0.50 0.00 N ATOM 1373 CA THR A 90 8.693 7.270 -10.506 0.50 0.00 C ATOM 1374 C THR A 90 10.214 7.404 -10.367 0.50 0.00 C ATOM 1375 O THR A 90 10.836 6.739 -9.561 0.50 0.00 O ATOM 1376 CB THR A 90 8.010 8.638 -10.413 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.406 9.437 -11.518 0.50 0.00 O ATOM 1378 CG2 THR A 90 8.408 9.333 -9.111 0.50 0.00 C ATOM 0 H THR A 90 8.167 6.928 -8.463 0.50 0.00 H new ATOM 0 HA THR A 90 8.512 6.796 -11.471 0.50 0.00 H new ATOM 0 HB THR A 90 6.929 8.502 -10.427 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.969 10.312 -11.462 0.50 0.00 H new ATOM 0 HG21 THR A 90 7.918 10.305 -9.053 0.50 0.00 H new ATOM 0 HG22 THR A 90 8.101 8.721 -8.263 0.50 0.00 H new ATOM 0 HG23 THR A 90 9.489 9.470 -9.087 0.50 0.00 H new ATOM 1386 N LYS A 91 10.812 8.251 -11.162 0.50 0.00 N ATOM 1387 CA LYS A 91 12.296 8.435 -11.115 0.50 0.00 C ATOM 1388 C LYS A 91 12.813 8.593 -9.677 0.50 0.00 C ATOM 1389 O LYS A 91 13.842 8.054 -9.326 0.50 0.00 O ATOM 1390 CB LYS A 91 12.559 9.710 -11.917 0.50 0.00 C ATOM 1391 CG LYS A 91 12.213 9.469 -13.392 0.50 0.00 C ATOM 1392 CD LYS A 91 13.343 9.993 -14.285 0.50 0.00 C ATOM 1393 CE LYS A 91 12.883 11.266 -15.001 0.50 0.00 C ATOM 1394 NZ LYS A 91 13.024 12.349 -13.988 0.50 0.00 N ATOM 0 H LYS A 91 10.332 8.831 -11.850 0.50 0.00 H new ATOM 0 HA LYS A 91 12.813 7.565 -11.521 0.50 0.00 H new ATOM 0 HB2 LYS A 91 11.960 10.531 -11.522 0.50 0.00 H new ATOM 0 HB3 LYS A 91 13.604 10.003 -11.821 0.50 0.00 H new ATOM 0 HG2 LYS A 91 12.061 8.404 -13.570 0.50 0.00 H new ATOM 0 HG3 LYS A 91 11.278 9.970 -13.642 0.50 0.00 H new ATOM 0 HD2 LYS A 91 14.228 10.201 -13.684 0.50 0.00 H new ATOM 0 HD3 LYS A 91 13.625 9.234 -15.015 0.50 0.00 H new ATOM 0 HE2 LYS A 91 13.494 11.467 -15.881 0.50 0.00 H new ATOM 0 HE3 LYS A 91 11.852 11.176 -15.342 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 12.743 13.257 -14.410 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 12.413 12.143 -13.172 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 14.014 12.404 -13.674 0.50 0.00 H new ATOM 1408 N ASP A 92 12.127 9.332 -8.846 0.50 0.00 N ATOM 1409 CA ASP A 92 12.618 9.515 -7.445 0.50 0.00 C ATOM 1410 C ASP A 92 11.462 9.826 -6.491 0.50 0.00 C ATOM 1411 O ASP A 92 11.532 10.754 -5.708 0.50 0.00 O ATOM 1412 CB ASP A 92 13.583 10.698 -7.519 0.50 0.00 C ATOM 1413 CG ASP A 92 14.752 10.465 -6.560 0.50 0.00 C ATOM 1414 OD1 ASP A 92 14.506 10.009 -5.456 0.50 0.00 O ATOM 1415 OD2 ASP A 92 15.875 10.745 -6.948 0.50 0.00 O ATOM 0 H ASP A 92 11.256 9.813 -9.071 0.50 0.00 H new ATOM 0 HA ASP A 92 13.095 8.613 -7.063 0.50 0.00 H new ATOM 0 HB2 ASP A 92 13.953 10.816 -8.538 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.064 11.621 -7.259 0.50 0.00 H new ATOM 1420 N ARG A 93 10.406 9.059 -6.541 0.50 0.00 N ATOM 1421 CA ARG A 93 9.250 9.314 -5.628 0.50 0.00 C ATOM 1422 C ARG A 93 8.194 8.221 -5.800 0.50 0.00 C ATOM 1423 O ARG A 93 7.541 8.132 -6.821 0.50 0.00 O ATOM 1424 CB ARG A 93 8.686 10.674 -6.050 0.50 0.00 C ATOM 1425 CG ARG A 93 7.583 11.096 -5.076 0.50 0.00 C ATOM 1426 CD ARG A 93 6.749 12.214 -5.706 0.50 0.00 C ATOM 1427 NE ARG A 93 6.320 13.064 -4.561 0.50 0.00 N ATOM 1428 CZ ARG A 93 6.091 14.337 -4.742 0.50 0.00 C ATOM 1429 NH1 ARG A 93 4.867 14.767 -4.876 0.50 0.00 N ATOM 1430 NH2 ARG A 93 7.088 15.177 -4.790 0.50 0.00 N ATOM 0 H ARG A 93 10.292 8.267 -7.174 0.50 0.00 H new ATOM 0 HA ARG A 93 9.550 9.311 -4.580 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.480 11.421 -6.062 0.50 0.00 H new ATOM 0 HB3 ARG A 93 8.288 10.616 -7.063 0.50 0.00 H new ATOM 0 HG2 ARG A 93 6.947 10.243 -4.838 0.50 0.00 H new ATOM 0 HG3 ARG A 93 8.022 11.438 -4.139 0.50 0.00 H new ATOM 0 HD2 ARG A 93 7.335 12.786 -6.425 0.50 0.00 H new ATOM 0 HD3 ARG A 93 5.890 11.811 -6.243 0.50 0.00 H new ATOM 0 HE ARG A 93 6.205 12.652 -3.635 0.50 0.00 H new ATOM 0 HH11 ARG A 93 4.088 14.109 -4.839 0.50 0.00 H new ATOM 0 HH12 ARG A 93 4.688 15.761 -5.017 0.50 0.00 H new ATOM 0 HH21 ARG A 93 8.045 14.839 -4.686 0.50 0.00 H new ATOM 0 HH22 ARG A 93 6.911 16.171 -4.931 0.50 0.00 H new ATOM 1444 N SER A 94 8.021 7.389 -4.809 0.50 0.00 N ATOM 1445 CA SER A 94 7.006 6.302 -4.918 0.50 0.00 C ATOM 1446 C SER A 94 5.598 6.887 -4.787 0.50 0.00 C ATOM 1447 O SER A 94 5.378 7.841 -4.066 0.50 0.00 O ATOM 1448 CB SER A 94 7.309 5.360 -3.753 0.50 0.00 C ATOM 1449 OG SER A 94 6.655 4.118 -3.971 0.50 0.00 O ATOM 0 H SER A 94 8.538 7.415 -3.930 0.50 0.00 H new ATOM 0 HA SER A 94 7.049 5.786 -5.877 0.50 0.00 H new ATOM 0 HB2 SER A 94 8.385 5.207 -3.664 0.50 0.00 H new ATOM 0 HB3 SER A 94 6.972 5.802 -2.816 0.50 0.00 H new ATOM 0 HG SER A 94 6.178 3.852 -3.157 0.50 0.00 H new ATOM 1455 N ILE A 95 4.644 6.329 -5.483 0.50 0.00 N ATOM 1456 CA ILE A 95 3.253 6.862 -5.401 0.50 0.00 C ATOM 1457 C ILE A 95 2.257 5.725 -5.146 0.50 0.00 C ATOM 1458 O ILE A 95 2.292 4.696 -5.794 0.50 0.00 O ATOM 1459 CB ILE A 95 3.006 7.533 -6.767 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.451 8.940 -6.549 0.50 0.00 C ATOM 1461 CG2 ILE A 95 1.997 6.729 -7.596 0.50 0.00 C ATOM 1462 CD1 ILE A 95 2.896 9.849 -7.695 0.50 0.00 C ATOM 0 H ILE A 95 4.767 5.529 -6.104 0.50 0.00 H new ATOM 0 HA ILE A 95 3.123 7.566 -4.579 0.50 0.00 H new ATOM 0 HB ILE A 95 3.954 7.576 -7.304 0.50 0.00 H new ATOM 0 HG12 ILE A 95 1.363 8.909 -6.498 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.804 9.338 -5.598 0.50 0.00 H new ATOM 0 HG21 ILE A 95 1.839 7.222 -8.555 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.383 5.724 -7.764 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.050 6.669 -7.059 0.50 0.00 H new ATOM 0 HD11 ILE A 95 2.500 10.852 -7.539 0.50 0.00 H new ATOM 0 HD12 ILE A 95 3.985 9.890 -7.725 0.50 0.00 H new ATOM 0 HD13 ILE A 95 2.521 9.454 -8.639 0.50 0.00 H new ATOM 1474 N PHE A 96 1.356 5.912 -4.219 0.50 0.00 N ATOM 1475 CA PHE A 96 0.343 4.857 -3.939 0.50 0.00 C ATOM 1476 C PHE A 96 -1.050 5.405 -4.257 0.50 0.00 C ATOM 1477 O PHE A 96 -1.667 6.072 -3.452 0.50 0.00 O ATOM 1478 CB PHE A 96 0.482 4.544 -2.447 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.520 3.482 -2.057 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -1.811 3.849 -1.656 0.50 0.00 C ATOM 1481 CD2 PHE A 96 -0.157 2.132 -2.097 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -2.737 2.863 -1.295 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -1.083 1.146 -1.735 0.50 0.00 C ATOM 1484 CZ PHE A 96 -2.373 1.512 -1.334 0.50 0.00 C ATOM 0 H PHE A 96 1.279 6.751 -3.644 0.50 0.00 H new ATOM 0 HA PHE A 96 0.488 3.960 -4.541 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.494 4.201 -2.230 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.318 5.447 -1.859 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -2.092 4.891 -1.625 0.50 0.00 H new ATOM 0 HD2 PHE A 96 0.838 1.850 -2.407 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -3.733 3.145 -0.986 0.50 0.00 H new ATOM 0 HE2 PHE A 96 -0.802 0.104 -1.765 0.50 0.00 H new ATOM 0 HZ PHE A 96 -3.088 0.752 -1.055 0.50 0.00 H new ATOM 1494 N THR A 97 -1.544 5.132 -5.433 0.50 0.00 N ATOM 1495 CA THR A 97 -2.894 5.642 -5.816 0.50 0.00 C ATOM 1496 C THR A 97 -3.814 4.474 -6.170 0.50 0.00 C ATOM 1497 O THR A 97 -3.582 3.754 -7.119 0.50 0.00 O ATOM 1498 CB THR A 97 -2.666 6.548 -7.036 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.900 6.742 -7.712 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.656 5.910 -7.996 0.50 0.00 C ATOM 0 H THR A 97 -1.072 4.577 -6.147 0.50 0.00 H new ATOM 0 HA THR A 97 -3.371 6.188 -5.002 0.50 0.00 H new ATOM 0 HB THR A 97 -2.271 7.506 -6.696 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.611 6.897 -7.056 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.506 6.565 -8.854 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.707 5.764 -7.481 0.50 0.00 H new ATOM 0 HG23 THR A 97 -2.036 4.947 -8.336 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.858 4.282 -5.409 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.793 3.155 -5.699 0.50 0.00 C ATOM 1510 C VAL A 98 -7.231 3.671 -5.806 0.50 0.00 C ATOM 1511 O VAL A 98 -7.731 4.335 -4.920 0.50 0.00 O ATOM 1512 CB VAL A 98 -5.638 2.187 -4.516 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.824 2.938 -3.193 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -6.684 1.071 -4.621 0.50 0.00 C ATOM 0 H VAL A 98 -5.104 4.854 -4.601 0.50 0.00 H new ATOM 0 HA VAL A 98 -5.569 2.666 -6.647 0.50 0.00 H new ATOM 0 HB VAL A 98 -4.638 1.754 -4.543 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.712 2.243 -2.361 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -5.073 3.724 -3.112 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.819 3.382 -3.163 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -6.571 0.386 -3.780 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -7.683 1.506 -4.603 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -6.542 0.526 -5.554 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.898 3.368 -6.887 0.50 0.00 N ATOM 1525 CA GLU A 99 -9.303 3.837 -7.055 0.50 0.00 C ATOM 1526 C GLU A 99 -10.275 2.751 -6.591 0.50 0.00 C ATOM 1527 O GLU A 99 -11.242 2.440 -7.261 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.459 4.100 -8.552 0.50 0.00 C ATOM 1529 CG GLU A 99 -8.502 5.215 -8.981 0.50 0.00 C ATOM 1530 CD GLU A 99 -7.776 4.804 -10.263 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -8.381 4.115 -11.068 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -6.628 5.185 -10.420 0.50 0.00 O ATOM 0 H GLU A 99 -7.530 2.815 -7.661 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.517 4.728 -6.466 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -9.249 3.190 -9.115 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -10.487 4.383 -8.776 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -9.055 6.140 -9.145 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -7.779 5.412 -8.189 0.50 0.00 H new ATOM 1539 N GLY A 100 -10.023 2.174 -5.450 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.926 1.107 -4.935 0.50 0.00 C ATOM 1541 C GLY A 100 -10.410 0.595 -3.588 0.50 0.00 C ATOM 1542 O GLY A 100 -10.573 -0.561 -3.251 0.50 0.00 O ATOM 0 H GLY A 100 -9.229 2.396 -4.850 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.938 1.497 -4.823 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -10.979 0.286 -5.650 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.725 -1.953 3.115 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.254 -1.489 4.456 0.50 0.00 C ATOM 1622 C GLU A 106 -6.418 -2.580 5.136 0.50 0.00 C ATOM 1623 O GLU A 106 -6.583 -3.755 4.875 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.530 -1.216 5.258 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.485 0.204 5.828 0.50 0.00 C ATOM 1626 CD GLU A 106 -7.849 0.177 7.218 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -6.739 -0.318 7.331 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -8.482 0.653 8.147 0.50 0.00 O ATOM 0 HA GLU A 106 -6.622 -0.604 4.382 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -9.405 -1.335 4.619 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.625 -1.940 6.067 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -7.912 0.854 5.167 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -9.492 0.616 5.886 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.523 -2.195 6.006 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.674 -3.201 6.706 0.50 0.00 C ATOM 1637 C GLY A 107 -3.316 -2.578 7.039 0.50 0.00 C ATOM 1638 O GLY A 107 -3.235 -1.449 7.483 0.50 0.00 O ATOM 0 H GLY A 107 -5.343 -1.224 6.262 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.166 -3.536 7.619 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.538 -4.080 6.076 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.251 -3.302 6.823 0.50 0.00 N ATOM 1643 CA VAL A 108 -0.897 -2.752 7.124 0.50 0.00 C ATOM 1644 C VAL A 108 0.047 -3.005 5.946 0.50 0.00 C ATOM 1645 O VAL A 108 -0.048 -4.007 5.265 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.432 -3.503 8.374 0.50 0.00 C ATOM 1647 CG1 VAL A 108 1.062 -3.257 8.610 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.219 -2.997 9.582 0.50 0.00 C ATOM 0 H VAL A 108 -2.260 -4.252 6.451 0.50 0.00 H new ATOM 0 HA VAL A 108 -0.911 -1.674 7.287 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.602 -4.571 8.235 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.383 -3.796 9.502 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.629 -3.610 7.749 0.50 0.00 H new ATOM 0 HG13 VAL A 108 1.238 -2.190 8.748 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -0.893 -3.528 10.477 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.043 -1.929 9.709 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.283 -3.173 9.423 0.50 0.00 H new ATOM 1658 N TYR A 109 0.953 -2.098 5.702 0.50 0.00 N ATOM 1659 CA TYR A 109 1.904 -2.279 4.565 0.50 0.00 C ATOM 1660 C TYR A 109 3.319 -1.857 4.970 0.50 0.00 C ATOM 1661 O TYR A 109 3.512 -1.094 5.897 0.50 0.00 O ATOM 1662 CB TYR A 109 1.382 -1.362 3.458 0.50 0.00 C ATOM 1663 CG TYR A 109 0.061 -1.882 2.942 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.128 -1.568 3.611 0.50 0.00 C ATOM 1665 CD2 TYR A 109 0.027 -2.676 1.789 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.350 -2.050 3.128 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.197 -3.158 1.307 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.384 -2.844 1.977 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.589 -3.321 1.501 0.50 0.00 O ATOM 0 H TYR A 109 1.077 -1.240 6.239 0.50 0.00 H new ATOM 0 HA TYR A 109 1.960 -3.321 4.249 0.50 0.00 H new ATOM 0 HB2 TYR A 109 1.260 -0.349 3.840 0.50 0.00 H new ATOM 0 HB3 TYR A 109 2.106 -1.311 2.644 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.102 -0.954 4.499 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.944 -2.917 1.272 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.267 -1.809 3.644 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.224 -3.772 0.419 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.434 -3.854 0.694 0.50 0.00 H new ATOM 1679 N THR A 110 4.304 -2.336 4.263 0.50 0.00 N ATOM 1680 CA THR A 110 5.714 -1.961 4.572 0.50 0.00 C ATOM 1681 C THR A 110 6.471 -1.752 3.261 0.50 0.00 C ATOM 1682 O THR A 110 6.855 -2.696 2.602 0.50 0.00 O ATOM 1683 CB THR A 110 6.290 -3.145 5.350 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.404 -3.493 6.404 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.653 -2.761 5.930 0.50 0.00 C ATOM 0 H THR A 110 4.193 -2.977 3.477 0.50 0.00 H new ATOM 0 HA THR A 110 5.790 -1.039 5.149 0.50 0.00 H new ATOM 0 HB THR A 110 6.410 -3.997 4.681 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.771 -4.253 6.903 0.50 0.00 H new ATOM 0 HG21 THR A 110 8.063 -3.605 6.484 0.50 0.00 H new ATOM 0 HG22 THR A 110 8.331 -2.495 5.119 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.536 -1.909 6.600 0.50 0.00 H new ATOM 1693 N VAL A 111 6.672 -0.525 2.869 0.50 0.00 N ATOM 1694 CA VAL A 111 7.386 -0.265 1.589 0.50 0.00 C ATOM 1695 C VAL A 111 8.903 -0.325 1.802 0.50 0.00 C ATOM 1696 O VAL A 111 9.458 0.399 2.604 0.50 0.00 O ATOM 1697 CB VAL A 111 6.907 1.127 1.153 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.516 2.214 2.030 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.306 1.375 -0.297 0.50 0.00 C ATOM 0 H VAL A 111 6.374 0.307 3.378 0.50 0.00 H new ATOM 0 HA VAL A 111 7.173 -1.009 0.821 0.50 0.00 H new ATOM 0 HB VAL A 111 5.822 1.161 1.255 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.160 3.190 1.700 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.221 2.052 3.067 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.603 2.178 1.952 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.965 2.364 -0.604 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.391 1.320 -0.390 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.848 0.619 -0.935 0.50 0.00 H new ATOM 1709 N THR A 112 9.572 -1.204 1.102 0.50 0.00 N ATOM 1710 CA THR A 112 11.050 -1.336 1.275 0.50 0.00 C ATOM 1711 C THR A 112 11.801 -0.504 0.231 0.50 0.00 C ATOM 1712 O THR A 112 11.560 -0.611 -0.954 0.50 0.00 O ATOM 1713 CB THR A 112 11.333 -2.826 1.076 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.463 -3.585 1.902 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.785 -3.125 1.451 0.50 0.00 C ATOM 0 H THR A 112 9.159 -1.837 0.417 0.50 0.00 H new ATOM 0 HA THR A 112 11.380 -0.976 2.250 0.50 0.00 H new ATOM 0 HB THR A 112 11.168 -3.092 0.032 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.642 -4.540 1.775 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.986 -4.187 1.309 0.50 0.00 H new ATOM 0 HG22 THR A 112 13.452 -2.541 0.817 0.50 0.00 H new ATOM 0 HG23 THR A 112 12.953 -2.860 2.495 0.50 0.00 H new ATOM 1723 N VAL A 113 12.720 0.314 0.670 0.50 0.00 N ATOM 1724 CA VAL A 113 13.508 1.151 -0.282 0.50 0.00 C ATOM 1725 C VAL A 113 14.949 0.636 -0.341 0.50 0.00 C ATOM 1726 O VAL A 113 15.619 0.539 0.667 0.50 0.00 O ATOM 1727 CB VAL A 113 13.458 2.561 0.308 0.50 0.00 C ATOM 1728 CG1 VAL A 113 14.258 3.526 -0.569 0.50 0.00 C ATOM 1729 CG2 VAL A 113 12.001 3.029 0.380 0.50 0.00 C ATOM 0 H VAL A 113 12.960 0.439 1.653 0.50 0.00 H new ATOM 0 HA VAL A 113 13.116 1.125 -1.299 0.50 0.00 H new ATOM 0 HB VAL A 113 13.892 2.545 1.308 0.50 0.00 H new ATOM 0 HG11 VAL A 113 14.216 4.527 -0.140 0.50 0.00 H new ATOM 0 HG12 VAL A 113 15.296 3.196 -0.620 0.50 0.00 H new ATOM 0 HG13 VAL A 113 13.833 3.543 -1.573 0.50 0.00 H new ATOM 0 HG21 VAL A 113 11.962 4.034 0.800 0.50 0.00 H new ATOM 0 HG22 VAL A 113 11.572 3.038 -0.622 0.50 0.00 H new ATOM 0 HG23 VAL A 113 11.431 2.349 1.013 0.50 0.00 H new ATOM 1739 N LYS A 114 15.430 0.291 -1.506 0.50 0.00 N ATOM 1740 CA LYS A 114 16.828 -0.234 -1.606 0.50 0.00 C ATOM 1741 C LYS A 114 17.617 0.494 -2.701 0.50 0.00 C ATOM 1742 O LYS A 114 17.061 1.186 -3.532 0.50 0.00 O ATOM 1743 CB LYS A 114 16.668 -1.712 -1.961 0.50 0.00 C ATOM 1744 CG LYS A 114 16.004 -2.453 -0.795 0.50 0.00 C ATOM 1745 CD LYS A 114 14.821 -3.272 -1.315 0.50 0.00 C ATOM 1746 CE LYS A 114 15.339 -4.423 -2.181 0.50 0.00 C ATOM 1747 NZ LYS A 114 14.292 -5.479 -2.080 0.50 0.00 N ATOM 0 H LYS A 114 14.921 0.348 -2.388 0.50 0.00 H new ATOM 0 HA LYS A 114 17.381 -0.085 -0.679 0.50 0.00 H new ATOM 0 HB2 LYS A 114 16.064 -1.816 -2.862 0.50 0.00 H new ATOM 0 HB3 LYS A 114 17.642 -2.152 -2.177 0.50 0.00 H new ATOM 0 HG2 LYS A 114 16.727 -3.108 -0.308 0.50 0.00 H new ATOM 0 HG3 LYS A 114 15.664 -1.740 -0.044 0.50 0.00 H new ATOM 0 HD2 LYS A 114 14.241 -3.664 -0.480 0.50 0.00 H new ATOM 0 HD3 LYS A 114 14.153 -2.637 -1.897 0.50 0.00 H new ATOM 0 HE2 LYS A 114 15.483 -4.107 -3.214 0.50 0.00 H new ATOM 0 HE3 LYS A 114 16.302 -4.786 -1.822 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 14.574 -6.303 -2.648 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 14.182 -5.765 -1.086 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 13.388 -5.107 -2.435 0.50 0.00 H new ATOM 1761 N ASN A 115 18.915 0.328 -2.705 0.50 0.00 N ATOM 1762 CA ASN A 115 19.765 0.990 -3.739 0.50 0.00 C ATOM 1763 C ASN A 115 21.194 0.427 -3.667 0.50 0.00 C ATOM 1764 O ASN A 115 21.500 -0.358 -2.791 0.50 0.00 O ATOM 1765 CB ASN A 115 19.739 2.479 -3.387 0.50 0.00 C ATOM 1766 CG ASN A 115 19.122 3.276 -4.542 0.50 0.00 C ATOM 1767 OD1 ASN A 115 19.031 2.791 -5.652 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.695 4.490 -4.326 0.50 0.00 N ATOM 0 H ASN A 115 19.426 -0.242 -2.031 0.50 0.00 H new ATOM 0 HA ASN A 115 19.406 0.819 -4.754 0.50 0.00 H new ATOM 0 HB2 ASN A 115 19.162 2.636 -2.476 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.751 2.833 -3.189 0.50 0.00 H new ATOM 0 HD21 ASN A 115 18.286 5.030 -5.088 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.770 4.899 -3.395 0.50 0.00 H new ATOM 1775 N PRO A 116 22.021 0.830 -4.600 0.50 0.00 N ATOM 1776 CA PRO A 116 23.420 0.327 -4.646 0.50 0.00 C ATOM 1777 C PRO A 116 24.265 0.875 -3.489 0.50 0.00 C ATOM 1778 O PRO A 116 25.269 0.292 -3.125 0.50 0.00 O ATOM 1779 CB PRO A 116 23.939 0.834 -5.988 0.50 0.00 C ATOM 1780 CG PRO A 116 23.096 2.027 -6.302 0.50 0.00 C ATOM 1781 CD PRO A 116 21.746 1.782 -5.684 0.50 0.00 C ATOM 0 HA PRO A 116 23.472 -0.757 -4.546 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.994 1.101 -5.928 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.847 0.071 -6.761 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.546 2.935 -5.900 0.50 0.00 H new ATOM 0 HG3 PRO A 116 23.008 2.165 -7.380 0.50 0.00 H new ATOM 0 HD2 PRO A 116 21.307 2.705 -5.304 0.50 0.00 H new ATOM 0 HD3 PRO A 116 21.044 1.370 -6.409 0.50 0.00 H new ATOM 1789 N VAL A 117 23.885 1.982 -2.909 0.50 0.00 N ATOM 1790 CA VAL A 117 24.697 2.537 -1.785 0.50 0.00 C ATOM 1791 C VAL A 117 24.204 1.996 -0.440 0.50 0.00 C ATOM 1792 O VAL A 117 24.976 1.834 0.486 0.50 0.00 O ATOM 1793 CB VAL A 117 24.529 4.054 -1.860 0.50 0.00 C ATOM 1794 CG1 VAL A 117 25.366 4.711 -0.761 0.50 0.00 C ATOM 1795 CG2 VAL A 117 25.013 4.547 -3.224 0.50 0.00 C ATOM 0 H VAL A 117 23.057 2.522 -3.160 0.50 0.00 H new ATOM 0 HA VAL A 117 25.745 2.249 -1.867 0.50 0.00 H new ATOM 0 HB VAL A 117 23.479 4.314 -1.726 0.50 0.00 H new ATOM 0 HG11 VAL A 117 25.248 5.793 -0.812 0.50 0.00 H new ATOM 0 HG12 VAL A 117 25.031 4.355 0.213 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.416 4.453 -0.900 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.895 5.629 -3.283 0.50 0.00 H new ATOM 0 HG22 VAL A 117 26.064 4.289 -3.352 0.50 0.00 H new ATOM 0 HG23 VAL A 117 24.425 4.075 -4.011 0.50 0.00 H new ATOM 1805 N GLY A 118 22.933 1.707 -0.314 0.50 0.00 N ATOM 1806 CA GLY A 118 22.426 1.175 0.983 0.50 0.00 C ATOM 1807 C GLY A 118 20.980 0.711 0.823 0.50 0.00 C ATOM 1808 O GLY A 118 20.530 0.399 -0.263 0.50 0.00 O ATOM 0 H GLY A 118 22.232 1.816 -1.047 0.50 0.00 H new ATOM 0 HA2 GLY A 118 23.049 0.344 1.314 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.487 1.946 1.751 0.50 0.00 H new ATOM 1812 N GLU A 119 20.248 0.667 1.902 0.50 0.00 N ATOM 1813 CA GLU A 119 18.826 0.228 1.830 0.50 0.00 C ATOM 1814 C GLU A 119 18.014 0.905 2.937 0.50 0.00 C ATOM 1815 O GLU A 119 18.551 1.608 3.771 0.50 0.00 O ATOM 1816 CB GLU A 119 18.861 -1.286 2.044 0.50 0.00 C ATOM 1817 CG GLU A 119 19.419 -1.969 0.794 0.50 0.00 C ATOM 1818 CD GLU A 119 19.341 -3.486 0.964 0.50 0.00 C ATOM 1819 OE1 GLU A 119 18.237 -3.992 1.092 0.50 0.00 O ATOM 1820 OE2 GLU A 119 20.385 -4.118 0.966 0.50 0.00 O ATOM 0 H GLU A 119 20.576 0.918 2.835 0.50 0.00 H new ATOM 0 HA GLU A 119 18.360 0.492 0.880 0.50 0.00 H new ATOM 0 HB2 GLU A 119 19.479 -1.527 2.909 0.50 0.00 H new ATOM 0 HB3 GLU A 119 17.858 -1.657 2.256 0.50 0.00 H new ATOM 0 HG2 GLU A 119 18.853 -1.661 -0.085 0.50 0.00 H new ATOM 0 HG3 GLU A 119 20.452 -1.663 0.630 0.50 0.00 H new ATOM 1827 N ASP A 120 16.726 0.699 2.950 0.50 0.00 N ATOM 1828 CA ASP A 120 15.877 1.331 4.003 0.50 0.00 C ATOM 1829 C ASP A 120 14.476 0.718 3.988 0.50 0.00 C ATOM 1830 O ASP A 120 14.076 0.083 3.032 0.50 0.00 O ATOM 1831 CB ASP A 120 15.822 2.815 3.633 0.50 0.00 C ATOM 1832 CG ASP A 120 16.471 3.643 4.745 0.50 0.00 C ATOM 1833 OD1 ASP A 120 15.768 4.003 5.675 0.50 0.00 O ATOM 1834 OD2 ASP A 120 17.659 3.900 4.649 0.50 0.00 O ATOM 0 H ASP A 120 16.223 0.120 2.277 0.50 0.00 H new ATOM 0 HA ASP A 120 16.278 1.179 5.005 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.340 2.985 2.689 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.787 3.127 3.489 0.50 0.00 H new ATOM 1839 N GLN A 121 13.728 0.904 5.042 0.50 0.00 N ATOM 1840 CA GLN A 121 12.353 0.332 5.092 0.50 0.00 C ATOM 1841 C GLN A 121 11.416 1.265 5.863 0.50 0.00 C ATOM 1842 O GLN A 121 11.821 1.955 6.778 0.50 0.00 O ATOM 1843 CB GLN A 121 12.507 -1.000 5.826 0.50 0.00 C ATOM 1844 CG GLN A 121 11.142 -1.678 5.945 0.50 0.00 C ATOM 1845 CD GLN A 121 11.308 -3.054 6.592 0.50 0.00 C ATOM 1846 OE1 GLN A 121 10.640 -3.369 7.557 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.177 -3.894 6.099 0.50 0.00 N ATOM 0 H GLN A 121 14.010 1.428 5.871 0.50 0.00 H new ATOM 0 HA GLN A 121 11.923 0.204 4.099 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.200 -1.646 5.287 0.50 0.00 H new ATOM 0 HB3 GLN A 121 12.930 -0.835 6.817 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.470 -1.062 6.543 0.50 0.00 H new ATOM 0 HG3 GLN A 121 10.688 -1.781 4.959 0.50 0.00 H new ATOM 0 HE21 GLN A 121 12.738 -3.631 5.289 0.50 0.00 H new ATOM 0 HE22 GLN A 121 12.295 -4.814 6.524 0.50 0.00 H new ATOM 1856 N VAL A 122 10.164 1.280 5.500 0.50 0.00 N ATOM 1857 CA VAL A 122 9.178 2.153 6.203 0.50 0.00 C ATOM 1858 C VAL A 122 7.811 1.459 6.195 0.50 0.00 C ATOM 1859 O VAL A 122 7.550 0.596 5.379 0.50 0.00 O ATOM 1860 CB VAL A 122 9.150 3.486 5.421 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.419 3.240 3.938 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.780 4.158 5.574 0.50 0.00 C ATOM 0 H VAL A 122 9.777 0.721 4.740 0.50 0.00 H new ATOM 0 HA VAL A 122 9.442 2.339 7.244 0.50 0.00 H new ATOM 0 HB VAL A 122 9.926 4.136 5.827 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.396 4.189 3.402 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.399 2.779 3.818 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.654 2.576 3.535 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.771 5.096 5.019 0.50 0.00 H new ATOM 0 HG22 VAL A 122 7.005 3.498 5.183 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.589 4.358 6.628 0.50 0.00 H new ATOM 1872 N ASN A 123 6.945 1.817 7.102 0.50 0.00 N ATOM 1873 CA ASN A 123 5.604 1.161 7.149 0.50 0.00 C ATOM 1874 C ASN A 123 4.540 2.069 6.533 0.50 0.00 C ATOM 1875 O ASN A 123 4.553 3.271 6.711 0.50 0.00 O ATOM 1876 CB ASN A 123 5.313 0.934 8.632 0.50 0.00 C ATOM 1877 CG ASN A 123 6.460 0.146 9.270 0.50 0.00 C ATOM 1878 OD1 ASN A 123 6.941 -0.897 8.652 0.50 0.00 O flip ATOM 1879 ND2 ASN A 123 6.922 0.484 10.341 0.50 0.00 N flip ATOM 0 H ASN A 123 7.105 2.533 7.811 0.50 0.00 H new ATOM 0 HA ASN A 123 5.592 0.229 6.584 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.191 1.891 9.139 0.50 0.00 H new ATOM 0 HB3 ASN A 123 4.376 0.390 8.749 0.50 0.00 H new ATOM 0 HD21 ASN A 123 6.546 1.300 10.824 0.50 0.00 H new ATOM 0 HD22 ASN A 123 7.686 -0.048 10.757 0.50 0.00 H new ATOM 1886 N LEU A 124 3.615 1.495 5.815 0.50 0.00 N ATOM 1887 CA LEU A 124 2.537 2.307 5.181 0.50 0.00 C ATOM 1888 C LEU A 124 1.185 1.959 5.812 0.50 0.00 C ATOM 1889 O LEU A 124 0.775 0.816 5.834 0.50 0.00 O ATOM 1890 CB LEU A 124 2.579 1.921 3.694 0.50 0.00 C ATOM 1891 CG LEU A 124 1.318 2.419 2.965 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.692 3.532 1.986 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.688 1.262 2.184 0.50 0.00 C ATOM 0 H LEU A 124 3.559 0.492 5.639 0.50 0.00 H new ATOM 0 HA LEU A 124 2.676 3.379 5.318 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.467 2.348 3.228 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.657 0.838 3.597 0.50 0.00 H new ATOM 0 HG LEU A 124 0.609 2.800 3.700 0.50 0.00 H new ATOM 0 HD11 LEU A 124 0.796 3.881 1.473 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.143 4.360 2.532 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.404 3.149 1.254 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.205 1.615 1.668 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.403 0.884 1.454 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.416 0.463 2.874 0.50 0.00 H new ATOM 1905 N THR A 125 0.492 2.942 6.323 0.50 0.00 N ATOM 1906 CA THR A 125 -0.834 2.676 6.951 0.50 0.00 C ATOM 1907 C THR A 125 -1.954 3.147 6.020 0.50 0.00 C ATOM 1908 O THR A 125 -1.868 4.196 5.414 0.50 0.00 O ATOM 1909 CB THR A 125 -0.832 3.490 8.245 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.369 3.236 8.961 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.034 3.090 9.103 0.50 0.00 C ATOM 0 H THR A 125 0.788 3.918 6.332 0.50 0.00 H new ATOM 0 HA THR A 125 -0.999 1.616 7.141 0.50 0.00 H new ATOM 0 HB THR A 125 -0.896 4.552 8.007 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.372 3.759 9.790 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.032 3.671 10.025 0.50 0.00 H new ATOM 0 HG22 THR A 125 -2.955 3.285 8.553 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.973 2.028 9.342 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.000 2.378 5.902 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.124 2.781 5.008 0.50 0.00 C ATOM 1921 C VAL A 126 -5.449 2.761 5.779 0.50 0.00 C ATOM 1922 O VAL A 126 -5.570 2.120 6.805 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.134 1.739 3.884 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.251 0.337 4.482 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.327 1.998 2.960 0.50 0.00 C ATOM 0 H VAL A 126 -3.126 1.488 6.385 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.001 3.792 4.621 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.207 1.813 3.315 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.258 -0.401 3.680 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.402 0.150 5.140 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.176 0.261 5.053 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.335 1.258 2.160 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.252 1.925 3.531 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.244 2.996 2.530 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.441 3.459 5.292 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.757 3.481 5.996 0.50 0.00 C ATOM 1937 C LYS A 127 -8.889 3.702 4.989 0.50 0.00 C ATOM 1938 O LYS A 127 -8.749 4.448 4.040 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.666 4.657 6.970 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.694 4.476 8.089 0.50 0.00 C ATOM 1941 CD LYS A 127 -8.598 5.648 9.068 0.50 0.00 C ATOM 1942 CE LYS A 127 -8.785 5.138 10.499 0.50 0.00 C ATOM 1943 NZ LYS A 127 -7.405 4.902 11.007 0.50 0.00 N ATOM 0 H LYS A 127 -6.397 4.015 4.438 0.50 0.00 H new ATOM 0 HA LYS A 127 -7.968 2.543 6.510 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.662 4.717 7.391 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -7.848 5.594 6.443 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -9.698 4.421 7.669 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -8.516 3.536 8.612 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -7.630 6.139 8.970 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -9.358 6.393 8.834 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -9.312 5.869 11.113 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -9.375 4.221 10.518 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -7.450 4.550 11.985 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -6.930 4.197 10.407 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -6.870 5.793 10.984 0.50 0.00 H new ATOM 1957 N VAL A 128 -10.009 3.059 5.188 0.50 0.00 N ATOM 1958 CA VAL A 128 -11.146 3.233 4.239 0.50 0.00 C ATOM 1959 C VAL A 128 -12.401 3.694 4.985 0.50 0.00 C ATOM 1960 O VAL A 128 -12.913 3.007 5.846 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.377 1.853 3.620 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.512 1.943 2.601 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -10.103 1.379 2.917 0.50 0.00 C ATOM 0 H VAL A 128 -10.185 2.422 5.965 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.927 3.987 3.483 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.639 1.144 4.406 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.681 0.962 2.157 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.422 2.277 3.099 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -12.244 2.654 1.819 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.274 0.396 2.478 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.837 2.086 2.131 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.290 1.317 3.640 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.903 4.848 4.645 0.50 0.00 N ATOM 1974 CA ILE A 129 -14.128 5.363 5.310 0.50 0.00 C ATOM 1975 C ILE A 129 -15.337 5.126 4.401 0.50 0.00 C ATOM 1976 O ILE A 129 -15.191 4.825 3.232 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.864 6.859 5.490 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -12.704 7.064 6.473 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -15.118 7.543 6.031 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -13.052 6.442 7.829 0.50 0.00 C ATOM 0 H ILE A 129 -12.512 5.460 3.929 0.50 0.00 H new ATOM 0 HA ILE A 129 -14.341 4.873 6.260 0.50 0.00 H new ATOM 0 HB ILE A 129 -13.603 7.295 4.526 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -11.796 6.609 6.077 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -12.501 8.128 6.593 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -14.925 8.608 6.158 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -15.940 7.404 5.329 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -15.385 7.106 6.993 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -12.224 6.592 8.521 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -13.948 6.917 8.228 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -13.232 5.374 7.704 0.50 0.00 H new ATOM 1992 N ASP A 130 -16.526 5.256 4.925 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.739 5.035 4.082 0.50 0.00 C ATOM 1994 C ASP A 130 -18.704 6.215 4.225 0.50 0.00 C ATOM 1995 O ASP A 130 -19.190 6.428 5.325 0.50 0.00 O ATOM 1996 CB ASP A 130 -18.372 3.754 4.625 0.50 0.00 C ATOM 1997 CG ASP A 130 -19.474 3.286 3.672 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -19.291 3.424 2.474 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -20.482 2.799 4.157 0.50 0.00 O ATOM 2000 OXT ASP A 130 -18.941 6.884 3.233 0.50 0.00 O ATOM 0 H ASP A 130 -16.711 5.505 5.897 0.50 0.00 H new ATOM 0 HA ASP A 130 -17.496 4.951 3.023 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.614 2.978 4.731 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.786 3.933 5.617 0.50 0.00 H new