USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 910 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: 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : 1 6 SER OG : rot 28:sc= 0.0468 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ 135:sc= 0.0133 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot -40:sc= 0.947 USER MOD Single : 1 13 ASN : amide:sc= -0.298 K(o=-0.3,f=0.94) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc= -0.4 K(o=-0.4,f=-3.3!) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 165:sc= -0.521 (180deg=-0.864) USER MOD Single : 1 29 SER OG : rot 180:sc= -1.34! USER MOD Single : 1 31 GLN : amide:sc=-0.00663 X(o=-0.0066,f=-0.32) USER MOD Single : 1 32 THR OG1 : rot -50:sc= -2.75! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot 180:sc= 0 USER MOD Single : 1 42 SER OG : rot 180:sc= 0 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -149:sc= -4.22! USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.0074 USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= -0.548 USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 SER OG : rot -132:sc= 0.332! USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 88 SER OG : rot -40:sc= 0.553 USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.738) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 51:sc= 0.379 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 -33.320 19.055 16.622 1.00 0.00 N ATOM 2 CA MET 1 -3 -31.989 18.779 16.022 1.00 0.00 C ATOM 3 C MET 1 -3 -31.661 19.787 14.925 1.00 0.00 C ATOM 4 O MET 1 -3 -32.541 20.183 14.153 1.00 0.00 O ATOM 5 CB MET 1 -3 -31.948 17.359 15.449 1.00 0.00 C ATOM 6 CG MET 1 -3 -31.759 16.278 16.503 1.00 0.00 C ATOM 7 SD MET 1 -3 -30.159 16.385 17.328 1.00 0.00 S ATOM 8 CE MET 1 -3 -30.214 14.928 18.367 1.00 0.00 C ATOM 0 H1 MET 1 -3 -33.848 18.165 16.719 1.00 0.00 H new ATOM 0 H2 MET 1 -3 -33.195 19.487 17.560 1.00 0.00 H new ATOM 0 H3 MET 1 -3 -33.849 19.707 16.008 1.00 0.00 H new ATOM 0 HA MET 1 -3 -31.241 18.871 16.810 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 -32.875 17.168 14.908 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 -31.137 17.293 14.724 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 -32.553 16.358 17.246 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 -31.857 15.298 16.035 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 -29.291 14.856 18.942 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 -31.061 14.999 19.049 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 -30.324 14.041 17.744 1.00 0.00 H new ATOM 20 N HIS 1 -2 -30.389 20.194 14.870 1.00 0.00 N ATOM 21 CA HIS 1 -2 -29.915 21.153 13.872 1.00 0.00 C ATOM 22 C HIS 1 -2 -28.679 20.625 13.151 1.00 0.00 C ATOM 23 O HIS 1 -2 -27.748 20.123 13.788 1.00 0.00 O ATOM 24 CB HIS 1 -2 -29.599 22.499 14.533 1.00 0.00 C ATOM 25 CG HIS 1 -2 -30.808 23.352 14.769 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 -31.127 24.437 13.978 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 -31.776 23.281 15.714 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 -32.237 24.996 14.427 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 -32.650 24.313 15.478 1.00 0.00 N ATOM 0 H HIS 1 -2 -29.665 19.870 15.511 1.00 0.00 H new ATOM 0 HA HIS 1 -2 -30.708 21.294 13.138 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 -29.101 22.318 15.486 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 -28.896 23.046 13.905 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 -31.847 22.549 16.505 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 -32.723 25.864 14.006 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 -33.485 24.519 16.027 1.00 0.00 H new ATOM 38 N HIS 1 -1 -28.687 20.742 11.820 1.00 0.00 N ATOM 39 CA HIS 1 -1 -27.574 20.281 10.986 1.00 0.00 C ATOM 40 C HIS 1 -1 -26.716 21.448 10.491 1.00 0.00 C ATOM 41 O HIS 1 -1 -25.494 21.317 10.373 1.00 0.00 O ATOM 42 CB HIS 1 -1 -28.102 19.487 9.789 1.00 0.00 C ATOM 43 CG HIS 1 -1 -27.968 18.004 9.945 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 -26.799 17.323 9.677 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 -28.864 17.068 10.340 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 -26.981 16.033 9.900 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 -28.225 15.853 10.302 1.00 0.00 N ATOM 0 H HIS 1 -1 -29.458 21.155 11.294 1.00 0.00 H new ATOM 0 HA HIS 1 -1 -26.947 19.638 11.604 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 -29.152 19.734 9.635 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 -27.567 19.799 8.892 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 -29.889 17.244 10.630 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 -26.239 15.259 9.775 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 -28.644 14.956 10.545 1.00 0.00 H new ATOM 56 N HIS 1 0 -27.366 22.585 10.204 1.00 0.00 N ATOM 57 CA HIS 1 0 -26.676 23.783 9.710 1.00 0.00 C ATOM 58 C HIS 1 0 -26.193 24.683 10.853 1.00 0.00 C ATOM 59 O HIS 1 0 -25.121 25.288 10.756 1.00 0.00 O ATOM 60 CB HIS 1 0 -27.596 24.581 8.783 1.00 0.00 C ATOM 61 CG HIS 1 0 -27.799 23.946 7.441 1.00 0.00 C ATOM 62 ND1 HIS 1 0 -27.144 24.366 6.302 1.00 0.00 N ATOM 63 CD2 HIS 1 0 -28.594 22.918 7.058 1.00 0.00 C ATOM 64 CE1 HIS 1 0 -27.527 23.627 5.278 1.00 0.00 C ATOM 65 NE2 HIS 1 0 -28.406 22.740 5.709 1.00 0.00 N ATOM 0 H HIS 1 0 -28.374 22.699 10.307 1.00 0.00 H new ATOM 0 HA HIS 1 0 -25.800 23.444 9.158 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 -28.565 24.705 9.266 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 -27.180 25.579 8.644 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 -29.252 22.345 7.694 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 -27.181 23.730 4.260 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 -28.870 22.037 5.133 1.00 0.00 H new ATOM 74 N HIS 1 1 -26.988 24.763 11.928 1.00 0.00 N ATOM 75 CA HIS 1 1 -26.652 25.594 13.086 1.00 0.00 C ATOM 76 C HIS 1 1 -25.925 24.784 14.160 1.00 0.00 C ATOM 77 O HIS 1 1 -26.372 23.697 14.538 1.00 0.00 O ATOM 78 CB HIS 1 1 -27.920 26.219 13.671 1.00 0.00 C ATOM 79 CG HIS 1 1 -27.717 27.604 14.204 1.00 0.00 C ATOM 80 ND1 HIS 1 1 -27.879 28.737 13.433 1.00 0.00 N ATOM 81 CD2 HIS 1 1 -27.364 28.038 15.438 1.00 0.00 C ATOM 82 CE1 HIS 1 1 -27.634 29.807 14.169 1.00 0.00 C ATOM 83 NE2 HIS 1 1 -27.320 29.410 15.388 1.00 0.00 N ATOM 0 H HIS 1 1 -27.871 24.260 12.017 1.00 0.00 H new ATOM 0 HA HIS 1 1 -25.983 26.385 12.748 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 -28.691 26.245 12.901 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 -28.292 25.581 14.473 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 -27.156 27.421 16.300 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 -27.682 30.832 13.831 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 -27.083 30.023 16.168 1.00 0.00 H new ATOM 92 N HIS 1 2 -24.802 25.331 14.641 1.00 0.00 N ATOM 93 CA HIS 1 2 -23.991 24.682 15.674 1.00 0.00 C ATOM 94 C HIS 1 2 -24.121 25.414 17.008 1.00 0.00 C ATOM 95 O HIS 1 2 -24.319 26.632 17.037 1.00 0.00 O ATOM 96 CB HIS 1 2 -22.522 24.636 15.248 1.00 0.00 C ATOM 97 CG HIS 1 2 -22.236 23.636 14.167 1.00 0.00 C ATOM 98 ND1 HIS 1 2 -21.614 22.428 14.407 1.00 0.00 N ATOM 99 CD2 HIS 1 2 -22.483 23.672 12.836 1.00 0.00 C ATOM 100 CE1 HIS 1 2 -21.491 21.765 13.270 1.00 0.00 C ATOM 101 NE2 HIS 1 2 -22.010 22.497 12.303 1.00 0.00 N ATOM 0 H HIS 1 2 -24.433 26.229 14.327 1.00 0.00 H new ATOM 0 HA HIS 1 2 -24.358 23.663 15.800 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 -22.222 25.626 14.903 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 -21.908 24.402 16.118 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 -22.962 24.474 12.295 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 -21.042 20.790 13.153 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 -22.053 22.233 11.319 1.00 0.00 H new ATOM 110 N HIS 1 3 -24.006 24.659 18.105 1.00 0.00 N ATOM 111 CA HIS 1 3 -24.111 25.220 19.454 1.00 0.00 C ATOM 112 C HIS 1 3 -22.863 24.919 20.290 1.00 0.00 C ATOM 113 O HIS 1 3 -22.347 25.804 20.978 1.00 0.00 O ATOM 114 CB HIS 1 3 -25.358 24.680 20.164 1.00 0.00 C ATOM 115 CG HIS 1 3 -26.645 25.233 19.632 1.00 0.00 C ATOM 116 ND1 HIS 1 3 -27.368 24.626 18.625 1.00 0.00 N ATOM 117 CD2 HIS 1 3 -27.344 26.342 19.978 1.00 0.00 C ATOM 118 CE1 HIS 1 3 -28.454 25.338 18.375 1.00 0.00 C ATOM 119 NE2 HIS 1 3 -28.462 26.381 19.182 1.00 0.00 N ATOM 0 H HIS 1 3 -23.839 23.653 18.084 1.00 0.00 H new ATOM 0 HA HIS 1 3 -24.196 26.302 19.352 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 -25.375 23.594 20.073 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 -25.287 24.909 21.227 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 -27.072 27.060 20.737 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 -29.206 25.105 17.636 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 -29.183 27.102 19.210 1.00 0.00 H new ATOM 128 N SER 1 4 -22.378 23.669 20.215 1.00 0.00 N ATOM 129 CA SER 1 4 -21.197 23.237 20.973 1.00 0.00 C ATOM 130 C SER 1 4 -19.907 23.438 20.174 1.00 0.00 C ATOM 131 O SER 1 4 -19.775 22.937 19.053 1.00 0.00 O ATOM 132 CB SER 1 4 -21.340 21.767 21.376 1.00 0.00 C ATOM 133 OG SER 1 4 -22.478 21.571 22.197 1.00 0.00 O ATOM 0 H SER 1 4 -22.789 22.938 19.634 1.00 0.00 H new ATOM 0 HA SER 1 4 -21.133 23.855 21.869 1.00 0.00 H new ATOM 0 HB2 SER 1 4 -21.422 21.148 20.482 1.00 0.00 H new ATOM 0 HB3 SER 1 4 -20.445 21.444 21.907 1.00 0.00 H new ATOM 0 HG SER 1 4 -22.548 20.624 22.439 1.00 0.00 H new ATOM 139 N THR 1 5 -18.972 24.194 20.763 1.00 0.00 N ATOM 140 CA THR 1 5 -17.683 24.481 20.157 1.00 0.00 C ATOM 141 C THR 1 5 -16.624 23.455 20.568 1.00 0.00 C ATOM 142 O THR 1 5 -16.768 22.780 21.592 1.00 0.00 O ATOM 143 CB THR 1 5 -17.210 25.885 20.569 1.00 0.00 C ATOM 144 OG1 THR 1 5 -17.429 26.092 21.971 1.00 0.00 O ATOM 145 CG2 THR 1 5 -17.928 26.964 19.772 1.00 0.00 C ATOM 0 H THR 1 5 -19.098 24.623 21.680 1.00 0.00 H new ATOM 0 HA THR 1 5 -17.810 24.430 19.076 1.00 0.00 H new ATOM 0 HB THR 1 5 -16.143 25.953 20.356 1.00 0.00 H new ATOM 0 HG1 THR 1 5 -17.122 26.989 22.221 1.00 0.00 H new ATOM 0 HG21 THR 1 5 -17.572 27.945 20.086 1.00 0.00 H new ATOM 0 HG22 THR 1 5 -17.725 26.827 18.710 1.00 0.00 H new ATOM 0 HG23 THR 1 5 -19.001 26.893 19.949 1.00 0.00 H new ATOM 153 N SER 1 6 -15.555 23.357 19.764 1.00 0.00 N ATOM 154 CA SER 1 6 -14.454 22.421 20.024 1.00 0.00 C ATOM 155 C SER 1 6 -13.397 23.043 20.940 1.00 0.00 C ATOM 156 O SER 1 6 -12.942 24.166 20.699 1.00 0.00 O ATOM 157 CB SER 1 6 -13.811 21.979 18.706 1.00 0.00 C ATOM 158 OG SER 1 6 -13.415 23.097 17.927 1.00 0.00 O ATOM 0 H SER 1 6 -15.431 23.920 18.922 1.00 0.00 H new ATOM 0 HA SER 1 6 -14.870 21.550 20.531 1.00 0.00 H new ATOM 0 HB2 SER 1 6 -12.944 21.352 18.914 1.00 0.00 H new ATOM 0 HB3 SER 1 6 -14.516 21.370 18.141 1.00 0.00 H new ATOM 0 HG SER 1 6 -13.221 23.855 18.517 1.00 0.00 H new ATOM 164 N VAL 1 7 -13.017 22.299 21.985 1.00 0.00 N ATOM 165 CA VAL 1 7 -12.018 22.760 22.956 1.00 0.00 C ATOM 166 C VAL 1 7 -10.706 21.975 22.793 1.00 0.00 C ATOM 167 O VAL 1 7 -9.629 22.572 22.709 1.00 0.00 O ATOM 168 CB VAL 1 7 -12.535 22.630 24.425 1.00 0.00 C ATOM 169 CG1 VAL 1 7 -11.612 23.342 25.414 1.00 0.00 C ATOM 170 CG2 VAL 1 7 -13.955 23.172 24.566 1.00 0.00 C ATOM 0 H VAL 1 7 -13.389 21.370 22.181 1.00 0.00 H new ATOM 0 HA VAL 1 7 -11.834 23.816 22.756 1.00 0.00 H new ATOM 0 HB VAL 1 7 -12.540 21.566 24.661 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 -12.005 23.229 26.424 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 -10.615 22.904 25.361 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 -11.557 24.401 25.162 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 -14.284 23.066 25.600 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 -13.972 24.225 24.286 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 -14.625 22.612 23.913 1.00 0.00 H new ATOM 180 N ASP 1 8 -10.814 20.639 22.740 1.00 0.00 N ATOM 181 CA ASP 1 8 -9.648 19.755 22.602 1.00 0.00 C ATOM 182 C ASP 1 8 -9.233 19.589 21.137 1.00 0.00 C ATOM 183 O ASP 1 8 -10.063 19.269 20.280 1.00 0.00 O ATOM 184 CB ASP 1 8 -9.954 18.387 23.215 1.00 0.00 C ATOM 185 CG ASP 1 8 -8.795 17.848 24.031 1.00 0.00 C ATOM 186 OD1 ASP 1 8 -8.743 18.131 25.246 1.00 0.00 O ATOM 187 OD2 ASP 1 8 -7.940 17.143 23.455 1.00 0.00 O ATOM 0 H ASP 1 8 -11.705 20.145 22.791 1.00 0.00 H new ATOM 0 HA ASP 1 8 -8.816 20.217 23.134 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 -10.837 18.465 23.850 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 -10.195 17.681 22.420 1.00 0.00 H new ATOM 192 N LEU 1 9 -7.939 19.813 20.869 1.00 0.00 N ATOM 193 CA LEU 1 9 -7.378 19.694 19.518 1.00 0.00 C ATOM 194 C LEU 1 9 -6.878 18.267 19.250 1.00 0.00 C ATOM 195 O LEU 1 9 -6.688 17.484 20.186 1.00 0.00 O ATOM 196 CB LEU 1 9 -6.233 20.702 19.336 1.00 0.00 C ATOM 197 CG LEU 1 9 -6.314 21.570 18.073 1.00 0.00 C ATOM 198 CD1 LEU 1 9 -7.150 22.819 18.324 1.00 0.00 C ATOM 199 CD2 LEU 1 9 -4.920 21.951 17.599 1.00 0.00 C ATOM 0 H LEU 1 9 -7.256 20.080 21.578 1.00 0.00 H new ATOM 0 HA LEU 1 9 -8.167 19.914 18.799 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 -6.208 21.358 20.206 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 -5.290 20.156 19.321 1.00 0.00 H new ATOM 0 HG LEU 1 9 -6.800 20.987 17.291 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 -7.192 23.418 17.414 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 -8.160 22.529 18.615 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 -6.697 23.406 19.123 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 -4.996 22.566 16.703 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 -4.410 22.512 18.382 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 -4.353 21.048 17.372 1.00 0.00 H new ATOM 211 N GLY 1 10 -6.664 17.944 17.966 1.00 0.00 N ATOM 212 CA GLY 1 10 -6.198 16.620 17.585 1.00 0.00 C ATOM 213 C GLY 1 10 -4.957 16.669 16.718 1.00 0.00 C ATOM 214 O GLY 1 10 -5.015 16.371 15.521 1.00 0.00 O ATOM 0 H GLY 1 10 -6.808 18.583 17.184 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 -5.987 16.040 18.484 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 -6.992 16.099 17.049 1.00 0.00 H new ATOM 218 N THR 1 11 -3.836 17.052 17.334 1.00 0.00 N ATOM 219 CA THR 1 11 -2.544 17.139 16.638 1.00 0.00 C ATOM 220 C THR 1 11 -1.389 16.597 17.512 1.00 0.00 C ATOM 221 O THR 1 11 -0.211 16.802 17.199 1.00 0.00 O ATOM 222 CB THR 1 11 -2.249 18.601 16.167 1.00 0.00 C ATOM 223 OG1 THR 1 11 -1.025 18.645 15.420 1.00 0.00 O ATOM 224 CG2 THR 1 11 -2.165 19.593 17.332 1.00 0.00 C ATOM 0 H THR 1 11 -3.795 17.309 18.320 1.00 0.00 H new ATOM 0 HA THR 1 11 -2.612 16.508 15.752 1.00 0.00 H new ATOM 0 HB THR 1 11 -3.087 18.900 15.537 1.00 0.00 H new ATOM 0 HG1 THR 1 11 -0.363 18.058 15.842 1.00 0.00 H new ATOM 0 HG21 THR 1 11 -1.959 20.591 16.946 1.00 0.00 H new ATOM 0 HG22 THR 1 11 -3.112 19.601 17.872 1.00 0.00 H new ATOM 0 HG23 THR 1 11 -1.365 19.293 18.008 1.00 0.00 H new ATOM 232 N GLU 1 12 -1.747 15.889 18.593 1.00 0.00 N ATOM 233 CA GLU 1 12 -0.767 15.326 19.527 1.00 0.00 C ATOM 234 C GLU 1 12 -0.904 13.802 19.636 1.00 0.00 C ATOM 235 O GLU 1 12 0.090 13.072 19.599 1.00 0.00 O ATOM 236 CB GLU 1 12 -0.941 16.006 20.903 1.00 0.00 C ATOM 237 CG GLU 1 12 -0.039 15.465 22.005 1.00 0.00 C ATOM 238 CD GLU 1 12 -0.129 16.273 23.285 1.00 0.00 C ATOM 239 OE1 GLU 1 12 -0.910 15.885 24.179 1.00 0.00 O ATOM 240 OE2 GLU 1 12 0.580 17.295 23.392 1.00 0.00 O ATOM 0 H GLU 1 12 -2.717 15.693 18.841 1.00 0.00 H new ATOM 0 HA GLU 1 12 0.238 15.521 19.152 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 -0.752 17.074 20.791 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 -1.979 15.897 21.217 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 -0.309 14.430 22.214 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 0.993 15.461 21.655 1.00 0.00 H new ATOM 247 N ASN 1 13 -2.144 13.358 19.785 1.00 0.00 N ATOM 248 CA ASN 1 13 -2.491 11.938 19.928 1.00 0.00 C ATOM 249 C ASN 1 13 -2.409 11.146 18.598 1.00 0.00 C ATOM 250 O ASN 1 13 -2.816 9.979 18.544 1.00 0.00 O ATOM 251 CB ASN 1 13 -3.902 11.850 20.525 1.00 0.00 C ATOM 252 CG ASN 1 13 -4.170 10.597 21.297 1.00 0.00 C ATOM 253 OD1 ASN 1 13 -3.692 9.507 20.974 1.00 0.00 O ATOM 254 ND2 ASN 1 13 -4.948 10.766 22.338 1.00 0.00 N ATOM 0 H ASN 1 13 -2.954 13.977 19.811 1.00 0.00 H new ATOM 0 HA ASN 1 13 -1.757 11.474 20.587 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 -4.060 12.707 21.180 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 -4.630 11.928 19.718 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 -5.187 9.971 22.930 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 -5.314 11.693 22.556 1.00 0.00 H new ATOM 261 N LEU 1 14 -1.873 11.775 17.537 1.00 0.00 N ATOM 262 CA LEU 1 14 -1.736 11.119 16.223 1.00 0.00 C ATOM 263 C LEU 1 14 -0.512 10.185 16.179 1.00 0.00 C ATOM 264 O LEU 1 14 0.377 10.278 17.029 1.00 0.00 O ATOM 265 CB LEU 1 14 -1.677 12.166 15.081 1.00 0.00 C ATOM 266 CG LEU 1 14 -0.686 13.338 15.250 1.00 0.00 C ATOM 267 CD1 LEU 1 14 0.721 12.936 14.821 1.00 0.00 C ATOM 268 CD2 LEU 1 14 -1.149 14.545 14.444 1.00 0.00 C ATOM 0 H LEU 1 14 -1.528 12.735 17.563 1.00 0.00 H new ATOM 0 HA LEU 1 14 -2.623 10.503 16.072 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 -1.429 11.644 14.157 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 -2.676 12.584 14.953 1.00 0.00 H new ATOM 0 HG LEU 1 14 -0.660 13.603 16.307 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 1.397 13.781 14.951 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 1.063 12.101 15.432 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 0.711 12.638 13.773 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 -0.440 15.363 14.574 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 -1.206 14.278 13.389 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 -2.133 14.859 14.792 1.00 0.00 H new ATOM 280 N TYR 1 15 -0.471 9.307 15.159 1.00 0.00 N ATOM 281 CA TYR 1 15 0.621 8.335 14.987 1.00 0.00 C ATOM 282 C TYR 1 15 1.869 8.993 14.385 1.00 0.00 C ATOM 283 O TYR 1 15 1.810 9.582 13.301 1.00 0.00 O ATOM 284 CB TYR 1 15 0.161 7.175 14.095 1.00 0.00 C ATOM 285 CG TYR 1 15 -0.785 6.219 14.786 1.00 0.00 C ATOM 286 CD1 TYR 1 15 -2.156 6.447 14.795 1.00 0.00 C ATOM 287 CD2 TYR 1 15 -0.303 5.092 15.442 1.00 0.00 C ATOM 288 CE1 TYR 1 15 -3.019 5.580 15.438 1.00 0.00 C ATOM 289 CE2 TYR 1 15 -1.162 4.219 16.084 1.00 0.00 C ATOM 290 CZ TYR 1 15 -2.517 4.468 16.080 1.00 0.00 C ATOM 291 OH TYR 1 15 -3.374 3.602 16.720 1.00 0.00 O ATOM 0 H TYR 1 15 -1.189 9.253 14.437 1.00 0.00 H new ATOM 0 HA TYR 1 15 0.883 7.952 15.973 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 -0.328 7.580 13.209 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 1.036 6.623 13.751 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 -2.553 7.316 14.291 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 0.759 4.895 15.450 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 -4.082 5.773 15.438 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 -0.772 3.346 16.586 1.00 0.00 H new ATOM 0 HH TYR 1 15 -2.860 2.870 17.121 1.00 0.00 H new ATOM 301 N PHE 1 16 2.990 8.881 15.104 1.00 0.00 N ATOM 302 CA PHE 1 16 4.259 9.463 14.685 1.00 0.00 C ATOM 303 C PHE 1 16 5.238 8.405 14.149 1.00 0.00 C ATOM 304 O PHE 1 16 6.217 8.753 13.483 1.00 0.00 O ATOM 305 CB PHE 1 16 4.887 10.211 15.864 1.00 0.00 C ATOM 306 CG PHE 1 16 5.642 11.448 15.466 1.00 0.00 C ATOM 307 CD1 PHE 1 16 6.989 11.383 15.140 1.00 0.00 C ATOM 308 CD2 PHE 1 16 5.003 12.677 15.411 1.00 0.00 C ATOM 309 CE1 PHE 1 16 7.681 12.519 14.767 1.00 0.00 C ATOM 310 CE2 PHE 1 16 5.692 13.816 15.040 1.00 0.00 C ATOM 311 CZ PHE 1 16 7.033 13.737 14.717 1.00 0.00 C ATOM 0 H PHE 1 16 3.038 8.383 15.993 1.00 0.00 H new ATOM 0 HA PHE 1 16 4.056 10.154 13.867 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 4.101 10.487 16.567 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 5.563 9.538 16.390 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 7.502 10.434 15.178 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 3.955 12.745 15.661 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 8.729 12.454 14.514 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 5.182 14.767 15.003 1.00 0.00 H new ATOM 0 HZ PHE 1 16 7.573 14.626 14.426 1.00 0.00 H new ATOM 321 N GLN 1 17 4.957 7.119 14.425 1.00 0.00 N ATOM 322 CA GLN 1 17 5.818 6.006 13.987 1.00 0.00 C ATOM 323 C GLN 1 17 5.539 5.600 12.535 1.00 0.00 C ATOM 324 O GLN 1 17 4.408 5.720 12.055 1.00 0.00 O ATOM 325 CB GLN 1 17 5.631 4.793 14.905 1.00 0.00 C ATOM 326 CG GLN 1 17 6.274 4.953 16.276 1.00 0.00 C ATOM 327 CD GLN 1 17 6.030 3.756 17.175 1.00 0.00 C ATOM 328 OE1 GLN 1 17 5.047 3.711 17.916 1.00 0.00 O ATOM 329 NE2 GLN 1 17 6.928 2.779 17.117 1.00 0.00 N ATOM 0 H GLN 1 17 4.135 6.824 14.952 1.00 0.00 H new ATOM 0 HA GLN 1 17 6.849 6.355 14.046 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 4.565 4.608 15.034 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 6.051 3.913 14.418 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 7.347 5.100 16.155 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 5.881 5.850 16.756 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 7.728 2.858 16.489 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 6.818 1.950 17.701 1.00 0.00 H new ATOM 338 N SER 1 18 6.591 5.125 11.851 1.00 0.00 N ATOM 339 CA SER 1 18 6.499 4.692 10.451 1.00 0.00 C ATOM 340 C SER 1 18 6.221 3.188 10.344 1.00 0.00 C ATOM 341 O SER 1 18 6.452 2.439 11.298 1.00 0.00 O ATOM 342 CB SER 1 18 7.793 5.042 9.710 1.00 0.00 C ATOM 343 OG SER 1 18 8.029 6.439 9.726 1.00 0.00 O ATOM 0 H SER 1 18 7.524 5.031 12.252 1.00 0.00 H new ATOM 0 HA SER 1 18 5.663 5.219 9.991 1.00 0.00 H new ATOM 0 HB2 SER 1 18 8.632 4.523 10.173 1.00 0.00 H new ATOM 0 HB3 SER 1 18 7.731 4.692 8.679 1.00 0.00 H new ATOM 0 HG SER 1 18 8.862 6.636 9.248 1.00 0.00 H new ATOM 349 N ASN 1 19 5.724 2.758 9.170 1.00 0.00 N ATOM 350 CA ASN 1 19 5.403 1.349 8.914 1.00 0.00 C ATOM 351 C ASN 1 19 5.882 0.936 7.516 1.00 0.00 C ATOM 352 O ASN 1 19 5.102 0.885 6.557 1.00 0.00 O ATOM 353 CB ASN 1 19 3.893 1.096 9.067 1.00 0.00 C ATOM 354 CG ASN 1 19 3.447 0.945 10.487 1.00 0.00 C ATOM 355 OD1 ASN 1 19 3.951 1.588 11.410 1.00 0.00 O ATOM 356 ND2 ASN 1 19 2.482 0.073 10.658 1.00 0.00 N ATOM 0 H ASN 1 19 5.536 3.375 8.380 1.00 0.00 H new ATOM 0 HA ASN 1 19 5.925 0.739 9.652 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 3.348 1.922 8.611 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 3.627 0.195 8.515 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 2.111 -0.101 11.592 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 2.102 -0.431 9.857 1.00 0.00 H new ATOM 363 N ALA 1 20 7.182 0.656 7.418 1.00 0.00 N ATOM 364 CA ALA 1 20 7.813 0.258 6.162 1.00 0.00 C ATOM 365 C ALA 1 20 7.996 -1.255 6.089 1.00 0.00 C ATOM 366 O ALA 1 20 8.406 -1.887 7.068 1.00 0.00 O ATOM 367 CB ALA 1 20 9.146 0.972 6.011 1.00 0.00 C ATOM 0 H ALA 1 20 7.826 0.699 8.208 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.160 0.546 5.338 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 9.615 0.673 5.073 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 8.983 2.050 6.008 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 9.798 0.706 6.843 1.00 0.00 H new ATOM 373 N GLY 1 21 7.687 -1.821 4.920 1.00 0.00 N ATOM 374 CA GLY 1 21 7.810 -3.258 4.708 1.00 0.00 C ATOM 375 C GLY 1 21 6.669 -3.830 3.882 1.00 0.00 C ATOM 376 O GLY 1 21 6.644 -5.033 3.606 1.00 0.00 O ATOM 0 H GLY 1 21 7.350 -1.303 4.108 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 8.756 -3.468 4.208 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 7.842 -3.762 5.674 1.00 0.00 H new ATOM 380 N LYS 1 22 5.719 -2.963 3.499 1.00 0.00 N ATOM 381 CA LYS 1 22 4.560 -3.360 2.698 1.00 0.00 C ATOM 382 C LYS 1 22 4.878 -3.458 1.215 1.00 0.00 C ATOM 383 O LYS 1 22 5.711 -2.712 0.691 1.00 0.00 O ATOM 384 CB LYS 1 22 3.430 -2.353 2.884 1.00 0.00 C ATOM 385 CG LYS 1 22 2.471 -2.716 3.995 1.00 0.00 C ATOM 386 CD LYS 1 22 1.947 -1.468 4.682 1.00 0.00 C ATOM 387 CE LYS 1 22 0.909 -1.799 5.743 1.00 0.00 C ATOM 388 NZ LYS 1 22 0.430 -0.580 6.450 1.00 0.00 N ATOM 0 H LYS 1 22 5.736 -1.971 3.737 1.00 0.00 H new ATOM 0 HA LYS 1 22 4.263 -4.349 3.048 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 3.859 -1.373 3.092 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 2.875 -2.266 1.950 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 1.638 -3.291 3.590 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 2.974 -3.353 4.722 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 2.777 -0.931 5.141 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 1.508 -0.802 3.939 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 0.063 -2.305 5.278 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 1.337 -2.493 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 -0.276 -0.848 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 1.233 -0.111 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 -0.002 0.072 5.764 1.00 0.00 H new ATOM 402 N MET 1 23 4.188 -4.388 0.557 1.00 0.00 N ATOM 403 CA MET 1 23 4.321 -4.613 -0.860 1.00 0.00 C ATOM 404 C MET 1 23 2.990 -4.327 -1.553 1.00 0.00 C ATOM 405 O MET 1 23 1.948 -4.867 -1.193 1.00 0.00 O ATOM 406 CB MET 1 23 4.784 -6.042 -1.132 1.00 0.00 C ATOM 407 CG MET 1 23 6.295 -6.178 -1.290 1.00 0.00 C ATOM 408 SD MET 1 23 6.785 -7.676 -2.168 1.00 0.00 S ATOM 409 CE MET 1 23 7.150 -7.009 -3.792 1.00 0.00 C ATOM 0 H MET 1 23 3.516 -5.008 1.009 1.00 0.00 H new ATOM 0 HA MET 1 23 5.075 -3.936 -1.262 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.454 -6.683 -0.315 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.299 -6.405 -2.038 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.678 -5.309 -1.825 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.759 -6.174 -0.304 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.713 -7.743 -4.369 1.00 0.00 H new ATOM 0 HE2 MET 1 23 6.218 -6.778 -4.308 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.741 -6.099 -3.687 1.00 0.00 H new ATOM 419 N PHE 1 24 3.096 -3.520 -2.589 1.00 0.00 N ATOM 420 CA PHE 1 24 1.999 -3.036 -3.415 1.00 0.00 C ATOM 421 C PHE 1 24 1.796 -3.998 -4.594 1.00 0.00 C ATOM 422 O PHE 1 24 2.584 -4.016 -5.548 1.00 0.00 O ATOM 423 CB PHE 1 24 2.382 -1.618 -3.914 1.00 0.00 C ATOM 424 CG PHE 1 24 1.320 -0.797 -4.635 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.665 0.441 -5.156 1.00 0.00 C ATOM 426 CD2 PHE 1 24 0.007 -1.231 -4.789 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.737 1.224 -5.812 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -0.922 -0.448 -5.444 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.558 0.778 -5.956 1.00 0.00 C ATOM 0 H PHE 1 24 4.000 -3.162 -2.898 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.066 -2.988 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.720 -1.042 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.236 -1.720 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.678 0.799 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.288 -2.191 -4.392 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 1.026 2.185 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -1.938 -0.798 -5.555 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.287 1.388 -6.469 1.00 0.00 H new ATOM 439 N ILE 1 25 0.753 -4.812 -4.489 1.00 0.00 N ATOM 440 CA ILE 1 25 0.409 -5.804 -5.494 1.00 0.00 C ATOM 441 C ILE 1 25 -0.581 -5.218 -6.500 1.00 0.00 C ATOM 442 O ILE 1 25 -1.745 -4.964 -6.173 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.192 -7.063 -4.838 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.317 -7.259 -3.380 1.00 0.00 C ATOM 445 CG2 ILE 1 25 0.049 -8.306 -5.702 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.800 -7.587 -3.214 1.00 0.00 C ATOM 0 H ILE 1 25 0.116 -4.800 -3.693 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.322 -6.088 -6.017 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.270 -6.915 -4.773 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 0.104 -6.349 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.263 -8.060 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.386 -9.178 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.416 -8.167 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 1.121 -8.458 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 2.031 -7.700 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 2.028 -8.516 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.400 -6.779 -3.633 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.091 -5.005 -7.715 1.00 0.00 N ATOM 459 CA GLY 1 26 -0.892 -4.421 -8.768 1.00 0.00 C ATOM 460 C GLY 1 26 -1.482 -5.387 -9.766 1.00 0.00 C ATOM 461 O GLY 1 26 -0.981 -6.489 -9.961 1.00 0.00 O ATOM 0 H GLY 1 26 0.865 -5.232 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -1.707 -3.861 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.277 -3.702 -9.309 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.594 -4.942 -10.362 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.300 -5.691 -11.402 1.00 0.00 C ATOM 467 C GLY 1 27 -4.067 -6.920 -10.927 1.00 0.00 C ATOM 468 O GLY 1 27 -4.280 -7.838 -11.722 1.00 0.00 O ATOM 0 H GLY 1 27 -3.029 -4.048 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.000 -5.018 -11.897 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.575 -6.006 -12.153 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.513 -6.934 -9.656 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.256 -8.069 -9.089 1.00 0.00 C ATOM 474 C LEU 1 28 -6.533 -8.358 -9.900 1.00 0.00 C ATOM 475 O LEU 1 28 -6.923 -7.557 -10.757 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.629 -7.787 -7.621 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.470 -7.442 -6.674 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.009 -6.759 -5.431 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.687 -8.688 -6.279 1.00 0.00 C ATOM 0 H LEU 1 28 -4.369 -6.165 -9.001 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.610 -8.945 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.342 -6.963 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.144 -8.663 -7.225 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.792 -6.769 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.183 -6.516 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.527 -5.843 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.704 -7.426 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.874 -8.409 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.350 -9.389 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.276 -9.158 -7.172 1.00 0.00 H new ATOM 491 N SER 1 29 -7.198 -9.480 -9.602 1.00 0.00 N ATOM 492 CA SER 1 29 -8.390 -9.880 -10.301 1.00 0.00 C ATOM 493 C SER 1 29 -9.629 -9.525 -9.485 1.00 0.00 C ATOM 494 O SER 1 29 -9.539 -9.092 -8.332 1.00 0.00 O ATOM 495 CB SER 1 29 -8.336 -11.389 -10.583 1.00 0.00 C ATOM 496 OG SER 1 29 -9.244 -11.749 -11.607 1.00 0.00 O ATOM 0 H SER 1 29 -6.912 -10.126 -8.866 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.448 -9.346 -11.249 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.324 -11.672 -10.874 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.572 -11.941 -9.673 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.189 -12.714 -11.768 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.772 -9.750 -10.105 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.087 -9.485 -9.539 1.00 0.00 C ATOM 504 C TRP 1 30 -12.439 -10.509 -8.447 1.00 0.00 C ATOM 505 O TRP 1 30 -13.347 -10.295 -7.640 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.124 -9.541 -10.679 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.248 -10.893 -11.362 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.227 -11.670 -11.830 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.456 -11.620 -11.649 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.712 -12.829 -12.358 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -14.073 -12.823 -12.272 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.820 -11.380 -11.438 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.988 -13.777 -12.683 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.734 -12.334 -11.853 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.314 -13.520 -12.470 1.00 0.00 C ATOM 0 H TRP 1 30 -10.815 -10.135 -11.048 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.089 -8.500 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.098 -9.261 -10.279 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.861 -8.794 -11.428 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.181 -11.403 -11.788 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.147 -13.581 -12.754 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.152 -10.469 -10.961 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.666 -14.693 -13.156 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.789 -12.161 -11.698 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -17.051 -14.244 -12.783 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.691 -11.615 -8.456 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.879 -12.717 -7.522 1.00 0.00 C ATOM 528 C GLN 1 31 -10.897 -12.654 -6.361 1.00 0.00 C ATOM 529 O GLN 1 31 -11.173 -13.175 -5.275 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.687 -14.031 -8.269 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.789 -14.343 -9.271 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.633 -15.713 -9.892 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -12.040 -15.863 -10.960 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -13.159 -16.722 -9.214 1.00 0.00 N ATOM 0 H GLN 1 31 -10.932 -11.768 -9.120 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.886 -12.645 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.732 -14.002 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.629 -14.843 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.757 -14.281 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.786 -13.588 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.642 -16.548 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -13.081 -17.673 -9.573 1.00 0.00 H new ATOM 543 N THR 1 32 -9.757 -12.004 -6.599 1.00 0.00 N ATOM 544 CA THR 1 32 -8.695 -11.864 -5.600 1.00 0.00 C ATOM 545 C THR 1 32 -9.119 -10.986 -4.402 1.00 0.00 C ATOM 546 O THR 1 32 -9.356 -9.782 -4.542 1.00 0.00 O ATOM 547 CB THR 1 32 -7.432 -11.290 -6.252 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.334 -11.734 -7.611 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.169 -11.699 -5.498 1.00 0.00 C ATOM 0 H THR 1 32 -9.543 -11.559 -7.491 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.488 -12.861 -5.210 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.514 -10.204 -6.219 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.449 -12.707 -7.646 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.296 -11.272 -5.992 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.222 -11.332 -4.473 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.086 -12.786 -5.490 1.00 0.00 H new ATOM 557 N SER 1 33 -9.203 -11.635 -3.236 1.00 0.00 N ATOM 558 CA SER 1 33 -9.573 -10.997 -1.967 1.00 0.00 C ATOM 559 C SER 1 33 -8.331 -10.798 -1.090 1.00 0.00 C ATOM 560 O SER 1 33 -7.320 -11.467 -1.326 1.00 0.00 O ATOM 561 CB SER 1 33 -10.597 -11.871 -1.236 1.00 0.00 C ATOM 562 OG SER 1 33 -11.837 -11.885 -1.921 1.00 0.00 O ATOM 0 H SER 1 33 -9.013 -12.633 -3.145 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.012 -10.021 -2.173 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.215 -12.888 -1.148 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.742 -11.496 -0.223 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.473 -12.451 -1.435 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.353 -9.878 -0.064 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.192 -9.670 0.835 1.00 0.00 C ATOM 570 C PRO 1 34 -6.755 -10.960 1.529 1.00 0.00 C ATOM 571 O PRO 1 34 -5.591 -11.116 1.910 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.682 -8.629 1.855 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.169 -8.619 1.725 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.459 -8.954 0.291 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.312 -9.339 0.284 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.378 -8.896 2.867 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.262 -7.645 1.645 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.625 -9.347 2.396 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.578 -7.643 1.989 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.434 -9.428 0.176 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.461 -8.065 -0.339 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.716 -11.874 1.670 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.485 -13.189 2.267 1.00 0.00 C ATOM 584 C ASP 1 35 -6.852 -14.118 1.244 1.00 0.00 C ATOM 585 O ASP 1 35 -6.055 -14.990 1.582 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.784 -13.775 2.760 1.00 0.00 C ATOM 587 CG ASP 1 35 -8.987 -13.584 4.249 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.766 -14.552 5.007 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.363 -12.466 4.658 1.00 0.00 O ATOM 0 H ASP 1 35 -8.680 -11.722 1.372 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.808 -13.076 3.114 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.613 -13.313 2.223 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.808 -14.840 2.528 1.00 0.00 H new ATOM 594 N SER 1 36 -7.248 -13.904 -0.017 1.00 0.00 N ATOM 595 CA SER 1 36 -6.735 -14.658 -1.160 1.00 0.00 C ATOM 596 C SER 1 36 -5.286 -14.256 -1.423 1.00 0.00 C ATOM 597 O SER 1 36 -4.457 -15.088 -1.801 1.00 0.00 O ATOM 598 CB SER 1 36 -7.593 -14.399 -2.404 1.00 0.00 C ATOM 599 OG SER 1 36 -7.236 -15.268 -3.467 1.00 0.00 O ATOM 0 H SER 1 36 -7.938 -13.197 -0.271 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.779 -15.723 -0.933 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.646 -14.536 -2.157 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.473 -13.363 -2.722 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.800 -15.081 -4.246 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.001 -12.957 -1.205 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.695 -12.388 -1.361 1.00 0.00 C ATOM 607 C LEU 1 37 -2.779 -12.837 -0.223 1.00 0.00 C ATOM 608 O LEU 1 37 -1.588 -13.091 -0.425 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.889 -10.881 -1.341 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.636 -10.133 -2.651 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.033 -8.676 -2.510 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.185 -10.222 -3.089 1.00 0.00 C ATOM 0 H LEU 1 37 -5.704 -12.279 -0.910 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.224 -12.710 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.912 -10.675 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.230 -10.464 -0.580 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.248 -10.611 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -3.848 -8.156 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.092 -8.610 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.445 -8.214 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.053 -9.677 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.546 -9.786 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.913 -11.267 -3.237 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.376 -12.936 0.976 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.694 -13.387 2.175 1.00 0.00 C ATOM 626 C ARG 1 38 -2.427 -14.882 2.051 1.00 0.00 C ATOM 627 O ARG 1 38 -1.343 -15.353 2.381 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.549 -13.096 3.417 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.736 -12.773 4.665 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.589 -12.817 5.928 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.550 -11.705 5.999 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.075 -11.221 7.134 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -4.748 -11.733 8.318 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.938 -10.215 7.078 1.00 0.00 N ATOM 0 H ARG 1 38 -4.356 -12.700 1.130 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.750 -12.854 2.285 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.213 -12.259 3.201 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.182 -13.960 3.621 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -1.915 -13.484 4.757 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.291 -11.783 4.562 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.130 -13.763 5.964 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -2.939 -12.787 6.803 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.837 -11.271 5.122 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.087 -12.508 8.374 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.158 -11.351 9.170 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -6.198 -9.815 6.176 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.342 -9.841 7.937 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.438 -15.613 1.541 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.342 -17.053 1.318 1.00 0.00 C ATOM 650 C ASP 1 39 -2.338 -17.394 0.208 1.00 0.00 C ATOM 651 O ASP 1 39 -1.569 -18.351 0.342 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.712 -17.629 0.962 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.456 -18.148 2.177 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -5.497 -19.382 2.363 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.993 -17.321 2.942 1.00 0.00 O ATOM 0 H ASP 1 39 -4.339 -15.214 1.275 1.00 0.00 H new ATOM 0 HA ASP 1 39 -2.986 -17.500 2.246 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.311 -16.860 0.474 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.587 -18.439 0.243 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.321 -16.583 -0.873 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.430 -16.809 -2.005 1.00 0.00 C ATOM 662 C TYR 1 40 0.028 -16.486 -1.651 1.00 0.00 C ATOM 663 O TYR 1 40 0.921 -17.313 -1.837 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.884 -15.977 -3.214 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.625 -16.653 -4.543 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -2.468 -17.655 -5.008 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -0.534 -16.300 -5.325 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -2.230 -18.286 -6.214 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -0.290 -16.924 -6.534 1.00 0.00 C ATOM 670 CZ TYR 1 40 -1.141 -17.917 -6.973 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.901 -18.542 -8.175 1.00 0.00 O ATOM 0 H TYR 1 40 -2.922 -15.765 -0.974 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.481 -17.867 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -2.950 -15.769 -3.123 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.370 -15.016 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 -3.324 -17.946 -4.417 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 0.136 -15.525 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 -2.894 -19.064 -6.560 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 0.562 -16.636 -7.132 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.095 -18.164 -8.585 1.00 0.00 H new ATOM 681 N PHE 1 41 0.241 -15.280 -1.112 1.00 0.00 N ATOM 682 CA PHE 1 41 1.558 -14.788 -0.739 1.00 0.00 C ATOM 683 C PHE 1 41 2.154 -15.476 0.499 1.00 0.00 C ATOM 684 O PHE 1 41 3.378 -15.517 0.650 1.00 0.00 O ATOM 685 CB PHE 1 41 1.483 -13.287 -0.597 1.00 0.00 C ATOM 686 CG PHE 1 41 1.600 -12.593 -1.929 1.00 0.00 C ATOM 687 CD1 PHE 1 41 2.823 -12.120 -2.384 1.00 0.00 C ATOM 688 CD2 PHE 1 41 0.487 -12.446 -2.745 1.00 0.00 C ATOM 689 CE1 PHE 1 41 2.936 -11.515 -3.619 1.00 0.00 C ATOM 690 CE2 PHE 1 41 0.599 -11.836 -3.985 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.823 -11.372 -4.420 1.00 0.00 C ATOM 0 H PHE 1 41 -0.510 -14.616 -0.923 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.259 -15.045 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.539 -13.013 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.280 -12.944 0.063 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 3.699 -12.227 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 -0.474 -12.810 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 3.896 -11.154 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 -0.274 -11.724 -4.611 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.909 -10.898 -5.386 1.00 0.00 H new ATOM 701 N SER 1 42 1.283 -16.013 1.392 1.00 0.00 N ATOM 702 CA SER 1 42 1.732 -16.722 2.618 1.00 0.00 C ATOM 703 C SER 1 42 2.521 -17.954 2.228 1.00 0.00 C ATOM 704 O SER 1 42 3.223 -18.574 3.032 1.00 0.00 O ATOM 705 CB SER 1 42 0.545 -17.135 3.494 1.00 0.00 C ATOM 706 OG SER 1 42 0.973 -17.543 4.783 1.00 0.00 O ATOM 0 H SER 1 42 0.269 -15.969 1.286 1.00 0.00 H new ATOM 0 HA SER 1 42 2.358 -16.040 3.193 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.149 -16.300 3.586 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.002 -17.949 3.014 1.00 0.00 H new ATOM 0 HG SER 1 42 0.195 -17.799 5.320 1.00 0.00 H new ATOM 712 N LYS 1 43 2.369 -18.259 0.955 1.00 0.00 N ATOM 713 CA LYS 1 43 2.997 -19.390 0.302 1.00 0.00 C ATOM 714 C LYS 1 43 4.441 -19.076 -0.121 1.00 0.00 C ATOM 715 O LYS 1 43 5.206 -19.983 -0.462 1.00 0.00 O ATOM 716 CB LYS 1 43 2.154 -19.786 -0.903 1.00 0.00 C ATOM 717 CG LYS 1 43 0.963 -20.674 -0.562 1.00 0.00 C ATOM 718 CD LYS 1 43 1.039 -22.009 -1.287 1.00 0.00 C ATOM 719 CE LYS 1 43 -0.140 -22.902 -0.935 1.00 0.00 C ATOM 720 NZ LYS 1 43 -0.113 -24.182 -1.695 1.00 0.00 N ATOM 0 H LYS 1 43 1.785 -17.708 0.326 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.051 -20.220 1.007 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.792 -18.882 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.788 -20.306 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 0.931 -20.844 0.514 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.038 -20.164 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.059 -21.839 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 1.969 -22.513 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 -0.128 -23.114 0.134 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -1.070 -22.375 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.933 -24.762 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 -0.150 -23.981 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 0.763 -24.698 -1.475 1.00 0.00 H new ATOM 734 N PHE 1 44 4.794 -17.782 -0.092 1.00 0.00 N ATOM 735 CA PHE 1 44 6.139 -17.311 -0.445 1.00 0.00 C ATOM 736 C PHE 1 44 6.917 -16.936 0.815 1.00 0.00 C ATOM 737 O PHE 1 44 8.144 -17.069 0.870 1.00 0.00 O ATOM 738 CB PHE 1 44 6.054 -16.103 -1.364 1.00 0.00 C ATOM 739 CG PHE 1 44 6.948 -16.200 -2.565 1.00 0.00 C ATOM 740 CD1 PHE 1 44 8.268 -15.776 -2.505 1.00 0.00 C ATOM 741 CD2 PHE 1 44 6.473 -16.736 -3.749 1.00 0.00 C ATOM 742 CE1 PHE 1 44 9.095 -15.889 -3.607 1.00 0.00 C ATOM 743 CE2 PHE 1 44 7.292 -16.849 -4.854 1.00 0.00 C ATOM 744 CZ PHE 1 44 8.604 -16.427 -4.783 1.00 0.00 C ATOM 0 H PHE 1 44 4.155 -17.034 0.177 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.658 -18.118 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 5.023 -15.982 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.314 -15.208 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 8.653 -15.354 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 5.448 -17.070 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 10.122 -15.558 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 6.907 -17.267 -5.772 1.00 0.00 H new ATOM 0 HZ PHE 1 44 9.247 -16.517 -5.646 1.00 0.00 H new ATOM 754 N GLY 1 45 6.170 -16.472 1.819 1.00 0.00 N ATOM 755 CA GLY 1 45 6.711 -16.078 3.086 1.00 0.00 C ATOM 756 C GLY 1 45 5.599 -15.880 4.083 1.00 0.00 C ATOM 757 O GLY 1 45 4.468 -16.327 3.859 1.00 0.00 O ATOM 0 H GLY 1 45 5.158 -16.364 1.756 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.403 -16.839 3.447 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.281 -15.155 2.976 1.00 0.00 H new ATOM 761 N GLU 1 46 5.908 -15.199 5.168 1.00 0.00 N ATOM 762 CA GLU 1 46 4.954 -14.928 6.201 1.00 0.00 C ATOM 763 C GLU 1 46 4.462 -13.499 6.115 1.00 0.00 C ATOM 764 O GLU 1 46 5.241 -12.548 5.998 1.00 0.00 O ATOM 765 CB GLU 1 46 5.516 -15.214 7.588 1.00 0.00 C ATOM 766 CG GLU 1 46 4.422 -15.325 8.640 1.00 0.00 C ATOM 767 CD GLU 1 46 4.931 -15.834 9.974 1.00 0.00 C ATOM 768 OE1 GLU 1 46 4.871 -17.060 10.204 1.00 0.00 O ATOM 769 OE2 GLU 1 46 5.391 -15.006 10.789 1.00 0.00 O ATOM 0 H GLU 1 46 6.837 -14.819 5.350 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.111 -15.601 6.044 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 6.088 -16.141 7.562 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.208 -14.420 7.868 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.962 -14.347 8.782 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.642 -15.994 8.276 1.00 0.00 H new ATOM 776 N ILE 1 47 3.159 -13.400 6.198 1.00 0.00 N ATOM 777 CA ILE 1 47 2.442 -12.128 6.136 1.00 0.00 C ATOM 778 C ILE 1 47 1.895 -11.730 7.501 1.00 0.00 C ATOM 779 O ILE 1 47 1.384 -12.560 8.258 1.00 0.00 O ATOM 780 CB ILE 1 47 1.307 -12.157 5.082 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.901 -12.435 3.713 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.509 -10.848 5.043 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.165 -13.490 2.896 1.00 0.00 C ATOM 0 H ILE 1 47 2.547 -14.208 6.313 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.165 -11.373 5.826 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.614 -12.949 5.366 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.919 -11.505 3.145 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.936 -12.752 3.840 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.274 -10.921 4.288 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.057 -10.668 6.018 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.176 -10.022 4.795 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.663 -13.619 1.935 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.169 -14.437 3.436 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.136 -13.170 2.731 1.00 0.00 H new ATOM 795 N ARG 1 48 2.046 -10.442 7.788 1.00 0.00 N ATOM 796 CA ARG 1 48 1.572 -9.824 9.013 1.00 0.00 C ATOM 797 C ARG 1 48 0.123 -9.365 8.840 1.00 0.00 C ATOM 798 O ARG 1 48 -0.715 -9.547 9.728 1.00 0.00 O ATOM 799 CB ARG 1 48 2.460 -8.619 9.313 1.00 0.00 C ATOM 800 CG ARG 1 48 2.650 -8.330 10.790 1.00 0.00 C ATOM 801 CD ARG 1 48 3.807 -7.369 11.023 1.00 0.00 C ATOM 802 NE ARG 1 48 4.091 -7.180 12.451 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.254 -6.727 12.944 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.267 -6.407 12.140 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.403 -6.596 14.255 1.00 0.00 N ATOM 0 H ARG 1 48 2.512 -9.787 7.160 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.614 -10.540 9.834 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.437 -8.782 8.859 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.030 -7.739 8.836 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.734 -7.905 11.200 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.836 -9.262 11.324 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.699 -7.749 10.524 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.574 -6.405 10.570 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.352 -7.409 13.115 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 6.167 -6.505 11.130 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 7.143 -6.064 12.535 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.636 -6.839 14.882 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.284 -6.252 14.636 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.147 -8.788 7.659 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.458 -8.264 7.294 1.00 0.00 C ATOM 821 C GLU 1 49 -1.507 -8.037 5.786 1.00 0.00 C ATOM 822 O GLU 1 49 -0.476 -7.887 5.142 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.752 -6.942 8.033 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.235 -6.665 8.248 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.483 -5.378 9.011 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.566 -5.434 10.255 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.590 -4.316 8.364 1.00 0.00 O ATOM 0 H GLU 1 49 0.553 -8.674 6.926 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.217 -8.990 7.585 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.253 -6.961 9.002 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.318 -6.118 7.467 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.735 -6.612 7.281 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.681 -7.497 8.792 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.717 -8.018 5.250 1.00 0.00 N ATOM 835 CA CYS 1 50 -2.960 -7.797 3.846 1.00 0.00 C ATOM 836 C CYS 1 50 -4.106 -6.814 3.684 1.00 0.00 C ATOM 837 O CYS 1 50 -5.010 -6.737 4.523 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.248 -9.108 3.108 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.654 -8.913 1.354 1.00 0.00 S ATOM 0 H CYS 1 50 -3.568 -8.159 5.794 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.060 -7.376 3.398 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.377 -9.758 3.196 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.075 -9.615 3.605 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.471 -9.856 0.990 1.00 0.00 H new ATOM 845 N MET 1 51 -4.048 -6.076 2.588 1.00 0.00 N ATOM 846 CA MET 1 51 -5.024 -5.045 2.276 1.00 0.00 C ATOM 847 C MET 1 51 -5.286 -4.944 0.777 1.00 0.00 C ATOM 848 O MET 1 51 -4.371 -5.001 -0.043 1.00 0.00 O ATOM 849 CB MET 1 51 -4.544 -3.698 2.818 1.00 0.00 C ATOM 850 CG MET 1 51 -5.482 -2.519 2.579 1.00 0.00 C ATOM 851 SD MET 1 51 -4.835 -0.975 3.251 1.00 0.00 S ATOM 852 CE MET 1 51 -5.940 0.216 2.498 1.00 0.00 C ATOM 0 H MET 1 51 -3.317 -6.176 1.884 1.00 0.00 H new ATOM 0 HA MET 1 51 -5.964 -5.320 2.754 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.379 -3.796 3.891 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.579 -3.468 2.367 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.650 -2.403 1.508 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.450 -2.731 3.032 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -5.665 1.221 2.819 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -5.863 0.148 1.413 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -6.965 0.005 2.803 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.565 -4.833 0.469 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.069 -4.647 -0.886 1.00 0.00 C ATOM 864 C VAL 1 52 -8.010 -3.445 -0.869 1.00 0.00 C ATOM 865 O VAL 1 52 -8.963 -3.392 -0.086 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.780 -5.900 -1.427 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.279 -5.718 -2.860 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.859 -7.100 -1.356 1.00 0.00 C ATOM 0 H VAL 1 52 -7.304 -4.870 1.171 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.231 -4.470 -1.560 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.652 -6.065 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.772 -6.631 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -8.986 -4.889 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.435 -5.503 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.376 -7.979 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -5.968 -6.911 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.569 -7.276 -0.320 1.00 0.00 H new ATOM 878 N MET 1 53 -7.711 -2.496 -1.740 1.00 0.00 N ATOM 879 CA MET 1 53 -8.458 -1.234 -1.859 1.00 0.00 C ATOM 880 C MET 1 53 -9.866 -1.420 -2.429 1.00 0.00 C ATOM 881 O MET 1 53 -10.042 -1.863 -3.569 1.00 0.00 O ATOM 882 CB MET 1 53 -7.672 -0.228 -2.709 1.00 0.00 C ATOM 883 CG MET 1 53 -6.940 0.827 -1.891 1.00 0.00 C ATOM 884 SD MET 1 53 -8.025 1.751 -0.785 1.00 0.00 S ATOM 885 CE MET 1 53 -6.874 2.945 -0.106 1.00 0.00 C ATOM 0 H MET 1 53 -6.935 -2.572 -2.397 1.00 0.00 H new ATOM 0 HA MET 1 53 -8.578 -0.847 -0.847 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -6.948 -0.769 -3.319 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.358 0.269 -3.395 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.159 0.344 -1.303 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.445 1.523 -2.568 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -7.395 3.593 0.599 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.069 2.422 0.409 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -6.457 3.548 -0.913 1.00 0.00 H new ATOM 895 N ARG 1 54 -10.857 -1.080 -1.598 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.269 -1.174 -1.961 1.00 0.00 C ATOM 897 C ARG 1 54 -13.030 0.062 -1.486 1.00 0.00 C ATOM 898 O ARG 1 54 -12.660 0.674 -0.478 1.00 0.00 O ATOM 899 CB ARG 1 54 -12.891 -2.434 -1.352 1.00 0.00 C ATOM 900 CG ARG 1 54 -12.735 -3.672 -2.219 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.480 -4.858 -1.629 1.00 0.00 C ATOM 902 NE ARG 1 54 -13.412 -6.039 -2.496 1.00 0.00 N ATOM 903 CZ ARG 1 54 -14.474 -6.642 -3.053 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -15.710 -6.190 -2.849 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -14.294 -7.708 -3.820 1.00 0.00 N ATOM 0 H ARG 1 54 -10.699 -0.731 -0.653 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.339 -1.232 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.433 -2.621 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -13.952 -2.256 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -13.111 -3.466 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -11.678 -3.917 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.060 -5.101 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.523 -4.587 -1.468 1.00 0.00 H new ATOM 0 HE ARG 1 54 -12.490 -6.431 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -15.863 -5.371 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -16.504 -6.663 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -13.353 -8.065 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -15.097 -8.171 -4.246 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.097 0.414 -2.209 1.00 0.00 N ATOM 920 CA ASP 1 55 -14.916 1.555 -1.891 1.00 0.00 C ATOM 921 C ASP 1 55 -16.256 1.108 -1.298 1.00 0.00 C ATOM 922 O ASP 1 55 -17.029 0.442 -1.984 1.00 0.00 O ATOM 923 CB ASP 1 55 -15.160 2.375 -3.141 1.00 0.00 C ATOM 924 CG ASP 1 55 -14.120 3.458 -3.347 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -13.078 3.170 -3.974 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -14.346 4.595 -2.882 1.00 0.00 O ATOM 0 H ASP 1 55 -14.407 -0.098 -3.035 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.393 2.163 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.166 1.714 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -16.147 2.833 -3.082 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.560 1.434 -0.010 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.848 1.060 0.618 1.00 0.00 C ATOM 933 C PRO 1 56 -19.068 1.723 -0.049 1.00 0.00 C ATOM 934 O PRO 1 56 -20.211 1.375 0.264 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.710 1.556 2.065 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.248 1.742 2.282 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.678 2.133 0.949 1.00 0.00 C ATOM 0 HA PRO 1 56 -18.026 -0.011 0.527 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -18.251 2.491 2.213 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -18.123 0.833 2.769 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -16.059 2.514 3.028 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.788 0.824 2.649 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.699 3.213 0.803 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.640 1.817 0.846 1.00 0.00 H new ATOM 945 N THR 1 57 -18.812 2.676 -0.964 1.00 0.00 N ATOM 946 CA THR 1 57 -19.871 3.400 -1.666 1.00 0.00 C ATOM 947 C THR 1 57 -20.426 2.621 -2.863 1.00 0.00 C ATOM 948 O THR 1 57 -21.644 2.558 -3.057 1.00 0.00 O ATOM 949 CB THR 1 57 -19.392 4.785 -2.155 1.00 0.00 C ATOM 950 OG1 THR 1 57 -18.133 4.663 -2.829 1.00 0.00 O ATOM 951 CG2 THR 1 57 -19.261 5.761 -0.994 1.00 0.00 C ATOM 0 H THR 1 57 -17.869 2.960 -1.231 1.00 0.00 H new ATOM 0 HA THR 1 57 -20.668 3.527 -0.933 1.00 0.00 H new ATOM 0 HB THR 1 57 -20.138 5.173 -2.849 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -17.840 5.546 -3.136 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -18.922 6.727 -1.368 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -20.229 5.879 -0.507 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -18.538 5.376 -0.275 1.00 0.00 H new ATOM 959 N THR 1 58 -19.521 2.031 -3.656 1.00 0.00 N ATOM 960 CA THR 1 58 -19.902 1.260 -4.848 1.00 0.00 C ATOM 961 C THR 1 58 -19.471 -0.206 -4.757 1.00 0.00 C ATOM 962 O THR 1 58 -19.887 -1.032 -5.573 1.00 0.00 O ATOM 963 CB THR 1 58 -19.306 1.880 -6.133 1.00 0.00 C ATOM 964 OG1 THR 1 58 -17.874 1.929 -6.043 1.00 0.00 O ATOM 965 CG2 THR 1 58 -19.845 3.286 -6.358 1.00 0.00 C ATOM 0 H THR 1 58 -18.515 2.073 -3.492 1.00 0.00 H new ATOM 0 HA THR 1 58 -20.990 1.298 -4.894 1.00 0.00 H new ATOM 0 HB THR 1 58 -19.597 1.252 -6.975 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -17.508 2.322 -6.863 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -19.411 3.701 -7.268 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -20.930 3.248 -6.458 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -19.581 3.917 -5.510 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.630 -0.522 -3.749 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.099 -1.891 -3.493 1.00 0.00 C ATOM 975 C LYS 1 59 -17.259 -2.418 -4.672 1.00 0.00 C ATOM 976 O LYS 1 59 -16.906 -3.601 -4.726 1.00 0.00 O ATOM 977 CB LYS 1 59 -19.240 -2.877 -3.168 1.00 0.00 C ATOM 978 CG LYS 1 59 -20.361 -2.277 -2.329 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.090 -2.385 -0.834 1.00 0.00 C ATOM 980 CE LYS 1 59 -21.187 -1.714 -0.023 1.00 0.00 C ATOM 981 NZ LYS 1 59 -20.916 -1.773 1.440 1.00 0.00 N ATOM 0 H LYS 1 59 -18.293 0.169 -3.079 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.442 -1.816 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.660 -3.251 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -18.825 -3.735 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -20.490 -1.228 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -21.297 -2.784 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.016 -3.435 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -19.130 -1.924 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -21.281 -0.673 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -22.141 -2.197 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -21.688 -1.304 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -20.852 -2.766 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -20.019 -1.290 1.647 1.00 0.00 H new ATOM 995 N ARG 1 60 -16.925 -1.508 -5.591 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.130 -1.836 -6.783 1.00 0.00 C ATOM 997 C ARG 1 60 -14.630 -1.652 -6.536 1.00 0.00 C ATOM 998 O ARG 1 60 -14.203 -0.627 -5.997 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.561 -0.966 -7.968 1.00 0.00 C ATOM 1000 CG ARG 1 60 -17.924 -1.335 -8.534 1.00 0.00 C ATOM 1001 CD ARG 1 60 -18.173 -0.657 -9.872 1.00 0.00 C ATOM 1002 NE ARG 1 60 -19.421 -1.111 -10.496 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -19.573 -1.359 -11.805 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -18.561 -1.205 -12.657 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -20.749 -1.766 -12.262 1.00 0.00 N ATOM 0 H ARG 1 60 -17.196 -0.526 -5.533 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.311 -2.886 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.578 0.078 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -15.815 -1.049 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -17.988 -2.416 -8.655 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.703 -1.046 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -18.211 0.423 -9.729 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -17.338 -0.861 -10.542 1.00 0.00 H new ATOM 0 HE ARG 1 60 -20.231 -1.248 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -17.651 -0.894 -12.317 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -18.696 -1.399 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -21.531 -1.889 -11.619 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -20.872 -1.956 -13.257 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.847 -2.661 -6.941 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.387 -2.643 -6.790 1.00 0.00 C ATOM 1021 C SER 1 61 -11.714 -2.186 -8.088 1.00 0.00 C ATOM 1022 O SER 1 61 -12.295 -2.314 -9.170 1.00 0.00 O ATOM 1023 CB SER 1 61 -11.879 -4.034 -6.402 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.502 -4.492 -5.214 1.00 0.00 O ATOM 0 H SER 1 61 -14.206 -3.509 -7.380 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.133 -1.937 -5.999 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.075 -4.735 -7.213 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -10.799 -4.004 -6.261 1.00 0.00 H new ATOM 0 HG SER 1 61 -12.162 -5.383 -4.989 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.489 -1.655 -7.971 1.00 0.00 N ATOM 1031 CA ARG 1 62 -9.737 -1.174 -9.137 1.00 0.00 C ATOM 1032 C ARG 1 62 -8.701 -2.201 -9.619 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.132 -2.048 -10.705 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.058 0.162 -8.820 1.00 0.00 C ATOM 1035 CG ARG 1 62 -9.122 1.163 -9.966 1.00 0.00 C ATOM 1036 CD ARG 1 62 -8.415 2.463 -9.620 1.00 0.00 C ATOM 1037 NE ARG 1 62 -8.675 3.511 -10.615 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -7.847 4.532 -10.885 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -6.688 4.667 -10.241 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -8.183 5.421 -11.809 1.00 0.00 N ATOM 0 H ARG 1 62 -9.999 -1.548 -7.083 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.451 -1.028 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -9.528 0.599 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.014 -0.021 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -8.667 0.727 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -10.164 1.370 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -8.744 2.805 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -7.342 2.285 -9.552 1.00 0.00 H new ATOM 0 HE ARG 1 62 -9.549 3.459 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -6.418 3.988 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -6.071 5.449 -10.460 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -9.066 5.327 -12.310 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -7.558 6.199 -12.019 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.470 -3.240 -8.807 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.523 -4.293 -9.161 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.113 -4.054 -8.643 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.144 -4.248 -9.382 1.00 0.00 O ATOM 0 H GLY 1 63 -8.927 -3.370 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.887 -5.243 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.490 -4.388 -10.246 1.00 0.00 H new ATOM 1061 N PHE 1 64 -5.999 -3.608 -7.379 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.694 -3.363 -6.745 1.00 0.00 C ATOM 1063 C PHE 1 64 -4.797 -3.463 -5.218 1.00 0.00 C ATOM 1064 O PHE 1 64 -5.857 -3.188 -4.648 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.096 -2.010 -7.192 1.00 0.00 C ATOM 1066 CG PHE 1 64 -4.745 -0.788 -6.605 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -5.605 -0.015 -7.354 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.471 -0.418 -5.309 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.186 1.118 -6.813 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -5.042 0.706 -4.753 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -5.902 1.481 -5.509 1.00 0.00 C ATOM 0 H PHE 1 64 -6.798 -3.410 -6.776 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.008 -4.142 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.037 -1.997 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.159 -1.946 -8.278 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -5.828 -0.296 -8.373 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -3.797 -1.019 -4.717 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -6.860 1.717 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -4.819 0.980 -3.732 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.350 2.366 -5.083 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.688 -3.855 -4.568 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.657 -3.985 -3.145 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.247 -3.949 -2.616 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.311 -3.593 -3.332 1.00 0.00 O ATOM 0 H GLY 1 65 -2.808 -4.083 -5.031 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.237 -3.180 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.132 -4.922 -2.854 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.126 -4.274 -1.341 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.900 -4.311 -0.619 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.874 -5.540 0.284 1.00 0.00 C ATOM 1091 O PHE 1 66 -1.918 -6.115 0.606 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.807 -3.072 0.236 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.676 -1.789 -0.532 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 -1.805 -1.172 -1.044 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 0.560 -1.201 -0.737 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 -1.706 0.011 -1.749 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 0.667 -0.017 -1.442 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.467 0.590 -1.949 1.00 0.00 C ATOM 0 H PHE 1 66 -2.930 -4.529 -0.767 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.063 -4.356 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.695 -3.014 0.865 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.050 -3.170 0.902 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 -2.775 -1.622 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 1.449 -1.671 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 -2.594 0.483 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 1.636 0.434 -1.597 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.385 1.515 -2.500 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.326 -5.932 0.665 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.555 -7.062 1.557 1.00 0.00 C ATOM 1110 C VAL 1 67 1.729 -6.725 2.434 1.00 0.00 C ATOM 1111 O VAL 1 67 2.768 -6.252 1.970 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.798 -8.416 0.814 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.205 -9.536 1.780 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.436 -8.849 0.028 1.00 0.00 C ATOM 0 H VAL 1 67 1.184 -5.471 0.362 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.351 -7.217 2.143 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.620 -8.242 0.120 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.364 -10.458 1.221 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.127 -9.258 2.291 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.414 -9.688 2.515 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.233 -9.794 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.276 -8.975 0.711 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.681 -8.088 -0.712 1.00 0.00 H new ATOM 1124 N THR 1 68 1.527 -6.981 3.702 1.00 0.00 N ATOM 1125 CA THR 1 68 2.503 -6.696 4.707 1.00 0.00 C ATOM 1126 C THR 1 68 3.180 -7.954 5.193 1.00 0.00 C ATOM 1127 O THR 1 68 2.612 -8.738 5.958 1.00 0.00 O ATOM 1128 CB THR 1 68 1.871 -5.955 5.865 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.854 -5.078 5.353 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.940 -5.185 6.641 1.00 0.00 C ATOM 0 H THR 1 68 0.669 -7.398 4.063 1.00 0.00 H new ATOM 0 HA THR 1 68 3.266 -6.060 4.257 1.00 0.00 H new ATOM 0 HB THR 1 68 1.409 -6.659 6.558 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.436 -4.593 6.095 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.475 -4.655 7.472 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.684 -5.883 7.026 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.424 -4.467 5.979 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.410 -8.104 4.744 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.243 -9.233 5.086 1.00 0.00 C ATOM 1140 C PHE 1 69 5.918 -9.058 6.450 1.00 0.00 C ATOM 1141 O PHE 1 69 6.610 -8.062 6.685 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.279 -9.429 3.994 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.734 -10.175 2.815 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.673 -11.560 2.825 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.262 -9.493 1.707 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 5.153 -12.248 1.752 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 4.744 -10.179 0.629 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.691 -11.559 0.654 1.00 0.00 C ATOM 0 H PHE 1 69 4.863 -7.434 4.123 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.612 -10.119 5.162 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.646 -8.456 3.667 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.133 -9.971 4.400 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 6.037 -12.105 3.683 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 5.300 -8.414 1.687 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 5.108 -13.327 1.772 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 4.381 -9.639 -0.233 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.286 -12.098 -0.190 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.708 -10.039 7.345 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.275 -10.011 8.700 1.00 0.00 C ATOM 1160 C ALA 1 70 7.768 -10.331 8.758 1.00 0.00 C ATOM 1161 O ALA 1 70 8.372 -10.391 9.835 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.484 -10.926 9.626 1.00 0.00 C ATOM 0 H ALA 1 70 5.145 -10.867 7.150 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.186 -8.980 9.044 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.917 -10.894 10.626 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.447 -10.592 9.669 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.521 -11.947 9.247 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.336 -10.521 7.588 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.738 -10.816 7.421 1.00 0.00 C ATOM 1170 C ASP 1 71 10.353 -9.926 6.346 1.00 0.00 C ATOM 1171 O ASP 1 71 9.755 -9.764 5.278 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.910 -12.265 6.998 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.275 -12.855 7.329 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.815 -13.595 6.485 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.794 -12.587 8.436 1.00 0.00 O ATOM 0 H ASP 1 71 7.823 -10.473 6.708 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.238 -10.634 8.373 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 9.140 -12.867 7.481 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.745 -12.340 5.923 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.548 -9.322 6.595 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.229 -8.512 5.581 1.00 0.00 C ATOM 1182 C PRO 1 72 12.839 -9.369 4.489 1.00 0.00 C ATOM 1183 O PRO 1 72 13.184 -8.878 3.410 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.341 -7.813 6.334 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.095 -8.060 7.784 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.319 -9.339 7.860 1.00 0.00 C ATOM 0 HA PRO 1 72 11.531 -7.831 5.094 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.315 -8.201 6.035 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.343 -6.745 6.118 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.034 -8.141 8.331 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.536 -7.238 8.230 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.974 -10.208 7.924 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.666 -9.366 8.733 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.962 -10.659 4.797 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.545 -11.628 3.877 1.00 0.00 C ATOM 1196 C ALA 1 73 12.570 -12.031 2.782 1.00 0.00 C ATOM 1197 O ALA 1 73 12.975 -12.338 1.658 1.00 0.00 O ATOM 1198 CB ALA 1 73 14.054 -12.848 4.626 1.00 0.00 C ATOM 0 H ALA 1 73 12.662 -11.058 5.686 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.393 -11.144 3.392 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.484 -13.556 3.918 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.816 -12.543 5.343 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 13.227 -13.321 5.155 1.00 0.00 H new ATOM 1204 N SER 1 74 11.283 -12.005 3.126 1.00 0.00 N ATOM 1205 CA SER 1 74 10.209 -12.363 2.190 1.00 0.00 C ATOM 1206 C SER 1 74 10.057 -11.314 1.096 1.00 0.00 C ATOM 1207 O SER 1 74 9.691 -11.626 -0.040 1.00 0.00 O ATOM 1208 CB SER 1 74 8.888 -12.568 2.927 1.00 0.00 C ATOM 1209 OG SER 1 74 7.986 -13.326 2.141 1.00 0.00 O ATOM 0 H SER 1 74 10.953 -11.738 4.053 1.00 0.00 H new ATOM 0 HA SER 1 74 10.485 -13.305 1.716 1.00 0.00 H new ATOM 0 HB2 SER 1 74 9.070 -13.078 3.873 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.446 -11.601 3.165 1.00 0.00 H new ATOM 0 HG SER 1 74 7.112 -12.883 2.128 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.352 -10.068 1.468 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.292 -8.921 0.559 1.00 0.00 C ATOM 1217 C VAL 1 75 11.415 -9.014 -0.468 1.00 0.00 C ATOM 1218 O VAL 1 75 11.254 -8.608 -1.616 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.396 -7.572 1.330 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.024 -6.388 0.444 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.521 -7.572 2.582 1.00 0.00 C ATOM 0 H VAL 1 75 10.641 -9.824 2.415 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.327 -8.946 0.054 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.438 -7.466 1.632 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.108 -5.464 1.017 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 10.698 -6.348 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 8.999 -6.505 0.093 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.619 -6.615 3.094 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.480 -7.727 2.298 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 9.839 -8.374 3.248 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.533 -9.580 -0.026 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.710 -9.785 -0.856 1.00 0.00 C ATOM 1233 C ASP 1 76 13.453 -10.899 -1.868 1.00 0.00 C ATOM 1234 O ASP 1 76 13.832 -10.811 -3.041 1.00 0.00 O ATOM 1235 CB ASP 1 76 14.886 -10.150 0.042 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.223 -9.697 -0.514 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.849 -10.476 -1.263 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.643 -8.565 -0.199 1.00 0.00 O ATOM 0 H ASP 1 76 12.647 -9.913 0.931 1.00 0.00 H new ATOM 0 HA ASP 1 76 13.937 -8.871 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.738 -9.702 1.025 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.906 -11.231 0.184 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.776 -11.928 -1.368 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.405 -13.116 -2.139 1.00 0.00 C ATOM 1245 C LYS 1 77 11.344 -12.822 -3.200 1.00 0.00 C ATOM 1246 O LYS 1 77 11.437 -13.308 -4.331 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.899 -14.224 -1.205 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.957 -14.781 -0.265 1.00 0.00 C ATOM 1249 CD LYS 1 77 12.527 -16.117 0.317 1.00 0.00 C ATOM 1250 CE LYS 1 77 13.550 -16.652 1.305 1.00 0.00 C ATOM 1251 NZ LYS 1 77 13.175 -17.998 1.816 1.00 0.00 N ATOM 0 H LYS 1 77 12.463 -11.963 -0.398 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.306 -13.446 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 11.072 -13.834 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.501 -15.039 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.898 -14.901 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 13.140 -14.072 0.542 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.564 -16.005 0.815 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 12.387 -16.838 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 14.527 -16.705 0.824 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 13.644 -15.959 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 13.898 -18.328 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 12.255 -17.943 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 13.110 -18.665 1.021 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.368 -11.992 -2.833 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.260 -11.631 -3.722 1.00 0.00 C ATOM 1267 C VAL 1 78 9.657 -10.509 -4.699 1.00 0.00 C ATOM 1268 O VAL 1 78 9.153 -10.468 -5.826 1.00 0.00 O ATOM 1269 CB VAL 1 78 7.976 -11.252 -2.914 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 6.826 -10.818 -3.824 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.524 -12.430 -2.055 1.00 0.00 C ATOM 0 H VAL 1 78 10.321 -11.551 -1.914 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.025 -12.514 -4.317 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.239 -10.406 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 5.957 -10.565 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.130 -9.946 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.570 -11.633 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.629 -12.152 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.302 -13.283 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.318 -12.697 -1.357 1.00 0.00 H new ATOM 1281 N LEU 1 79 10.550 -9.602 -4.264 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.012 -8.496 -5.095 1.00 0.00 C ATOM 1283 C LEU 1 79 11.843 -9.005 -6.279 1.00 0.00 C ATOM 1284 O LEU 1 79 11.773 -8.450 -7.379 1.00 0.00 O ATOM 1285 CB LEU 1 79 11.854 -7.550 -4.237 1.00 0.00 C ATOM 1286 CG LEU 1 79 11.670 -6.035 -4.463 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 12.676 -5.255 -3.632 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 11.784 -5.641 -5.934 1.00 0.00 C ATOM 0 H LEU 1 79 10.964 -9.622 -3.332 1.00 0.00 H new ATOM 0 HA LEU 1 79 10.146 -7.969 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 11.639 -7.763 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 12.904 -7.790 -4.402 1.00 0.00 H new ATOM 0 HG LEU 1 79 10.658 -5.786 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 12.536 -4.187 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 12.527 -5.479 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.687 -5.539 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 11.646 -4.564 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 12.769 -5.917 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.018 -6.160 -6.510 1.00 0.00 H new ATOM 1300 N GLY 1 80 12.622 -10.075 -6.033 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.450 -10.677 -7.066 1.00 0.00 C ATOM 1302 C GLY 1 80 12.655 -11.453 -8.106 1.00 0.00 C ATOM 1303 O GLY 1 80 13.175 -11.773 -9.179 1.00 0.00 O ATOM 0 H GLY 1 80 12.687 -10.532 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.020 -9.894 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.171 -11.347 -6.598 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.399 -11.765 -7.770 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.509 -12.486 -8.651 1.00 0.00 C ATOM 1309 C GLN 1 81 9.555 -11.516 -9.382 1.00 0.00 C ATOM 1310 O GLN 1 81 8.547 -11.089 -8.806 1.00 0.00 O ATOM 1311 CB GLN 1 81 9.731 -13.494 -7.814 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.579 -14.666 -7.350 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.463 -15.871 -8.262 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 9.621 -16.745 -8.052 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 11.306 -15.920 -9.287 1.00 0.00 N ATOM 0 H GLN 1 81 10.981 -11.518 -6.873 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.082 -13.007 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.313 -12.989 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 8.891 -13.870 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.622 -14.355 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 10.279 -14.949 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 11.988 -15.174 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 11.272 -16.704 -9.938 1.00 0.00 H new ATOM 1324 N PRO 1 82 9.868 -11.122 -10.658 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.023 -10.195 -11.437 1.00 0.00 C ATOM 1326 C PRO 1 82 7.782 -10.857 -12.051 1.00 0.00 C ATOM 1327 O PRO 1 82 6.746 -10.206 -12.206 1.00 0.00 O ATOM 1328 CB PRO 1 82 9.950 -9.695 -12.561 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.296 -10.298 -12.298 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.065 -11.504 -11.436 1.00 0.00 C ATOM 0 HA PRO 1 82 8.632 -9.408 -10.792 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.573 -9.997 -13.538 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.006 -8.606 -12.563 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 11.785 -10.577 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 11.949 -9.583 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 10.892 -12.400 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 11.919 -11.710 -10.791 1.00 0.00 H new ATOM 1338 N HIS 1 83 7.893 -12.152 -12.383 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.793 -12.899 -12.997 1.00 0.00 C ATOM 1340 C HIS 1 83 5.862 -13.505 -11.936 1.00 0.00 C ATOM 1341 O HIS 1 83 6.276 -14.352 -11.137 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.359 -13.995 -13.908 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.423 -14.429 -14.997 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 5.448 -15.389 -14.819 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 6.314 -14.023 -16.286 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 4.782 -15.555 -15.948 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 5.287 -14.737 -16.852 1.00 0.00 N ATOM 0 H HIS 1 83 8.739 -12.703 -12.234 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.199 -12.206 -13.593 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.284 -13.636 -14.360 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.618 -14.861 -13.299 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 6.922 -13.277 -16.776 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 3.964 -16.243 -16.104 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.966 -14.649 -17.816 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.610 -13.029 -11.929 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.577 -13.493 -11.013 1.00 0.00 C ATOM 1358 C HIS 1 84 2.257 -13.590 -11.766 1.00 0.00 C ATOM 1359 O HIS 1 84 1.794 -12.603 -12.351 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.445 -12.533 -9.834 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.328 -13.224 -8.511 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 4.402 -13.800 -7.865 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 2.252 -13.445 -7.717 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 3.992 -14.346 -6.734 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 2.693 -14.143 -6.621 1.00 0.00 N ATOM 0 H HIS 1 84 4.289 -12.303 -12.569 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.848 -14.474 -10.623 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.312 -11.873 -9.815 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.568 -11.903 -9.985 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 1.237 -13.130 -7.911 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 4.614 -14.869 -6.023 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 2.110 -14.455 -5.844 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.664 -14.778 -11.753 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.432 -15.026 -12.434 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.676 -15.333 -11.447 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.513 -16.109 -10.501 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.593 -16.175 -13.435 1.00 0.00 C ATOM 1379 CG GLU 1 85 -0.242 -16.013 -14.696 1.00 0.00 C ATOM 1380 CD GLU 1 85 -0.142 -17.211 -15.621 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.980 -18.129 -15.493 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 0.771 -17.230 -16.471 1.00 0.00 O ATOM 0 H GLU 1 85 2.039 -15.590 -11.263 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.159 -14.125 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.643 -16.257 -13.714 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.319 -17.110 -12.947 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.285 -15.859 -14.419 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.082 -15.119 -15.229 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.797 -14.696 -11.714 1.00 0.00 N ATOM 1390 CA LEU 1 86 -3.010 -14.807 -10.953 1.00 0.00 C ATOM 1391 C LEU 1 86 -4.169 -14.776 -11.933 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.273 -13.876 -12.769 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.103 -13.644 -9.961 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.478 -13.374 -9.351 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.753 -14.277 -8.156 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.602 -11.910 -8.964 1.00 0.00 C ATOM 0 H LEU 1 86 -1.884 -14.059 -12.506 1.00 0.00 H new ATOM 0 HA LEU 1 86 -3.032 -15.735 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.401 -13.832 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.770 -12.737 -10.467 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.230 -13.603 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.740 -14.054 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.718 -15.320 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.998 -14.105 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.586 -11.730 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.833 -11.660 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.477 -11.288 -9.850 1.00 0.00 H new ATOM 1408 N ASP 1 87 -5.044 -15.762 -11.788 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.237 -15.961 -12.634 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.891 -15.919 -14.126 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.654 -15.434 -14.971 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.238 -14.898 -12.271 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.666 -15.226 -12.679 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -9.409 -15.778 -11.840 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.036 -14.932 -13.834 1.00 0.00 O ATOM 0 H ASP 1 87 -4.950 -16.471 -11.061 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.657 -16.950 -12.453 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.207 -14.737 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.943 -13.960 -12.742 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.720 -16.477 -14.402 1.00 0.00 N ATOM 1421 CA SER 1 88 -4.123 -16.573 -15.757 1.00 0.00 C ATOM 1422 C SER 1 88 -3.676 -15.189 -16.276 1.00 0.00 C ATOM 1423 O SER 1 88 -3.345 -15.034 -17.458 1.00 0.00 O ATOM 1424 CB SER 1 88 -5.078 -17.258 -16.761 1.00 0.00 C ATOM 1425 OG SER 1 88 -4.417 -17.550 -17.982 1.00 0.00 O ATOM 0 H SER 1 88 -4.131 -16.891 -13.680 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.237 -17.201 -15.669 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.467 -18.179 -16.326 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -5.933 -16.610 -16.953 1.00 0.00 H new ATOM 0 HG SER 1 88 -3.831 -16.802 -18.224 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.652 -14.199 -15.371 1.00 0.00 N ATOM 1432 CA LYS 1 89 -3.239 -12.845 -15.696 1.00 0.00 C ATOM 1433 C LYS 1 89 -2.065 -12.457 -14.817 1.00 0.00 C ATOM 1434 O LYS 1 89 -2.060 -12.701 -13.609 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.361 -11.800 -15.522 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.734 -12.351 -15.124 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.653 -12.484 -16.329 1.00 0.00 C ATOM 1438 CE LYS 1 89 -8.067 -12.854 -15.912 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -9.005 -12.852 -17.069 1.00 0.00 N ATOM 0 H LYS 1 89 -3.921 -14.325 -14.395 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.965 -12.846 -16.751 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.047 -11.081 -14.766 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.469 -11.252 -16.458 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.613 -13.324 -14.649 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -6.192 -11.691 -14.387 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -6.669 -11.544 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.261 -13.244 -17.005 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -8.063 -13.841 -15.450 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -8.419 -12.150 -15.158 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.959 -13.109 -16.743 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -9.029 -11.904 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.684 -13.542 -17.778 1.00 0.00 H new ATOM 1453 N THR 1 90 -1.085 -11.849 -15.456 1.00 0.00 N ATOM 1454 CA THR 1 90 0.152 -11.388 -14.809 1.00 0.00 C ATOM 1455 C THR 1 90 -0.081 -10.082 -14.024 1.00 0.00 C ATOM 1456 O THR 1 90 -0.526 -9.082 -14.594 1.00 0.00 O ATOM 1457 CB THR 1 90 1.266 -11.169 -15.867 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.216 -12.210 -16.854 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.657 -11.156 -15.235 1.00 0.00 C ATOM 0 H THR 1 90 -1.115 -11.653 -16.456 1.00 0.00 H new ATOM 0 HA THR 1 90 0.467 -12.161 -14.108 1.00 0.00 H new ATOM 0 HB THR 1 90 1.087 -10.198 -16.329 1.00 0.00 H new ATOM 0 HG1 THR 1 90 1.921 -12.064 -17.519 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.407 -11.000 -16.010 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.717 -10.349 -14.504 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.840 -12.109 -14.739 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.234 -10.111 -12.721 1.00 0.00 N ATOM 1468 CA ILE 1 91 0.063 -8.947 -11.839 1.00 0.00 C ATOM 1469 C ILE 1 91 1.430 -8.344 -11.475 1.00 0.00 C ATOM 1470 O ILE 1 91 2.462 -8.969 -11.744 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.814 -9.294 -10.594 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.224 -10.400 -9.714 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.206 -9.696 -11.071 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -1.001 -10.633 -8.423 1.00 0.00 C ATOM 0 H ILE 1 91 0.611 -10.934 -12.252 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.488 -8.176 -12.377 1.00 0.00 H new ATOM 0 HB ILE 1 91 -0.854 -8.402 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.195 -11.329 -10.283 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.807 -10.145 -9.467 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.829 -9.941 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.655 -8.869 -11.620 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.130 -10.566 -11.723 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.526 -11.430 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -1.008 -9.717 -7.832 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -2.025 -10.919 -8.661 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.452 -7.141 -10.870 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.724 -6.483 -10.584 1.00 0.00 C ATOM 1488 C ASP 1 92 3.016 -6.294 -9.076 1.00 0.00 C ATOM 1489 O ASP 1 92 2.558 -5.313 -8.474 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.739 -5.135 -11.311 1.00 0.00 C ATOM 1491 CG ASP 1 92 4.141 -4.619 -11.595 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.467 -4.414 -12.783 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.911 -4.423 -10.631 1.00 0.00 O ATOM 0 H ASP 1 92 0.623 -6.623 -10.580 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.520 -7.136 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 2.198 -5.232 -12.252 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 2.204 -4.400 -10.710 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.755 -7.249 -8.423 1.00 0.00 N ATOM 1499 CA PRO 1 93 4.152 -7.115 -7.013 1.00 0.00 C ATOM 1500 C PRO 1 93 5.418 -6.255 -6.868 1.00 0.00 C ATOM 1501 O PRO 1 93 6.453 -6.558 -7.471 1.00 0.00 O ATOM 1502 CB PRO 1 93 4.419 -8.565 -6.558 1.00 0.00 C ATOM 1503 CG PRO 1 93 4.156 -9.437 -7.751 1.00 0.00 C ATOM 1504 CD PRO 1 93 4.208 -8.548 -8.962 1.00 0.00 C ATOM 0 HA PRO 1 93 3.388 -6.619 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 5.446 -8.681 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.769 -8.837 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.901 -10.230 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 3.183 -9.921 -7.669 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 5.214 -8.487 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 3.555 -8.907 -9.758 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.325 -5.187 -6.060 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.460 -4.264 -5.848 1.00 0.00 C ATOM 1514 C LYS 1 94 6.442 -3.661 -4.439 1.00 0.00 C ATOM 1515 O LYS 1 94 5.393 -3.599 -3.814 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.454 -3.133 -6.911 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.149 -2.329 -6.995 1.00 0.00 C ATOM 1518 CD LYS 1 94 4.547 -2.376 -8.389 1.00 0.00 C ATOM 1519 CE LYS 1 94 3.223 -1.630 -8.447 1.00 0.00 C ATOM 1520 NZ LYS 1 94 2.611 -1.682 -9.803 1.00 0.00 N ATOM 0 H LYS 1 94 4.481 -4.939 -5.543 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.376 -4.846 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 7.273 -2.447 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.656 -3.572 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 4.432 -2.724 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 5.342 -1.293 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.245 -1.938 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 4.395 -3.414 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 2.533 -2.060 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 3.380 -0.590 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 2.134 -0.780 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 3.353 -1.847 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 1.918 -2.456 -9.841 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.606 -3.186 -3.963 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.717 -2.573 -2.622 1.00 0.00 C ATOM 1536 C VAL 1 95 7.283 -1.097 -2.672 1.00 0.00 C ATOM 1537 O VAL 1 95 7.573 -0.391 -3.643 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.142 -2.706 -2.032 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.190 -2.279 -0.564 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.659 -4.135 -2.170 1.00 0.00 C ATOM 0 H VAL 1 95 8.483 -3.213 -4.483 1.00 0.00 H new ATOM 0 HA VAL 1 95 7.047 -3.118 -1.958 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.786 -2.037 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.207 -2.387 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 8.880 -1.238 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.518 -2.908 0.020 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.662 -4.201 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.995 -4.815 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.690 -4.410 -3.224 1.00 0.00 H new ATOM 1550 N ALA 1 96 6.586 -0.650 -1.615 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.062 0.717 -1.519 1.00 0.00 C ATOM 1552 C ALA 1 96 7.144 1.782 -1.307 1.00 0.00 C ATOM 1553 O ALA 1 96 8.147 1.543 -0.629 1.00 0.00 O ATOM 1554 CB ALA 1 96 5.031 0.798 -0.407 1.00 0.00 C ATOM 0 H ALA 1 96 6.371 -1.229 -0.803 1.00 0.00 H new ATOM 0 HA ALA 1 96 5.602 0.937 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 4.646 1.816 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 4.211 0.113 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 5.495 0.524 0.540 1.00 0.00 H new ATOM 1560 N PHE 1 97 6.910 2.953 -1.913 1.00 0.00 N ATOM 1561 CA PHE 1 97 7.799 4.099 -1.830 1.00 0.00 C ATOM 1562 C PHE 1 97 7.050 5.310 -1.237 1.00 0.00 C ATOM 1563 O PHE 1 97 5.901 5.547 -1.618 1.00 0.00 O ATOM 1564 CB PHE 1 97 8.298 4.438 -3.229 1.00 0.00 C ATOM 1565 CG PHE 1 97 9.625 3.822 -3.559 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 9.694 2.538 -4.072 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 10.803 4.522 -3.349 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 10.914 1.960 -4.370 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 12.026 3.950 -3.647 1.00 0.00 C ATOM 1570 CZ PHE 1 97 12.081 2.669 -4.157 1.00 0.00 C ATOM 0 H PHE 1 97 6.081 3.125 -2.482 1.00 0.00 H new ATOM 0 HA PHE 1 97 8.643 3.859 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 7.561 4.105 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 8.376 5.521 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 8.784 1.981 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 10.765 5.524 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 10.955 0.957 -4.768 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 12.937 4.505 -3.481 1.00 0.00 H new ATOM 0 HZ PHE 1 97 13.036 2.221 -4.390 1.00 0.00 H new ATOM 1580 N PRO 1 98 7.665 6.100 -0.299 1.00 0.00 N ATOM 1581 CA PRO 1 98 7.006 7.280 0.316 1.00 0.00 C ATOM 1582 C PRO 1 98 6.866 8.462 -0.651 1.00 0.00 C ATOM 1583 O PRO 1 98 7.741 8.694 -1.489 1.00 0.00 O ATOM 1584 CB PRO 1 98 7.941 7.652 1.480 1.00 0.00 C ATOM 1585 CG PRO 1 98 8.840 6.476 1.645 1.00 0.00 C ATOM 1586 CD PRO 1 98 9.016 5.919 0.272 1.00 0.00 C ATOM 0 HA PRO 1 98 5.986 7.049 0.622 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 8.509 8.555 1.256 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 7.377 7.848 2.392 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 9.797 6.770 2.076 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 8.402 5.737 2.316 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 9.776 6.458 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 9.316 4.871 0.290 1.00 0.00 H new ATOM 1594 N ARG 1 99 5.754 9.200 -0.516 1.00 0.00 N ATOM 1595 CA ARG 1 99 5.469 10.358 -1.374 1.00 0.00 C ATOM 1596 C ARG 1 99 5.446 11.670 -0.581 1.00 0.00 C ATOM 1597 O ARG 1 99 5.938 12.695 -1.063 1.00 0.00 O ATOM 1598 CB ARG 1 99 4.128 10.167 -2.096 1.00 0.00 C ATOM 1599 CG ARG 1 99 4.183 9.174 -3.249 1.00 0.00 C ATOM 1600 CD ARG 1 99 2.798 8.887 -3.815 1.00 0.00 C ATOM 1601 NE ARG 1 99 2.021 7.986 -2.951 1.00 0.00 N ATOM 1602 CZ ARG 1 99 0.737 7.652 -3.150 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 0.051 8.133 -4.185 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 0.138 6.827 -2.303 1.00 0.00 N ATOM 0 H ARG 1 99 5.035 9.013 0.183 1.00 0.00 H new ATOM 0 HA ARG 1 99 6.274 10.424 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 3.383 9.830 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 3.791 11.131 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 4.824 9.568 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 4.636 8.244 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 2.257 9.825 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 2.897 8.442 -4.805 1.00 0.00 H new ATOM 0 HE ARG 1 99 2.493 7.585 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 0.501 8.768 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 -0.925 7.867 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 0.653 6.451 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 -0.838 6.568 -2.447 1.00 0.00 H new ATOM 1618 N ARG 1 100 4.878 11.631 0.635 1.00 0.00 N ATOM 1619 CA ARG 1 100 4.775 12.819 1.496 1.00 0.00 C ATOM 1620 C ARG 1 100 6.021 12.993 2.372 1.00 0.00 C ATOM 1621 O ARG 1 100 6.400 12.084 3.117 1.00 0.00 O ATOM 1622 CB ARG 1 100 3.528 12.724 2.383 1.00 0.00 C ATOM 1623 CG ARG 1 100 2.225 13.053 1.660 1.00 0.00 C ATOM 1624 CD ARG 1 100 1.685 14.418 2.064 1.00 0.00 C ATOM 1625 NE ARG 1 100 0.359 14.677 1.490 1.00 0.00 N ATOM 1626 CZ ARG 1 100 -0.587 15.436 2.064 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 -0.378 16.031 3.238 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 -1.754 15.599 1.455 1.00 0.00 N ATOM 0 H ARG 1 100 4.482 10.785 1.045 1.00 0.00 H new ATOM 0 HA ARG 1 100 4.695 13.690 0.846 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 3.461 11.715 2.790 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 3.644 13.402 3.228 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 2.391 13.032 0.583 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 1.482 12.287 1.883 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 1.627 14.478 3.151 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 2.379 15.193 1.738 1.00 0.00 H new ATOM 0 HE ARG 1 100 0.141 14.249 0.590 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 0.515 15.914 3.718 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 -1.111 16.604 3.657 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 -1.928 15.149 0.556 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 -2.478 16.175 1.885 1.00 0.00 H new ATOM 1642 N ALA 1 101 6.652 14.170 2.259 1.00 0.00 N ATOM 1643 CA ALA 1 101 7.844 14.503 3.026 1.00 0.00 C ATOM 1644 C ALA 1 101 7.688 15.852 3.741 1.00 0.00 C ATOM 1645 O ALA 1 101 6.704 16.566 3.521 1.00 0.00 O ATOM 1646 CB ALA 1 101 9.076 14.501 2.124 1.00 0.00 C ATOM 0 H ALA 1 101 6.345 14.913 1.631 1.00 0.00 H new ATOM 0 HA ALA 1 101 7.977 13.740 3.793 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 9.958 14.752 2.713 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 9.203 13.512 1.683 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 8.948 15.238 1.331 1.00 0.00 H new ATOM 1652 N GLN 1 102 8.669 16.191 4.590 1.00 0.00 N ATOM 1653 CA GLN 1 102 8.650 17.449 5.346 1.00 0.00 C ATOM 1654 C GLN 1 102 9.688 18.447 4.792 1.00 0.00 C ATOM 1655 O GLN 1 102 10.896 18.238 4.962 1.00 0.00 O ATOM 1656 CB GLN 1 102 8.907 17.187 6.838 1.00 0.00 C ATOM 1657 CG GLN 1 102 7.718 16.579 7.570 1.00 0.00 C ATOM 1658 CD GLN 1 102 7.949 16.474 9.065 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 8.460 15.468 9.557 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 7.568 17.515 9.798 1.00 0.00 N ATOM 0 H GLN 1 102 9.487 15.609 4.770 1.00 0.00 H new ATOM 0 HA GLN 1 102 7.660 17.891 5.234 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 9.763 16.520 6.938 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 9.177 18.126 7.321 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 6.832 17.186 7.384 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 7.515 15.587 7.166 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 7.148 18.329 9.349 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 7.695 17.500 10.810 1.00 0.00 H new ATOM 1669 N PRO 1 103 9.238 19.540 4.098 1.00 0.00 N ATOM 1670 CA PRO 1 103 10.151 20.553 3.535 1.00 0.00 C ATOM 1671 C PRO 1 103 10.606 21.608 4.564 1.00 0.00 C ATOM 1672 O PRO 1 103 10.120 21.626 5.699 1.00 0.00 O ATOM 1673 CB PRO 1 103 9.304 21.189 2.426 1.00 0.00 C ATOM 1674 CG PRO 1 103 7.893 21.085 2.901 1.00 0.00 C ATOM 1675 CD PRO 1 103 7.817 19.861 3.784 1.00 0.00 C ATOM 0 HA PRO 1 103 11.086 20.113 3.188 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 9.588 22.228 2.261 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 9.440 20.667 1.479 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 7.605 21.979 3.454 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 7.207 20.997 2.058 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 7.245 20.060 4.690 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 7.326 19.033 3.273 1.00 0.00 H new ATOM 1683 N LYS 1 104 11.530 22.483 4.140 1.00 0.00 N ATOM 1684 CA LYS 1 104 12.068 23.552 4.996 1.00 0.00 C ATOM 1685 C LYS 1 104 11.199 24.809 4.917 1.00 0.00 C ATOM 1686 O LYS 1 104 10.808 25.229 3.825 1.00 0.00 O ATOM 1687 CB LYS 1 104 13.504 23.895 4.585 1.00 0.00 C ATOM 1688 CG LYS 1 104 14.530 22.837 4.964 1.00 0.00 C ATOM 1689 CD LYS 1 104 15.914 23.197 4.449 1.00 0.00 C ATOM 1690 CE LYS 1 104 16.963 22.204 4.925 1.00 0.00 C ATOM 1691 NZ LYS 1 104 18.310 22.513 4.373 1.00 0.00 N ATOM 0 H LYS 1 104 11.924 22.470 3.199 1.00 0.00 H new ATOM 0 HA LYS 1 104 12.064 23.189 6.024 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 13.535 24.045 3.506 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 13.786 24.841 5.047 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 14.560 22.729 6.048 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 14.228 21.872 4.556 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 15.903 23.221 3.359 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 16.180 24.198 4.787 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 17.006 22.215 6.014 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 16.671 21.197 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 18.997 21.814 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 18.276 22.478 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 18.600 23.464 4.678 1.00 0.00 H new ATOM 1705 N MET 1 105 10.907 25.400 6.085 1.00 0.00 N ATOM 1706 CA MET 1 105 10.083 26.614 6.167 1.00 0.00 C ATOM 1707 C MET 1 105 10.935 27.878 6.055 1.00 0.00 C ATOM 1708 O MET 1 105 12.071 27.916 6.537 1.00 0.00 O ATOM 1709 CB MET 1 105 9.292 26.636 7.479 1.00 0.00 C ATOM 1710 CG MET 1 105 8.139 25.643 7.514 1.00 0.00 C ATOM 1711 SD MET 1 105 7.187 25.734 9.042 1.00 0.00 S ATOM 1712 CE MET 1 105 5.876 24.565 8.694 1.00 0.00 C ATOM 0 H MET 1 105 11.231 25.055 6.989 1.00 0.00 H new ATOM 0 HA MET 1 105 9.388 26.596 5.327 1.00 0.00 H new ATOM 0 HB2 MET 1 105 9.970 26.422 8.305 1.00 0.00 H new ATOM 0 HB3 MET 1 105 8.900 27.640 7.640 1.00 0.00 H new ATOM 0 HG2 MET 1 105 7.478 25.830 6.668 1.00 0.00 H new ATOM 0 HG3 MET 1 105 8.531 24.633 7.395 1.00 0.00 H new ATOM 0 HE1 MET 1 105 5.202 24.509 9.549 1.00 0.00 H new ATOM 0 HE2 MET 1 105 5.321 24.892 7.815 1.00 0.00 H new ATOM 0 HE3 MET 1 105 6.306 23.581 8.507 1.00 0.00 H new ATOM 1722 N VAL 1 106 10.370 28.904 5.410 1.00 0.00 N ATOM 1723 CA VAL 1 106 11.058 30.181 5.219 1.00 0.00 C ATOM 1724 C VAL 1 106 10.318 31.302 5.965 1.00 0.00 C ATOM 1725 O VAL 1 106 10.921 32.030 6.760 1.00 0.00 O ATOM 1726 CB VAL 1 106 11.209 30.539 3.703 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 12.005 31.827 3.500 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 11.867 29.400 2.930 1.00 0.00 C ATOM 0 H VAL 1 106 9.432 28.872 5.010 1.00 0.00 H new ATOM 0 HA VAL 1 106 12.061 30.081 5.633 1.00 0.00 H new ATOM 0 HB VAL 1 106 10.202 30.695 3.316 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 12.087 32.040 2.434 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 11.495 32.652 3.997 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 13.002 31.709 3.924 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 11.958 29.678 1.880 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 12.857 29.206 3.341 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 11.256 28.502 3.016 1.00 0.00 H new ATOM 1738 N THR 1 107 9.011 31.434 5.689 1.00 0.00 N ATOM 1739 CA THR 1 107 8.168 32.446 6.311 1.00 0.00 C ATOM 1740 C THR 1 107 7.758 32.053 7.744 1.00 0.00 C ATOM 1741 O THR 1 107 6.755 31.365 7.967 1.00 0.00 O ATOM 1742 CB THR 1 107 6.920 32.775 5.424 1.00 0.00 C ATOM 1743 OG1 THR 1 107 6.087 33.746 6.071 1.00 0.00 O ATOM 1744 CG2 THR 1 107 6.084 31.535 5.081 1.00 0.00 C ATOM 0 H THR 1 107 8.516 30.837 5.026 1.00 0.00 H new ATOM 0 HA THR 1 107 8.763 33.356 6.389 1.00 0.00 H new ATOM 0 HB THR 1 107 7.308 33.177 4.488 1.00 0.00 H new ATOM 0 HG1 THR 1 107 6.633 34.508 6.356 1.00 0.00 H new ATOM 0 HG21 THR 1 107 5.234 31.828 4.465 1.00 0.00 H new ATOM 0 HG22 THR 1 107 6.700 30.821 4.534 1.00 0.00 H new ATOM 0 HG23 THR 1 107 5.724 31.073 6.000 1.00 0.00 H new ATOM 1752 N ARG 1 108 8.576 32.492 8.698 1.00 0.00 N ATOM 1753 CA ARG 1 108 8.344 32.227 10.123 1.00 0.00 C ATOM 1754 C ARG 1 108 8.153 33.532 10.909 1.00 0.00 C ATOM 1755 O ARG 1 108 7.287 33.609 11.787 1.00 0.00 O ATOM 1756 CB ARG 1 108 9.492 31.385 10.730 1.00 0.00 C ATOM 1757 CG ARG 1 108 10.904 31.886 10.424 1.00 0.00 C ATOM 1758 CD ARG 1 108 11.964 30.922 10.934 1.00 0.00 C ATOM 1759 NE ARG 1 108 13.311 31.319 10.513 1.00 0.00 N ATOM 1760 CZ ARG 1 108 14.400 30.538 10.589 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 14.327 29.299 11.072 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 15.568 31.005 10.173 1.00 0.00 N ATOM 0 H ARG 1 108 9.416 33.039 8.510 1.00 0.00 H new ATOM 0 HA ARG 1 108 7.423 31.649 10.202 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 9.363 31.352 11.812 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 9.401 30.361 10.366 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 11.019 32.017 9.348 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 11.051 32.864 10.882 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 11.922 30.878 12.022 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 11.750 29.919 10.566 1.00 0.00 H new ATOM 0 HE ARG 1 108 13.429 32.259 10.134 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 13.432 28.928 11.392 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 15.166 28.721 11.122 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 15.635 31.951 9.799 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 16.400 30.418 10.227 1.00 0.00 H new ATOM 1776 N THR 1 109 8.967 34.544 10.586 1.00 0.00 N ATOM 1777 CA THR 1 109 8.895 35.851 11.252 1.00 0.00 C ATOM 1778 C THR 1 109 8.367 36.939 10.299 1.00 0.00 C ATOM 1779 O THR 1 109 7.564 37.786 10.705 1.00 0.00 O ATOM 1780 CB THR 1 109 10.269 36.272 11.867 1.00 0.00 C ATOM 1781 OG1 THR 1 109 10.168 37.568 12.472 1.00 0.00 O ATOM 1782 CG2 THR 1 109 11.406 36.281 10.839 1.00 0.00 C ATOM 0 H THR 1 109 9.686 34.483 9.865 1.00 0.00 H new ATOM 0 HA THR 1 109 8.187 35.747 12.074 1.00 0.00 H new ATOM 0 HB THR 1 109 10.512 35.522 12.619 1.00 0.00 H new ATOM 0 HG1 THR 1 109 11.035 37.819 12.855 1.00 0.00 H new ATOM 0 HG21 THR 1 109 12.334 36.581 11.326 1.00 0.00 H new ATOM 0 HG22 THR 1 109 11.524 35.283 10.418 1.00 0.00 H new ATOM 0 HG23 THR 1 109 11.170 36.986 10.042 1.00 0.00 H new ATOM 1790 N LYS 1 110 8.825 36.903 9.038 1.00 0.00 N ATOM 1791 CA LYS 1 110 8.417 37.867 8.018 1.00 0.00 C ATOM 1792 C LYS 1 110 7.042 37.530 7.435 1.00 0.00 C ATOM 1793 O LYS 1 110 6.700 36.354 7.275 1.00 0.00 O ATOM 1794 CB LYS 1 110 9.453 37.928 6.892 1.00 0.00 C ATOM 1795 CG LYS 1 110 10.675 38.767 7.229 1.00 0.00 C ATOM 1796 CD LYS 1 110 11.647 38.826 6.061 1.00 0.00 C ATOM 1797 CE LYS 1 110 12.760 39.831 6.309 1.00 0.00 C ATOM 1798 NZ LYS 1 110 13.712 39.901 5.167 1.00 0.00 N ATOM 0 H LYS 1 110 9.487 36.204 8.702 1.00 0.00 H new ATOM 0 HA LYS 1 110 8.350 38.841 8.503 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 9.774 36.915 6.651 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 8.980 38.334 5.997 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 10.363 39.777 7.496 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 11.177 38.348 8.101 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 12.078 37.839 5.895 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 11.109 39.095 5.152 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 12.327 40.816 6.481 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 13.300 39.557 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 14.455 40.598 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 14.145 38.967 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 13.202 40.187 4.307 1.00 0.00 H new ATOM 1812 N LYS 1 111 6.266 38.578 7.118 1.00 0.00 N ATOM 1813 CA LYS 1 111 4.931 38.429 6.553 1.00 0.00 C ATOM 1814 C LYS 1 111 4.988 38.239 5.032 1.00 0.00 C ATOM 1815 O LYS 1 111 5.492 39.148 4.336 1.00 0.00 O ATOM 1816 CB LYS 1 111 4.065 39.647 6.905 1.00 0.00 C ATOM 1817 CG LYS 1 111 2.605 39.306 7.170 1.00 0.00 C ATOM 1818 CD LYS 1 111 1.723 40.544 7.104 1.00 0.00 C ATOM 1819 CE LYS 1 111 0.274 40.220 7.439 1.00 0.00 C ATOM 1820 NZ LYS 1 111 0.060 40.061 8.904 1.00 0.00 N ATOM 1821 OXT LYS 1 111 4.527 37.182 4.552 1.00 0.00 O ATOM 0 H LYS 1 111 6.553 39.548 7.249 1.00 0.00 H new ATOM 0 HA LYS 1 111 4.481 37.536 6.987 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 4.481 40.134 7.787 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 4.118 40.367 6.088 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 2.262 38.574 6.438 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 2.511 38.843 8.152 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 2.098 41.296 7.799 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 1.778 40.977 6.105 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 -0.371 41.014 7.063 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 -0.019 39.303 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 -0.940 39.841 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 0.656 39.286 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 0.315 40.944 9.390 1.00 0.00 H new TER 1835 LYS 1 111