USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= -1.44! C(o=-1!,f=-21!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -175:sc= 0.427 (180deg=0) USER MOD Set 2.1: A 35 GLN : amide:sc= -9.17! C(o=-17!,f=-13!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -7.7! C(o=-17!,f=-18!) USER MOD Set 3.1: A 7 HIS : no HD1:sc= -4.01! C(o=-3.8!,f=-9.7!) USER MOD Set 3.2: A 8 SER OG : rot 78:sc= 0.244 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 4 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.37) USER MOD Single : A 5 HIS : no HE2:sc= 0.521 K(o=0.52,f=-5.4!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0938 K(o=-0.094,f=-0.6) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -160:sc= -0.817 USER MOD Single : A 17 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.084) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 36 TYR OH : rot -45:sc= -3.69! USER MOD Single : A 38 GLN : amide:sc= -6.58! K(o=-6.6!,f=-1.8) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -52:sc= 0.834 USER MOD Single : A 44 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.21) USER MOD Single : A 48 ASN : amide:sc= -6.7! K(o=-6.7!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -3.15 (180deg=-4.34!) USER MOD Single : A 54 ASN : amide:sc= 0.0767 X(o=0.077,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= -0.406 (180deg=-1.36!) USER MOD Single : A 68 CYS SG : rot -72:sc= 0.565 USER MOD Single : A 73 THR OG1 : rot 80:sc= 0.685 USER MOD Single : A 75 ASN : amide:sc= -6.42! C(o=-6.4!,f=-9.6!) USER MOD Single : A 77 CYS SG : rot -38:sc= 0.151 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.864 -7.966 -11.684 1.00 1.00 N ATOM 2 CA MET A 1 14.748 -6.775 -11.533 1.00 1.00 C ATOM 3 C MET A 1 16.205 -7.210 -11.642 1.00 1.00 C ATOM 4 O MET A 1 16.903 -6.843 -12.588 1.00 1.00 O ATOM 5 CB MET A 1 14.497 -6.126 -10.170 1.00 1.00 C ATOM 6 CG MET A 1 15.120 -4.729 -10.146 1.00 1.00 C ATOM 7 SD MET A 1 15.074 -4.077 -8.459 1.00 1.00 S ATOM 8 CE MET A 1 13.517 -3.167 -8.611 1.00 1.00 C ATOM 0 H1 MET A 1 12.869 -7.672 -11.610 1.00 1.00 H new ATOM 0 H2 MET A 1 14.027 -8.404 -12.613 1.00 1.00 H new ATOM 0 H3 MET A 1 14.078 -8.654 -10.934 1.00 1.00 H new ATOM 0 HA MET A 1 14.530 -6.052 -12.319 1.00 1.00 H new ATOM 0 HB2 MET A 1 13.426 -6.061 -9.978 1.00 1.00 H new ATOM 0 HB3 MET A 1 14.926 -6.740 -9.378 1.00 1.00 H new ATOM 0 HG2 MET A 1 16.149 -4.772 -10.503 1.00 1.00 H new ATOM 0 HG3 MET A 1 14.577 -4.065 -10.819 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.289 -2.676 -7.665 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.609 -2.417 -9.396 1.00 1.00 H new ATOM 0 HE3 MET A 1 12.714 -3.860 -8.863 1.00 1.00 H new ATOM 20 N HIS A 2 16.658 -7.992 -10.668 1.00 1.00 N ATOM 21 CA HIS A 2 18.036 -8.471 -10.665 1.00 1.00 C ATOM 22 C HIS A 2 18.149 -9.773 -9.877 1.00 1.00 C ATOM 23 O HIS A 2 18.370 -10.839 -10.450 1.00 1.00 O ATOM 24 CB HIS A 2 18.955 -7.416 -10.046 1.00 1.00 C ATOM 25 CG HIS A 2 19.882 -6.879 -11.100 1.00 1.00 C ATOM 26 ND1 HIS A 2 19.825 -5.564 -11.535 1.00 1.00 N ATOM 27 CD2 HIS A 2 20.897 -7.465 -11.816 1.00 1.00 C ATOM 28 CE1 HIS A 2 20.776 -5.404 -12.473 1.00 1.00 C ATOM 29 NE2 HIS A 2 21.460 -6.532 -12.682 1.00 1.00 N ATOM 0 H HIS A 2 16.097 -8.306 -9.876 1.00 1.00 H new ATOM 0 HA HIS A 2 18.339 -8.656 -11.696 1.00 1.00 H new ATOM 0 HB2 HIS A 2 18.362 -6.606 -9.621 1.00 1.00 H new ATOM 0 HB3 HIS A 2 19.530 -7.853 -9.229 1.00 1.00 H new ATOM 0 HD2 HIS A 2 21.211 -8.494 -11.721 1.00 1.00 H new ATOM 0 HE1 HIS A 2 20.964 -4.477 -12.994 1.00 1.00 H new ATOM 0 HE2 HIS A 2 22.229 -6.678 -13.336 1.00 1.00 H new ATOM 37 N HIS A 3 17.996 -9.677 -8.560 1.00 1.00 N ATOM 38 CA HIS A 3 18.083 -10.852 -7.703 1.00 1.00 C ATOM 39 C HIS A 3 17.442 -10.577 -6.347 1.00 1.00 C ATOM 40 O HIS A 3 17.278 -9.423 -5.950 1.00 1.00 O ATOM 41 CB HIS A 3 19.547 -11.248 -7.505 1.00 1.00 C ATOM 42 CG HIS A 3 19.963 -12.198 -8.595 1.00 1.00 C ATOM 43 ND1 HIS A 3 19.346 -13.427 -8.779 1.00 1.00 N ATOM 44 CD2 HIS A 3 20.928 -12.114 -9.567 1.00 1.00 C ATOM 45 CE1 HIS A 3 19.943 -14.028 -9.825 1.00 1.00 C ATOM 46 NE2 HIS A 3 20.914 -13.271 -10.343 1.00 1.00 N ATOM 0 H HIS A 3 17.812 -8.803 -8.066 1.00 1.00 H new ATOM 0 HA HIS A 3 17.547 -11.669 -8.186 1.00 1.00 H new ATOM 0 HB2 HIS A 3 20.180 -10.361 -7.521 1.00 1.00 H new ATOM 0 HB3 HIS A 3 19.679 -11.717 -6.530 1.00 1.00 H new ATOM 0 HD2 HIS A 3 21.597 -11.278 -9.709 1.00 1.00 H new ATOM 0 HE1 HIS A 3 19.670 -15.003 -10.200 1.00 1.00 H new ATOM 0 HE2 HIS A 3 21.516 -13.492 -11.136 1.00 1.00 H new ATOM 54 N HIS A 4 17.079 -11.643 -5.641 1.00 1.00 N ATOM 55 CA HIS A 4 16.455 -11.505 -4.331 1.00 1.00 C ATOM 56 C HIS A 4 17.516 -11.338 -3.248 1.00 1.00 C ATOM 57 O HIS A 4 18.128 -12.313 -2.809 1.00 1.00 O ATOM 58 CB HIS A 4 15.601 -12.736 -4.025 1.00 1.00 C ATOM 59 CG HIS A 4 14.651 -12.982 -5.166 1.00 1.00 C ATOM 60 ND1 HIS A 4 14.177 -11.958 -5.969 1.00 1.00 N ATOM 61 CD2 HIS A 4 14.078 -14.133 -5.650 1.00 1.00 C ATOM 62 CE1 HIS A 4 13.358 -12.505 -6.885 1.00 1.00 C ATOM 63 NE2 HIS A 4 13.261 -13.829 -6.735 1.00 1.00 N ATOM 0 H HIS A 4 17.205 -12.606 -5.952 1.00 1.00 H new ATOM 0 HA HIS A 4 15.821 -10.619 -4.344 1.00 1.00 H new ATOM 0 HB2 HIS A 4 16.239 -13.607 -3.875 1.00 1.00 H new ATOM 0 HB3 HIS A 4 15.044 -12.585 -3.100 1.00 1.00 H new ATOM 0 HD2 HIS A 4 14.237 -15.123 -5.249 1.00 1.00 H new ATOM 0 HE1 HIS A 4 12.842 -11.942 -7.649 1.00 1.00 H new ATOM 0 HE2 HIS A 4 12.707 -14.477 -7.295 1.00 1.00 H new ATOM 71 N HIS A 5 17.730 -10.097 -2.821 1.00 1.00 N ATOM 72 CA HIS A 5 18.720 -9.816 -1.788 1.00 1.00 C ATOM 73 C HIS A 5 18.248 -8.676 -0.892 1.00 1.00 C ATOM 74 O HIS A 5 19.006 -8.167 -0.066 1.00 1.00 O ATOM 75 CB HIS A 5 20.055 -9.441 -2.433 1.00 1.00 C ATOM 76 CG HIS A 5 21.179 -9.782 -1.494 1.00 1.00 C ATOM 77 ND1 HIS A 5 21.265 -9.247 -0.218 1.00 1.00 N ATOM 78 CD2 HIS A 5 22.270 -10.604 -1.629 1.00 1.00 C ATOM 79 CE1 HIS A 5 22.373 -9.748 0.359 1.00 1.00 C ATOM 80 NE2 HIS A 5 23.022 -10.581 -0.458 1.00 1.00 N ATOM 0 H HIS A 5 17.235 -9.276 -3.171 1.00 1.00 H new ATOM 0 HA HIS A 5 18.849 -10.712 -1.181 1.00 1.00 H new ATOM 0 HB2 HIS A 5 20.179 -9.976 -3.375 1.00 1.00 H new ATOM 0 HB3 HIS A 5 20.072 -8.376 -2.666 1.00 1.00 H new ATOM 0 HD1 HIS A 5 20.608 -8.592 0.207 1.00 1.00 H new ATOM 0 HD2 HIS A 5 22.509 -11.181 -2.510 1.00 1.00 H new ATOM 0 HE1 HIS A 5 22.697 -9.506 1.360 1.00 1.00 H new ATOM 88 N HIS A 6 16.990 -8.280 -1.058 1.00 1.00 N ATOM 89 CA HIS A 6 16.426 -7.200 -0.258 1.00 1.00 C ATOM 90 C HIS A 6 15.559 -7.760 0.865 1.00 1.00 C ATOM 91 O HIS A 6 14.748 -8.658 0.646 1.00 1.00 O ATOM 92 CB HIS A 6 15.586 -6.277 -1.143 1.00 1.00 C ATOM 93 CG HIS A 6 16.416 -5.804 -2.303 1.00 1.00 C ATOM 94 ND1 HIS A 6 16.574 -6.558 -3.456 1.00 1.00 N ATOM 95 CD2 HIS A 6 17.141 -4.655 -2.507 1.00 1.00 C ATOM 96 CE1 HIS A 6 17.365 -5.862 -4.292 1.00 1.00 C ATOM 97 NE2 HIS A 6 17.738 -4.694 -3.763 1.00 1.00 N ATOM 0 H HIS A 6 16.346 -8.688 -1.735 1.00 1.00 H new ATOM 0 HA HIS A 6 17.247 -6.633 0.181 1.00 1.00 H new ATOM 0 HB2 HIS A 6 14.704 -6.806 -1.505 1.00 1.00 H new ATOM 0 HB3 HIS A 6 15.231 -5.424 -0.564 1.00 1.00 H new ATOM 0 HD2 HIS A 6 17.233 -3.844 -1.799 1.00 1.00 H new ATOM 0 HE1 HIS A 6 17.662 -6.206 -5.272 1.00 1.00 H new ATOM 0 HE2 HIS A 6 18.333 -3.983 -4.188 1.00 1.00 H new ATOM 105 N HIS A 7 15.736 -7.222 2.068 1.00 1.00 N ATOM 106 CA HIS A 7 14.963 -7.676 3.218 1.00 1.00 C ATOM 107 C HIS A 7 13.616 -6.964 3.273 1.00 1.00 C ATOM 108 O HIS A 7 12.769 -7.151 2.400 1.00 1.00 O ATOM 109 CB HIS A 7 15.740 -7.403 4.509 1.00 1.00 C ATOM 110 CG HIS A 7 14.946 -7.896 5.686 1.00 1.00 C ATOM 111 ND1 HIS A 7 13.654 -8.382 5.555 1.00 1.00 N ATOM 112 CD2 HIS A 7 15.246 -7.984 7.023 1.00 1.00 C ATOM 113 CE1 HIS A 7 13.229 -8.739 6.781 1.00 1.00 C ATOM 114 NE2 HIS A 7 14.160 -8.516 7.713 1.00 1.00 N ATOM 0 H HIS A 7 16.403 -6.477 2.271 1.00 1.00 H new ATOM 0 HA HIS A 7 14.790 -8.747 3.117 1.00 1.00 H new ATOM 0 HB2 HIS A 7 16.708 -7.902 4.475 1.00 1.00 H new ATOM 0 HB3 HIS A 7 15.935 -6.335 4.610 1.00 1.00 H new ATOM 0 HD2 HIS A 7 16.182 -7.686 7.471 1.00 1.00 H new ATOM 0 HE1 HIS A 7 12.254 -9.155 6.987 1.00 1.00 H new ATOM 0 HE2 HIS A 7 14.090 -8.697 8.714 1.00 1.00 H new ATOM 122 N SER A 8 13.426 -6.148 4.304 1.00 1.00 N ATOM 123 CA SER A 8 12.176 -5.413 4.463 1.00 1.00 C ATOM 124 C SER A 8 12.385 -4.186 5.344 1.00 1.00 C ATOM 125 O SER A 8 12.081 -4.207 6.537 1.00 1.00 O ATOM 126 CB SER A 8 11.114 -6.318 5.091 1.00 1.00 C ATOM 127 OG SER A 8 11.109 -7.570 4.418 1.00 1.00 O ATOM 0 H SER A 8 14.115 -5.979 5.037 1.00 1.00 H new ATOM 0 HA SER A 8 11.840 -5.087 3.478 1.00 1.00 H new ATOM 0 HB2 SER A 8 11.323 -6.462 6.151 1.00 1.00 H new ATOM 0 HB3 SER A 8 10.132 -5.850 5.020 1.00 1.00 H new ATOM 0 HG SER A 8 11.860 -8.114 4.734 1.00 1.00 H new ATOM 133 N SER A 9 12.904 -3.117 4.748 1.00 1.00 N ATOM 134 CA SER A 9 13.150 -1.885 5.488 1.00 1.00 C ATOM 135 C SER A 9 12.715 -0.672 4.671 1.00 1.00 C ATOM 136 O SER A 9 13.447 -0.208 3.796 1.00 1.00 O ATOM 137 CB SER A 9 14.637 -1.767 5.824 1.00 1.00 C ATOM 138 OG SER A 9 14.921 -2.557 6.973 1.00 1.00 O ATOM 0 H SER A 9 13.161 -3.079 3.762 1.00 1.00 H new ATOM 0 HA SER A 9 12.569 -1.915 6.410 1.00 1.00 H new ATOM 0 HB2 SER A 9 15.240 -2.101 4.980 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.898 -0.725 6.010 1.00 1.00 H new ATOM 0 HG SER A 9 15.874 -2.486 7.191 1.00 1.00 H new ATOM 144 N GLY A 10 11.519 -0.168 4.964 1.00 1.00 N ATOM 145 CA GLY A 10 10.986 0.993 4.255 1.00 1.00 C ATOM 146 C GLY A 10 10.759 2.157 5.213 1.00 1.00 C ATOM 147 O GLY A 10 10.462 1.956 6.389 1.00 1.00 O ATOM 0 H GLY A 10 10.902 -0.543 5.685 1.00 1.00 H new ATOM 0 HA2 GLY A 10 11.678 1.293 3.469 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.047 0.728 3.769 1.00 1.00 H new ATOM 151 N LEU A 11 10.898 3.375 4.700 1.00 1.00 N ATOM 152 CA LEU A 11 10.705 4.565 5.519 1.00 1.00 C ATOM 153 C LEU A 11 9.221 4.906 5.628 1.00 1.00 C ATOM 154 O LEU A 11 8.428 4.549 4.757 1.00 1.00 O ATOM 155 CB LEU A 11 11.459 5.748 4.910 1.00 1.00 C ATOM 156 CG LEU A 11 11.333 5.705 3.386 1.00 1.00 C ATOM 157 CD1 LEU A 11 11.262 7.131 2.837 1.00 1.00 C ATOM 158 CD2 LEU A 11 12.552 4.993 2.795 1.00 1.00 C ATOM 0 H LEU A 11 11.142 3.563 3.728 1.00 1.00 H new ATOM 0 HA LEU A 11 11.094 4.362 6.517 1.00 1.00 H new ATOM 0 HB2 LEU A 11 11.055 6.686 5.292 1.00 1.00 H new ATOM 0 HB3 LEU A 11 12.509 5.711 5.200 1.00 1.00 H new ATOM 0 HG LEU A 11 10.426 5.166 3.112 1.00 1.00 H new ATOM 0 HD11 LEU A 11 11.172 7.099 1.751 1.00 1.00 H new ATOM 0 HD12 LEU A 11 10.395 7.640 3.258 1.00 1.00 H new ATOM 0 HD13 LEU A 11 12.168 7.672 3.110 1.00 1.00 H new ATOM 0 HD21 LEU A 11 12.464 4.961 1.709 1.00 1.00 H new ATOM 0 HD22 LEU A 11 13.458 5.533 3.070 1.00 1.00 H new ATOM 0 HD23 LEU A 11 12.604 3.976 3.184 1.00 1.00 H new ATOM 170 N VAL A 12 8.855 5.595 6.704 1.00 1.00 N ATOM 171 CA VAL A 12 7.465 5.979 6.922 1.00 1.00 C ATOM 172 C VAL A 12 7.373 7.442 7.344 1.00 1.00 C ATOM 173 O VAL A 12 7.081 7.747 8.502 1.00 1.00 O ATOM 174 CB VAL A 12 6.844 5.095 8.005 1.00 1.00 C ATOM 175 CG1 VAL A 12 6.884 3.633 7.554 1.00 1.00 C ATOM 176 CG2 VAL A 12 7.638 5.248 9.304 1.00 1.00 C ATOM 0 H VAL A 12 9.498 5.898 7.435 1.00 1.00 H new ATOM 0 HA VAL A 12 6.920 5.847 5.987 1.00 1.00 H new ATOM 0 HB VAL A 12 5.810 5.397 8.172 1.00 1.00 H new ATOM 0 HG11 VAL A 12 6.442 3.002 8.325 1.00 1.00 H new ATOM 0 HG12 VAL A 12 6.321 3.523 6.627 1.00 1.00 H new ATOM 0 HG13 VAL A 12 7.918 3.332 7.388 1.00 1.00 H new ATOM 0 HG21 VAL A 12 7.196 4.619 10.077 1.00 1.00 H new ATOM 0 HG22 VAL A 12 8.672 4.946 9.136 1.00 1.00 H new ATOM 0 HG23 VAL A 12 7.612 6.289 9.626 1.00 1.00 H new ATOM 186 N PRO A 13 7.615 8.345 6.432 1.00 1.00 N ATOM 187 CA PRO A 13 7.562 9.806 6.709 1.00 1.00 C ATOM 188 C PRO A 13 6.134 10.346 6.683 1.00 1.00 C ATOM 189 O PRO A 13 5.171 9.582 6.717 1.00 1.00 O ATOM 190 CB PRO A 13 8.397 10.408 5.581 1.00 1.00 C ATOM 191 CG PRO A 13 8.281 9.449 4.439 1.00 1.00 C ATOM 192 CD PRO A 13 7.968 8.070 5.031 1.00 1.00 C ATOM 0 HA PRO A 13 7.934 10.053 7.703 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.027 11.395 5.303 1.00 1.00 H new ATOM 0 HB3 PRO A 13 9.436 10.531 5.885 1.00 1.00 H new ATOM 0 HG2 PRO A 13 7.493 9.761 3.754 1.00 1.00 H new ATOM 0 HG3 PRO A 13 9.208 9.420 3.866 1.00 1.00 H new ATOM 0 HD2 PRO A 13 7.146 7.587 4.502 1.00 1.00 H new ATOM 0 HD3 PRO A 13 8.827 7.403 4.961 1.00 1.00 H new ATOM 200 N ARG A 14 6.009 11.668 6.622 1.00 1.00 N ATOM 201 CA ARG A 14 4.694 12.301 6.593 1.00 1.00 C ATOM 202 C ARG A 14 4.692 13.483 5.630 1.00 1.00 C ATOM 203 O ARG A 14 3.790 14.321 5.661 1.00 1.00 O ATOM 204 CB ARG A 14 4.301 12.782 7.996 1.00 1.00 C ATOM 205 CG ARG A 14 5.490 12.639 8.954 1.00 1.00 C ATOM 206 CD ARG A 14 6.656 13.494 8.455 1.00 1.00 C ATOM 207 NE ARG A 14 7.107 14.398 9.508 1.00 1.00 N ATOM 208 CZ ARG A 14 6.504 15.562 9.719 1.00 1.00 C ATOM 209 NH1 ARG A 14 5.493 15.917 8.975 1.00 1.00 N ATOM 210 NH2 ARG A 14 6.926 16.353 10.667 1.00 1.00 N ATOM 0 H ARG A 14 6.795 12.318 6.592 1.00 1.00 H new ATOM 0 HA ARG A 14 3.969 11.562 6.252 1.00 1.00 H new ATOM 0 HB2 ARG A 14 3.980 13.823 7.955 1.00 1.00 H new ATOM 0 HB3 ARG A 14 3.455 12.201 8.364 1.00 1.00 H new ATOM 0 HG2 ARG A 14 5.201 12.950 9.958 1.00 1.00 H new ATOM 0 HG3 ARG A 14 5.794 11.594 9.019 1.00 1.00 H new ATOM 0 HD2 ARG A 14 7.479 12.852 8.141 1.00 1.00 H new ATOM 0 HD3 ARG A 14 6.347 14.068 7.581 1.00 1.00 H new ATOM 0 HE ARG A 14 7.899 14.131 10.092 1.00 1.00 H new ATOM 0 HH11 ARG A 14 5.166 15.300 8.231 1.00 1.00 H new ATOM 0 HH12 ARG A 14 5.030 16.811 9.137 1.00 1.00 H new ATOM 0 HH21 ARG A 14 7.719 16.077 11.246 1.00 1.00 H new ATOM 0 HH22 ARG A 14 6.463 17.247 10.829 1.00 1.00 H new ATOM 224 N GLY A 15 5.710 13.542 4.773 1.00 1.00 N ATOM 225 CA GLY A 15 5.821 14.624 3.798 1.00 1.00 C ATOM 226 C GLY A 15 6.047 14.071 2.396 1.00 1.00 C ATOM 227 O GLY A 15 6.058 14.819 1.418 1.00 1.00 O ATOM 0 H GLY A 15 6.465 12.857 4.734 1.00 1.00 H new ATOM 0 HA2 GLY A 15 4.913 15.227 3.813 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.646 15.282 4.071 1.00 1.00 H new ATOM 231 N SER A 16 6.227 12.757 2.305 1.00 1.00 N ATOM 232 CA SER A 16 6.452 12.113 1.016 1.00 1.00 C ATOM 233 C SER A 16 5.127 11.686 0.393 1.00 1.00 C ATOM 234 O SER A 16 5.101 10.906 -0.559 1.00 1.00 O ATOM 235 CB SER A 16 7.352 10.890 1.193 1.00 1.00 C ATOM 236 OG SER A 16 8.376 11.193 2.131 1.00 1.00 O ATOM 0 H SER A 16 6.222 12.121 3.103 1.00 1.00 H new ATOM 0 HA SER A 16 6.939 12.829 0.353 1.00 1.00 H new ATOM 0 HB2 SER A 16 6.765 10.039 1.540 1.00 1.00 H new ATOM 0 HB3 SER A 16 7.791 10.606 0.237 1.00 1.00 H new ATOM 0 HG SER A 16 9.119 10.563 2.019 1.00 1.00 H new ATOM 242 N GLN A 17 4.029 12.203 0.937 1.00 1.00 N ATOM 243 CA GLN A 17 2.705 11.869 0.426 1.00 1.00 C ATOM 244 C GLN A 17 2.707 11.840 -1.100 1.00 1.00 C ATOM 245 O GLN A 17 1.909 11.136 -1.718 1.00 1.00 O ATOM 246 CB GLN A 17 1.683 12.897 0.916 1.00 1.00 C ATOM 247 CG GLN A 17 0.329 12.626 0.260 1.00 1.00 C ATOM 248 CD GLN A 17 -0.796 12.896 1.254 1.00 1.00 C ATOM 249 OE1 GLN A 17 -0.906 14.003 1.782 1.00 1.00 O ATOM 250 NE2 GLN A 17 -1.642 11.945 1.544 1.00 1.00 N ATOM 0 H GLN A 17 4.030 12.850 1.726 1.00 1.00 H new ATOM 0 HA GLN A 17 2.434 10.880 0.795 1.00 1.00 H new ATOM 0 HB2 GLN A 17 1.590 12.844 2.001 1.00 1.00 H new ATOM 0 HB3 GLN A 17 2.021 13.905 0.674 1.00 1.00 H new ATOM 0 HG2 GLN A 17 0.208 13.259 -0.619 1.00 1.00 H new ATOM 0 HG3 GLN A 17 0.282 11.592 -0.083 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -1.549 11.029 1.106 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.396 12.118 2.209 1.00 1.00 H new ATOM 259 N GLU A 18 3.609 12.611 -1.700 1.00 1.00 N ATOM 260 CA GLU A 18 3.705 12.666 -3.154 1.00 1.00 C ATOM 261 C GLU A 18 4.202 11.336 -3.709 1.00 1.00 C ATOM 262 O GLU A 18 3.492 10.659 -4.453 1.00 1.00 O ATOM 263 CB GLU A 18 4.661 13.785 -3.573 1.00 1.00 C ATOM 264 CG GLU A 18 3.871 15.077 -3.783 1.00 1.00 C ATOM 265 CD GLU A 18 3.111 15.016 -5.104 1.00 1.00 C ATOM 266 OE1 GLU A 18 3.757 15.050 -6.138 1.00 1.00 O ATOM 267 OE2 GLU A 18 1.894 14.939 -5.061 1.00 1.00 O ATOM 0 H GLU A 18 4.278 13.201 -1.206 1.00 1.00 H new ATOM 0 HA GLU A 18 2.712 12.867 -3.557 1.00 1.00 H new ATOM 0 HB2 GLU A 18 5.423 13.932 -2.808 1.00 1.00 H new ATOM 0 HB3 GLU A 18 5.180 13.510 -4.491 1.00 1.00 H new ATOM 0 HG2 GLU A 18 3.173 15.224 -2.959 1.00 1.00 H new ATOM 0 HG3 GLU A 18 4.548 15.931 -3.783 1.00 1.00 H new ATOM 274 N ILE A 19 5.425 10.965 -3.342 1.00 1.00 N ATOM 275 CA ILE A 19 6.003 9.710 -3.811 1.00 1.00 C ATOM 276 C ILE A 19 5.085 8.546 -3.466 1.00 1.00 C ATOM 277 O ILE A 19 5.000 7.566 -4.207 1.00 1.00 O ATOM 278 CB ILE A 19 7.371 9.491 -3.164 1.00 1.00 C ATOM 279 CG1 ILE A 19 8.325 10.605 -3.603 1.00 1.00 C ATOM 280 CG2 ILE A 19 7.933 8.138 -3.604 1.00 1.00 C ATOM 281 CD1 ILE A 19 9.410 10.794 -2.541 1.00 1.00 C ATOM 0 H ILE A 19 6.030 11.509 -2.727 1.00 1.00 H new ATOM 0 HA ILE A 19 6.120 9.763 -4.893 1.00 1.00 H new ATOM 0 HB ILE A 19 7.267 9.506 -2.079 1.00 1.00 H new ATOM 0 HG12 ILE A 19 8.779 10.353 -4.561 1.00 1.00 H new ATOM 0 HG13 ILE A 19 7.774 11.535 -3.746 1.00 1.00 H new ATOM 0 HG21 ILE A 19 8.908 7.982 -3.143 1.00 1.00 H new ATOM 0 HG22 ILE A 19 7.254 7.344 -3.294 1.00 1.00 H new ATOM 0 HG23 ILE A 19 8.038 8.123 -4.689 1.00 1.00 H new ATOM 0 HD11 ILE A 19 10.090 11.587 -2.853 1.00 1.00 H new ATOM 0 HD12 ILE A 19 8.947 11.065 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 19 9.967 9.865 -2.421 1.00 1.00 H new ATOM 293 N GLU A 20 4.395 8.662 -2.338 1.00 1.00 N ATOM 294 CA GLU A 20 3.480 7.617 -1.902 1.00 1.00 C ATOM 295 C GLU A 20 2.331 7.474 -2.893 1.00 1.00 C ATOM 296 O GLU A 20 1.921 6.363 -3.227 1.00 1.00 O ATOM 297 CB GLU A 20 2.923 7.953 -0.519 1.00 1.00 C ATOM 298 CG GLU A 20 4.043 7.858 0.520 1.00 1.00 C ATOM 299 CD GLU A 20 4.141 6.433 1.054 1.00 1.00 C ATOM 300 OE1 GLU A 20 3.830 5.518 0.308 1.00 1.00 O ATOM 301 OE2 GLU A 20 4.532 6.277 2.199 1.00 1.00 O ATOM 0 H GLU A 20 4.452 9.465 -1.712 1.00 1.00 H new ATOM 0 HA GLU A 20 4.027 6.675 -1.852 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.498 8.957 -0.521 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.116 7.266 -0.263 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.992 8.153 0.072 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.849 8.550 1.340 1.00 1.00 H new ATOM 308 N ALA A 21 1.814 8.606 -3.356 1.00 1.00 N ATOM 309 CA ALA A 21 0.707 8.594 -4.306 1.00 1.00 C ATOM 310 C ALA A 21 1.076 7.803 -5.557 1.00 1.00 C ATOM 311 O ALA A 21 0.385 6.856 -5.929 1.00 1.00 O ATOM 312 CB ALA A 21 0.333 10.026 -4.697 1.00 1.00 C ATOM 0 H ALA A 21 2.139 9.536 -3.092 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.147 8.114 -3.827 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.494 10.005 -5.406 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.034 10.580 -3.807 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.193 10.514 -5.156 1.00 1.00 H new ATOM 318 N LYS A 22 2.167 8.196 -6.205 1.00 1.00 N ATOM 319 CA LYS A 22 2.605 7.509 -7.413 1.00 1.00 C ATOM 320 C LYS A 22 2.700 6.008 -7.164 1.00 1.00 C ATOM 321 O LYS A 22 2.374 5.204 -8.035 1.00 1.00 O ATOM 322 CB LYS A 22 3.968 8.053 -7.860 1.00 1.00 C ATOM 323 CG LYS A 22 4.416 7.374 -9.161 1.00 1.00 C ATOM 324 CD LYS A 22 3.407 7.663 -10.276 1.00 1.00 C ATOM 325 CE LYS A 22 4.122 7.651 -11.629 1.00 1.00 C ATOM 326 NZ LYS A 22 3.148 7.294 -12.700 1.00 1.00 N ATOM 0 H LYS A 22 2.758 8.977 -5.918 1.00 1.00 H new ATOM 0 HA LYS A 22 1.874 7.687 -8.201 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.905 9.131 -8.008 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.709 7.881 -7.079 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.403 7.736 -9.449 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.504 6.298 -9.008 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.614 6.915 -10.266 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.935 8.631 -10.111 1.00 1.00 H new ATOM 0 HE2 LYS A 22 4.559 8.629 -11.831 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.942 6.933 -11.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.632 7.285 -13.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.751 6.352 -12.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.380 7.995 -12.719 1.00 1.00 H new ATOM 340 N GLU A 23 3.140 5.637 -5.966 1.00 1.00 N ATOM 341 CA GLU A 23 3.265 4.229 -5.617 1.00 1.00 C ATOM 342 C GLU A 23 1.883 3.622 -5.429 1.00 1.00 C ATOM 343 O GLU A 23 1.554 2.599 -6.026 1.00 1.00 O ATOM 344 CB GLU A 23 4.075 4.074 -4.327 1.00 1.00 C ATOM 345 CG GLU A 23 5.567 4.110 -4.655 1.00 1.00 C ATOM 346 CD GLU A 23 6.080 2.695 -4.900 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.010 2.249 -6.033 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.538 2.079 -3.952 1.00 1.00 O ATOM 0 H GLU A 23 3.413 6.286 -5.228 1.00 1.00 H new ATOM 0 HA GLU A 23 3.782 3.710 -6.424 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.826 4.874 -3.630 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.822 3.134 -3.837 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.739 4.726 -5.537 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.118 4.568 -3.834 1.00 1.00 H new ATOM 355 N ALA A 24 1.085 4.266 -4.589 1.00 1.00 N ATOM 356 CA ALA A 24 -0.265 3.798 -4.313 1.00 1.00 C ATOM 357 C ALA A 24 -0.935 3.273 -5.577 1.00 1.00 C ATOM 358 O ALA A 24 -1.484 2.172 -5.585 1.00 1.00 O ATOM 359 CB ALA A 24 -1.094 4.943 -3.730 1.00 1.00 C ATOM 0 H ALA A 24 1.349 5.114 -4.087 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.204 2.980 -3.595 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.105 4.592 -3.524 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.634 5.290 -2.805 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.134 5.764 -4.446 1.00 1.00 H new ATOM 365 N CYS A 25 -0.895 4.067 -6.641 1.00 1.00 N ATOM 366 CA CYS A 25 -1.514 3.669 -7.902 1.00 1.00 C ATOM 367 C CYS A 25 -0.675 2.614 -8.618 1.00 1.00 C ATOM 368 O CYS A 25 -1.217 1.704 -9.246 1.00 1.00 O ATOM 369 CB CYS A 25 -1.677 4.892 -8.806 1.00 1.00 C ATOM 370 SG CYS A 25 -1.239 4.448 -10.505 1.00 1.00 S ATOM 0 H CYS A 25 -0.445 4.982 -6.658 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.491 3.240 -7.681 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.705 5.253 -8.766 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.040 5.704 -8.455 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.379 5.486 -11.275 1.00 1.00 H new ATOM 376 N ASP A 26 0.644 2.737 -8.523 1.00 1.00 N ATOM 377 CA ASP A 26 1.534 1.776 -9.170 1.00 1.00 C ATOM 378 C ASP A 26 1.535 0.459 -8.404 1.00 1.00 C ATOM 379 O ASP A 26 1.937 -0.579 -8.931 1.00 1.00 O ATOM 380 CB ASP A 26 2.957 2.335 -9.234 1.00 1.00 C ATOM 381 CG ASP A 26 3.736 1.663 -10.359 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.589 0.462 -10.522 1.00 1.00 O ATOM 383 OD2 ASP A 26 4.468 2.359 -11.041 1.00 1.00 O ATOM 0 H ASP A 26 1.118 3.482 -8.012 1.00 1.00 H new ATOM 0 HA ASP A 26 1.174 1.598 -10.183 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.925 3.412 -9.397 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.463 2.171 -8.283 1.00 1.00 H new ATOM 388 N TRP A 27 1.076 0.511 -7.160 1.00 1.00 N ATOM 389 CA TRP A 27 1.018 -0.681 -6.324 1.00 1.00 C ATOM 390 C TRP A 27 -0.354 -1.334 -6.438 1.00 1.00 C ATOM 391 O TRP A 27 -0.466 -2.548 -6.589 1.00 1.00 O ATOM 392 CB TRP A 27 1.292 -0.310 -4.866 1.00 1.00 C ATOM 393 CG TRP A 27 1.347 -1.552 -4.040 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.441 -2.332 -3.883 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.286 -2.174 -3.259 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.119 -3.393 -3.055 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.802 -3.338 -2.644 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.062 -1.843 -3.027 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.010 -4.147 -1.828 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.861 -2.653 -2.205 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.326 -3.803 -1.607 1.00 1.00 C ATOM 0 H TRP A 27 0.740 1.362 -6.709 1.00 1.00 H new ATOM 0 HA TRP A 27 1.777 -1.385 -6.664 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.234 0.233 -4.788 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.510 0.352 -4.495 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.408 -2.156 -4.331 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.774 -4.126 -2.782 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.484 -0.960 -3.484 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.427 -5.032 -1.371 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.894 -2.389 -2.032 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.946 -4.422 -0.976 1.00 1.00 H new ATOM 412 N LEU A 28 -1.396 -0.513 -6.359 1.00 1.00 N ATOM 413 CA LEU A 28 -2.762 -1.010 -6.456 1.00 1.00 C ATOM 414 C LEU A 28 -2.875 -2.072 -7.546 1.00 1.00 C ATOM 415 O LEU A 28 -3.652 -3.020 -7.425 1.00 1.00 O ATOM 416 CB LEU A 28 -3.706 0.147 -6.786 1.00 1.00 C ATOM 417 CG LEU A 28 -4.140 0.862 -5.500 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.545 2.296 -5.831 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.337 0.142 -4.863 1.00 1.00 C ATOM 0 H LEU A 28 -1.320 0.496 -6.229 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.035 -1.455 -5.499 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.209 0.852 -7.452 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.582 -0.229 -7.315 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.305 0.857 -4.799 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.854 2.807 -4.919 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.697 2.821 -6.271 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.373 2.286 -6.539 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.632 0.662 -3.952 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.172 0.135 -5.563 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -5.058 -0.884 -4.621 1.00 1.00 H new ATOM 431 N ARG A 29 -2.099 -1.903 -8.611 1.00 1.00 N ATOM 432 CA ARG A 29 -2.125 -2.847 -9.723 1.00 1.00 C ATOM 433 C ARG A 29 -1.215 -4.040 -9.444 1.00 1.00 C ATOM 434 O ARG A 29 -1.428 -5.131 -9.974 1.00 1.00 O ATOM 435 CB ARG A 29 -1.675 -2.148 -11.008 1.00 1.00 C ATOM 436 CG ARG A 29 -0.350 -1.424 -10.759 1.00 1.00 C ATOM 437 CD ARG A 29 0.194 -0.889 -12.084 1.00 1.00 C ATOM 438 NE ARG A 29 -0.899 -0.396 -12.917 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.478 0.774 -12.668 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.078 1.498 -11.658 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.446 1.198 -13.434 1.00 1.00 N ATOM 0 H ARG A 29 -1.448 -1.127 -8.728 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.146 -3.209 -9.842 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.558 -2.878 -11.809 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.435 -1.437 -11.333 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.498 -0.604 -10.056 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.370 -2.106 -10.306 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.907 -0.087 -11.895 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.733 -1.678 -12.609 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.224 -0.959 -13.703 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.321 1.166 -11.060 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.522 2.396 -11.467 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -2.757 0.631 -14.223 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -2.891 2.096 -13.244 1.00 1.00 H new ATOM 455 N ALA A 30 -0.205 -3.828 -8.609 1.00 1.00 N ATOM 456 CA ALA A 30 0.728 -4.895 -8.267 1.00 1.00 C ATOM 457 C ALA A 30 0.142 -5.784 -7.176 1.00 1.00 C ATOM 458 O ALA A 30 0.643 -6.880 -6.917 1.00 1.00 O ATOM 459 CB ALA A 30 2.051 -4.299 -7.786 1.00 1.00 C ATOM 0 H ALA A 30 -0.012 -2.933 -8.159 1.00 1.00 H new ATOM 0 HA ALA A 30 0.906 -5.498 -9.158 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.742 -5.103 -7.533 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.483 -3.686 -8.577 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.873 -3.682 -6.905 1.00 1.00 H new ATOM 465 N ALA A 31 -0.922 -5.308 -6.539 1.00 1.00 N ATOM 466 CA ALA A 31 -1.570 -6.070 -5.476 1.00 1.00 C ATOM 467 C ALA A 31 -2.768 -6.840 -6.024 1.00 1.00 C ATOM 468 O ALA A 31 -2.996 -7.993 -5.657 1.00 1.00 O ATOM 469 CB ALA A 31 -2.034 -5.125 -4.367 1.00 1.00 C ATOM 0 H ALA A 31 -1.352 -4.405 -6.738 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.849 -6.780 -5.071 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.517 -5.700 -3.577 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.174 -4.596 -3.957 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.742 -4.404 -4.776 1.00 1.00 H new ATOM 475 N GLY A 32 -3.528 -6.197 -6.903 1.00 1.00 N ATOM 476 CA GLY A 32 -4.699 -6.833 -7.495 1.00 1.00 C ATOM 477 C GLY A 32 -5.875 -5.863 -7.560 1.00 1.00 C ATOM 478 O GLY A 32 -7.029 -6.263 -7.416 1.00 1.00 O ATOM 0 H GLY A 32 -3.356 -5.243 -7.220 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -4.458 -7.185 -8.498 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.977 -7.708 -6.908 1.00 1.00 H new ATOM 482 N PHE A 33 -5.572 -4.588 -7.775 1.00 1.00 N ATOM 483 CA PHE A 33 -6.613 -3.569 -7.857 1.00 1.00 C ATOM 484 C PHE A 33 -6.257 -2.520 -8.908 1.00 1.00 C ATOM 485 O PHE A 33 -6.185 -1.329 -8.608 1.00 1.00 O ATOM 486 CB PHE A 33 -6.784 -2.890 -6.498 1.00 1.00 C ATOM 487 CG PHE A 33 -6.930 -3.941 -5.422 1.00 1.00 C ATOM 488 CD1 PHE A 33 -8.015 -4.826 -5.454 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.982 -4.031 -4.395 1.00 1.00 C ATOM 490 CE1 PHE A 33 -8.151 -5.801 -4.459 1.00 1.00 C ATOM 491 CE2 PHE A 33 -6.118 -5.006 -3.400 1.00 1.00 C ATOM 492 CZ PHE A 33 -7.204 -5.891 -3.432 1.00 1.00 C ATOM 0 H PHE A 33 -4.622 -4.237 -7.895 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.547 -4.053 -8.144 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.924 -2.255 -6.286 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.662 -2.244 -6.511 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.746 -4.756 -6.246 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.146 -3.348 -4.371 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.987 -6.484 -4.484 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.387 -5.076 -2.608 1.00 1.00 H new ATOM 0 HZ PHE A 33 -7.310 -6.643 -2.664 1.00 1.00 H new ATOM 502 N PRO A 34 -6.036 -2.941 -10.125 1.00 1.00 N ATOM 503 CA PRO A 34 -5.680 -2.019 -11.241 1.00 1.00 C ATOM 504 C PRO A 34 -6.856 -1.136 -11.646 1.00 1.00 C ATOM 505 O PRO A 34 -6.695 -0.176 -12.401 1.00 1.00 O ATOM 506 CB PRO A 34 -5.282 -2.958 -12.382 1.00 1.00 C ATOM 507 CG PRO A 34 -5.961 -4.254 -12.086 1.00 1.00 C ATOM 508 CD PRO A 34 -6.105 -4.341 -10.569 1.00 1.00 C ATOM 0 HA PRO A 34 -4.885 -1.327 -10.963 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.598 -2.560 -13.346 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.200 -3.083 -12.428 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.937 -4.298 -12.570 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.378 -5.092 -12.467 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.049 -4.804 -10.284 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.309 -4.940 -10.126 1.00 1.00 H new ATOM 516 N GLN A 35 -8.038 -1.467 -11.137 1.00 1.00 N ATOM 517 CA GLN A 35 -9.236 -0.697 -11.450 1.00 1.00 C ATOM 518 C GLN A 35 -9.371 0.488 -10.502 1.00 1.00 C ATOM 519 O GLN A 35 -10.098 1.442 -10.781 1.00 1.00 O ATOM 520 CB GLN A 35 -10.475 -1.587 -11.336 1.00 1.00 C ATOM 521 CG GLN A 35 -10.606 -2.096 -9.900 1.00 1.00 C ATOM 522 CD GLN A 35 -11.472 -1.142 -9.085 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.593 -0.825 -9.485 1.00 1.00 O ATOM 524 NE2 GLN A 35 -11.020 -0.667 -7.957 1.00 1.00 N ATOM 0 H GLN A 35 -8.192 -2.257 -10.511 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.150 -0.325 -12.471 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.366 -1.026 -11.617 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.397 -2.428 -12.026 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.047 -3.093 -9.898 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.619 -2.183 -9.445 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -10.091 -0.931 -7.628 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -11.595 -0.032 -7.404 1.00 1.00 H new ATOM 533 N TYR A 36 -8.663 0.424 -9.377 1.00 1.00 N ATOM 534 CA TYR A 36 -8.710 1.499 -8.395 1.00 1.00 C ATOM 535 C TYR A 36 -7.991 2.733 -8.931 1.00 1.00 C ATOM 536 O TYR A 36 -8.614 3.757 -9.206 1.00 1.00 O ATOM 537 CB TYR A 36 -8.039 1.037 -7.098 1.00 1.00 C ATOM 538 CG TYR A 36 -8.948 1.297 -5.918 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.537 2.556 -5.746 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.196 0.276 -4.992 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.375 2.795 -4.650 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.034 0.515 -3.895 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.622 1.774 -3.724 1.00 1.00 C ATOM 544 OH TYR A 36 -11.452 2.009 -2.648 1.00 1.00 O ATOM 0 H TYR A 36 -8.055 -0.355 -9.126 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.751 1.754 -8.197 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.806 -0.026 -7.159 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.094 1.563 -6.961 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.345 3.343 -6.460 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.742 -0.695 -5.123 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -10.830 3.766 -4.519 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.226 -0.272 -3.181 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.228 2.873 -2.244 1.00 1.00 H new ATOM 554 N ALA A 37 -6.674 2.620 -9.081 1.00 1.00 N ATOM 555 CA ALA A 37 -5.865 3.724 -9.592 1.00 1.00 C ATOM 556 C ALA A 37 -6.589 4.449 -10.722 1.00 1.00 C ATOM 557 O ALA A 37 -6.476 5.666 -10.866 1.00 1.00 O ATOM 558 CB ALA A 37 -4.528 3.189 -10.107 1.00 1.00 C ATOM 0 H ALA A 37 -6.145 1.777 -8.857 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.693 4.429 -8.778 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.928 4.015 -10.487 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.995 2.698 -9.293 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.707 2.472 -10.908 1.00 1.00 H new ATOM 564 N GLN A 38 -7.327 3.690 -11.523 1.00 1.00 N ATOM 565 CA GLN A 38 -8.062 4.262 -12.644 1.00 1.00 C ATOM 566 C GLN A 38 -8.908 5.452 -12.195 1.00 1.00 C ATOM 567 O GLN A 38 -9.045 6.435 -12.923 1.00 1.00 O ATOM 568 CB GLN A 38 -8.967 3.195 -13.262 1.00 1.00 C ATOM 569 CG GLN A 38 -8.470 2.850 -14.668 1.00 1.00 C ATOM 570 CD GLN A 38 -8.690 4.034 -15.603 1.00 1.00 C ATOM 571 OE1 GLN A 38 -8.311 3.979 -16.774 1.00 1.00 O ATOM 572 NE2 GLN A 38 -9.283 5.106 -15.156 1.00 1.00 N ATOM 0 H GLN A 38 -7.432 2.681 -11.418 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.342 4.611 -13.384 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.971 2.302 -12.638 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.994 3.557 -13.307 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.411 2.593 -14.636 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.999 1.975 -15.045 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -9.596 5.149 -14.186 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -9.434 5.902 -15.776 1.00 1.00 H new ATOM 581 N LEU A 39 -9.481 5.355 -11.000 1.00 1.00 N ATOM 582 CA LEU A 39 -10.318 6.428 -10.476 1.00 1.00 C ATOM 583 C LEU A 39 -9.496 7.684 -10.199 1.00 1.00 C ATOM 584 O LEU A 39 -9.977 8.802 -10.386 1.00 1.00 O ATOM 585 CB LEU A 39 -11.007 5.976 -9.182 1.00 1.00 C ATOM 586 CG LEU A 39 -12.509 5.783 -9.424 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.731 4.592 -10.357 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.206 5.518 -8.088 1.00 1.00 C ATOM 0 H LEU A 39 -9.382 4.551 -10.380 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.069 6.663 -11.230 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.564 5.043 -8.832 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -10.849 6.717 -8.399 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.921 6.682 -9.882 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.799 4.457 -10.527 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -12.233 4.777 -11.308 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.320 3.691 -9.901 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.274 5.380 -8.256 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.791 4.618 -7.633 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.050 6.366 -7.422 1.00 1.00 H new ATOM 600 N TYR A 40 -8.255 7.501 -9.754 1.00 1.00 N ATOM 601 CA TYR A 40 -7.391 8.640 -9.463 1.00 1.00 C ATOM 602 C TYR A 40 -7.514 9.688 -10.561 1.00 1.00 C ATOM 603 O TYR A 40 -7.753 10.864 -10.287 1.00 1.00 O ATOM 604 CB TYR A 40 -5.935 8.182 -9.346 1.00 1.00 C ATOM 605 CG TYR A 40 -5.063 9.358 -8.964 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.225 9.972 -7.716 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.092 9.830 -9.856 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.416 11.059 -7.361 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.284 10.915 -9.501 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.446 11.531 -8.253 1.00 1.00 C ATOM 611 OH TYR A 40 -2.649 12.600 -7.902 1.00 1.00 O ATOM 0 H TYR A 40 -7.831 6.588 -9.589 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.703 9.080 -8.516 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.850 7.395 -8.597 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.599 7.759 -10.293 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.973 9.608 -7.028 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.967 9.356 -10.818 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.541 11.533 -6.399 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.535 11.278 -10.189 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.028 12.799 -8.634 1.00 1.00 H new ATOM 621 N GLU A 41 -7.355 9.254 -11.806 1.00 1.00 N ATOM 622 CA GLU A 41 -7.457 10.164 -12.938 1.00 1.00 C ATOM 623 C GLU A 41 -8.703 11.034 -12.807 1.00 1.00 C ATOM 624 O GLU A 41 -8.716 12.184 -13.249 1.00 1.00 O ATOM 625 CB GLU A 41 -7.519 9.370 -14.243 1.00 1.00 C ATOM 626 CG GLU A 41 -6.214 8.592 -14.430 1.00 1.00 C ATOM 627 CD GLU A 41 -6.511 7.103 -14.576 1.00 1.00 C ATOM 628 OE1 GLU A 41 -7.452 6.772 -15.278 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.791 6.315 -13.984 1.00 1.00 O ATOM 0 H GLU A 41 -7.156 8.285 -12.055 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.576 10.806 -12.949 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.365 8.683 -14.223 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.676 10.045 -15.084 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.688 8.955 -15.313 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.556 8.758 -13.577 1.00 1.00 H new ATOM 636 N ASP A 42 -9.746 10.480 -12.196 1.00 1.00 N ATOM 637 CA ASP A 42 -10.993 11.216 -12.014 1.00 1.00 C ATOM 638 C ASP A 42 -10.991 11.948 -10.675 1.00 1.00 C ATOM 639 O ASP A 42 -11.739 12.907 -10.480 1.00 1.00 O ATOM 640 CB ASP A 42 -12.178 10.251 -12.067 1.00 1.00 C ATOM 641 CG ASP A 42 -13.341 10.894 -12.815 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.547 12.083 -12.639 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.006 10.188 -13.555 1.00 1.00 O ATOM 0 H ASP A 42 -9.753 9.531 -11.821 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.083 11.948 -12.816 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.883 9.326 -12.563 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.487 9.986 -11.056 1.00 1.00 H new ATOM 648 N SER A 43 -10.144 11.490 -9.758 1.00 1.00 N ATOM 649 CA SER A 43 -10.045 12.106 -8.437 1.00 1.00 C ATOM 650 C SER A 43 -11.166 11.617 -7.524 1.00 1.00 C ATOM 651 O SER A 43 -11.389 12.173 -6.449 1.00 1.00 O ATOM 652 CB SER A 43 -10.115 13.629 -8.562 1.00 1.00 C ATOM 653 OG SER A 43 -11.465 14.049 -8.422 1.00 1.00 O ATOM 0 H SER A 43 -9.518 10.698 -9.903 1.00 1.00 H new ATOM 0 HA SER A 43 -9.088 11.820 -8.000 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.495 14.097 -7.797 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.722 13.945 -9.528 1.00 1.00 H new ATOM 0 HG SER A 43 -12.031 13.543 -9.042 1.00 1.00 H new ATOM 659 N GLN A 44 -11.864 10.569 -7.953 1.00 1.00 N ATOM 660 CA GLN A 44 -12.953 10.015 -7.156 1.00 1.00 C ATOM 661 C GLN A 44 -12.413 8.986 -6.171 1.00 1.00 C ATOM 662 O GLN A 44 -13.133 8.086 -5.738 1.00 1.00 O ATOM 663 CB GLN A 44 -13.988 9.348 -8.064 1.00 1.00 C ATOM 664 CG GLN A 44 -14.547 10.374 -9.050 1.00 1.00 C ATOM 665 CD GLN A 44 -15.621 11.216 -8.372 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.332 11.972 -9.034 1.00 1.00 O ATOM 667 NE2 GLN A 44 -15.777 11.135 -7.079 1.00 1.00 N ATOM 0 H GLN A 44 -11.697 10.091 -8.838 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.426 10.829 -6.607 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.531 8.520 -8.606 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.796 8.929 -7.464 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.745 11.016 -9.413 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.966 9.866 -9.918 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -15.187 10.508 -6.532 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -16.489 11.699 -6.615 1.00 1.00 H new ATOM 676 N PHE A 45 -11.138 9.121 -5.829 1.00 1.00 N ATOM 677 CA PHE A 45 -10.502 8.196 -4.900 1.00 1.00 C ATOM 678 C PHE A 45 -11.147 8.256 -3.530 1.00 1.00 C ATOM 679 O PHE A 45 -11.360 7.221 -2.900 1.00 1.00 O ATOM 680 CB PHE A 45 -9.014 8.509 -4.780 1.00 1.00 C ATOM 681 CG PHE A 45 -8.221 7.323 -5.270 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.286 6.954 -6.618 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.420 6.597 -4.381 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.549 5.856 -7.079 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.683 5.499 -4.841 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.747 5.129 -6.191 1.00 1.00 C ATOM 0 H PHE A 45 -10.526 9.858 -6.179 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.632 7.189 -5.295 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.767 9.395 -5.366 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.758 8.731 -3.744 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.904 7.516 -7.303 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.370 6.884 -3.341 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.599 5.570 -8.119 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.065 4.937 -4.156 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.178 4.283 -6.547 1.00 1.00 H new ATOM 696 N PRO A 46 -11.463 9.421 -3.048 1.00 1.00 N ATOM 697 CA PRO A 46 -12.097 9.547 -1.716 1.00 1.00 C ATOM 698 C PRO A 46 -13.453 8.853 -1.699 1.00 1.00 C ATOM 699 O PRO A 46 -14.384 9.267 -2.388 1.00 1.00 O ATOM 700 CB PRO A 46 -12.249 11.061 -1.507 1.00 1.00 C ATOM 701 CG PRO A 46 -11.392 11.714 -2.546 1.00 1.00 C ATOM 702 CD PRO A 46 -11.252 10.719 -3.695 1.00 1.00 C ATOM 0 HA PRO A 46 -11.508 9.080 -0.926 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.290 11.366 -1.613 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.933 11.349 -0.504 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.845 12.643 -2.893 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.415 11.970 -2.136 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.988 10.902 -4.477 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.269 10.780 -4.162 1.00 1.00 H new ATOM 710 N ILE A 47 -13.548 7.802 -0.897 1.00 1.00 N ATOM 711 CA ILE A 47 -14.786 7.037 -0.769 1.00 1.00 C ATOM 712 C ILE A 47 -14.709 6.142 0.465 1.00 1.00 C ATOM 713 O ILE A 47 -13.699 6.124 1.168 1.00 1.00 O ATOM 714 CB ILE A 47 -15.012 6.153 -2.012 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.694 5.482 -2.404 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.518 6.986 -3.200 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.938 4.003 -2.714 1.00 1.00 C ATOM 0 H ILE A 47 -12.780 7.456 -0.322 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.615 7.739 -0.675 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.764 5.403 -1.765 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.267 5.980 -3.274 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.971 5.579 -1.594 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.668 6.336 -4.062 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.462 7.462 -2.935 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.783 7.752 -3.447 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -12.997 3.530 -2.993 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.346 3.509 -1.832 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.646 3.916 -3.538 1.00 1.00 H new ATOM 729 N ASN A 48 -15.777 5.397 0.719 1.00 1.00 N ATOM 730 CA ASN A 48 -15.810 4.500 1.868 1.00 1.00 C ATOM 731 C ASN A 48 -14.752 3.410 1.715 1.00 1.00 C ATOM 732 O ASN A 48 -14.978 2.404 1.044 1.00 1.00 O ATOM 733 CB ASN A 48 -17.197 3.866 1.995 1.00 1.00 C ATOM 734 CG ASN A 48 -17.406 3.354 3.416 1.00 1.00 C ATOM 735 OD1 ASN A 48 -18.518 2.984 3.789 1.00 1.00 O ATOM 736 ND2 ASN A 48 -16.388 3.300 4.232 1.00 1.00 N ATOM 0 H ASN A 48 -16.625 5.395 0.151 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.596 5.074 2.769 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.965 4.598 1.746 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.297 3.045 1.285 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -16.514 2.950 5.182 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -15.467 3.608 3.920 1.00 1.00 H new ATOM 743 N ILE A 49 -13.594 3.625 2.333 1.00 1.00 N ATOM 744 CA ILE A 49 -12.497 2.664 2.250 1.00 1.00 C ATOM 745 C ILE A 49 -12.910 1.302 2.803 1.00 1.00 C ATOM 746 O ILE A 49 -12.989 0.327 2.067 1.00 1.00 O ATOM 747 CB ILE A 49 -11.285 3.186 3.026 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.827 4.515 2.419 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.148 2.166 2.940 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.755 5.145 3.311 1.00 1.00 C ATOM 0 H ILE A 49 -13.391 4.452 2.894 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.236 2.543 1.199 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.558 3.338 4.070 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.430 4.351 1.417 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.675 5.192 2.319 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.284 2.536 3.492 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.475 1.219 3.370 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.873 2.014 1.896 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.430 6.091 2.877 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.167 5.324 4.304 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.903 4.470 3.388 1.00 1.00 H new ATOM 762 N VAL A 50 -13.150 1.242 4.106 1.00 1.00 N ATOM 763 CA VAL A 50 -13.533 -0.015 4.750 1.00 1.00 C ATOM 764 C VAL A 50 -14.473 -0.834 3.862 1.00 1.00 C ATOM 765 O VAL A 50 -14.346 -2.057 3.775 1.00 1.00 O ATOM 766 CB VAL A 50 -14.215 0.267 6.090 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.220 1.407 5.929 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.945 -0.992 6.563 1.00 1.00 C ATOM 0 H VAL A 50 -13.088 2.041 4.737 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.624 -0.594 4.914 1.00 1.00 H new ATOM 0 HB VAL A 50 -13.462 0.552 6.825 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.703 1.604 6.886 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.701 2.305 5.593 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.974 1.126 5.193 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.432 -0.793 7.518 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.695 -1.276 5.825 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.228 -1.805 6.683 1.00 1.00 H new ATOM 778 N ALA A 51 -15.425 -0.159 3.228 1.00 1.00 N ATOM 779 CA ALA A 51 -16.401 -0.836 2.374 1.00 1.00 C ATOM 780 C ALA A 51 -15.741 -1.576 1.207 1.00 1.00 C ATOM 781 O ALA A 51 -16.293 -2.552 0.699 1.00 1.00 O ATOM 782 CB ALA A 51 -17.396 0.184 1.827 1.00 1.00 C ATOM 0 H ALA A 51 -15.544 0.852 3.287 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.912 -1.578 2.988 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.123 -0.321 1.191 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.913 0.668 2.655 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.863 0.935 1.244 1.00 1.00 H new ATOM 788 N VAL A 52 -14.566 -1.123 0.783 1.00 1.00 N ATOM 789 CA VAL A 52 -13.874 -1.780 -0.324 1.00 1.00 C ATOM 790 C VAL A 52 -12.946 -2.865 0.208 1.00 1.00 C ATOM 791 O VAL A 52 -12.843 -3.950 -0.367 1.00 1.00 O ATOM 792 CB VAL A 52 -13.095 -0.754 -1.164 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.781 0.607 -1.063 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.646 -0.625 -0.674 1.00 1.00 C ATOM 0 H VAL A 52 -14.079 -0.319 1.179 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.616 -2.247 -0.971 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.082 -1.096 -2.199 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.231 1.337 -1.657 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.802 0.529 -1.438 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.801 0.928 -0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.119 0.107 -1.286 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.641 -0.299 0.366 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.148 -1.591 -0.754 1.00 1.00 H new ATOM 804 N LYS A 53 -12.278 -2.566 1.314 1.00 1.00 N ATOM 805 CA LYS A 53 -11.363 -3.515 1.930 1.00 1.00 C ATOM 806 C LYS A 53 -12.076 -4.830 2.210 1.00 1.00 C ATOM 807 O LYS A 53 -11.441 -5.867 2.405 1.00 1.00 O ATOM 808 CB LYS A 53 -10.841 -2.932 3.236 1.00 1.00 C ATOM 809 CG LYS A 53 -10.296 -1.522 2.979 1.00 1.00 C ATOM 810 CD LYS A 53 -9.049 -1.272 3.834 1.00 1.00 C ATOM 811 CE LYS A 53 -9.421 -1.303 5.320 1.00 1.00 C ATOM 812 NZ LYS A 53 -10.365 -0.191 5.618 1.00 1.00 N ATOM 0 H LYS A 53 -12.353 -1.674 1.802 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.533 -3.703 1.249 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.640 -2.896 3.977 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.056 -3.569 3.644 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.051 -1.406 1.923 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.060 -0.781 3.212 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.295 -2.030 3.623 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -8.611 -0.307 3.580 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.878 -2.260 5.572 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -8.524 -1.207 5.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -11.057 -0.504 6.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.835 0.625 5.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -10.863 0.084 4.748 1.00 1.00 H new ATOM 826 N ASN A 54 -13.400 -4.771 2.229 1.00 1.00 N ATOM 827 CA ASN A 54 -14.207 -5.955 2.485 1.00 1.00 C ATOM 828 C ASN A 54 -14.610 -6.614 1.171 1.00 1.00 C ATOM 829 O ASN A 54 -14.481 -7.826 1.003 1.00 1.00 O ATOM 830 CB ASN A 54 -15.463 -5.566 3.266 1.00 1.00 C ATOM 831 CG ASN A 54 -15.223 -5.731 4.762 1.00 1.00 C ATOM 832 OD1 ASN A 54 -15.646 -6.725 5.353 1.00 1.00 O ATOM 833 ND2 ASN A 54 -14.573 -4.807 5.417 1.00 1.00 N ATOM 0 H ASN A 54 -13.937 -3.918 2.071 1.00 1.00 H new ATOM 0 HA ASN A 54 -13.617 -6.660 3.070 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.733 -4.533 3.045 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.302 -6.188 2.954 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -14.415 -4.908 6.420 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -14.223 -3.984 4.926 1.00 1.00 H new ATOM 840 N ASP A 55 -15.114 -5.801 0.251 1.00 1.00 N ATOM 841 CA ASP A 55 -15.554 -6.307 -1.047 1.00 1.00 C ATOM 842 C ASP A 55 -14.422 -6.266 -2.070 1.00 1.00 C ATOM 843 O ASP A 55 -14.031 -7.297 -2.618 1.00 1.00 O ATOM 844 CB ASP A 55 -16.733 -5.476 -1.556 1.00 1.00 C ATOM 845 CG ASP A 55 -16.493 -5.064 -3.006 1.00 1.00 C ATOM 846 OD1 ASP A 55 -16.633 -5.913 -3.872 1.00 1.00 O ATOM 847 OD2 ASP A 55 -16.164 -3.912 -3.227 1.00 1.00 O ATOM 0 H ASP A 55 -15.229 -4.795 0.376 1.00 1.00 H new ATOM 0 HA ASP A 55 -15.862 -7.345 -0.917 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -17.655 -6.053 -1.481 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -16.860 -4.590 -0.934 1.00 1.00 H new ATOM 852 N HIS A 56 -13.909 -5.070 -2.333 1.00 1.00 N ATOM 853 CA HIS A 56 -12.831 -4.903 -3.303 1.00 1.00 C ATOM 854 C HIS A 56 -11.516 -5.464 -2.768 1.00 1.00 C ATOM 855 O HIS A 56 -10.443 -4.938 -3.064 1.00 1.00 O ATOM 856 CB HIS A 56 -12.660 -3.421 -3.636 1.00 1.00 C ATOM 857 CG HIS A 56 -12.176 -3.275 -5.052 1.00 1.00 C ATOM 858 ND1 HIS A 56 -10.834 -3.131 -5.362 1.00 1.00 N ATOM 859 CD2 HIS A 56 -12.845 -3.238 -6.250 1.00 1.00 C ATOM 860 CE1 HIS A 56 -10.737 -3.015 -6.701 1.00 1.00 C ATOM 861 NE2 HIS A 56 -11.935 -3.075 -7.289 1.00 1.00 N ATOM 0 H HIS A 56 -14.219 -4.205 -1.891 1.00 1.00 H new ATOM 0 HA HIS A 56 -13.097 -5.455 -4.205 1.00 1.00 H new ATOM 0 HB2 HIS A 56 -13.608 -2.898 -3.509 1.00 1.00 H new ATOM 0 HB3 HIS A 56 -11.949 -2.963 -2.949 1.00 1.00 H new ATOM 0 HD1 HIS A 56 -10.060 -3.116 -4.698 1.00 1.00 H new ATOM 0 HD2 HIS A 56 -13.915 -3.323 -6.368 1.00 1.00 H new ATOM 0 HE1 HIS A 56 -9.806 -2.889 -7.233 1.00 1.00 H new ATOM 869 N ASP A 57 -11.604 -6.531 -1.980 1.00 1.00 N ATOM 870 CA ASP A 57 -10.409 -7.145 -1.414 1.00 1.00 C ATOM 871 C ASP A 57 -10.525 -8.666 -1.432 1.00 1.00 C ATOM 872 O ASP A 57 -9.803 -9.358 -0.715 1.00 1.00 O ATOM 873 CB ASP A 57 -10.212 -6.667 0.025 1.00 1.00 C ATOM 874 CG ASP A 57 -8.728 -6.465 0.309 1.00 1.00 C ATOM 875 OD1 ASP A 57 -7.996 -7.440 0.258 1.00 1.00 O ATOM 876 OD2 ASP A 57 -8.344 -5.339 0.580 1.00 1.00 O ATOM 0 H ASP A 57 -12.480 -6.984 -1.721 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.551 -6.851 -2.019 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -10.751 -5.733 0.184 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.627 -7.397 0.720 1.00 1.00 H new ATOM 881 N PHE A 58 -11.436 -9.176 -2.254 1.00 1.00 N ATOM 882 CA PHE A 58 -11.642 -10.619 -2.355 1.00 1.00 C ATOM 883 C PHE A 58 -10.308 -11.358 -2.315 1.00 1.00 C ATOM 884 O PHE A 58 -10.251 -12.534 -1.957 1.00 1.00 O ATOM 885 CB PHE A 58 -12.373 -10.954 -3.655 1.00 1.00 C ATOM 886 CG PHE A 58 -12.305 -9.775 -4.597 1.00 1.00 C ATOM 887 CD1 PHE A 58 -11.118 -9.496 -5.285 1.00 1.00 C ATOM 888 CD2 PHE A 58 -13.431 -8.964 -4.786 1.00 1.00 C ATOM 889 CE1 PHE A 58 -11.057 -8.407 -6.162 1.00 1.00 C ATOM 890 CE2 PHE A 58 -13.369 -7.874 -5.663 1.00 1.00 C ATOM 891 CZ PHE A 58 -12.182 -7.596 -6.351 1.00 1.00 C ATOM 0 H PHE A 58 -12.040 -8.617 -2.857 1.00 1.00 H new ATOM 0 HA PHE A 58 -12.246 -10.938 -1.506 1.00 1.00 H new ATOM 0 HB2 PHE A 58 -11.923 -11.830 -4.121 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -13.413 -11.204 -3.445 1.00 1.00 H new ATOM 0 HD1 PHE A 58 -10.249 -10.121 -5.139 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -14.347 -9.179 -4.256 1.00 1.00 H new ATOM 0 HE1 PHE A 58 -10.141 -8.192 -6.693 1.00 1.00 H new ATOM 0 HE2 PHE A 58 -14.237 -7.248 -5.809 1.00 1.00 H new ATOM 0 HZ PHE A 58 -12.134 -6.756 -7.028 1.00 1.00 H new ATOM 901 N LEU A 59 -9.237 -10.660 -2.682 1.00 1.00 N ATOM 902 CA LEU A 59 -7.910 -11.266 -2.679 1.00 1.00 C ATOM 903 C LEU A 59 -7.472 -11.577 -1.252 1.00 1.00 C ATOM 904 O LEU A 59 -8.224 -11.363 -0.302 1.00 1.00 O ATOM 905 CB LEU A 59 -6.903 -10.314 -3.327 1.00 1.00 C ATOM 906 CG LEU A 59 -6.149 -11.044 -4.440 1.00 1.00 C ATOM 907 CD1 LEU A 59 -7.106 -11.340 -5.596 1.00 1.00 C ATOM 908 CD2 LEU A 59 -5.002 -10.162 -4.940 1.00 1.00 C ATOM 0 H LEU A 59 -9.261 -9.685 -2.982 1.00 1.00 H new ATOM 0 HA LEU A 59 -7.950 -12.195 -3.248 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -7.419 -9.444 -3.734 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -6.201 -9.947 -2.579 1.00 1.00 H new ATOM 0 HG LEU A 59 -5.747 -11.980 -4.054 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -6.569 -11.860 -6.389 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -7.924 -11.967 -5.240 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -7.509 -10.404 -5.984 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.463 -10.681 -5.733 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -5.405 -9.226 -5.327 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -4.320 -9.951 -4.116 1.00 1.00 H new ATOM 920 N GLU A 60 -6.251 -12.081 -1.106 1.00 1.00 N ATOM 921 CA GLU A 60 -5.727 -12.414 0.213 1.00 1.00 C ATOM 922 C GLU A 60 -6.015 -11.284 1.197 1.00 1.00 C ATOM 923 O GLU A 60 -6.142 -10.124 0.804 1.00 1.00 O ATOM 924 CB GLU A 60 -4.218 -12.655 0.133 1.00 1.00 C ATOM 925 CG GLU A 60 -3.514 -11.357 -0.266 1.00 1.00 C ATOM 926 CD GLU A 60 -2.059 -11.640 -0.624 1.00 1.00 C ATOM 927 OE1 GLU A 60 -1.521 -12.611 -0.115 1.00 1.00 O ATOM 928 OE2 GLU A 60 -1.502 -10.879 -1.397 1.00 1.00 O ATOM 0 H GLU A 60 -5.611 -12.267 -1.878 1.00 1.00 H new ATOM 0 HA GLU A 60 -6.217 -13.323 0.562 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.843 -13.003 1.095 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -4.002 -13.437 -0.595 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -4.024 -10.904 -1.116 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -3.562 -10.641 0.554 1.00 1.00 H new ATOM 935 N LYS A 61 -6.116 -11.628 2.476 1.00 1.00 N ATOM 936 CA LYS A 61 -6.392 -10.630 3.504 1.00 1.00 C ATOM 937 C LYS A 61 -5.199 -9.697 3.678 1.00 1.00 C ATOM 938 O LYS A 61 -5.364 -8.507 3.949 1.00 1.00 O ATOM 939 CB LYS A 61 -6.702 -11.319 4.834 1.00 1.00 C ATOM 940 CG LYS A 61 -6.649 -10.289 5.966 1.00 1.00 C ATOM 941 CD LYS A 61 -7.607 -10.701 7.084 1.00 1.00 C ATOM 942 CE LYS A 61 -8.997 -10.128 6.807 1.00 1.00 C ATOM 943 NZ LYS A 61 -8.922 -8.638 6.778 1.00 1.00 N ATOM 0 H LYS A 61 -6.012 -12.581 2.824 1.00 1.00 H new ATOM 0 HA LYS A 61 -7.256 -10.043 3.191 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -7.688 -11.782 4.795 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.982 -12.116 5.019 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -5.633 -10.213 6.354 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -6.920 -9.304 5.587 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -7.658 -11.788 7.151 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -7.238 -10.339 8.044 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -9.374 -10.503 5.855 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -9.697 -10.453 7.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -9.853 -8.239 7.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -8.220 -8.312 7.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -8.641 -8.323 5.828 1.00 1.00 H new ATOM 957 N ASP A 62 -3.997 -10.240 3.521 1.00 1.00 N ATOM 958 CA ASP A 62 -2.786 -9.441 3.664 1.00 1.00 C ATOM 959 C ASP A 62 -2.821 -8.248 2.714 1.00 1.00 C ATOM 960 O ASP A 62 -1.937 -7.392 2.746 1.00 1.00 O ATOM 961 CB ASP A 62 -1.553 -10.296 3.364 1.00 1.00 C ATOM 962 CG ASP A 62 -0.303 -9.423 3.357 1.00 1.00 C ATOM 963 OD1 ASP A 62 0.194 -9.130 4.432 1.00 1.00 O ATOM 964 OD2 ASP A 62 0.135 -9.060 2.280 1.00 1.00 O ATOM 0 H ASP A 62 -3.836 -11.222 3.297 1.00 1.00 H new ATOM 0 HA ASP A 62 -2.733 -9.078 4.690 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -1.454 -11.082 4.113 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.668 -10.789 2.399 1.00 1.00 H new ATOM 969 N LEU A 63 -3.847 -8.199 1.870 1.00 1.00 N ATOM 970 CA LEU A 63 -3.981 -7.105 0.915 1.00 1.00 C ATOM 971 C LEU A 63 -4.974 -6.063 1.421 1.00 1.00 C ATOM 972 O LEU A 63 -5.316 -5.127 0.704 1.00 1.00 O ATOM 973 CB LEU A 63 -4.452 -7.644 -0.441 1.00 1.00 C ATOM 974 CG LEU A 63 -3.552 -7.107 -1.564 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.124 -7.632 -1.391 1.00 1.00 C ATOM 976 CD2 LEU A 63 -4.090 -7.563 -2.925 1.00 1.00 C ATOM 0 H LEU A 63 -4.590 -8.896 1.828 1.00 1.00 H new ATOM 0 HA LEU A 63 -3.005 -6.633 0.800 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.429 -8.734 -0.436 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -5.486 -7.348 -0.620 1.00 1.00 H new ATOM 0 HG LEU A 63 -3.547 -6.018 -1.516 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.495 -7.245 -2.192 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.730 -7.304 -0.429 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -2.130 -8.721 -1.428 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -3.448 -7.179 -3.717 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -4.103 -8.652 -2.965 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -5.102 -7.182 -3.062 1.00 1.00 H new ATOM 988 N VAL A 64 -5.427 -6.226 2.658 1.00 1.00 N ATOM 989 CA VAL A 64 -6.375 -5.281 3.240 1.00 1.00 C ATOM 990 C VAL A 64 -5.630 -4.151 3.945 1.00 1.00 C ATOM 991 O VAL A 64 -5.969 -2.977 3.788 1.00 1.00 O ATOM 992 CB VAL A 64 -7.290 -6.001 4.236 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.834 -5.001 5.259 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.458 -6.638 3.481 1.00 1.00 C ATOM 0 H VAL A 64 -5.158 -6.994 3.273 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.982 -4.858 2.439 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.721 -6.772 4.755 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.484 -5.519 5.964 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.004 -4.544 5.798 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.402 -4.226 4.744 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.111 -7.151 4.187 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -9.022 -5.863 2.962 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -8.074 -7.355 2.755 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.620 -4.517 4.723 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.829 -3.534 5.453 1.00 1.00 C ATOM 1006 C GLU A 65 -3.187 -2.518 4.506 1.00 1.00 C ATOM 1007 O GLU A 65 -3.503 -1.330 4.564 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.744 -4.235 6.273 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.196 -4.337 7.731 1.00 1.00 C ATOM 1010 CD GLU A 65 -2.255 -5.254 8.506 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -1.073 -5.247 8.207 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -2.732 -5.951 9.387 1.00 1.00 O ATOM 0 H GLU A 65 -4.329 -5.484 4.865 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.501 -2.997 6.122 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.553 -5.229 5.869 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.808 -3.680 6.209 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.209 -3.347 8.186 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.214 -4.723 7.779 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.295 -2.947 3.643 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.610 -2.031 2.685 1.00 1.00 C ATOM 1021 C PRO A 66 -2.597 -1.217 1.851 1.00 1.00 C ATOM 1022 O PRO A 66 -2.384 -0.028 1.612 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.772 -2.960 1.794 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.250 -4.346 2.073 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.838 -4.335 3.477 1.00 1.00 C ATOM 0 HA PRO A 66 -1.005 -1.290 3.208 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.899 -2.709 0.741 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.290 -2.862 2.019 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.999 -4.651 1.343 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.429 -5.059 2.004 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.661 -5.043 3.574 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.094 -4.606 4.226 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.674 -1.857 1.409 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.675 -1.168 0.602 1.00 1.00 C ATOM 1035 C LEU A 67 -5.216 0.047 1.352 1.00 1.00 C ATOM 1036 O LEU A 67 -5.348 1.129 0.785 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.826 -2.123 0.255 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.826 -1.437 -0.682 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.153 -1.104 -2.016 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.006 -2.377 -0.935 1.00 1.00 C ATOM 0 H LEU A 67 -3.875 -2.840 1.593 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.204 -0.831 -0.321 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.431 -3.021 -0.219 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.331 -2.440 1.167 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.176 -0.515 -0.218 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.872 -0.617 -2.675 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.310 -0.435 -1.841 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -5.797 -2.022 -2.483 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.720 -1.893 -1.601 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.646 -3.297 -1.395 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.494 -2.611 0.011 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.523 -0.141 2.631 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.045 0.952 3.443 1.00 1.00 C ATOM 1054 C CYS A 68 -5.005 2.060 3.575 1.00 1.00 C ATOM 1055 O CYS A 68 -5.319 3.173 3.999 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.423 0.437 4.833 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.117 0.864 6.011 1.00 1.00 S ATOM 0 H CYS A 68 -5.421 -1.029 3.123 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.932 1.354 2.953 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.370 0.874 5.149 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.564 -0.643 4.806 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.075 0.117 5.794 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.768 1.746 3.207 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.687 2.720 3.286 1.00 1.00 C ATOM 1065 C ARG A 69 -2.617 3.549 2.008 1.00 1.00 C ATOM 1066 O ARG A 69 -2.460 4.768 2.057 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.355 2.002 3.504 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.422 2.892 4.328 1.00 1.00 C ATOM 1069 CD ARG A 69 1.006 2.351 4.241 1.00 1.00 C ATOM 1070 NE ARG A 69 1.620 2.744 2.979 1.00 1.00 N ATOM 1071 CZ ARG A 69 2.785 2.234 2.593 1.00 1.00 C ATOM 1072 NH1 ARG A 69 3.398 1.364 3.349 1.00 1.00 N ATOM 1073 NH2 ARG A 69 3.316 2.601 1.459 1.00 1.00 N ATOM 0 H ARG A 69 -3.490 0.831 2.853 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.883 3.386 4.126 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.520 1.056 4.019 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.896 1.766 2.544 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.458 3.916 3.957 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.750 2.918 5.367 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.597 2.730 5.074 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.996 1.264 4.326 1.00 1.00 H new ATOM 0 HE ARG A 69 1.147 3.422 2.382 1.00 1.00 H new ATOM 0 HH11 ARG A 69 2.983 1.076 4.235 1.00 1.00 H new ATOM 0 HH12 ARG A 69 4.292 0.972 3.054 1.00 1.00 H new ATOM 0 HH21 ARG A 69 2.837 3.280 0.868 1.00 1.00 H new ATOM 0 HH22 ARG A 69 4.210 2.209 1.164 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.731 2.877 0.867 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.676 3.563 -0.420 1.00 1.00 C ATOM 1089 C ARG A 70 -3.908 4.440 -0.625 1.00 1.00 C ATOM 1090 O ARG A 70 -3.792 5.655 -0.784 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.582 2.541 -1.559 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.498 1.497 -1.258 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.234 2.169 -0.713 1.00 1.00 C ATOM 1094 NE ARG A 70 0.886 1.235 -0.759 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.140 1.662 -0.876 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.391 2.941 -0.927 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.118 0.800 -0.938 1.00 1.00 N ATOM 0 H ARG A 70 -2.861 1.867 0.806 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.790 4.198 -0.425 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.544 2.046 -1.692 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.354 3.051 -2.495 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.873 0.775 -0.533 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.258 0.942 -2.165 1.00 1.00 H new ATOM 0 HD2 ARG A 70 -0.002 3.057 -1.301 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.401 2.500 0.312 1.00 1.00 H new ATOM 0 HE ARG A 70 0.703 0.233 -0.700 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.626 3.613 -0.877 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.353 3.269 -1.017 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.920 -0.200 -0.897 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.080 1.126 -1.028 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.086 3.825 -0.623 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.318 4.578 -0.816 1.00 1.00 C ATOM 1113 C LEU A 71 -6.340 5.798 0.097 1.00 1.00 C ATOM 1114 O LEU A 71 -6.654 6.906 -0.336 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.532 3.692 -0.526 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.443 2.406 -1.350 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.659 1.532 -1.060 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.413 2.748 -2.841 1.00 1.00 C ATOM 0 H LEU A 71 -5.213 2.821 -0.492 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.361 4.910 -1.853 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.573 3.452 0.536 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.450 4.227 -0.768 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.532 1.871 -1.082 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.597 0.615 -1.647 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.683 1.283 0.001 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.567 2.072 -1.327 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.350 1.829 -3.424 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.322 3.286 -3.109 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -6.546 3.373 -3.054 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.004 5.587 1.365 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.986 6.679 2.332 1.00 1.00 C ATOM 1132 C ASN A 72 -5.031 7.780 1.881 1.00 1.00 C ATOM 1133 O ASN A 72 -5.285 8.963 2.103 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.555 6.155 3.703 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.427 7.316 4.683 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.446 8.058 4.643 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.369 7.520 5.564 1.00 1.00 N ATOM 0 H ASN A 72 -5.742 4.677 1.745 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.992 7.094 2.402 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.284 5.434 4.073 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.603 5.631 3.619 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.293 8.296 6.221 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.181 6.903 5.595 1.00 1.00 H new ATOM 1144 N THR A 73 -3.931 7.384 1.249 1.00 1.00 N ATOM 1145 CA THR A 73 -2.944 8.350 0.773 1.00 1.00 C ATOM 1146 C THR A 73 -3.549 9.252 -0.296 1.00 1.00 C ATOM 1147 O THR A 73 -3.557 10.475 -0.157 1.00 1.00 O ATOM 1148 CB THR A 73 -1.728 7.620 0.200 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.316 6.605 1.106 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.586 8.615 -0.007 1.00 1.00 C ATOM 0 H THR A 73 -3.700 6.410 1.055 1.00 1.00 H new ATOM 0 HA THR A 73 -2.632 8.965 1.617 1.00 1.00 H new ATOM 0 HB THR A 73 -1.992 7.168 -0.756 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.889 5.817 0.998 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.280 8.095 -0.415 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.903 9.393 -0.702 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.320 9.068 0.948 1.00 1.00 H new ATOM 1158 N LEU A 74 -4.054 8.646 -1.364 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.658 9.414 -2.445 1.00 1.00 C ATOM 1160 C LEU A 74 -5.862 10.193 -1.931 1.00 1.00 C ATOM 1161 O LEU A 74 -5.978 11.395 -2.163 1.00 1.00 O ATOM 1162 CB LEU A 74 -5.097 8.481 -3.574 1.00 1.00 C ATOM 1163 CG LEU A 74 -4.119 8.589 -4.745 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.701 8.308 -4.252 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.496 7.568 -5.821 1.00 1.00 C ATOM 0 H LEU A 74 -4.058 7.636 -1.504 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.916 10.115 -2.827 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.136 7.453 -3.214 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -6.103 8.742 -3.903 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.166 9.594 -5.165 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.004 8.385 -5.086 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.431 9.035 -3.486 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.654 7.303 -3.832 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -3.799 7.645 -6.656 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.450 6.563 -5.401 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.508 7.768 -6.174 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.753 9.502 -1.227 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.941 10.146 -0.683 1.00 1.00 C ATOM 1179 C ASN A 75 -7.567 11.461 -0.005 1.00 1.00 C ATOM 1180 O ASN A 75 -8.389 12.372 0.105 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.618 9.222 0.332 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.178 7.992 -0.371 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.391 8.010 -1.583 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.428 6.917 0.323 1.00 1.00 N ATOM 0 H ASN A 75 -6.676 8.506 -1.022 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.631 10.351 -1.502 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.901 8.919 1.095 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.420 9.755 0.842 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.801 6.087 -0.138 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.250 6.906 1.327 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.320 11.549 0.447 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.838 12.750 1.113 1.00 1.00 C ATOM 1193 C LYS A 76 -5.176 13.688 0.111 1.00 1.00 C ATOM 1194 O LYS A 76 -5.133 14.902 0.314 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.829 12.367 2.195 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.561 11.718 3.366 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.545 11.117 4.337 1.00 1.00 C ATOM 1198 CE LYS A 76 -5.258 10.684 5.620 1.00 1.00 C ATOM 1199 NZ LYS A 76 -4.385 9.745 6.381 1.00 1.00 N ATOM 0 H LYS A 76 -5.628 10.804 0.364 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.687 13.262 1.566 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.088 11.679 1.789 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.290 13.252 2.534 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -6.175 12.458 3.879 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.234 10.942 3.002 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -4.049 10.262 3.878 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -3.770 11.848 4.568 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -5.492 11.556 6.231 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -6.205 10.202 5.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -4.901 9.385 7.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.114 8.949 5.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.530 10.245 6.697 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.653 13.114 -0.965 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.984 13.900 -1.993 1.00 1.00 C ATOM 1215 C CYS A 77 -4.941 14.223 -3.137 1.00 1.00 C ATOM 1216 O CYS A 77 -4.612 15.002 -4.032 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.783 13.121 -2.528 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.741 14.221 -3.519 1.00 1.00 S ATOM 0 H CYS A 77 -4.679 12.111 -1.148 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.647 14.838 -1.552 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -2.208 12.706 -1.700 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -3.122 12.281 -3.134 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.493 15.033 -4.201 1.00 1.00 H new ATOM 1224 N ALA A 78 -6.124 13.621 -3.101 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.122 13.851 -4.140 1.00 1.00 C ATOM 1226 C ALA A 78 -7.858 15.164 -3.892 1.00 1.00 C ATOM 1227 O ALA A 78 -8.665 15.598 -4.714 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.126 12.697 -4.163 1.00 1.00 C ATOM 0 H ALA A 78 -6.415 12.974 -2.369 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.613 13.908 -5.102 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.868 12.876 -4.941 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.602 11.763 -4.368 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.624 12.629 -3.196 1.00 1.00 H new ATOM 1234 N SER A 79 -7.575 15.790 -2.756 1.00 1.00 N ATOM 1235 CA SER A 79 -8.216 17.054 -2.409 1.00 1.00 C ATOM 1236 C SER A 79 -7.991 18.089 -3.507 1.00 1.00 C ATOM 1237 O SER A 79 -8.652 19.126 -3.540 1.00 1.00 O ATOM 1238 CB SER A 79 -7.655 17.578 -1.087 1.00 1.00 C ATOM 1239 OG SER A 79 -8.064 16.719 -0.031 1.00 1.00 O ATOM 0 H SER A 79 -6.910 15.446 -2.063 1.00 1.00 H new ATOM 0 HA SER A 79 -9.287 16.880 -2.305 1.00 1.00 H new ATOM 0 HB2 SER A 79 -6.567 17.624 -1.133 1.00 1.00 H new ATOM 0 HB3 SER A 79 -8.010 18.592 -0.904 1.00 1.00 H new ATOM 0 HG SER A 79 -7.705 17.051 0.818 1.00 1.00 H new ATOM 1245 N MET A 80 -7.052 17.801 -4.402 1.00 1.00 N ATOM 1246 CA MET A 80 -6.747 18.715 -5.496 1.00 1.00 C ATOM 1247 C MET A 80 -6.025 19.954 -4.974 1.00 1.00 C ATOM 1248 O MET A 80 -6.179 20.330 -3.813 1.00 1.00 O ATOM 1249 CB MET A 80 -8.040 19.135 -6.200 1.00 1.00 C ATOM 1250 CG MET A 80 -7.785 19.264 -7.703 1.00 1.00 C ATOM 1251 SD MET A 80 -9.288 19.852 -8.521 1.00 1.00 S ATOM 1252 CE MET A 80 -9.164 18.814 -9.998 1.00 1.00 C ATOM 0 H MET A 80 -6.493 16.948 -4.392 1.00 1.00 H new ATOM 0 HA MET A 80 -6.097 18.201 -6.204 1.00 1.00 H new ATOM 0 HB2 MET A 80 -8.823 18.399 -6.015 1.00 1.00 H new ATOM 0 HB3 MET A 80 -8.394 20.084 -5.798 1.00 1.00 H new ATOM 0 HG2 MET A 80 -6.964 19.957 -7.885 1.00 1.00 H new ATOM 0 HG3 MET A 80 -7.486 18.301 -8.116 1.00 1.00 H new ATOM 0 HE1 MET A 80 -10.008 19.017 -10.657 1.00 1.00 H new ATOM 0 HE2 MET A 80 -8.234 19.036 -10.521 1.00 1.00 H new ATOM 0 HE3 MET A 80 -9.175 17.764 -9.707 1.00 1.00 H new ATOM 1262 N LYS A 81 -5.236 20.581 -5.840 1.00 1.00 N ATOM 1263 CA LYS A 81 -4.493 21.775 -5.455 1.00 1.00 C ATOM 1264 C LYS A 81 -5.403 22.999 -5.471 1.00 1.00 C ATOM 1265 O LYS A 81 -6.608 22.818 -5.437 1.00 1.00 O ATOM 1266 CB LYS A 81 -3.321 21.994 -6.413 1.00 1.00 C ATOM 1267 CG LYS A 81 -3.840 22.054 -7.851 1.00 1.00 C ATOM 1268 CD LYS A 81 -3.372 23.354 -8.508 1.00 1.00 C ATOM 1269 CE LYS A 81 -1.843 23.389 -8.545 1.00 1.00 C ATOM 1270 NZ LYS A 81 -1.385 23.719 -9.924 1.00 1.00 N ATOM 1271 OXT LYS A 81 -4.880 24.100 -5.518 1.00 1.00 O ATOM 0 H LYS A 81 -5.095 20.285 -6.806 1.00 1.00 H new ATOM 0 HA LYS A 81 -4.112 21.633 -4.444 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -2.802 22.920 -6.164 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -2.598 21.185 -6.310 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -3.476 21.196 -8.417 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -4.929 22.002 -7.859 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -3.772 23.427 -9.519 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -3.752 24.211 -7.953 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -1.469 24.131 -7.839 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -1.439 22.424 -8.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.346 23.743 -9.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -1.730 22.996 -10.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -1.759 24.649 -10.201 1.00 1.00 H new TER 1285 LYS A 81