USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.475) USER MOD Set 1.2: A 78 TYR OH : rot 37:sc= 1.04 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0.468 USER MOD Set 2.2: A 24 ASN : amide:sc= 0.27 K(o=0.74,f=-4.5!) USER MOD Set 3.1: A 8 GLN : amide:sc= -0.107 X(o=0.084,f=-0.24) USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0.192 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 177:sc= -0.0207 (180deg=-0.0399) USER MOD Single : A 2 GLN : amide:sc= 0.421 K(o=0.42,f=-6.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0257) USER MOD Single : A 11 SER OG : rot 42:sc= 0.2 USER MOD Single : A 13 HIS : no HD1:sc= -0.0422 K(o=-0.042,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.0619 X(o=-0.062,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 0.992 (180deg=-0.00894) USER MOD Single : A 20 SER OG : rot 31:sc= 0.0823 USER MOD Single : A 21 ASN : amide:sc= 0.386 K(o=0.39,f=-0.48) USER MOD Single : A 26 TYR OH : rot 6:sc= 0.156 USER MOD Single : A 31 HIS : no HD1:sc= -0.808 X(o=-0.81,f=-0.87) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.21) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.192 K(o=0.19,f=-0.76) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -87:sc= 0.448 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= -0.0105 (180deg=-0.0676) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 172:sc= -0.986 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.837 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 1.01 K(o=1,f=-2.6!) USER MOD Single : A 84 HIS : no HD1:sc= -1.06! C(o=-1.1!,f=-9.8!) USER MOD Single : A 86 THR OG1 : rot -37:sc= 0 USER MOD Single : A 88 SER OG : rot -1:sc= 0.0415 USER MOD Single : A 89 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.4) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0.821 (180deg=0.531) USER MOD Single : A 99 MET CE :methyl -171:sc= -0.0264 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.328 -24.381 -4.310 1.00 0.00 N ATOM 2 CA MET A 0 -7.133 -23.021 -3.778 1.00 0.00 C ATOM 3 C MET A 0 -6.133 -23.032 -2.619 1.00 0.00 C ATOM 4 O MET A 0 -6.346 -23.745 -1.641 1.00 0.00 O ATOM 5 CB MET A 0 -8.476 -22.369 -3.400 1.00 0.00 C ATOM 6 CG MET A 0 -9.283 -23.124 -2.331 1.00 0.00 C ATOM 7 SD MET A 0 -10.912 -22.418 -1.949 1.00 0.00 S ATOM 8 CE MET A 0 -11.858 -22.940 -3.403 1.00 0.00 C ATOM 0 H1 MET A 0 -8.047 -24.360 -5.061 1.00 0.00 H new ATOM 0 H2 MET A 0 -6.430 -24.733 -4.700 1.00 0.00 H new ATOM 0 H3 MET A 0 -7.644 -25.011 -3.545 1.00 0.00 H new ATOM 0 HA MET A 0 -6.703 -22.400 -4.564 1.00 0.00 H new ATOM 0 HB2 MET A 0 -8.284 -21.357 -3.043 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.086 -22.279 -4.299 1.00 0.00 H new ATOM 0 HG2 MET A 0 -9.420 -24.154 -2.662 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.696 -23.159 -1.413 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.884 -22.582 -3.318 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.402 -22.525 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 0 -11.858 -24.028 -3.466 1.00 0.00 H new ATOM 20 N ILE A 1 -5.031 -22.279 -2.746 1.00 0.00 N ATOM 21 CA ILE A 1 -3.978 -22.195 -1.733 1.00 0.00 C ATOM 22 C ILE A 1 -3.356 -20.795 -1.643 1.00 0.00 C ATOM 23 O ILE A 1 -2.315 -20.618 -1.013 1.00 0.00 O ATOM 24 CB ILE A 1 -2.913 -23.300 -1.938 1.00 0.00 C ATOM 25 CG1 ILE A 1 -2.396 -23.430 -3.382 1.00 0.00 C ATOM 26 CG2 ILE A 1 -3.425 -24.678 -1.495 1.00 0.00 C ATOM 27 CD1 ILE A 1 -1.842 -22.126 -3.955 1.00 0.00 C ATOM 0 H ILE A 1 -4.847 -21.704 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.450 -22.373 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.082 -22.975 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.616 -24.190 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.208 -23.781 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.647 -25.424 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.685 -24.647 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.307 -24.943 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.497 -22.295 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.625 -21.368 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.008 -21.784 -3.341 1.00 0.00 H new ATOM 39 N GLN A 2 -3.991 -19.795 -2.260 1.00 0.00 N ATOM 40 CA GLN A 2 -3.480 -18.437 -2.331 1.00 0.00 C ATOM 41 C GLN A 2 -3.726 -17.723 -1.006 1.00 0.00 C ATOM 42 O GLN A 2 -4.837 -17.763 -0.479 1.00 0.00 O ATOM 43 CB GLN A 2 -4.161 -17.663 -3.466 1.00 0.00 C ATOM 44 CG GLN A 2 -3.771 -18.159 -4.867 1.00 0.00 C ATOM 45 CD GLN A 2 -4.463 -19.450 -5.311 1.00 0.00 C ATOM 46 OE1 GLN A 2 -5.386 -19.947 -4.667 1.00 0.00 O ATOM 47 NE2 GLN A 2 -4.007 -20.004 -6.436 1.00 0.00 N ATOM 0 H GLN A 2 -4.888 -19.915 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.409 -18.480 -2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.242 -17.740 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.906 -16.607 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.998 -17.375 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.693 -18.315 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.240 -19.566 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.426 -20.866 -6.786 1.00 0.00 H new ATOM 56 N ARG A 3 -2.691 -17.061 -0.480 1.00 0.00 N ATOM 57 CA ARG A 3 -2.803 -16.264 0.729 1.00 0.00 C ATOM 58 C ARG A 3 -3.231 -14.835 0.390 1.00 0.00 C ATOM 59 O ARG A 3 -2.889 -14.297 -0.663 1.00 0.00 O ATOM 60 CB ARG A 3 -1.494 -16.318 1.523 1.00 0.00 C ATOM 61 CG ARG A 3 -1.246 -17.653 2.238 1.00 0.00 C ATOM 62 CD ARG A 3 -2.032 -17.791 3.549 1.00 0.00 C ATOM 63 NE ARG A 3 -3.440 -18.144 3.324 1.00 0.00 N ATOM 64 CZ ARG A 3 -4.406 -18.086 4.254 1.00 0.00 C ATOM 65 NH1 ARG A 3 -4.110 -17.793 5.529 1.00 0.00 N ATOM 66 NH2 ARG A 3 -5.677 -18.322 3.903 1.00 0.00 N ATOM 0 H ARG A 3 -1.755 -17.067 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.581 -16.682 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.663 -16.122 0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.498 -15.518 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.518 -18.471 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.181 -17.753 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.564 -18.554 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.979 -16.853 4.101 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.704 -18.457 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.143 -17.612 5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.852 -17.751 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.906 -18.544 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.416 -18.280 4.605 1.00 0.00 H new ATOM 80 N THR A 4 -4.009 -14.250 1.305 1.00 0.00 N ATOM 81 CA THR A 4 -4.691 -12.972 1.159 1.00 0.00 C ATOM 82 C THR A 4 -3.749 -11.840 1.594 1.00 0.00 C ATOM 83 O THR A 4 -3.016 -12.016 2.568 1.00 0.00 O ATOM 84 CB THR A 4 -5.947 -13.020 2.049 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.739 -14.139 1.701 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.827 -11.771 1.944 1.00 0.00 C ATOM 0 H THR A 4 -4.186 -14.682 2.212 1.00 0.00 H new ATOM 0 HA THR A 4 -4.978 -12.787 0.124 1.00 0.00 H new ATOM 0 HB THR A 4 -5.581 -13.084 3.074 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.536 -14.166 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.691 -11.879 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.252 -10.895 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.165 -11.649 0.915 1.00 0.00 H new ATOM 94 N PRO A 5 -3.753 -10.680 0.912 1.00 0.00 N ATOM 95 CA PRO A 5 -2.953 -9.524 1.294 1.00 0.00 C ATOM 96 C PRO A 5 -3.422 -8.937 2.626 1.00 0.00 C ATOM 97 O PRO A 5 -4.449 -8.263 2.686 1.00 0.00 O ATOM 98 CB PRO A 5 -3.081 -8.527 0.136 1.00 0.00 C ATOM 99 CG PRO A 5 -4.416 -8.888 -0.506 1.00 0.00 C ATOM 100 CD PRO A 5 -4.485 -10.402 -0.314 1.00 0.00 C ATOM 0 HA PRO A 5 -1.909 -9.791 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.073 -7.497 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.257 -8.626 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.249 -8.380 -0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.446 -8.612 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.519 -10.740 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.041 -10.924 -1.161 1.00 0.00 H new ATOM 108 N LYS A 6 -2.640 -9.173 3.687 1.00 0.00 N ATOM 109 CA LYS A 6 -2.796 -8.505 4.964 1.00 0.00 C ATOM 110 C LYS A 6 -2.182 -7.113 4.829 1.00 0.00 C ATOM 111 O LYS A 6 -0.961 -6.974 4.803 1.00 0.00 O ATOM 112 CB LYS A 6 -2.115 -9.325 6.067 1.00 0.00 C ATOM 113 CG LYS A 6 -2.490 -8.753 7.438 1.00 0.00 C ATOM 114 CD LYS A 6 -1.546 -9.224 8.551 1.00 0.00 C ATOM 115 CE LYS A 6 -1.489 -10.748 8.709 1.00 0.00 C ATOM 116 NZ LYS A 6 -2.815 -11.324 8.992 1.00 0.00 N ATOM 0 H LYS A 6 -1.873 -9.845 3.671 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.846 -8.412 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.422 -10.369 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.033 -9.302 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.475 -7.664 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.511 -9.047 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.542 -8.851 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.863 -8.782 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.088 -11.192 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.803 -11.003 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.721 -12.346 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.217 -10.871 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.444 -11.162 8.180 1.00 0.00 H new ATOM 130 N ILE A 7 -3.041 -6.096 4.721 1.00 0.00 N ATOM 131 CA ILE A 7 -2.647 -4.705 4.575 1.00 0.00 C ATOM 132 C ILE A 7 -2.370 -4.106 5.955 1.00 0.00 C ATOM 133 O ILE A 7 -3.132 -4.344 6.892 1.00 0.00 O ATOM 134 CB ILE A 7 -3.738 -3.924 3.815 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.078 -3.806 4.571 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.983 -4.572 2.447 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.230 -2.449 5.268 1.00 0.00 C ATOM 0 H ILE A 7 -4.052 -6.227 4.734 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.730 -4.637 3.989 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.356 -2.909 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.902 -3.948 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.147 -4.603 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.755 -4.016 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.060 -4.558 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.309 -5.603 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.188 -2.412 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.422 -2.317 5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.188 -1.652 4.526 1.00 0.00 H new ATOM 149 N GLN A 8 -1.297 -3.318 6.087 1.00 0.00 N ATOM 150 CA GLN A 8 -1.063 -2.461 7.220 1.00 0.00 C ATOM 151 C GLN A 8 -0.629 -1.118 6.633 1.00 0.00 C ATOM 152 O GLN A 8 0.558 -0.856 6.451 1.00 0.00 O ATOM 153 CB GLN A 8 -0.046 -3.101 8.171 1.00 0.00 C ATOM 154 CG GLN A 8 1.085 -3.916 7.526 1.00 0.00 C ATOM 155 CD GLN A 8 0.717 -5.348 7.132 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.296 -5.893 7.566 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.570 -5.972 6.319 1.00 0.00 N ATOM 0 H GLN A 8 -0.559 -3.268 5.384 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.947 -2.310 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.404 -2.310 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.586 -3.753 8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.428 -3.389 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.925 -3.952 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.400 -5.486 5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.393 -6.936 6.036 1.00 0.00 H new ATOM 166 N VAL A 9 -1.624 -0.294 6.289 1.00 0.00 N ATOM 167 CA VAL A 9 -1.423 1.012 5.686 1.00 0.00 C ATOM 168 C VAL A 9 -1.246 2.032 6.806 1.00 0.00 C ATOM 169 O VAL A 9 -2.235 2.475 7.388 1.00 0.00 O ATOM 170 CB VAL A 9 -2.608 1.369 4.777 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.350 2.730 4.125 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.818 0.310 3.687 1.00 0.00 C ATOM 0 H VAL A 9 -2.607 -0.528 6.428 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.531 1.010 5.060 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.510 1.407 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.189 2.988 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.241 3.490 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.436 2.682 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.664 0.594 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.921 0.238 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.018 -0.656 4.152 1.00 0.00 H new ATOM 182 N TYR A 10 0.008 2.383 7.113 1.00 0.00 N ATOM 183 CA TYR A 10 0.327 3.249 8.243 1.00 0.00 C ATOM 184 C TYR A 10 0.980 4.551 7.787 1.00 0.00 C ATOM 185 O TYR A 10 1.688 4.594 6.780 1.00 0.00 O ATOM 186 CB TYR A 10 1.195 2.510 9.271 1.00 0.00 C ATOM 187 CG TYR A 10 2.530 2.006 8.764 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.656 2.850 8.768 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.662 0.668 8.357 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.892 2.370 8.303 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.891 0.195 7.872 1.00 0.00 C ATOM 192 CZ TYR A 10 5.002 1.053 7.825 1.00 0.00 C ATOM 193 OH TYR A 10 6.185 0.615 7.307 1.00 0.00 O ATOM 0 H TYR A 10 0.824 2.074 6.585 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.610 3.517 8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.376 3.178 10.113 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.629 1.661 9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.570 3.865 9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.815 0.001 8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.759 3.014 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.982 -0.827 7.535 1.00 0.00 H new ATOM 0 HH TYR A 10 6.092 -0.318 7.023 1.00 0.00 H new ATOM 203 N SER A 11 0.756 5.602 8.580 1.00 0.00 N ATOM 204 CA SER A 11 1.471 6.861 8.496 1.00 0.00 C ATOM 205 C SER A 11 2.823 6.676 9.188 1.00 0.00 C ATOM 206 O SER A 11 2.862 6.439 10.394 1.00 0.00 O ATOM 207 CB SER A 11 0.645 7.959 9.176 1.00 0.00 C ATOM 208 OG SER A 11 0.124 7.515 10.413 1.00 0.00 O ATOM 0 H SER A 11 0.050 5.592 9.317 1.00 0.00 H new ATOM 0 HA SER A 11 1.632 7.157 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.267 8.840 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.173 8.261 8.521 1.00 0.00 H new ATOM 0 HG SER A 11 0.811 7.007 10.894 1.00 0.00 H new ATOM 214 N ARG A 12 3.931 6.756 8.440 1.00 0.00 N ATOM 215 CA ARG A 12 5.262 6.612 9.019 1.00 0.00 C ATOM 216 C ARG A 12 5.566 7.872 9.831 1.00 0.00 C ATOM 217 O ARG A 12 5.674 7.804 11.055 1.00 0.00 O ATOM 218 CB ARG A 12 6.296 6.311 7.920 1.00 0.00 C ATOM 219 CG ARG A 12 7.551 5.548 8.386 1.00 0.00 C ATOM 220 CD ARG A 12 8.665 6.406 9.004 1.00 0.00 C ATOM 221 NE ARG A 12 8.292 6.937 10.318 1.00 0.00 N ATOM 222 CZ ARG A 12 8.994 7.827 11.037 1.00 0.00 C ATOM 223 NH1 ARG A 12 10.256 8.140 10.710 1.00 0.00 N ATOM 224 NH2 ARG A 12 8.414 8.405 12.096 1.00 0.00 N ATOM 0 H ARG A 12 3.926 6.920 7.433 1.00 0.00 H new ATOM 0 HA ARG A 12 5.311 5.761 9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.809 5.731 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.610 7.254 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.247 4.799 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.964 5.010 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.571 5.808 9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.899 7.233 8.333 1.00 0.00 H new ATOM 0 HE ARG A 12 7.419 6.599 10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.698 7.700 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.774 8.819 11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.454 8.167 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.932 9.084 12.654 1.00 0.00 H new ATOM 238 N HIS A 13 5.692 9.018 9.155 1.00 0.00 N ATOM 239 CA HIS A 13 5.840 10.314 9.806 1.00 0.00 C ATOM 240 C HIS A 13 4.464 10.770 10.318 1.00 0.00 C ATOM 241 O HIS A 13 3.444 10.298 9.816 1.00 0.00 O ATOM 242 CB HIS A 13 6.396 11.327 8.798 1.00 0.00 C ATOM 243 CG HIS A 13 7.841 11.156 8.404 1.00 0.00 C ATOM 244 ND1 HIS A 13 8.501 9.929 8.477 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.702 12.092 7.897 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.727 10.174 8.007 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.904 11.459 7.660 1.00 0.00 N ATOM 0 H HIS A 13 5.694 9.068 8.136 1.00 0.00 H new ATOM 0 HA HIS A 13 6.531 10.240 10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.788 11.279 7.895 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.271 12.327 9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.481 13.134 7.716 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.494 9.419 7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.757 11.882 7.294 1.00 0.00 H new ATOM 255 N PRO A 14 4.402 11.690 11.294 1.00 0.00 N ATOM 256 CA PRO A 14 3.143 12.213 11.806 1.00 0.00 C ATOM 257 C PRO A 14 2.602 13.279 10.843 1.00 0.00 C ATOM 258 O PRO A 14 3.290 14.259 10.571 1.00 0.00 O ATOM 259 CB PRO A 14 3.493 12.784 13.182 1.00 0.00 C ATOM 260 CG PRO A 14 4.945 13.240 13.027 1.00 0.00 C ATOM 261 CD PRO A 14 5.532 12.241 12.027 1.00 0.00 C ATOM 0 HA PRO A 14 2.358 11.462 11.891 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.839 13.614 13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.391 12.033 13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.006 14.263 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.477 13.214 13.978 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.232 12.732 11.351 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.084 11.454 12.541 1.00 0.00 H new ATOM 269 N ALA A 15 1.390 13.076 10.303 1.00 0.00 N ATOM 270 CA ALA A 15 0.834 13.933 9.257 1.00 0.00 C ATOM 271 C ALA A 15 0.680 15.383 9.712 1.00 0.00 C ATOM 272 O ALA A 15 0.279 15.655 10.842 1.00 0.00 O ATOM 273 CB ALA A 15 -0.503 13.395 8.744 1.00 0.00 C ATOM 0 H ALA A 15 0.773 12.313 10.582 1.00 0.00 H new ATOM 0 HA ALA A 15 1.553 13.919 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.888 14.056 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.359 12.396 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.216 13.348 9.567 1.00 0.00 H new ATOM 279 N GLU A 16 0.991 16.300 8.790 1.00 0.00 N ATOM 280 CA GLU A 16 0.906 17.742 8.956 1.00 0.00 C ATOM 281 C GLU A 16 0.488 18.339 7.613 1.00 0.00 C ATOM 282 O GLU A 16 1.118 18.057 6.594 1.00 0.00 O ATOM 283 CB GLU A 16 2.268 18.304 9.382 1.00 0.00 C ATOM 284 CG GLU A 16 2.612 18.003 10.842 1.00 0.00 C ATOM 285 CD GLU A 16 3.935 18.658 11.222 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.928 19.888 11.444 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.953 17.934 11.246 1.00 0.00 O ATOM 0 H GLU A 16 1.325 16.036 7.863 1.00 0.00 H new ATOM 0 HA GLU A 16 0.180 17.995 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.043 17.887 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.273 19.383 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.818 18.369 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.676 16.925 10.993 1.00 0.00 H new ATOM 294 N ASN A 17 -0.580 19.147 7.615 1.00 0.00 N ATOM 295 CA ASN A 17 -1.187 19.721 6.425 1.00 0.00 C ATOM 296 C ASN A 17 -0.166 20.441 5.541 1.00 0.00 C ATOM 297 O ASN A 17 0.567 21.307 6.014 1.00 0.00 O ATOM 298 CB ASN A 17 -2.340 20.646 6.840 1.00 0.00 C ATOM 299 CG ASN A 17 -1.876 21.863 7.640 1.00 0.00 C ATOM 300 OD1 ASN A 17 -1.647 21.762 8.843 1.00 0.00 O ATOM 301 ND2 ASN A 17 -1.746 23.016 6.980 1.00 0.00 N ATOM 0 H ASN A 17 -1.054 19.423 8.475 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.586 18.911 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.865 20.985 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.056 20.079 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.446 23.856 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.946 23.057 5.981 1.00 0.00 H new ATOM 308 N GLY A 18 -0.103 20.058 4.260 1.00 0.00 N ATOM 309 CA GLY A 18 0.757 20.695 3.274 1.00 0.00 C ATOM 310 C GLY A 18 2.249 20.397 3.459 1.00 0.00 C ATOM 311 O GLY A 18 3.052 20.854 2.646 1.00 0.00 O ATOM 0 H GLY A 18 -0.656 19.289 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.453 20.370 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.605 21.773 3.318 1.00 0.00 H new ATOM 315 N LYS A 19 2.631 19.650 4.505 1.00 0.00 N ATOM 316 CA LYS A 19 4.018 19.385 4.851 1.00 0.00 C ATOM 317 C LYS A 19 4.380 17.943 4.535 1.00 0.00 C ATOM 318 O LYS A 19 3.731 17.003 4.992 1.00 0.00 O ATOM 319 CB LYS A 19 4.231 19.648 6.321 1.00 0.00 C ATOM 320 CG LYS A 19 5.693 19.490 6.746 1.00 0.00 C ATOM 321 CD LYS A 19 5.769 19.928 8.205 1.00 0.00 C ATOM 322 CE LYS A 19 6.996 19.366 8.927 1.00 0.00 C ATOM 323 NZ LYS A 19 6.966 19.706 10.360 1.00 0.00 N ATOM 0 H LYS A 19 1.966 19.209 5.140 1.00 0.00 H new ATOM 0 HA LYS A 19 4.657 20.044 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.896 20.658 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.613 18.963 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.020 18.456 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.346 20.101 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.791 21.017 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.867 19.605 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.029 18.283 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.904 19.765 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.934 19.692 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.559 20.655 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.384 19.011 10.870 1.00 0.00 H new ATOM 337 N SER A 20 5.440 17.811 3.747 1.00 0.00 N ATOM 338 CA SER A 20 5.881 16.541 3.190 1.00 0.00 C ATOM 339 C SER A 20 6.184 15.530 4.289 1.00 0.00 C ATOM 340 O SER A 20 6.972 15.802 5.195 1.00 0.00 O ATOM 341 CB SER A 20 7.129 16.741 2.338 1.00 0.00 C ATOM 342 OG SER A 20 8.098 17.503 3.030 1.00 0.00 O ATOM 0 H SER A 20 6.027 18.599 3.473 1.00 0.00 H new ATOM 0 HA SER A 20 5.071 16.155 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.548 15.772 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.862 17.243 1.408 1.00 0.00 H new ATOM 0 HG SER A 20 8.025 17.330 3.992 1.00 0.00 H new ATOM 348 N ASN A 21 5.535 14.376 4.180 1.00 0.00 N ATOM 349 CA ASN A 21 5.455 13.366 5.222 1.00 0.00 C ATOM 350 C ASN A 21 5.891 12.016 4.632 1.00 0.00 C ATOM 351 O ASN A 21 6.646 12.020 3.663 1.00 0.00 O ATOM 352 CB ASN A 21 4.016 13.409 5.759 1.00 0.00 C ATOM 353 CG ASN A 21 3.941 13.099 7.247 1.00 0.00 C ATOM 354 OD1 ASN A 21 4.548 13.795 8.055 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.193 12.062 7.616 1.00 0.00 N ATOM 0 H ASN A 21 5.033 14.111 3.332 1.00 0.00 H new ATOM 0 HA ASN A 21 6.125 13.540 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.592 14.396 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.405 12.692 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.108 11.820 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.705 11.509 6.912 1.00 0.00 H new ATOM 362 N PHE A 22 5.442 10.872 5.175 1.00 0.00 N ATOM 363 CA PHE A 22 5.744 9.551 4.613 1.00 0.00 C ATOM 364 C PHE A 22 4.614 8.552 4.874 1.00 0.00 C ATOM 365 O PHE A 22 4.258 8.308 6.026 1.00 0.00 O ATOM 366 CB PHE A 22 7.075 9.000 5.144 1.00 0.00 C ATOM 367 CG PHE A 22 8.266 9.246 4.239 1.00 0.00 C ATOM 368 CD1 PHE A 22 8.562 8.328 3.214 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.081 10.378 4.418 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.688 8.521 2.396 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.203 10.576 3.596 1.00 0.00 C ATOM 372 CZ PHE A 22 10.513 9.642 2.592 1.00 0.00 C ATOM 0 H PHE A 22 4.862 10.840 6.013 1.00 0.00 H new ATOM 0 HA PHE A 22 5.836 9.684 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.276 9.448 6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.971 7.927 5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.922 7.473 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.844 11.096 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.919 7.809 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.828 11.446 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.385 9.786 1.971 1.00 0.00 H new ATOM 382 N LEU A 23 4.068 7.985 3.788 1.00 0.00 N ATOM 383 CA LEU A 23 2.959 7.038 3.778 1.00 0.00 C ATOM 384 C LEU A 23 3.467 5.690 3.285 1.00 0.00 C ATOM 385 O LEU A 23 4.158 5.635 2.269 1.00 0.00 O ATOM 386 CB LEU A 23 1.861 7.563 2.848 1.00 0.00 C ATOM 387 CG LEU A 23 0.669 6.628 2.647 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.068 6.458 3.976 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.268 7.270 1.619 1.00 0.00 C ATOM 0 H LEU A 23 4.410 8.189 2.849 1.00 0.00 H new ATOM 0 HA LEU A 23 2.549 6.922 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.495 8.510 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.303 7.774 1.875 1.00 0.00 H new ATOM 0 HG LEU A 23 1.002 5.651 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.919 5.792 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.610 6.032 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.420 7.429 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.129 6.622 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.607 8.237 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.264 7.408 0.678 1.00 0.00 H new ATOM 401 N ASN A 24 3.122 4.617 4.009 1.00 0.00 N ATOM 402 CA ASN A 24 3.631 3.275 3.777 1.00 0.00 C ATOM 403 C ASN A 24 2.453 2.306 3.655 1.00 0.00 C ATOM 404 O ASN A 24 1.886 1.906 4.672 1.00 0.00 O ATOM 405 CB ASN A 24 4.526 2.872 4.955 1.00 0.00 C ATOM 406 CG ASN A 24 5.850 3.638 5.049 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.978 4.766 4.580 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.856 3.026 5.677 1.00 0.00 N ATOM 0 H ASN A 24 2.466 4.668 4.788 1.00 0.00 H new ATOM 0 HA ASN A 24 4.213 3.246 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.971 3.019 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.744 1.807 4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.756 3.495 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.725 2.089 6.058 1.00 0.00 H new ATOM 415 N CYS A 25 2.108 1.900 2.423 1.00 0.00 N ATOM 416 CA CYS A 25 1.078 0.891 2.186 1.00 0.00 C ATOM 417 C CYS A 25 1.714 -0.492 2.299 1.00 0.00 C ATOM 418 O CYS A 25 1.838 -1.195 1.299 1.00 0.00 O ATOM 419 CB CYS A 25 0.436 1.042 0.795 1.00 0.00 C ATOM 420 SG CYS A 25 -0.307 2.639 0.374 1.00 0.00 S ATOM 0 H CYS A 25 2.536 2.263 1.571 1.00 0.00 H new ATOM 0 HA CYS A 25 0.292 1.022 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.199 0.821 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.336 0.278 0.698 1.00 0.00 H new ATOM 425 N TYR A 26 2.142 -0.890 3.501 1.00 0.00 N ATOM 426 CA TYR A 26 2.838 -2.156 3.668 1.00 0.00 C ATOM 427 C TYR A 26 1.823 -3.289 3.534 1.00 0.00 C ATOM 428 O TYR A 26 0.727 -3.183 4.078 1.00 0.00 O ATOM 429 CB TYR A 26 3.563 -2.173 5.021 1.00 0.00 C ATOM 430 CG TYR A 26 4.289 -3.462 5.378 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.929 -4.235 4.390 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.365 -3.870 6.721 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.540 -5.454 4.723 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.958 -5.101 7.055 1.00 0.00 C ATOM 435 CZ TYR A 26 5.531 -5.902 6.054 1.00 0.00 C ATOM 436 OH TYR A 26 6.081 -7.109 6.377 1.00 0.00 O ATOM 0 H TYR A 26 2.017 -0.356 4.361 1.00 0.00 H new ATOM 0 HA TYR A 26 3.599 -2.289 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.287 -1.358 5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.834 -1.963 5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.950 -3.887 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.967 -3.236 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.017 -6.047 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.973 -5.431 8.083 1.00 0.00 H new ATOM 0 HH TYR A 26 6.524 -7.488 5.589 1.00 0.00 H new ATOM 446 N VAL A 27 2.166 -4.352 2.797 1.00 0.00 N ATOM 447 CA VAL A 27 1.314 -5.522 2.642 1.00 0.00 C ATOM 448 C VAL A 27 2.174 -6.750 2.878 1.00 0.00 C ATOM 449 O VAL A 27 3.316 -6.786 2.421 1.00 0.00 O ATOM 450 CB VAL A 27 0.683 -5.594 1.241 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.467 -6.604 1.226 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.120 -4.251 0.798 1.00 0.00 C ATOM 0 H VAL A 27 3.049 -4.418 2.291 1.00 0.00 H new ATOM 0 HA VAL A 27 0.495 -5.464 3.359 1.00 0.00 H new ATOM 0 HB VAL A 27 1.478 -5.895 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.903 -6.644 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.089 -7.590 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.229 -6.299 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.315 -4.349 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.649 -3.929 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.920 -3.512 0.772 1.00 0.00 H new ATOM 462 N SER A 28 1.622 -7.760 3.560 1.00 0.00 N ATOM 463 CA SER A 28 2.302 -9.028 3.734 1.00 0.00 C ATOM 464 C SER A 28 1.316 -10.181 3.916 1.00 0.00 C ATOM 465 O SER A 28 0.115 -10.011 3.713 1.00 0.00 O ATOM 466 CB SER A 28 3.306 -8.916 4.893 1.00 0.00 C ATOM 467 OG SER A 28 2.621 -8.704 6.109 1.00 0.00 O ATOM 0 H SER A 28 0.702 -7.713 3.998 1.00 0.00 H new ATOM 0 HA SER A 28 2.858 -9.261 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.903 -9.826 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.997 -8.094 4.708 1.00 0.00 H new ATOM 0 HG SER A 28 3.268 -8.635 6.842 1.00 0.00 H new ATOM 473 N GLY A 29 1.832 -11.373 4.251 1.00 0.00 N ATOM 474 CA GLY A 29 1.032 -12.567 4.475 1.00 0.00 C ATOM 475 C GLY A 29 0.769 -13.329 3.177 1.00 0.00 C ATOM 476 O GLY A 29 0.783 -14.559 3.173 1.00 0.00 O ATOM 0 H GLY A 29 2.833 -11.528 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.544 -13.220 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.082 -12.287 4.930 1.00 0.00 H new ATOM 480 N PHE A 30 0.497 -12.598 2.089 1.00 0.00 N ATOM 481 CA PHE A 30 0.051 -13.149 0.821 1.00 0.00 C ATOM 482 C PHE A 30 1.116 -14.009 0.138 1.00 0.00 C ATOM 483 O PHE A 30 2.269 -14.032 0.560 1.00 0.00 O ATOM 484 CB PHE A 30 -0.428 -12.021 -0.095 1.00 0.00 C ATOM 485 CG PHE A 30 0.651 -11.058 -0.541 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.385 -11.346 -1.703 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.929 -9.884 0.186 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.401 -10.488 -2.134 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.945 -9.019 -0.247 1.00 0.00 C ATOM 490 CZ PHE A 30 2.683 -9.331 -1.399 1.00 0.00 C ATOM 0 H PHE A 30 0.586 -11.582 2.075 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.783 -13.819 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.889 -12.462 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.205 -11.458 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.163 -12.239 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.361 -9.650 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.964 -10.716 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.159 -8.115 0.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.476 -8.672 -1.721 1.00 0.00 H new ATOM 500 N HIS A 31 0.694 -14.693 -0.932 1.00 0.00 N ATOM 501 CA HIS A 31 1.482 -15.459 -1.894 1.00 0.00 C ATOM 502 C HIS A 31 0.473 -15.906 -2.967 1.00 0.00 C ATOM 503 O HIS A 31 -0.672 -16.190 -2.609 1.00 0.00 O ATOM 504 CB HIS A 31 2.233 -16.632 -1.232 1.00 0.00 C ATOM 505 CG HIS A 31 1.477 -17.929 -1.126 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.099 -18.470 0.102 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.146 -18.808 -2.120 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.555 -19.652 -0.202 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.558 -19.901 -1.522 1.00 0.00 N ATOM 0 H HIS A 31 -0.299 -14.725 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 31 2.282 -14.864 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.149 -16.814 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.531 -16.326 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.314 -18.671 -3.178 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.156 -20.334 0.534 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.197 -20.733 -1.988 1.00 0.00 H new ATOM 517 N PRO A 32 0.824 -15.971 -4.264 1.00 0.00 N ATOM 518 CA PRO A 32 2.151 -15.800 -4.841 1.00 0.00 C ATOM 519 C PRO A 32 2.463 -14.312 -5.093 1.00 0.00 C ATOM 520 O PRO A 32 1.979 -13.444 -4.370 1.00 0.00 O ATOM 521 CB PRO A 32 2.096 -16.657 -6.115 1.00 0.00 C ATOM 522 CG PRO A 32 0.672 -16.415 -6.602 1.00 0.00 C ATOM 523 CD PRO A 32 -0.104 -16.429 -5.288 1.00 0.00 C ATOM 0 HA PRO A 32 2.964 -16.117 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.837 -16.343 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.282 -17.711 -5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.574 -15.465 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.334 -17.193 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.976 -15.777 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.470 -17.431 -5.062 1.00 0.00 H new ATOM 531 N SER A 33 3.308 -14.014 -6.087 1.00 0.00 N ATOM 532 CA SER A 33 4.038 -12.759 -6.198 1.00 0.00 C ATOM 533 C SER A 33 3.262 -11.599 -6.821 1.00 0.00 C ATOM 534 O SER A 33 3.564 -10.446 -6.519 1.00 0.00 O ATOM 535 CB SER A 33 5.326 -13.021 -6.986 1.00 0.00 C ATOM 536 OG SER A 33 5.038 -13.386 -8.321 1.00 0.00 O ATOM 0 H SER A 33 3.503 -14.659 -6.852 1.00 0.00 H new ATOM 0 HA SER A 33 4.241 -12.429 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.951 -12.128 -6.976 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.897 -13.814 -6.503 1.00 0.00 H new ATOM 0 HG SER A 33 5.875 -13.546 -8.804 1.00 0.00 H new ATOM 542 N ASP A 34 2.318 -11.885 -7.723 1.00 0.00 N ATOM 543 CA ASP A 34 1.723 -10.884 -8.596 1.00 0.00 C ATOM 544 C ASP A 34 0.726 -9.998 -7.840 1.00 0.00 C ATOM 545 O ASP A 34 -0.459 -10.317 -7.771 1.00 0.00 O ATOM 546 CB ASP A 34 1.095 -11.596 -9.802 1.00 0.00 C ATOM 547 CG ASP A 34 0.318 -10.641 -10.705 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.908 -9.605 -11.080 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.851 -10.968 -11.004 1.00 0.00 O ATOM 0 H ASP A 34 1.947 -12.825 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 34 2.494 -10.204 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.880 -12.082 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.427 -12.381 -9.449 1.00 0.00 H new ATOM 554 N ILE A 35 1.219 -8.882 -7.282 1.00 0.00 N ATOM 555 CA ILE A 35 0.413 -7.861 -6.619 1.00 0.00 C ATOM 556 C ILE A 35 0.754 -6.460 -7.125 1.00 0.00 C ATOM 557 O ILE A 35 1.890 -6.188 -7.511 1.00 0.00 O ATOM 558 CB ILE A 35 0.542 -7.980 -5.091 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.395 -7.039 -4.318 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.965 -7.728 -4.624 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.456 -7.392 -2.830 1.00 0.00 C ATOM 0 H ILE A 35 2.216 -8.665 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.633 -8.032 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 35 0.250 -9.007 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.053 -6.010 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.396 -7.092 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.014 -7.821 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.633 -8.458 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.271 -6.723 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.129 -6.703 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.823 -8.412 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.541 -7.313 -2.396 1.00 0.00 H new ATOM 573 N GLU A 36 -0.256 -5.585 -7.108 1.00 0.00 N ATOM 574 CA GLU A 36 -0.221 -4.224 -7.623 1.00 0.00 C ATOM 575 C GLU A 36 -0.647 -3.245 -6.528 1.00 0.00 C ATOM 576 O GLU A 36 -1.748 -3.382 -5.993 1.00 0.00 O ATOM 577 CB GLU A 36 -1.169 -4.092 -8.816 1.00 0.00 C ATOM 578 CG GLU A 36 -1.123 -5.314 -9.731 1.00 0.00 C ATOM 579 CD GLU A 36 -1.926 -5.066 -11.003 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.148 -4.836 -10.859 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.309 -5.092 -12.089 1.00 0.00 O ATOM 0 H GLU A 36 -1.165 -5.825 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 36 0.796 -3.994 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.187 -3.950 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.907 -3.202 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.089 -5.544 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.522 -6.182 -9.207 1.00 0.00 H new ATOM 588 N VAL A 37 0.214 -2.269 -6.202 1.00 0.00 N ATOM 589 CA VAL A 37 -0.029 -1.287 -5.149 1.00 0.00 C ATOM 590 C VAL A 37 0.521 0.077 -5.573 1.00 0.00 C ATOM 591 O VAL A 37 1.587 0.494 -5.120 1.00 0.00 O ATOM 592 CB VAL A 37 0.572 -1.784 -3.816 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.306 -0.883 -2.600 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.025 -3.172 -3.471 1.00 0.00 C ATOM 0 H VAL A 37 1.110 -2.143 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.101 -1.166 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 37 1.647 -1.786 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.769 -1.320 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.729 0.105 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.769 -0.795 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.457 -3.510 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.060 -3.122 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.287 -3.874 -4.263 1.00 0.00 H new ATOM 604 N ASP A 38 -0.239 0.791 -6.415 1.00 0.00 N ATOM 605 CA ASP A 38 -0.050 2.221 -6.619 1.00 0.00 C ATOM 606 C ASP A 38 -0.602 2.969 -5.409 1.00 0.00 C ATOM 607 O ASP A 38 -1.503 2.479 -4.729 1.00 0.00 O ATOM 608 CB ASP A 38 -0.785 2.714 -7.875 1.00 0.00 C ATOM 609 CG ASP A 38 -0.313 2.025 -9.149 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.901 2.114 -9.432 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.184 1.462 -9.846 1.00 0.00 O ATOM 0 H ASP A 38 -0.996 0.390 -6.968 1.00 0.00 H new ATOM 0 HA ASP A 38 1.016 2.408 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.855 2.546 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.641 3.790 -7.975 1.00 0.00 H new ATOM 616 N LEU A 39 -0.081 4.176 -5.176 1.00 0.00 N ATOM 617 CA LEU A 39 -0.602 5.112 -4.196 1.00 0.00 C ATOM 618 C LEU A 39 -1.330 6.231 -4.945 1.00 0.00 C ATOM 619 O LEU A 39 -0.968 6.569 -6.073 1.00 0.00 O ATOM 620 CB LEU A 39 0.522 5.591 -3.270 1.00 0.00 C ATOM 621 CG LEU A 39 1.108 4.409 -2.473 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.333 3.777 -3.143 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.544 4.894 -1.090 1.00 0.00 C ATOM 0 H LEU A 39 0.733 4.531 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.330 4.641 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.308 6.065 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.138 6.345 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 39 0.320 3.658 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.697 2.951 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.056 3.404 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.118 4.526 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.959 4.059 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.302 5.670 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.683 5.299 -0.558 1.00 0.00 H new ATOM 635 N LEU A 40 -2.425 6.722 -4.353 1.00 0.00 N ATOM 636 CA LEU A 40 -3.516 7.346 -5.088 1.00 0.00 C ATOM 637 C LEU A 40 -4.161 8.398 -4.180 1.00 0.00 C ATOM 638 O LEU A 40 -4.612 8.042 -3.095 1.00 0.00 O ATOM 639 CB LEU A 40 -4.500 6.215 -5.444 1.00 0.00 C ATOM 640 CG LEU A 40 -5.376 6.398 -6.692 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.285 7.626 -6.617 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.531 6.436 -7.967 1.00 0.00 C ATOM 0 H LEU A 40 -2.574 6.694 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.190 7.847 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.925 5.297 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.160 6.064 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.027 5.525 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.877 7.697 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.951 7.534 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.676 8.523 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.182 6.567 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.828 7.268 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.980 5.501 -8.066 1.00 0.00 H new ATOM 654 N LYS A 41 -4.210 9.679 -4.583 1.00 0.00 N ATOM 655 CA LYS A 41 -4.876 10.710 -3.784 1.00 0.00 C ATOM 656 C LYS A 41 -6.401 10.655 -3.969 1.00 0.00 C ATOM 657 O LYS A 41 -6.982 9.575 -4.050 1.00 0.00 O ATOM 658 CB LYS A 41 -4.269 12.095 -4.061 1.00 0.00 C ATOM 659 CG LYS A 41 -2.791 12.157 -3.688 1.00 0.00 C ATOM 660 CD LYS A 41 -1.875 12.309 -4.903 1.00 0.00 C ATOM 661 CE LYS A 41 -1.880 13.722 -5.502 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.373 14.741 -4.568 1.00 0.00 N ATOM 0 H LYS A 41 -3.798 10.019 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.698 10.509 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.387 12.338 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.817 12.850 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.628 12.994 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.520 11.251 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.856 12.049 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.181 11.597 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.272 13.730 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.896 13.982 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.809 15.441 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.174 15.217 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.778 14.286 -3.847 1.00 0.00 H new ATOM 676 N ASN A 42 -7.053 11.821 -4.042 1.00 0.00 N ATOM 677 CA ASN A 42 -8.464 11.957 -4.375 1.00 0.00 C ATOM 678 C ASN A 42 -8.762 11.348 -5.752 1.00 0.00 C ATOM 679 O ASN A 42 -9.766 10.657 -5.912 1.00 0.00 O ATOM 680 CB ASN A 42 -8.888 13.433 -4.284 1.00 0.00 C ATOM 681 CG ASN A 42 -8.395 14.273 -5.467 1.00 0.00 C ATOM 682 OD1 ASN A 42 -9.194 14.687 -6.302 1.00 0.00 O ATOM 683 ND2 ASN A 42 -7.084 14.509 -5.567 1.00 0.00 N ATOM 0 H ASN A 42 -6.596 12.716 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.057 11.399 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.975 13.490 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.503 13.859 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.721 15.047 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.446 14.151 -4.856 1.00 0.00 H new ATOM 690 N GLY A 43 -7.881 11.579 -6.734 1.00 0.00 N ATOM 691 CA GLY A 43 -7.999 11.000 -8.063 1.00 0.00 C ATOM 692 C GLY A 43 -6.763 11.274 -8.922 1.00 0.00 C ATOM 693 O GLY A 43 -6.898 11.479 -10.126 1.00 0.00 O ATOM 0 H GLY A 43 -7.063 12.178 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.149 9.924 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.881 11.406 -8.558 1.00 0.00 H new ATOM 697 N GLU A 44 -5.569 11.265 -8.313 1.00 0.00 N ATOM 698 CA GLU A 44 -4.291 11.438 -8.998 1.00 0.00 C ATOM 699 C GLU A 44 -3.356 10.298 -8.586 1.00 0.00 C ATOM 700 O GLU A 44 -3.235 10.005 -7.397 1.00 0.00 O ATOM 701 CB GLU A 44 -3.708 12.809 -8.631 1.00 0.00 C ATOM 702 CG GLU A 44 -2.413 13.131 -9.392 1.00 0.00 C ATOM 703 CD GLU A 44 -1.800 14.459 -8.948 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.583 15.381 -8.632 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.552 14.524 -8.912 1.00 0.00 O ATOM 0 H GLU A 44 -5.468 11.134 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.419 11.404 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.448 13.581 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.511 12.839 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.692 12.329 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.621 13.168 -10.461 1.00 0.00 H new ATOM 712 N ARG A 45 -2.706 9.656 -9.569 1.00 0.00 N ATOM 713 CA ARG A 45 -1.764 8.566 -9.343 1.00 0.00 C ATOM 714 C ARG A 45 -0.385 9.131 -9.022 1.00 0.00 C ATOM 715 O ARG A 45 0.100 10.033 -9.703 1.00 0.00 O ATOM 716 CB ARG A 45 -1.716 7.639 -10.566 1.00 0.00 C ATOM 717 CG ARG A 45 -0.768 6.451 -10.340 1.00 0.00 C ATOM 718 CD ARG A 45 -0.811 5.485 -11.527 1.00 0.00 C ATOM 719 NE ARG A 45 0.165 4.394 -11.359 1.00 0.00 N ATOM 720 CZ ARG A 45 0.910 3.818 -12.321 1.00 0.00 C ATOM 721 NH1 ARG A 45 0.861 4.233 -13.596 1.00 0.00 N ATOM 722 NH2 ARG A 45 1.718 2.802 -11.994 1.00 0.00 N ATOM 0 H ARG A 45 -2.827 9.888 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.098 7.974 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.718 7.269 -10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.390 8.204 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.250 6.814 -10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.049 5.925 -9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.813 5.068 -11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.600 6.027 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 45 0.290 4.037 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.247 5.005 -13.858 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.437 3.777 -14.303 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.762 2.476 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.289 2.354 -12.710 1.00 0.00 H new ATOM 736 N ILE A 46 0.240 8.580 -7.980 1.00 0.00 N ATOM 737 CA ILE A 46 1.533 8.965 -7.492 1.00 0.00 C ATOM 738 C ILE A 46 2.564 8.120 -8.233 1.00 0.00 C ATOM 739 O ILE A 46 2.511 6.892 -8.184 1.00 0.00 O ATOM 740 CB ILE A 46 1.520 8.722 -5.979 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.454 9.635 -5.342 1.00 0.00 C ATOM 742 CG2 ILE A 46 2.901 9.007 -5.413 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.222 9.384 -3.855 1.00 0.00 C ATOM 0 H ILE A 46 -0.174 7.820 -7.440 1.00 0.00 H new ATOM 0 HA ILE A 46 1.782 10.012 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 46 1.270 7.685 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.752 10.674 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.488 9.500 -5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.896 8.835 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.630 8.346 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.169 10.044 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.542 10.068 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.108 8.356 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.151 9.549 -3.309 1.00 0.00 H new ATOM 755 N GLU A 47 3.482 8.791 -8.932 1.00 0.00 N ATOM 756 CA GLU A 47 4.569 8.164 -9.670 1.00 0.00 C ATOM 757 C GLU A 47 5.797 7.965 -8.777 1.00 0.00 C ATOM 758 O GLU A 47 6.516 6.982 -8.952 1.00 0.00 O ATOM 759 CB GLU A 47 4.910 8.999 -10.908 1.00 0.00 C ATOM 760 CG GLU A 47 3.723 9.064 -11.880 1.00 0.00 C ATOM 761 CD GLU A 47 4.112 9.741 -13.191 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.601 10.889 -13.116 1.00 0.00 O ATOM 763 OE2 GLU A 47 3.914 9.097 -14.244 1.00 0.00 O ATOM 0 H GLU A 47 3.486 9.809 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 47 4.245 7.177 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.189 10.008 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.774 8.568 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.362 8.056 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.901 9.610 -11.417 1.00 0.00 H new ATOM 770 N LYS A 48 6.038 8.876 -7.820 1.00 0.00 N ATOM 771 CA LYS A 48 7.145 8.784 -6.874 1.00 0.00 C ATOM 772 C LYS A 48 6.806 7.770 -5.776 1.00 0.00 C ATOM 773 O LYS A 48 6.569 8.128 -4.624 1.00 0.00 O ATOM 774 CB LYS A 48 7.480 10.186 -6.334 1.00 0.00 C ATOM 775 CG LYS A 48 8.646 10.243 -5.330 1.00 0.00 C ATOM 776 CD LYS A 48 9.920 9.542 -5.822 1.00 0.00 C ATOM 777 CE LYS A 48 11.045 9.707 -4.794 1.00 0.00 C ATOM 778 NZ LYS A 48 12.251 8.957 -5.186 1.00 0.00 N ATOM 0 H LYS A 48 5.458 9.704 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 48 8.044 8.416 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.716 10.835 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.590 10.595 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.877 11.286 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.329 9.786 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.721 8.483 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.228 9.962 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.291 10.764 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.702 9.361 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.992 9.091 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.021 7.946 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.592 9.304 -6.105 1.00 0.00 H new ATOM 792 N VAL A 49 6.794 6.489 -6.154 1.00 0.00 N ATOM 793 CA VAL A 49 6.615 5.355 -5.266 1.00 0.00 C ATOM 794 C VAL A 49 7.940 4.601 -5.241 1.00 0.00 C ATOM 795 O VAL A 49 8.332 4.021 -6.252 1.00 0.00 O ATOM 796 CB VAL A 49 5.474 4.461 -5.781 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.283 3.251 -4.857 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.174 5.268 -5.868 1.00 0.00 C ATOM 0 H VAL A 49 6.914 6.211 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 49 6.344 5.674 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 49 5.735 4.100 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.472 2.629 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.204 2.668 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.038 3.595 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.372 4.627 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.914 5.647 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.310 6.105 -6.553 1.00 0.00 H new ATOM 808 N GLU A 50 8.623 4.604 -4.092 1.00 0.00 N ATOM 809 CA GLU A 50 9.782 3.761 -3.865 1.00 0.00 C ATOM 810 C GLU A 50 9.270 2.498 -3.171 1.00 0.00 C ATOM 811 O GLU A 50 8.127 2.462 -2.712 1.00 0.00 O ATOM 812 CB GLU A 50 10.821 4.543 -3.048 1.00 0.00 C ATOM 813 CG GLU A 50 12.238 3.992 -3.200 1.00 0.00 C ATOM 814 CD GLU A 50 13.227 4.833 -2.400 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.559 5.935 -2.891 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.618 4.367 -1.308 1.00 0.00 O ATOM 0 H GLU A 50 8.381 5.195 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 50 10.289 3.468 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.808 5.588 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.539 4.520 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.271 2.958 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.522 3.989 -4.252 1.00 0.00 H new ATOM 823 N HIS A 51 10.089 1.449 -3.101 1.00 0.00 N ATOM 824 CA HIS A 51 9.695 0.228 -2.425 1.00 0.00 C ATOM 825 C HIS A 51 10.918 -0.488 -1.869 1.00 0.00 C ATOM 826 O HIS A 51 12.003 -0.420 -2.445 1.00 0.00 O ATOM 827 CB HIS A 51 8.902 -0.675 -3.381 1.00 0.00 C ATOM 828 CG HIS A 51 9.710 -1.158 -4.557 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.364 -2.390 -4.535 1.00 0.00 N ATOM 830 CD2 HIS A 51 9.963 -0.542 -5.754 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.987 -2.467 -5.712 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.775 -1.386 -6.482 1.00 0.00 N ATOM 0 H HIS A 51 11.025 1.427 -3.505 1.00 0.00 H new ATOM 0 HA HIS A 51 9.047 0.479 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.528 -1.537 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.032 -0.129 -3.747 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.365 -3.080 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.595 0.424 -6.069 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.596 -3.307 -6.013 1.00 0.00 H new ATOM 840 N SER A 52 10.715 -1.198 -0.756 1.00 0.00 N ATOM 841 CA SER A 52 11.631 -2.228 -0.305 1.00 0.00 C ATOM 842 C SER A 52 11.444 -3.439 -1.219 1.00 0.00 C ATOM 843 O SER A 52 10.338 -3.678 -1.706 1.00 0.00 O ATOM 844 CB SER A 52 11.340 -2.578 1.158 1.00 0.00 C ATOM 845 OG SER A 52 12.326 -3.454 1.659 1.00 0.00 O ATOM 0 H SER A 52 9.907 -1.068 -0.147 1.00 0.00 H new ATOM 0 HA SER A 52 12.665 -1.888 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.314 -1.668 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.357 -3.042 1.239 1.00 0.00 H new ATOM 0 HG SER A 52 12.129 -3.668 2.595 1.00 0.00 H new ATOM 851 N ASP A 53 12.522 -4.192 -1.459 1.00 0.00 N ATOM 852 CA ASP A 53 12.518 -5.344 -2.351 1.00 0.00 C ATOM 853 C ASP A 53 11.527 -6.416 -1.889 1.00 0.00 C ATOM 854 O ASP A 53 11.020 -6.371 -0.766 1.00 0.00 O ATOM 855 CB ASP A 53 13.935 -5.925 -2.439 1.00 0.00 C ATOM 856 CG ASP A 53 14.408 -6.450 -1.085 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.966 -5.629 -0.325 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.191 -7.654 -0.831 1.00 0.00 O ATOM 0 H ASP A 53 13.430 -4.012 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 53 12.196 -5.012 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.954 -6.733 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.623 -5.158 -2.794 1.00 0.00 H new ATOM 863 N LEU A 54 11.267 -7.398 -2.762 1.00 0.00 N ATOM 864 CA LEU A 54 10.436 -8.536 -2.411 1.00 0.00 C ATOM 865 C LEU A 54 11.159 -9.336 -1.328 1.00 0.00 C ATOM 866 O LEU A 54 12.173 -9.980 -1.589 1.00 0.00 O ATOM 867 CB LEU A 54 10.098 -9.379 -3.648 1.00 0.00 C ATOM 868 CG LEU A 54 8.895 -10.324 -3.447 1.00 0.00 C ATOM 869 CD1 LEU A 54 8.985 -11.198 -2.199 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.552 -9.586 -3.452 1.00 0.00 C ATOM 0 H LEU A 54 11.625 -7.419 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 54 9.477 -8.200 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.889 -8.712 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.971 -9.971 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 54 8.943 -10.984 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.100 -11.831 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.876 -11.824 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.043 -10.564 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.743 -10.302 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.537 -8.853 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.420 -9.078 -4.407 1.00 0.00 H new ATOM 882 N SER A 55 10.608 -9.274 -0.115 1.00 0.00 N ATOM 883 CA SER A 55 11.158 -9.856 1.092 1.00 0.00 C ATOM 884 C SER A 55 10.222 -10.969 1.557 1.00 0.00 C ATOM 885 O SER A 55 9.629 -10.885 2.628 1.00 0.00 O ATOM 886 CB SER A 55 11.327 -8.745 2.138 1.00 0.00 C ATOM 887 OG SER A 55 11.989 -9.234 3.286 1.00 0.00 O ATOM 0 H SER A 55 9.725 -8.792 0.051 1.00 0.00 H new ATOM 0 HA SER A 55 12.140 -10.297 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.895 -7.919 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.350 -8.350 2.417 1.00 0.00 H new ATOM 0 HG SER A 55 12.088 -8.511 3.940 1.00 0.00 H new ATOM 893 N PHE A 56 10.083 -12.024 0.749 1.00 0.00 N ATOM 894 CA PHE A 56 9.317 -13.198 1.137 1.00 0.00 C ATOM 895 C PHE A 56 10.009 -13.826 2.349 1.00 0.00 C ATOM 896 O PHE A 56 11.211 -14.089 2.297 1.00 0.00 O ATOM 897 CB PHE A 56 9.195 -14.166 -0.054 1.00 0.00 C ATOM 898 CG PHE A 56 10.431 -14.965 -0.400 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.432 -14.410 -1.214 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.575 -16.271 0.103 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.588 -15.152 -1.510 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.730 -17.014 -0.193 1.00 0.00 C ATOM 903 CZ PHE A 56 12.736 -16.455 -1.001 1.00 0.00 C ATOM 0 H PHE A 56 10.496 -12.083 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 56 8.297 -12.935 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.384 -14.864 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.903 -13.591 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.313 -13.413 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.798 -16.702 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.362 -14.722 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.845 -18.013 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.623 -17.027 -1.231 1.00 0.00 H new ATOM 913 N SER A 57 9.282 -14.034 3.456 1.00 0.00 N ATOM 914 CA SER A 57 9.868 -14.725 4.594 1.00 0.00 C ATOM 915 C SER A 57 10.131 -16.164 4.161 1.00 0.00 C ATOM 916 O SER A 57 9.248 -16.808 3.591 1.00 0.00 O ATOM 917 CB SER A 57 8.971 -14.662 5.833 1.00 0.00 C ATOM 918 OG SER A 57 9.647 -15.160 6.970 1.00 0.00 O ATOM 0 H SER A 57 8.313 -13.739 3.579 1.00 0.00 H new ATOM 0 HA SER A 57 10.798 -14.238 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.661 -13.632 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.064 -15.242 5.661 1.00 0.00 H new ATOM 0 HG SER A 57 9.533 -16.132 7.019 1.00 0.00 H new ATOM 924 N LYS A 58 11.349 -16.656 4.414 1.00 0.00 N ATOM 925 CA LYS A 58 11.787 -17.976 3.979 1.00 0.00 C ATOM 926 C LYS A 58 11.046 -19.109 4.688 1.00 0.00 C ATOM 927 O LYS A 58 11.242 -20.271 4.337 1.00 0.00 O ATOM 928 CB LYS A 58 13.312 -18.096 4.104 1.00 0.00 C ATOM 929 CG LYS A 58 14.016 -17.012 3.270 1.00 0.00 C ATOM 930 CD LYS A 58 15.548 -17.124 3.299 1.00 0.00 C ATOM 931 CE LYS A 58 16.103 -18.411 2.673 1.00 0.00 C ATOM 932 NZ LYS A 58 15.650 -18.597 1.282 1.00 0.00 N ATOM 0 H LYS A 58 12.061 -16.140 4.931 1.00 0.00 H new ATOM 0 HA LYS A 58 11.527 -18.084 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.604 -18.003 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.632 -19.083 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.673 -17.078 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.723 -16.030 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.972 -16.268 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.885 -17.064 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.192 -18.384 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.792 -19.267 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.142 -19.412 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.624 -18.768 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.864 -17.742 0.730 1.00 0.00 H new ATOM 946 N ASP A 59 10.153 -18.771 5.625 1.00 0.00 N ATOM 947 CA ASP A 59 9.166 -19.683 6.158 1.00 0.00 C ATOM 948 C ASP A 59 8.163 -20.038 5.053 1.00 0.00 C ATOM 949 O ASP A 59 8.342 -21.048 4.376 1.00 0.00 O ATOM 950 CB ASP A 59 8.497 -19.056 7.395 1.00 0.00 C ATOM 951 CG ASP A 59 9.514 -18.677 8.464 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.123 -17.597 8.298 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.662 -19.465 9.423 1.00 0.00 O ATOM 0 H ASP A 59 10.105 -17.837 6.033 1.00 0.00 H new ATOM 0 HA ASP A 59 9.633 -20.611 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.939 -18.169 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.777 -19.759 7.813 1.00 0.00 H new ATOM 958 N TRP A 60 7.126 -19.208 4.867 1.00 0.00 N ATOM 959 CA TRP A 60 6.088 -19.365 3.854 1.00 0.00 C ATOM 960 C TRP A 60 5.194 -18.117 3.834 1.00 0.00 C ATOM 961 O TRP A 60 4.000 -18.184 4.115 1.00 0.00 O ATOM 962 CB TRP A 60 5.321 -20.683 4.019 1.00 0.00 C ATOM 963 CG TRP A 60 4.601 -20.884 5.309 1.00 0.00 C ATOM 964 CD1 TRP A 60 5.154 -21.200 6.497 1.00 0.00 C ATOM 965 CD2 TRP A 60 3.173 -20.800 5.541 1.00 0.00 C ATOM 966 NE1 TRP A 60 4.165 -21.320 7.455 1.00 0.00 N ATOM 967 CE2 TRP A 60 2.915 -21.088 6.911 1.00 0.00 C ATOM 968 CE3 TRP A 60 2.074 -20.502 4.715 1.00 0.00 C ATOM 969 CZ2 TRP A 60 1.614 -21.091 7.436 1.00 0.00 C ATOM 970 CZ3 TRP A 60 0.763 -20.519 5.226 1.00 0.00 C ATOM 971 CH2 TRP A 60 0.532 -20.810 6.583 1.00 0.00 C ATOM 0 H TRP A 60 6.988 -18.378 5.444 1.00 0.00 H new ATOM 0 HA TRP A 60 6.551 -19.441 2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.595 -20.757 3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.026 -21.505 3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.210 -21.339 6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.335 -21.549 8.434 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.238 -20.257 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.446 -21.306 8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.071 -20.307 4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.476 -20.818 6.970 1.00 0.00 H new ATOM 982 N SER A 61 5.780 -16.965 3.482 1.00 0.00 N ATOM 983 CA SER A 61 5.061 -15.711 3.277 1.00 0.00 C ATOM 984 C SER A 61 5.807 -14.884 2.231 1.00 0.00 C ATOM 985 O SER A 61 6.989 -15.116 2.005 1.00 0.00 O ATOM 986 CB SER A 61 4.917 -14.960 4.607 1.00 0.00 C ATOM 987 OG SER A 61 4.100 -13.817 4.451 1.00 0.00 O ATOM 0 H SER A 61 6.785 -16.882 3.330 1.00 0.00 H new ATOM 0 HA SER A 61 4.053 -15.906 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.486 -15.621 5.359 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.901 -14.663 4.971 1.00 0.00 H new ATOM 0 HG SER A 61 4.019 -13.353 5.310 1.00 0.00 H new ATOM 993 N PHE A 62 5.105 -13.942 1.592 1.00 0.00 N ATOM 994 CA PHE A 62 5.527 -13.150 0.446 1.00 0.00 C ATOM 995 C PHE A 62 5.115 -11.708 0.738 1.00 0.00 C ATOM 996 O PHE A 62 3.951 -11.487 1.073 1.00 0.00 O ATOM 997 CB PHE A 62 4.808 -13.677 -0.807 1.00 0.00 C ATOM 998 CG PHE A 62 5.706 -13.832 -2.004 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.521 -14.970 -2.101 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.784 -12.827 -2.980 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.404 -15.120 -3.176 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.677 -12.972 -4.051 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.482 -14.120 -4.159 1.00 0.00 C ATOM 0 H PHE A 62 4.159 -13.701 1.889 1.00 0.00 H new ATOM 0 HA PHE A 62 6.602 -13.210 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.356 -14.642 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.995 -12.997 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.466 -15.735 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.161 -11.948 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.023 -16.002 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.747 -12.196 -4.799 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.157 -14.232 -4.994 1.00 0.00 H new ATOM 1013 N TYR A 63 6.034 -10.734 0.657 1.00 0.00 N ATOM 1014 CA TYR A 63 5.670 -9.358 0.985 1.00 0.00 C ATOM 1015 C TYR A 63 6.698 -8.361 0.467 1.00 0.00 C ATOM 1016 O TYR A 63 7.760 -8.739 -0.019 1.00 0.00 O ATOM 1017 CB TYR A 63 5.549 -9.167 2.493 1.00 0.00 C ATOM 1018 CG TYR A 63 6.703 -9.628 3.332 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.693 -8.695 3.682 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.627 -10.861 3.993 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.625 -9.003 4.682 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.530 -11.152 5.019 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.549 -10.239 5.351 1.00 0.00 C ATOM 1024 OH TYR A 63 9.458 -10.557 6.315 1.00 0.00 O ATOM 0 H TYR A 63 7.005 -10.871 0.376 1.00 0.00 H new ATOM 0 HA TYR A 63 4.710 -9.174 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.390 -8.106 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.654 -9.691 2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.736 -7.740 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.875 -11.583 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.399 -8.295 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.446 -12.083 5.560 1.00 0.00 H new ATOM 0 HH TYR A 63 9.257 -11.447 6.673 1.00 0.00 H new ATOM 1034 N LEU A 64 6.366 -7.074 0.619 1.00 0.00 N ATOM 1035 CA LEU A 64 7.159 -5.941 0.164 1.00 0.00 C ATOM 1036 C LEU A 64 6.542 -4.676 0.756 1.00 0.00 C ATOM 1037 O LEU A 64 5.344 -4.650 1.029 1.00 0.00 O ATOM 1038 CB LEU A 64 7.280 -5.884 -1.377 1.00 0.00 C ATOM 1039 CG LEU A 64 5.987 -5.629 -2.174 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.202 -5.776 -3.689 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.884 -6.627 -1.837 1.00 0.00 C ATOM 0 H LEU A 64 5.503 -6.789 1.081 1.00 0.00 H new ATOM 0 HA LEU A 64 8.186 -6.044 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.994 -5.101 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.707 -6.827 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 64 5.703 -4.613 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.263 -5.587 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.952 -5.058 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.543 -6.787 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.996 -6.401 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.224 -7.637 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.642 -6.558 -0.776 1.00 0.00 H new ATOM 1053 N LEU A 65 7.366 -3.650 0.992 1.00 0.00 N ATOM 1054 CA LEU A 65 6.966 -2.372 1.560 1.00 0.00 C ATOM 1055 C LEU A 65 6.963 -1.345 0.428 1.00 0.00 C ATOM 1056 O LEU A 65 7.888 -1.352 -0.378 1.00 0.00 O ATOM 1057 CB LEU A 65 7.975 -2.020 2.659 1.00 0.00 C ATOM 1058 CG LEU A 65 7.360 -1.238 3.821 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.462 -0.997 4.851 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.758 0.086 3.349 1.00 0.00 C ATOM 0 H LEU A 65 8.363 -3.695 0.783 1.00 0.00 H new ATOM 0 HA LEU A 65 5.970 -2.397 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.418 -2.939 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.785 -1.434 2.224 1.00 0.00 H new ATOM 0 HG LEU A 65 6.544 -1.811 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.056 -0.440 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.849 -1.954 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.269 -0.425 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.330 0.615 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.537 0.699 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.977 -0.111 2.614 1.00 0.00 H new ATOM 1072 N TYR A 66 5.924 -0.504 0.336 1.00 0.00 N ATOM 1073 CA TYR A 66 5.668 0.347 -0.819 1.00 0.00 C ATOM 1074 C TYR A 66 5.355 1.767 -0.338 1.00 0.00 C ATOM 1075 O TYR A 66 4.226 2.049 0.068 1.00 0.00 O ATOM 1076 CB TYR A 66 4.498 -0.214 -1.660 1.00 0.00 C ATOM 1077 CG TYR A 66 4.335 -1.724 -1.785 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.879 -2.458 -0.669 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.231 -2.305 -3.065 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.227 -3.685 -0.841 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.540 -3.519 -3.237 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.961 -4.158 -2.130 1.00 0.00 C ATOM 1083 OH TYR A 66 2.147 -5.238 -2.293 1.00 0.00 O ATOM 0 H TYR A 66 5.231 -0.399 1.077 1.00 0.00 H new ATOM 0 HA TYR A 66 6.554 0.369 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.573 0.183 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.593 0.191 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.034 -2.070 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.683 -1.817 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.930 -4.265 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.455 -3.958 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 66 1.955 -5.362 -3.246 1.00 0.00 H new ATOM 1093 N TYR A 67 6.367 2.643 -0.341 1.00 0.00 N ATOM 1094 CA TYR A 67 6.294 3.936 0.327 1.00 0.00 C ATOM 1095 C TYR A 67 6.465 5.123 -0.615 1.00 0.00 C ATOM 1096 O TYR A 67 7.092 5.037 -1.668 1.00 0.00 O ATOM 1097 CB TYR A 67 7.282 4.014 1.503 1.00 0.00 C ATOM 1098 CG TYR A 67 8.590 3.258 1.381 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.340 3.300 0.196 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.066 2.514 2.474 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.532 2.566 0.083 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.247 1.762 2.357 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.977 1.779 1.157 1.00 0.00 C ATOM 1104 OH TYR A 67 12.114 1.034 1.035 1.00 0.00 O ATOM 0 H TYR A 67 7.257 2.470 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 67 5.280 4.009 0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.517 5.065 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.769 3.654 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.999 3.900 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.522 2.520 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.107 2.607 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.594 1.170 3.191 1.00 0.00 H new ATOM 0 HH TYR A 67 12.279 0.550 1.871 1.00 0.00 H new ATOM 1114 N THR A 68 5.892 6.245 -0.183 1.00 0.00 N ATOM 1115 CA THR A 68 5.957 7.536 -0.859 1.00 0.00 C ATOM 1116 C THR A 68 6.175 8.635 0.183 1.00 0.00 C ATOM 1117 O THR A 68 5.873 8.423 1.359 1.00 0.00 O ATOM 1118 CB THR A 68 4.667 7.763 -1.660 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.805 8.893 -2.496 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.459 7.990 -0.749 1.00 0.00 C ATOM 0 H THR A 68 5.350 6.279 0.680 1.00 0.00 H new ATOM 0 HA THR A 68 6.792 7.557 -1.559 1.00 0.00 H new ATOM 0 HB THR A 68 4.500 6.862 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.404 8.678 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.568 8.146 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.315 7.117 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.632 8.868 -0.127 1.00 0.00 H new ATOM 1128 N GLU A 69 6.637 9.815 -0.247 1.00 0.00 N ATOM 1129 CA GLU A 69 6.750 10.992 0.603 1.00 0.00 C ATOM 1130 C GLU A 69 5.491 11.856 0.450 1.00 0.00 C ATOM 1131 O GLU A 69 5.528 12.924 -0.159 1.00 0.00 O ATOM 1132 CB GLU A 69 8.068 11.749 0.336 1.00 0.00 C ATOM 1133 CG GLU A 69 8.626 11.678 -1.097 1.00 0.00 C ATOM 1134 CD GLU A 69 7.655 12.179 -2.161 1.00 0.00 C ATOM 1135 OE1 GLU A 69 7.687 13.398 -2.438 1.00 0.00 O ATOM 1136 OE2 GLU A 69 6.910 11.325 -2.689 1.00 0.00 O ATOM 0 H GLU A 69 6.945 9.975 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 69 6.804 10.692 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.916 12.798 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.827 11.362 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.543 12.265 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.895 10.646 -1.321 1.00 0.00 H new ATOM 1143 N PHE A 70 4.359 11.388 0.997 1.00 0.00 N ATOM 1144 CA PHE A 70 3.067 12.023 0.760 1.00 0.00 C ATOM 1145 C PHE A 70 2.961 13.361 1.481 1.00 0.00 C ATOM 1146 O PHE A 70 3.379 13.499 2.626 1.00 0.00 O ATOM 1147 CB PHE A 70 1.881 11.136 1.164 1.00 0.00 C ATOM 1148 CG PHE A 70 1.456 11.235 2.613 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.301 10.716 3.599 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.286 11.920 2.992 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.885 10.684 4.937 1.00 0.00 C ATOM 1152 CE2 PHE A 70 0.024 12.122 4.355 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.789 11.462 5.329 1.00 0.00 C ATOM 0 H PHE A 70 4.319 10.571 1.606 1.00 0.00 H new ATOM 0 HA PHE A 70 3.015 12.185 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.028 11.392 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.136 10.098 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.276 10.339 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.401 12.285 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.403 10.067 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.770 12.789 4.656 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.534 11.554 6.374 1.00 0.00 H new ATOM 1163 N THR A 71 2.346 14.323 0.801 1.00 0.00 N ATOM 1164 CA THR A 71 2.070 15.647 1.327 1.00 0.00 C ATOM 1165 C THR A 71 0.549 15.791 1.405 1.00 0.00 C ATOM 1166 O THR A 71 -0.084 15.861 0.351 1.00 0.00 O ATOM 1167 CB THR A 71 2.686 16.696 0.389 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.054 16.412 0.180 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.559 18.092 1.006 1.00 0.00 C ATOM 0 H THR A 71 2.019 14.196 -0.157 1.00 0.00 H new ATOM 0 HA THR A 71 2.503 15.792 2.317 1.00 0.00 H new ATOM 0 HB THR A 71 2.154 16.666 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.440 17.084 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.999 18.828 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.506 18.326 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.082 18.116 1.962 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.060 15.818 2.602 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.503 15.951 2.750 1.00 0.00 C ATOM 1179 C PRO A 72 -1.929 17.397 2.467 1.00 0.00 C ATOM 1180 O PRO A 72 -2.234 18.166 3.378 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.810 15.488 4.174 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.520 15.767 4.940 1.00 0.00 C ATOM 1183 CD PRO A 72 0.587 15.650 3.893 1.00 0.00 C ATOM 0 HA PRO A 72 -2.067 15.347 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.652 16.035 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.070 14.430 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.534 16.759 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.377 15.051 5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.352 16.411 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.083 14.682 3.957 1.00 0.00 H new ATOM 1191 N THR A 73 -1.927 17.750 1.178 1.00 0.00 N ATOM 1192 CA THR A 73 -2.221 19.075 0.654 1.00 0.00 C ATOM 1193 C THR A 73 -3.714 19.221 0.360 1.00 0.00 C ATOM 1194 O THR A 73 -4.406 18.224 0.173 1.00 0.00 O ATOM 1195 CB THR A 73 -1.354 19.349 -0.580 1.00 0.00 C ATOM 1196 OG1 THR A 73 -1.430 20.712 -0.944 1.00 0.00 O ATOM 1197 CG2 THR A 73 -1.769 18.489 -1.772 1.00 0.00 C ATOM 0 H THR A 73 -1.708 17.081 0.440 1.00 0.00 H new ATOM 0 HA THR A 73 -1.975 19.825 1.405 1.00 0.00 H new ATOM 0 HB THR A 73 -0.329 19.093 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.870 20.872 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.129 18.715 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.669 17.435 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.806 18.702 -2.031 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.190 20.470 0.317 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.575 20.858 0.072 1.00 0.00 C ATOM 1207 C GLU A 74 -6.578 19.989 0.843 1.00 0.00 C ATOM 1208 O GLU A 74 -6.783 20.213 2.035 1.00 0.00 O ATOM 1209 CB GLU A 74 -5.849 20.973 -1.438 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.196 21.666 -1.691 1.00 0.00 C ATOM 1211 CD GLU A 74 -7.538 21.724 -3.176 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.014 22.639 -3.846 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.328 20.857 -3.610 1.00 0.00 O ATOM 0 H GLU A 74 -3.583 21.277 0.460 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.730 21.856 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.048 21.537 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.854 19.981 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.984 21.133 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.165 22.678 -1.286 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.199 19.012 0.170 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.168 18.087 0.742 1.00 0.00 C ATOM 1222 C LYS A 75 -7.868 16.648 0.298 1.00 0.00 C ATOM 1223 O LYS A 75 -8.757 15.798 0.297 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.585 18.558 0.375 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.866 18.517 -1.135 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.172 19.255 -1.451 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.481 19.187 -2.950 1.00 0.00 C ATOM 1228 NZ LYS A 75 -12.675 19.978 -3.292 1.00 0.00 N ATOM 0 H LYS A 75 -7.030 18.843 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.096 18.082 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.313 17.932 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.727 19.576 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.040 18.976 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.934 17.483 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.992 18.813 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.093 20.296 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.625 19.555 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.635 18.149 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.855 19.910 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.496 19.610 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.518 20.973 -3.034 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.606 16.378 -0.060 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.131 15.068 -0.483 1.00 0.00 C ATOM 1244 C ASP A 76 -6.086 14.116 0.714 1.00 0.00 C ATOM 1245 O ASP A 76 -5.270 14.306 1.616 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.720 15.182 -1.083 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.663 15.821 -2.468 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.569 16.620 -2.789 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.695 15.491 -3.189 1.00 0.00 O ATOM 0 H ASP A 76 -5.873 17.088 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.816 14.680 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.098 15.764 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.283 14.185 -1.140 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.923 13.071 0.689 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.813 11.924 1.581 1.00 0.00 C ATOM 1256 C GLU A 77 -6.251 10.777 0.749 1.00 0.00 C ATOM 1257 O GLU A 77 -6.912 10.294 -0.170 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.172 11.578 2.206 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.014 10.457 3.245 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.308 10.180 4.006 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.359 10.060 3.340 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.230 10.043 5.248 1.00 0.00 O ATOM 0 H GLU A 77 -7.705 13.004 0.037 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.151 12.137 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.598 12.463 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.868 11.266 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.688 9.545 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.231 10.729 3.953 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.009 10.381 1.039 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.287 9.416 0.234 1.00 0.00 C ATOM 1271 C TYR A 78 -4.820 8.007 0.500 1.00 0.00 C ATOM 1272 O TYR A 78 -5.422 7.733 1.538 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.774 9.528 0.476 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.079 10.724 -0.151 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.461 12.040 0.175 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.959 10.517 -0.976 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.777 13.132 -0.384 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.275 11.614 -1.532 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.670 12.923 -1.222 1.00 0.00 C ATOM 1280 OH TYR A 78 0.015 13.983 -1.742 1.00 0.00 O ATOM 0 H TYR A 78 -4.483 10.726 1.842 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.452 9.633 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.601 9.557 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.299 8.621 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.282 12.210 0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.622 9.512 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.104 14.138 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.557 11.447 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 78 0.056 14.703 -1.079 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.616 7.127 -0.481 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.141 5.774 -0.510 1.00 0.00 C ATOM 1292 C ALA A 79 -4.175 4.841 -1.233 1.00 0.00 C ATOM 1293 O ALA A 79 -3.223 5.293 -1.869 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.513 5.779 -1.194 1.00 0.00 C ATOM 0 H ALA A 79 -4.059 7.352 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.254 5.407 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.911 4.765 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.194 6.423 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.410 6.153 -2.213 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.436 3.533 -1.113 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.616 2.468 -1.670 1.00 0.00 C ATOM 1302 C CYS A 80 -4.482 1.603 -2.581 1.00 0.00 C ATOM 1303 O CYS A 80 -5.524 1.114 -2.147 1.00 0.00 O ATOM 1304 CB CYS A 80 -3.053 1.591 -0.541 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.285 2.447 0.858 1.00 0.00 S ATOM 0 H CYS A 80 -5.251 3.184 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.791 2.906 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.864 0.972 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.314 0.916 -0.973 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.028 1.353 -3.813 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.518 0.219 -4.584 1.00 0.00 C ATOM 1312 C ARG A 81 -4.063 -1.043 -3.852 1.00 0.00 C ATOM 1313 O ARG A 81 -2.918 -1.104 -3.417 1.00 0.00 O ATOM 1314 CB ARG A 81 -3.927 0.244 -5.999 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.417 -0.927 -6.869 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.515 -1.159 -8.085 1.00 0.00 C ATOM 1317 NE ARG A 81 -3.369 0.037 -8.921 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.276 0.527 -9.780 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -5.487 -0.034 -9.911 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.945 1.591 -10.521 1.00 0.00 N ATOM 0 H ARG A 81 -3.327 1.919 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.604 0.252 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.191 1.185 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.839 0.213 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.453 -1.835 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.434 -0.727 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.531 -1.482 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.926 -1.970 -8.687 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.490 0.548 -8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.734 -0.850 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.161 0.355 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.020 2.011 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.617 1.982 -11.181 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.929 -2.049 -3.721 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.539 -3.359 -3.242 1.00 0.00 C ATOM 1336 C VAL A 82 -5.147 -4.380 -4.200 1.00 0.00 C ATOM 1337 O VAL A 82 -6.355 -4.600 -4.173 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.997 -3.543 -1.787 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.507 -4.900 -1.280 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.443 -2.432 -0.882 1.00 0.00 C ATOM 0 H VAL A 82 -5.921 -1.970 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.457 -3.489 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.085 -3.494 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.827 -5.040 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.925 -5.693 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.419 -4.936 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.785 -2.591 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.353 -2.452 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.797 -1.464 -1.236 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.313 -4.975 -5.064 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.745 -5.967 -6.038 1.00 0.00 C ATOM 1352 C ASN A 83 -3.715 -7.093 -6.116 1.00 0.00 C ATOM 1353 O ASN A 83 -2.862 -7.085 -7.000 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.942 -5.303 -7.409 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.702 -6.215 -8.375 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.656 -6.885 -7.984 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.292 -6.245 -9.644 1.00 0.00 N ATOM 0 H ASN A 83 -3.314 -4.775 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.699 -6.394 -5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.488 -4.368 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.971 -5.051 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.774 -6.836 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.497 -5.677 -9.937 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.797 -8.071 -5.205 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.044 -9.314 -5.320 1.00 0.00 C ATOM 1366 C HIS A 84 -3.751 -10.161 -6.387 1.00 0.00 C ATOM 1367 O HIS A 84 -4.930 -9.937 -6.666 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.051 -10.026 -3.965 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.326 -11.344 -3.967 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.034 -12.541 -3.923 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.986 -11.625 -4.030 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.106 -13.495 -3.913 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.860 -12.999 -4.000 1.00 0.00 N ATOM 0 H HIS A 84 -4.386 -8.018 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.006 -9.140 -5.604 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.596 -9.373 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.084 -10.191 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.181 -10.907 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.329 -14.549 -3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.008 -13.533 -4.037 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.063 -11.142 -6.978 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.661 -11.994 -8.002 1.00 0.00 C ATOM 1383 C VAL A 85 -4.957 -12.659 -7.518 1.00 0.00 C ATOM 1384 O VAL A 85 -5.913 -12.764 -8.286 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.633 -13.000 -8.551 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.198 -14.062 -7.534 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -3.163 -13.687 -9.816 1.00 0.00 C ATOM 0 H VAL A 85 -2.091 -11.364 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.956 -11.358 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.748 -12.409 -8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.474 -14.733 -7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.743 -13.575 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.068 -14.634 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.419 -14.393 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.084 -14.220 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.362 -12.937 -10.581 1.00 0.00 H new ATOM 1397 N THR A 86 -5.011 -13.076 -6.245 1.00 0.00 N ATOM 1398 CA THR A 86 -6.178 -13.757 -5.698 1.00 0.00 C ATOM 1399 C THR A 86 -7.366 -12.817 -5.462 1.00 0.00 C ATOM 1400 O THR A 86 -8.497 -13.296 -5.399 1.00 0.00 O ATOM 1401 CB THR A 86 -5.806 -14.593 -4.468 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.692 -15.688 -4.359 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.846 -13.806 -3.160 1.00 0.00 C ATOM 0 H THR A 86 -4.251 -12.949 -5.576 1.00 0.00 H new ATOM 0 HA THR A 86 -6.529 -14.456 -6.457 1.00 0.00 H new ATOM 0 HB THR A 86 -4.777 -14.921 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.592 -15.408 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.572 -14.461 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.143 -12.975 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.852 -13.420 -2.999 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.137 -11.498 -5.359 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.230 -10.534 -5.364 1.00 0.00 C ATOM 1413 C LEU A 87 -8.841 -10.479 -6.759 1.00 0.00 C ATOM 1414 O LEU A 87 -10.040 -10.710 -6.907 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.745 -9.133 -4.959 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.899 -8.833 -3.464 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.175 -9.852 -2.578 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.348 -7.431 -3.184 1.00 0.00 C ATOM 0 H LEU A 87 -6.209 -11.085 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.976 -10.855 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.696 -9.028 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.300 -8.388 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.960 -8.895 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.318 -9.590 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.580 -10.847 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.110 -9.845 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.452 -7.205 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.295 -7.392 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.905 -6.698 -3.767 1.00 0.00 H new ATOM 1430 N SER A 88 -8.030 -10.091 -7.755 1.00 0.00 N ATOM 1431 CA SER A 88 -8.449 -9.724 -9.107 1.00 0.00 C ATOM 1432 C SER A 88 -9.168 -8.369 -9.137 1.00 0.00 C ATOM 1433 O SER A 88 -8.918 -7.570 -10.037 1.00 0.00 O ATOM 1434 CB SER A 88 -9.271 -10.824 -9.795 1.00 0.00 C ATOM 1435 OG SER A 88 -8.569 -12.050 -9.781 1.00 0.00 O ATOM 0 H SER A 88 -7.020 -10.023 -7.629 1.00 0.00 H new ATOM 0 HA SER A 88 -7.534 -9.617 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.229 -10.941 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.488 -10.534 -10.823 1.00 0.00 H new ATOM 0 HG SER A 88 -7.701 -11.925 -9.344 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.045 -8.105 -8.159 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.721 -6.830 -7.988 1.00 0.00 C ATOM 1443 C GLN A 89 -9.769 -5.877 -7.260 1.00 0.00 C ATOM 1444 O GLN A 89 -9.410 -6.158 -6.117 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.001 -7.025 -7.161 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.998 -7.998 -7.805 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.485 -7.528 -9.174 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.665 -6.333 -9.401 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.701 -8.469 -10.095 1.00 0.00 N ATOM 0 H GLN A 89 -10.304 -8.794 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.996 -6.416 -8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.733 -7.393 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.486 -6.059 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.529 -8.976 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.855 -8.124 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.540 -9.451 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.027 -8.207 -11.025 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.344 -4.764 -7.878 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.391 -3.857 -7.268 1.00 0.00 C ATOM 1460 C PRO A 90 -9.088 -3.042 -6.178 1.00 0.00 C ATOM 1461 O PRO A 90 -9.824 -2.100 -6.464 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.859 -3.002 -8.422 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.040 -2.945 -9.391 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.704 -4.312 -9.213 1.00 0.00 C ATOM 0 HA PRO A 90 -7.563 -4.361 -6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.567 -2.007 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.981 -3.452 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.722 -2.131 -9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.711 -2.788 -10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.786 -4.237 -9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.357 -5.016 -9.970 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.862 -3.433 -4.920 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.471 -2.826 -3.751 1.00 0.00 C ATOM 1474 C LYS A 91 -8.706 -1.548 -3.415 1.00 0.00 C ATOM 1475 O LYS A 91 -7.656 -1.612 -2.779 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.426 -3.831 -2.587 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.401 -5.002 -2.777 1.00 0.00 C ATOM 1478 CD LYS A 91 -11.682 -4.852 -1.944 1.00 0.00 C ATOM 1479 CE LYS A 91 -12.500 -3.609 -2.312 1.00 0.00 C ATOM 1480 NZ LYS A 91 -13.756 -3.549 -1.543 1.00 0.00 N ATOM 0 H LYS A 91 -8.232 -4.202 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.513 -2.569 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.413 -4.220 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.662 -3.314 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.666 -5.080 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.902 -5.932 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.301 -5.739 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.417 -4.805 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.910 -2.713 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.724 -3.621 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.288 -2.697 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.328 -4.394 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.539 -3.514 -0.526 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.226 -0.389 -3.842 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.586 0.898 -3.613 1.00 0.00 C ATOM 1496 C ILE A 92 -8.942 1.397 -2.206 1.00 0.00 C ATOM 1497 O ILE A 92 -9.572 2.441 -2.043 1.00 0.00 O ATOM 1498 CB ILE A 92 -8.949 1.910 -4.721 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.017 1.309 -6.138 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -7.933 3.061 -4.694 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.741 0.590 -6.581 1.00 0.00 C ATOM 0 H ILE A 92 -10.105 -0.326 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.503 0.783 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.958 2.260 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.849 0.607 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.235 2.107 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.180 3.782 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.965 3.552 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.932 2.667 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.876 0.198 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.907 1.291 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.530 -0.232 -5.897 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.556 0.628 -1.182 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.869 0.919 0.209 1.00 0.00 C ATOM 1515 C VAL A 93 -7.942 2.026 0.704 1.00 0.00 C ATOM 1516 O VAL A 93 -6.748 2.026 0.401 1.00 0.00 O ATOM 1517 CB VAL A 93 -8.774 -0.369 1.045 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -8.872 -0.087 2.550 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -9.919 -1.312 0.656 1.00 0.00 C ATOM 0 H VAL A 93 -8.010 -0.225 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.892 1.280 0.311 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.803 -0.821 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.800 -1.025 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.059 0.574 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.827 0.391 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.854 -2.226 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.874 -0.823 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.843 -1.559 -0.403 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.505 2.994 1.439 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.762 4.173 1.843 1.00 0.00 C ATOM 1531 C LYS A 94 -6.811 3.886 3.003 1.00 0.00 C ATOM 1532 O LYS A 94 -6.873 2.833 3.636 1.00 0.00 O ATOM 1533 CB LYS A 94 -8.696 5.360 2.125 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.432 5.283 3.470 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.098 6.634 3.755 1.00 0.00 C ATOM 1536 CE LYS A 94 -10.723 6.660 5.153 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.226 8.003 5.492 1.00 0.00 N ATOM 0 H LYS A 94 -9.473 2.975 1.761 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.132 4.462 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.113 6.280 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.433 5.425 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.182 4.492 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.733 5.033 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.360 7.431 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.866 6.829 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.541 5.941 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.982 6.350 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.804 7.950 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.423 8.644 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.807 8.364 4.708 1.00 0.00 H new ATOM 1551 N TRP A 95 -5.959 4.872 3.291 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.146 4.936 4.491 1.00 0.00 C ATOM 1553 C TRP A 95 -6.059 5.375 5.644 1.00 0.00 C ATOM 1554 O TRP A 95 -6.779 4.545 6.196 1.00 0.00 O ATOM 1555 CB TRP A 95 -3.946 5.854 4.181 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.221 6.562 5.288 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.893 6.076 6.505 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -2.856 7.970 5.312 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.381 7.096 7.290 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.395 8.300 6.617 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -2.917 9.014 4.367 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.071 9.615 6.983 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.576 10.330 4.715 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.201 10.638 6.032 1.00 0.00 C ATOM 0 H TRP A 95 -5.817 5.669 2.671 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.717 3.985 4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.210 5.252 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.296 6.617 3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.012 5.049 6.818 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.038 6.973 8.243 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.232 8.797 3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.727 9.836 7.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.602 11.108 3.967 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.012 11.663 6.313 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.032 6.665 5.986 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.608 7.298 7.166 1.00 0.00 C ATOM 1577 C ASP A 96 -6.069 8.736 7.155 1.00 0.00 C ATOM 1578 O ASP A 96 -5.395 9.134 6.206 1.00 0.00 O ATOM 1579 CB ASP A 96 -6.172 6.532 8.440 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.754 7.061 9.751 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.832 7.692 9.696 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -6.091 6.843 10.788 1.00 0.00 O ATOM 0 H ASP A 96 -5.565 7.349 5.390 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.698 7.290 7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.458 5.486 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.084 6.560 8.507 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.307 9.502 8.219 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.496 10.653 8.575 1.00 0.00 C ATOM 1589 C ARG A 97 -5.754 10.973 10.045 1.00 0.00 C ATOM 1590 O ARG A 97 -4.845 10.904 10.870 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.800 11.839 7.647 1.00 0.00 C ATOM 1592 CG ARG A 97 -4.922 13.051 7.969 1.00 0.00 C ATOM 1593 CD ARG A 97 -5.187 14.152 6.940 1.00 0.00 C ATOM 1594 NE ARG A 97 -4.409 15.356 7.243 1.00 0.00 N ATOM 1595 CZ ARG A 97 -4.411 16.470 6.494 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -5.149 16.551 5.377 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -3.648 17.507 6.856 1.00 0.00 N ATOM 0 H ARG A 97 -7.080 9.334 8.863 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.436 10.436 8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.641 11.540 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.850 12.115 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.139 13.415 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.870 12.767 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.932 13.792 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.249 14.395 6.929 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.826 15.347 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.721 15.758 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.139 17.405 4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.071 17.447 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.643 18.358 6.293 1.00 0.00 H new ATOM 1611 N ASP A 98 -7.010 11.307 10.351 1.00 0.00 N ATOM 1612 CA ASP A 98 -7.516 11.548 11.692 1.00 0.00 C ATOM 1613 C ASP A 98 -9.024 11.277 11.679 1.00 0.00 C ATOM 1614 O ASP A 98 -9.826 12.186 11.887 1.00 0.00 O ATOM 1615 CB ASP A 98 -7.167 12.988 12.100 1.00 0.00 C ATOM 1616 CG ASP A 98 -7.580 13.324 13.532 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -7.380 12.456 14.410 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -8.073 14.456 13.727 1.00 0.00 O ATOM 0 H ASP A 98 -7.728 11.420 9.635 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.062 10.888 12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.093 13.139 11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.656 13.681 11.415 1.00 0.00 H new ATOM 1623 N MET A 99 -9.398 10.025 11.381 1.00 0.00 N ATOM 1624 CA MET A 99 -10.779 9.586 11.219 1.00 0.00 C ATOM 1625 C MET A 99 -11.052 8.374 12.111 1.00 0.00 C ATOM 1626 O MET A 99 -12.194 8.286 12.612 1.00 0.00 O ATOM 1627 CB MET A 99 -11.043 9.229 9.748 1.00 0.00 C ATOM 1628 CG MET A 99 -10.835 10.406 8.785 1.00 0.00 C ATOM 1629 SD MET A 99 -11.825 11.897 9.094 1.00 0.00 S ATOM 1630 CE MET A 99 -13.499 11.200 9.091 1.00 0.00 C ATOM 1631 OXT MET A 99 -10.125 7.549 12.266 1.00 0.00 O ATOM 0 H MET A 99 -8.723 9.272 11.243 1.00 0.00 H new ATOM 0 HA MET A 99 -11.447 10.396 11.513 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.384 8.411 9.457 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.066 8.865 9.649 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.782 10.685 8.811 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.048 10.060 7.774 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.230 12.009 9.108 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.642 10.601 8.192 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.633 10.571 9.971 1.00 0.00 H new TER 1641 MET A 99