USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -163:sc= -0.0184 (180deg=-0.5) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.427 X(o=-0.85,f=-0.7) USER MOD Set 1.3: A 80 MET CE :methyl 166:sc= -0.403 (180deg=-0.989) USER MOD Set 2.1: A 69 SER OG : rot -87:sc= 0.653 USER MOD Set 2.2: A 71 THR OG1 : rot -49:sc= 0.188 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 6 LYS NZ :NH3+ -131:sc= 0.67 (180deg=-0.639) USER MOD Single : A 11 GLN : amide:sc= -0.819 K(o=-0.82,f=-3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 16 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= -0.0111 (180deg=-0.129) USER MOD Single : A 18 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 32:sc= 0.0916 USER MOD Single : A 37 SER OG : rot -175:sc= -0.518 USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.0529 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -150:sc= -0.356 (180deg=-1.2) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 58 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.13) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 147:sc= -0.916 (180deg=-3.49!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.339 (180deg=-0.814) USER MOD Single : A 89 SER OG : rot -55:sc= 0.423 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.094 6.780 8.376 1.00 0.00 N ATOM 2 CA MET A 1 -9.807 6.327 8.985 1.00 0.00 C ATOM 3 C MET A 1 -8.698 6.367 7.933 1.00 0.00 C ATOM 4 O MET A 1 -7.727 7.112 8.072 1.00 0.00 O ATOM 5 CB MET A 1 -9.963 4.897 9.519 1.00 0.00 C ATOM 6 CG MET A 1 -10.595 4.936 10.913 1.00 0.00 C ATOM 7 SD MET A 1 -9.335 5.379 12.137 1.00 0.00 S ATOM 8 CE MET A 1 -10.441 6.192 13.316 1.00 0.00 C ATOM 0 H1 MET A 1 -11.846 6.752 9.093 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.988 7.753 8.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.345 6.151 7.587 1.00 0.00 H new ATOM 0 HA MET A 1 -9.545 6.991 9.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.585 4.311 8.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.991 4.406 9.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.409 5.661 10.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.027 3.965 11.155 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.864 6.551 14.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.934 7.035 12.831 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.192 5.481 13.660 1.00 0.00 H new ATOM 20 N ASN A 2 -8.857 5.559 6.881 1.00 0.00 N ATOM 21 CA ASN A 2 -7.862 5.510 5.807 1.00 0.00 C ATOM 22 C ASN A 2 -8.505 5.875 4.468 1.00 0.00 C ATOM 23 O ASN A 2 -8.325 5.185 3.460 1.00 0.00 O ATOM 24 CB ASN A 2 -7.240 4.109 5.714 1.00 0.00 C ATOM 25 CG ASN A 2 -6.514 3.780 7.018 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.679 2.691 7.568 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.712 4.664 7.554 1.00 0.00 N ATOM 0 H ASN A 2 -9.655 4.937 6.751 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.078 6.232 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.016 3.368 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.543 4.065 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.226 4.450 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.573 5.567 7.101 1.00 0.00 H new ATOM 34 N ASP A 3 -9.255 6.981 4.470 1.00 0.00 N ATOM 35 CA ASP A 3 -9.925 7.447 3.255 1.00 0.00 C ATOM 36 C ASP A 3 -9.000 8.329 2.408 1.00 0.00 C ATOM 37 O ASP A 3 -9.268 8.553 1.230 1.00 0.00 O ATOM 38 CB ASP A 3 -11.187 8.242 3.604 1.00 0.00 C ATOM 39 CG ASP A 3 -12.150 8.213 2.417 1.00 0.00 C ATOM 40 OD1 ASP A 3 -12.895 7.253 2.306 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.128 9.152 1.636 1.00 0.00 O ATOM 0 H ASP A 3 -9.412 7.565 5.292 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.195 6.562 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.666 7.816 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.925 9.271 3.849 1.00 0.00 H new ATOM 46 N ILE A 4 -7.917 8.832 3.017 1.00 0.00 N ATOM 47 CA ILE A 4 -6.965 9.695 2.298 1.00 0.00 C ATOM 48 C ILE A 4 -6.496 9.049 0.985 1.00 0.00 C ATOM 49 O ILE A 4 -6.222 9.746 0.006 1.00 0.00 O ATOM 50 CB ILE A 4 -5.734 10.035 3.166 1.00 0.00 C ATOM 51 CG1 ILE A 4 -4.890 8.772 3.455 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.184 10.683 4.483 1.00 0.00 C ATOM 53 CD1 ILE A 4 -5.563 7.880 4.507 1.00 0.00 C ATOM 0 H ILE A 4 -7.679 8.660 3.994 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.499 10.617 2.068 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.111 10.739 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.749 8.208 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.900 9.066 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.310 10.920 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.735 11.598 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.827 9.992 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.945 7.001 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.680 8.438 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.542 7.567 4.146 1.00 0.00 H new ATOM 65 N TYR A 5 -6.416 7.714 0.971 1.00 0.00 N ATOM 66 CA TYR A 5 -5.987 6.987 -0.230 1.00 0.00 C ATOM 67 C TYR A 5 -7.141 6.867 -1.228 1.00 0.00 C ATOM 68 O TYR A 5 -6.960 7.073 -2.431 1.00 0.00 O ATOM 69 CB TYR A 5 -5.495 5.580 0.132 1.00 0.00 C ATOM 70 CG TYR A 5 -4.328 5.679 1.088 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.046 5.975 0.606 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.532 5.481 2.459 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.969 6.069 1.495 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.455 5.575 3.346 1.00 0.00 C ATOM 75 CZ TYR A 5 -2.175 5.870 2.867 1.00 0.00 C ATOM 76 OH TYR A 5 -1.116 5.963 3.745 1.00 0.00 O ATOM 0 H TYR A 5 -6.640 7.119 1.769 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.171 7.550 -0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.303 5.008 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.195 5.046 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.889 6.131 -0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.521 5.256 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.980 6.295 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.612 5.419 4.403 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.432 5.798 4.658 1.00 0.00 H new ATOM 86 N LYS A 6 -8.331 6.535 -0.713 1.00 0.00 N ATOM 87 CA LYS A 6 -9.521 6.391 -1.559 1.00 0.00 C ATOM 88 C LYS A 6 -10.092 7.755 -1.981 1.00 0.00 C ATOM 89 O LYS A 6 -10.994 7.822 -2.818 1.00 0.00 O ATOM 90 CB LYS A 6 -10.607 5.606 -0.815 1.00 0.00 C ATOM 91 CG LYS A 6 -10.364 4.103 -0.994 1.00 0.00 C ATOM 92 CD LYS A 6 -11.181 3.320 0.039 1.00 0.00 C ATOM 93 CE LYS A 6 -10.296 2.971 1.241 1.00 0.00 C ATOM 94 NZ LYS A 6 -10.714 3.779 2.423 1.00 0.00 N ATOM 0 H LYS A 6 -8.495 6.362 0.279 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.215 5.852 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.596 5.863 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.592 5.874 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.645 3.797 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.303 3.880 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.036 3.912 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.576 2.409 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.377 1.908 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.250 3.168 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.877 4.219 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.377 4.520 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.179 3.162 3.119 1.00 0.00 H new ATOM 108 N ALA A 7 -9.563 8.840 -1.399 1.00 0.00 N ATOM 109 CA ALA A 7 -10.031 10.187 -1.728 1.00 0.00 C ATOM 110 C ALA A 7 -9.533 10.621 -3.108 1.00 0.00 C ATOM 111 O ALA A 7 -10.200 11.386 -3.803 1.00 0.00 O ATOM 112 CB ALA A 7 -9.541 11.194 -0.684 1.00 0.00 C ATOM 0 H ALA A 7 -8.817 8.809 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.121 10.163 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.898 12.191 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.924 10.916 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.451 11.194 -0.661 1.00 0.00 H new ATOM 118 N ALA A 8 -8.354 10.126 -3.497 1.00 0.00 N ATOM 119 CA ALA A 8 -7.777 10.472 -4.798 1.00 0.00 C ATOM 120 C ALA A 8 -8.378 9.612 -5.908 1.00 0.00 C ATOM 121 O ALA A 8 -8.698 10.113 -6.986 1.00 0.00 O ATOM 122 CB ALA A 8 -6.262 10.268 -4.782 1.00 0.00 C ATOM 0 H ALA A 8 -7.786 9.491 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.006 11.520 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.849 10.530 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.817 10.904 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.038 9.224 -4.561 1.00 0.00 H new ATOM 128 N VAL A 9 -8.524 8.311 -5.634 1.00 0.00 N ATOM 129 CA VAL A 9 -9.087 7.383 -6.622 1.00 0.00 C ATOM 130 C VAL A 9 -10.551 7.725 -6.942 1.00 0.00 C ATOM 131 O VAL A 9 -11.041 7.424 -8.031 1.00 0.00 O ATOM 132 CB VAL A 9 -8.989 5.932 -6.119 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.968 5.703 -4.963 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.319 4.967 -7.261 1.00 0.00 C ATOM 0 H VAL A 9 -8.264 7.880 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.503 7.485 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.973 5.751 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.888 4.672 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.728 6.380 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.985 5.893 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.249 3.940 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.331 5.158 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.612 5.115 -8.078 1.00 0.00 H new ATOM 144 N GLU A 10 -11.243 8.355 -5.986 1.00 0.00 N ATOM 145 CA GLU A 10 -12.641 8.729 -6.193 1.00 0.00 C ATOM 146 C GLU A 10 -12.767 10.034 -6.990 1.00 0.00 C ATOM 147 O GLU A 10 -13.835 10.328 -7.533 1.00 0.00 O ATOM 148 CB GLU A 10 -13.363 8.874 -4.848 1.00 0.00 C ATOM 149 CG GLU A 10 -12.821 10.084 -4.080 1.00 0.00 C ATOM 150 CD GLU A 10 -13.683 10.336 -2.847 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.455 9.680 -1.843 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.557 11.183 -2.924 1.00 0.00 O ATOM 0 H GLU A 10 -10.862 8.612 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.108 7.931 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.434 8.990 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.228 7.969 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.787 9.906 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.821 10.965 -4.722 1.00 0.00 H new ATOM 159 N GLN A 11 -11.680 10.817 -7.061 1.00 0.00 N ATOM 160 CA GLN A 11 -11.719 12.082 -7.804 1.00 0.00 C ATOM 161 C GLN A 11 -10.528 12.215 -8.767 1.00 0.00 C ATOM 162 O GLN A 11 -10.096 13.327 -9.083 1.00 0.00 O ATOM 163 CB GLN A 11 -11.734 13.275 -6.836 1.00 0.00 C ATOM 164 CG GLN A 11 -10.415 13.345 -6.053 1.00 0.00 C ATOM 165 CD GLN A 11 -10.637 14.059 -4.719 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.757 14.114 -4.208 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.620 14.610 -4.111 1.00 0.00 N ATOM 0 H GLN A 11 -10.784 10.603 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.635 12.081 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.884 14.201 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.571 13.180 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.033 12.339 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.663 13.875 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.691 14.567 -4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.755 15.083 -3.217 1.00 0.00 H new ATOM 176 N LEU A 12 -10.011 11.077 -9.244 1.00 0.00 N ATOM 177 CA LEU A 12 -8.881 11.102 -10.183 1.00 0.00 C ATOM 178 C LEU A 12 -9.375 11.352 -11.612 1.00 0.00 C ATOM 179 O LEU A 12 -10.577 11.477 -11.857 1.00 0.00 O ATOM 180 CB LEU A 12 -8.081 9.789 -10.142 1.00 0.00 C ATOM 181 CG LEU A 12 -8.888 8.503 -9.928 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.009 8.405 -10.965 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.955 7.297 -10.071 1.00 0.00 C ATOM 0 H LEU A 12 -10.347 10.145 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.224 11.916 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.531 9.695 -11.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.342 9.865 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.329 8.517 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.575 7.488 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.673 9.264 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.578 8.394 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.522 6.378 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.516 7.293 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.162 7.360 -9.326 1.00 0.00 H new ATOM 195 N THR A 13 -8.428 11.426 -12.553 1.00 0.00 N ATOM 196 CA THR A 13 -8.769 11.666 -13.958 1.00 0.00 C ATOM 197 C THR A 13 -8.824 10.356 -14.738 1.00 0.00 C ATOM 198 O THR A 13 -8.367 9.311 -14.265 1.00 0.00 O ATOM 199 CB THR A 13 -7.732 12.584 -14.628 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.518 12.568 -13.889 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.273 14.012 -14.698 1.00 0.00 C ATOM 0 H THR A 13 -7.430 11.324 -12.370 1.00 0.00 H new ATOM 0 HA THR A 13 -9.748 12.145 -13.971 1.00 0.00 H new ATOM 0 HB THR A 13 -7.539 12.222 -15.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.863 13.153 -14.323 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.535 14.658 -15.173 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.194 14.024 -15.281 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.476 14.374 -13.690 1.00 0.00 H new ATOM 209 N ASP A 14 -9.370 10.435 -15.952 1.00 0.00 N ATOM 210 CA ASP A 14 -9.466 9.263 -16.823 1.00 0.00 C ATOM 211 C ASP A 14 -8.073 8.866 -17.315 1.00 0.00 C ATOM 212 O ASP A 14 -7.790 7.685 -17.520 1.00 0.00 O ATOM 213 CB ASP A 14 -10.359 9.555 -18.033 1.00 0.00 C ATOM 214 CG ASP A 14 -11.811 9.683 -17.579 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.468 8.661 -17.462 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.245 10.802 -17.355 1.00 0.00 O ATOM 0 H ASP A 14 -9.750 11.292 -16.353 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.904 8.447 -16.248 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.038 10.475 -18.521 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.266 8.755 -18.768 1.00 0.00 H new ATOM 221 N GLU A 15 -7.203 9.871 -17.486 1.00 0.00 N ATOM 222 CA GLU A 15 -5.831 9.623 -17.938 1.00 0.00 C ATOM 223 C GLU A 15 -5.031 8.912 -16.844 1.00 0.00 C ATOM 224 O GLU A 15 -4.151 8.102 -17.135 1.00 0.00 O ATOM 225 CB GLU A 15 -5.131 10.938 -18.295 1.00 0.00 C ATOM 226 CG GLU A 15 -5.458 11.313 -19.743 1.00 0.00 C ATOM 227 CD GLU A 15 -4.488 12.386 -20.229 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.437 12.024 -20.731 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.810 13.554 -20.092 1.00 0.00 O ATOM 0 H GLU A 15 -7.424 10.853 -17.320 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.880 8.991 -18.825 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.456 11.730 -17.621 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.053 10.835 -18.169 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.390 10.432 -20.381 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.483 11.678 -19.812 1.00 0.00 H new ATOM 236 N GLN A 16 -5.359 9.217 -15.581 1.00 0.00 N ATOM 237 CA GLN A 16 -4.680 8.595 -14.443 1.00 0.00 C ATOM 238 C GLN A 16 -4.983 7.097 -14.411 1.00 0.00 C ATOM 239 O GLN A 16 -4.084 6.273 -14.226 1.00 0.00 O ATOM 240 CB GLN A 16 -5.144 9.241 -13.128 1.00 0.00 C ATOM 241 CG GLN A 16 -4.485 8.536 -11.937 1.00 0.00 C ATOM 242 CD GLN A 16 -3.909 9.574 -10.978 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.707 9.587 -10.718 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.702 10.455 -10.430 1.00 0.00 N ATOM 0 H GLN A 16 -6.085 9.886 -15.326 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.606 8.745 -14.554 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.886 10.300 -13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.229 9.177 -13.045 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.216 7.915 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.694 7.872 -12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.699 10.446 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.324 11.152 -9.788 1.00 0.00 H new ATOM 253 N LYS A 17 -6.261 6.756 -14.613 1.00 0.00 N ATOM 254 CA LYS A 17 -6.682 5.353 -14.626 1.00 0.00 C ATOM 255 C LYS A 17 -6.088 4.642 -15.840 1.00 0.00 C ATOM 256 O LYS A 17 -5.597 3.518 -15.738 1.00 0.00 O ATOM 257 CB LYS A 17 -8.211 5.237 -14.691 1.00 0.00 C ATOM 258 CG LYS A 17 -8.844 5.937 -13.483 1.00 0.00 C ATOM 259 CD LYS A 17 -10.150 6.613 -13.913 1.00 0.00 C ATOM 260 CE LYS A 17 -11.321 5.641 -13.733 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.009 5.915 -12.437 1.00 0.00 N ATOM 0 H LYS A 17 -7.014 7.426 -14.768 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.327 4.890 -13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.579 5.685 -15.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.504 4.187 -14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.040 5.214 -12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.155 6.677 -13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.317 7.512 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.082 6.926 -14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.025 5.748 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.959 4.613 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.871 5.336 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.373 5.678 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.264 6.922 -12.385 1.00 0.00 H new ATOM 275 N ASN A 18 -6.140 5.320 -16.993 1.00 0.00 N ATOM 276 CA ASN A 18 -5.607 4.760 -18.240 1.00 0.00 C ATOM 277 C ASN A 18 -4.090 4.568 -18.159 1.00 0.00 C ATOM 278 O ASN A 18 -3.539 3.673 -18.802 1.00 0.00 O ATOM 279 CB ASN A 18 -5.926 5.684 -19.422 1.00 0.00 C ATOM 280 CG ASN A 18 -7.396 5.536 -19.820 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.246 5.202 -18.991 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.752 5.771 -21.055 1.00 0.00 N ATOM 0 H ASN A 18 -6.543 6.252 -17.088 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.081 3.790 -18.389 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.716 6.719 -19.152 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.285 5.439 -20.269 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.730 5.678 -21.330 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.052 6.047 -21.744 1.00 0.00 H new ATOM 289 N GLU A 19 -3.423 5.415 -17.365 1.00 0.00 N ATOM 290 CA GLU A 19 -1.968 5.331 -17.204 1.00 0.00 C ATOM 291 C GLU A 19 -1.558 3.932 -16.741 1.00 0.00 C ATOM 292 O GLU A 19 -0.666 3.310 -17.321 1.00 0.00 O ATOM 293 CB GLU A 19 -1.482 6.360 -16.175 1.00 0.00 C ATOM 294 CG GLU A 19 0.045 6.451 -16.221 1.00 0.00 C ATOM 295 CD GLU A 19 0.503 7.719 -15.506 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.730 7.652 -14.309 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.622 8.738 -16.167 1.00 0.00 O ATOM 0 H GLU A 19 -3.865 6.161 -16.828 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.511 5.540 -18.171 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.921 7.335 -16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.809 6.072 -15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.486 5.574 -15.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.388 6.460 -17.256 1.00 0.00 H new ATOM 304 N PHE A 20 -2.222 3.450 -15.688 1.00 0.00 N ATOM 305 CA PHE A 20 -1.928 2.125 -15.143 1.00 0.00 C ATOM 306 C PHE A 20 -2.672 1.036 -15.917 1.00 0.00 C ATOM 307 O PHE A 20 -2.107 -0.012 -16.222 1.00 0.00 O ATOM 308 CB PHE A 20 -2.346 2.049 -13.676 1.00 0.00 C ATOM 309 CG PHE A 20 -1.273 2.654 -12.801 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.196 1.871 -12.362 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.365 3.994 -12.416 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.785 2.430 -11.539 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.381 4.555 -11.597 1.00 0.00 C ATOM 314 CZ PHE A 20 0.694 3.774 -11.157 1.00 0.00 C ATOM 0 H PHE A 20 -2.962 3.954 -15.199 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.854 1.964 -15.234 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.287 2.578 -13.530 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.517 1.011 -13.391 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.125 0.835 -12.660 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.196 4.596 -12.751 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.613 1.826 -11.198 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.450 5.592 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.453 4.208 -10.523 1.00 0.00 H new ATOM 324 N LYS A 21 -3.952 1.293 -16.219 1.00 0.00 N ATOM 325 CA LYS A 21 -4.777 0.321 -16.945 1.00 0.00 C ATOM 326 C LYS A 21 -4.137 -0.078 -18.279 1.00 0.00 C ATOM 327 O LYS A 21 -4.324 -1.201 -18.745 1.00 0.00 O ATOM 328 CB LYS A 21 -6.178 0.884 -17.205 1.00 0.00 C ATOM 329 CG LYS A 21 -7.136 -0.258 -17.560 1.00 0.00 C ATOM 330 CD LYS A 21 -7.556 -0.988 -16.283 1.00 0.00 C ATOM 331 CE LYS A 21 -8.578 -2.075 -16.626 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.077 -2.704 -15.370 1.00 0.00 N ATOM 0 H LYS A 21 -4.434 2.158 -15.974 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.853 -0.566 -16.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.538 1.412 -16.322 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.144 1.609 -18.018 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.014 0.136 -18.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.652 -0.953 -18.246 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.684 -1.433 -15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.986 -0.282 -15.573 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.409 -1.644 -17.184 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.121 -2.830 -17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.771 -3.442 -15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.280 -3.129 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.528 -1.980 -14.775 1.00 0.00 H new ATOM 346 N ALA A 22 -3.371 0.840 -18.881 1.00 0.00 N ATOM 347 CA ALA A 22 -2.702 0.545 -20.150 1.00 0.00 C ATOM 348 C ALA A 22 -1.746 -0.632 -19.963 1.00 0.00 C ATOM 349 O ALA A 22 -1.830 -1.635 -20.673 1.00 0.00 O ATOM 350 CB ALA A 22 -1.912 1.760 -20.642 1.00 0.00 C ATOM 0 H ALA A 22 -3.202 1.777 -18.516 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.462 0.295 -20.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.423 1.518 -21.586 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.591 2.600 -20.789 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.158 2.028 -19.902 1.00 0.00 H new ATOM 356 N ALA A 23 -0.853 -0.502 -18.975 1.00 0.00 N ATOM 357 CA ALA A 23 0.103 -1.564 -18.666 1.00 0.00 C ATOM 358 C ALA A 23 -0.628 -2.778 -18.085 1.00 0.00 C ATOM 359 O ALA A 23 -0.246 -3.922 -18.322 1.00 0.00 O ATOM 360 CB ALA A 23 1.142 -1.074 -17.652 1.00 0.00 C ATOM 0 H ALA A 23 -0.775 0.323 -18.381 1.00 0.00 H new ATOM 0 HA ALA A 23 0.608 -1.846 -19.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.845 -1.878 -17.434 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.682 -0.222 -18.067 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.639 -0.773 -16.733 1.00 0.00 H new ATOM 366 N PHE A 24 -1.691 -2.509 -17.324 1.00 0.00 N ATOM 367 CA PHE A 24 -2.484 -3.576 -16.710 1.00 0.00 C ATOM 368 C PHE A 24 -3.142 -4.453 -17.780 1.00 0.00 C ATOM 369 O PHE A 24 -3.203 -5.671 -17.641 1.00 0.00 O ATOM 370 CB PHE A 24 -3.581 -2.977 -15.820 1.00 0.00 C ATOM 371 CG PHE A 24 -3.981 -3.965 -14.745 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.683 -5.130 -15.080 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.652 -3.710 -13.410 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.054 -6.035 -14.079 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.023 -4.612 -12.411 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.723 -5.774 -12.745 1.00 0.00 C ATOM 0 H PHE A 24 -2.021 -1.566 -17.119 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.810 -4.187 -16.109 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.224 -2.055 -15.362 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.449 -2.717 -16.426 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.938 -5.330 -16.110 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.109 -2.813 -13.151 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.595 -6.934 -14.336 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.769 -4.412 -11.381 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.009 -6.472 -11.972 1.00 0.00 H new ATOM 386 N ASP A 25 -3.649 -3.816 -18.838 1.00 0.00 N ATOM 387 CA ASP A 25 -4.320 -4.546 -19.916 1.00 0.00 C ATOM 388 C ASP A 25 -3.338 -5.393 -20.731 1.00 0.00 C ATOM 389 O ASP A 25 -3.657 -6.520 -21.110 1.00 0.00 O ATOM 390 CB ASP A 25 -5.036 -3.572 -20.858 1.00 0.00 C ATOM 391 CG ASP A 25 -6.227 -4.272 -21.506 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.023 -4.952 -22.498 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.326 -4.119 -20.999 1.00 0.00 O ATOM 0 H ASP A 25 -3.609 -2.806 -18.971 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.044 -5.211 -19.446 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.373 -2.696 -20.304 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.347 -3.219 -21.625 1.00 0.00 H new ATOM 398 N ILE A 26 -2.149 -4.846 -21.007 1.00 0.00 N ATOM 399 CA ILE A 26 -1.147 -5.583 -21.791 1.00 0.00 C ATOM 400 C ILE A 26 -0.610 -6.784 -21.005 1.00 0.00 C ATOM 401 O ILE A 26 -0.403 -7.859 -21.569 1.00 0.00 O ATOM 402 CB ILE A 26 0.024 -4.678 -22.215 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.640 -3.995 -20.987 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.486 -3.613 -23.190 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.852 -3.157 -21.405 1.00 0.00 C ATOM 0 H ILE A 26 -1.859 -3.915 -20.707 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.648 -5.940 -22.691 1.00 0.00 H new ATOM 0 HB ILE A 26 0.787 -5.287 -22.699 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.102 -3.360 -20.504 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.941 -4.746 -20.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.341 -2.970 -23.492 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.909 -4.098 -24.070 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.254 -3.012 -22.703 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.282 -2.676 -20.527 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.599 -3.803 -21.868 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.539 -2.395 -22.119 1.00 0.00 H new ATOM 417 N PHE A 27 -0.397 -6.597 -19.697 1.00 0.00 N ATOM 418 CA PHE A 27 0.103 -7.686 -18.851 1.00 0.00 C ATOM 419 C PHE A 27 -1.039 -8.646 -18.504 1.00 0.00 C ATOM 420 O PHE A 27 -0.872 -9.865 -18.543 1.00 0.00 O ATOM 421 CB PHE A 27 0.732 -7.142 -17.557 1.00 0.00 C ATOM 422 CG PHE A 27 1.866 -6.193 -17.893 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.756 -6.496 -18.935 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.023 -5.003 -17.169 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.795 -5.613 -19.252 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.065 -4.121 -17.488 1.00 0.00 C ATOM 427 CZ PHE A 27 3.948 -4.426 -18.530 1.00 0.00 C ATOM 0 H PHE A 27 -0.560 -5.717 -19.208 1.00 0.00 H new ATOM 0 HA PHE A 27 0.873 -8.219 -19.409 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.023 -6.625 -16.965 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.104 -7.966 -16.949 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.639 -7.413 -19.494 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.341 -4.766 -16.366 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.478 -5.849 -20.054 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.186 -3.205 -16.929 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.748 -3.744 -18.776 1.00 0.00 H new ATOM 437 N ILE A 28 -2.207 -8.075 -18.186 1.00 0.00 N ATOM 438 CA ILE A 28 -3.387 -8.873 -17.857 1.00 0.00 C ATOM 439 C ILE A 28 -4.388 -8.787 -19.014 1.00 0.00 C ATOM 440 O ILE A 28 -5.514 -8.305 -18.871 1.00 0.00 O ATOM 441 CB ILE A 28 -4.018 -8.375 -16.545 1.00 0.00 C ATOM 442 CG1 ILE A 28 -3.072 -8.700 -15.382 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.373 -9.048 -16.303 1.00 0.00 C ATOM 444 CD1 ILE A 28 -2.884 -10.219 -15.266 1.00 0.00 C ATOM 0 H ILE A 28 -2.357 -7.067 -18.150 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.099 -9.914 -17.714 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.175 -7.299 -16.615 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.108 -8.217 -15.541 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.477 -8.303 -14.451 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.800 -8.681 -15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.047 -8.815 -17.127 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.237 -10.128 -16.239 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.211 -10.440 -14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.849 -10.692 -15.086 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.458 -10.605 -16.192 1.00 0.00 H new ATOM 456 N GLN A 29 -3.936 -9.259 -20.173 1.00 0.00 N ATOM 457 CA GLN A 29 -4.761 -9.248 -21.378 1.00 0.00 C ATOM 458 C GLN A 29 -5.722 -10.435 -21.390 1.00 0.00 C ATOM 459 O GLN A 29 -6.915 -10.279 -21.659 1.00 0.00 O ATOM 460 CB GLN A 29 -3.876 -9.302 -22.627 1.00 0.00 C ATOM 461 CG GLN A 29 -4.746 -9.162 -23.876 1.00 0.00 C ATOM 462 CD GLN A 29 -3.869 -8.815 -25.075 1.00 0.00 C ATOM 463 OE1 GLN A 29 -3.517 -9.687 -25.867 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.491 -7.577 -25.257 1.00 0.00 N ATOM 0 H GLN A 29 -3.004 -9.653 -20.303 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.340 -8.324 -21.380 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.135 -8.503 -22.596 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.328 -10.244 -22.657 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.284 -10.092 -24.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.496 -8.385 -23.724 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.783 -6.853 -24.600 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.904 -7.335 -26.056 1.00 0.00 H new ATOM 473 N ASP A 30 -5.184 -11.625 -21.108 1.00 0.00 N ATOM 474 CA ASP A 30 -5.998 -12.840 -21.103 1.00 0.00 C ATOM 475 C ASP A 30 -6.112 -13.442 -19.695 1.00 0.00 C ATOM 476 O ASP A 30 -6.249 -14.659 -19.539 1.00 0.00 O ATOM 477 CB ASP A 30 -5.393 -13.881 -22.055 1.00 0.00 C ATOM 478 CG ASP A 30 -6.506 -14.746 -22.643 1.00 0.00 C ATOM 479 OD1 ASP A 30 -7.194 -14.271 -23.532 1.00 0.00 O ATOM 480 OD2 ASP A 30 -6.652 -15.874 -22.199 1.00 0.00 O ATOM 0 H ASP A 30 -4.200 -11.771 -20.883 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.999 -12.567 -21.438 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.845 -13.382 -22.855 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.678 -14.505 -21.520 1.00 0.00 H new ATOM 485 N ALA A 31 -6.074 -12.585 -18.668 1.00 0.00 N ATOM 486 CA ALA A 31 -6.195 -13.061 -17.291 1.00 0.00 C ATOM 487 C ALA A 31 -7.660 -13.071 -16.865 1.00 0.00 C ATOM 488 O ALA A 31 -8.482 -12.314 -17.387 1.00 0.00 O ATOM 489 CB ALA A 31 -5.402 -12.177 -16.325 1.00 0.00 C ATOM 0 H ALA A 31 -5.962 -11.576 -18.764 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.790 -14.072 -17.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.512 -12.557 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.348 -12.187 -16.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.780 -11.156 -16.373 1.00 0.00 H new ATOM 495 N GLU A 32 -7.969 -13.935 -15.903 1.00 0.00 N ATOM 496 CA GLU A 32 -9.336 -14.051 -15.388 1.00 0.00 C ATOM 497 C GLU A 32 -9.345 -13.836 -13.872 1.00 0.00 C ATOM 498 O GLU A 32 -10.028 -14.544 -13.127 1.00 0.00 O ATOM 499 CB GLU A 32 -9.932 -15.429 -15.723 1.00 0.00 C ATOM 500 CG GLU A 32 -9.018 -16.551 -15.207 1.00 0.00 C ATOM 501 CD GLU A 32 -8.012 -16.939 -16.289 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.415 -17.586 -17.241 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.853 -16.582 -16.150 1.00 0.00 O ATOM 0 H GLU A 32 -7.297 -14.564 -15.464 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.947 -13.285 -15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.921 -15.523 -15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.061 -15.524 -16.801 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.493 -16.221 -14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.615 -17.418 -14.925 1.00 0.00 H new ATOM 510 N ASP A 33 -8.565 -12.846 -13.429 1.00 0.00 N ATOM 511 CA ASP A 33 -8.469 -12.530 -12.003 1.00 0.00 C ATOM 512 C ASP A 33 -8.538 -11.021 -11.778 1.00 0.00 C ATOM 513 O ASP A 33 -9.288 -10.545 -10.925 1.00 0.00 O ATOM 514 CB ASP A 33 -7.153 -13.066 -11.423 1.00 0.00 C ATOM 515 CG ASP A 33 -7.020 -14.556 -11.734 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.499 -15.351 -10.944 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.443 -14.879 -12.760 1.00 0.00 O ATOM 0 H ASP A 33 -7.995 -12.254 -14.033 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.309 -13.006 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.310 -12.520 -11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.128 -12.906 -10.345 1.00 0.00 H new ATOM 522 N GLY A 34 -7.743 -10.274 -12.551 1.00 0.00 N ATOM 523 CA GLY A 34 -7.713 -8.818 -12.430 1.00 0.00 C ATOM 524 C GLY A 34 -6.570 -8.376 -11.521 1.00 0.00 C ATOM 525 O GLY A 34 -6.754 -7.538 -10.635 1.00 0.00 O ATOM 0 H GLY A 34 -7.117 -10.653 -13.262 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.595 -8.369 -13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.662 -8.462 -12.029 1.00 0.00 H new ATOM 529 N CYS A 35 -5.387 -8.954 -11.749 1.00 0.00 N ATOM 530 CA CYS A 35 -4.214 -8.615 -10.941 1.00 0.00 C ATOM 531 C CYS A 35 -2.926 -8.968 -11.681 1.00 0.00 C ATOM 532 O CYS A 35 -2.827 -10.020 -12.314 1.00 0.00 O ATOM 533 CB CYS A 35 -4.242 -9.361 -9.605 1.00 0.00 C ATOM 534 SG CYS A 35 -4.438 -11.139 -9.896 1.00 0.00 S ATOM 0 H CYS A 35 -5.218 -9.649 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.241 -7.541 -10.756 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.320 -9.173 -9.054 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.062 -8.992 -8.989 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.865 -11.461 -11.018 1.00 0.00 H new ATOM 540 N ILE A 36 -1.935 -8.079 -11.582 1.00 0.00 N ATOM 541 CA ILE A 36 -0.643 -8.306 -12.236 1.00 0.00 C ATOM 542 C ILE A 36 0.310 -9.021 -11.272 1.00 0.00 C ATOM 543 O ILE A 36 -0.021 -9.243 -10.106 1.00 0.00 O ATOM 544 CB ILE A 36 -0.013 -6.978 -12.706 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.536 -6.191 -11.505 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.064 -6.130 -13.429 1.00 0.00 C ATOM 547 CD1 ILE A 36 2.066 -6.244 -11.522 1.00 0.00 C ATOM 0 H ILE A 36 -2.000 -7.204 -11.061 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.812 -8.931 -13.113 1.00 0.00 H new ATOM 0 HB ILE A 36 0.806 -7.206 -13.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.196 -5.156 -11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.156 -6.613 -10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.613 -5.194 -13.758 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.439 -6.676 -14.295 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.889 -5.916 -12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.459 -5.687 -10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.395 -7.281 -11.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.435 -5.802 -12.447 1.00 0.00 H new ATOM 559 N SER A 37 1.494 -9.382 -11.770 1.00 0.00 N ATOM 560 CA SER A 37 2.478 -10.073 -10.938 1.00 0.00 C ATOM 561 C SER A 37 3.412 -9.070 -10.259 1.00 0.00 C ATOM 562 O SER A 37 4.254 -8.450 -10.909 1.00 0.00 O ATOM 563 CB SER A 37 3.306 -11.044 -11.784 1.00 0.00 C ATOM 564 OG SER A 37 3.949 -11.982 -10.932 1.00 0.00 O ATOM 0 H SER A 37 1.791 -9.210 -12.731 1.00 0.00 H new ATOM 0 HA SER A 37 1.938 -10.631 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.663 -11.563 -12.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.048 -10.496 -12.365 1.00 0.00 H new ATOM 0 HG SER A 37 4.544 -12.552 -11.463 1.00 0.00 H new ATOM 570 N THR A 38 3.244 -8.917 -8.941 1.00 0.00 N ATOM 571 CA THR A 38 4.071 -7.985 -8.156 1.00 0.00 C ATOM 572 C THR A 38 5.563 -8.252 -8.382 1.00 0.00 C ATOM 573 O THR A 38 6.348 -7.319 -8.557 1.00 0.00 O ATOM 574 CB THR A 38 3.778 -8.107 -6.652 1.00 0.00 C ATOM 575 OG1 THR A 38 4.107 -9.415 -6.196 1.00 0.00 O ATOM 576 CG2 THR A 38 2.298 -7.824 -6.380 1.00 0.00 C ATOM 0 H THR A 38 2.547 -9.423 -8.394 1.00 0.00 H new ATOM 0 HA THR A 38 3.820 -6.980 -8.494 1.00 0.00 H new ATOM 0 HB THR A 38 4.385 -7.377 -6.116 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.229 -9.401 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.101 -7.913 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.054 -6.815 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.684 -8.543 -6.923 1.00 0.00 H new ATOM 584 N LYS A 39 5.942 -9.535 -8.378 1.00 0.00 N ATOM 585 CA LYS A 39 7.344 -9.913 -8.591 1.00 0.00 C ATOM 586 C LYS A 39 7.810 -9.502 -9.993 1.00 0.00 C ATOM 587 O LYS A 39 8.997 -9.246 -10.210 1.00 0.00 O ATOM 588 CB LYS A 39 7.544 -11.425 -8.410 1.00 0.00 C ATOM 589 CG LYS A 39 6.655 -12.201 -9.392 1.00 0.00 C ATOM 590 CD LYS A 39 5.876 -13.284 -8.640 1.00 0.00 C ATOM 591 CE LYS A 39 6.779 -14.497 -8.399 1.00 0.00 C ATOM 592 NZ LYS A 39 6.511 -15.536 -9.434 1.00 0.00 N ATOM 0 H LYS A 39 5.307 -10.320 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 39 7.941 -9.388 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.590 -11.683 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.302 -11.711 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.963 -11.520 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.268 -12.655 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.516 -12.892 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.999 -13.580 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.826 -14.196 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.598 -14.905 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.126 -16.358 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.515 -15.831 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.705 -15.144 -10.378 1.00 0.00 H new ATOM 606 N GLU A 40 6.861 -9.420 -10.934 1.00 0.00 N ATOM 607 CA GLU A 40 7.177 -9.016 -12.304 1.00 0.00 C ATOM 608 C GLU A 40 6.638 -7.608 -12.574 1.00 0.00 C ATOM 609 O GLU A 40 6.309 -7.262 -13.711 1.00 0.00 O ATOM 610 CB GLU A 40 6.555 -9.988 -13.311 1.00 0.00 C ATOM 611 CG GLU A 40 7.088 -11.403 -13.067 1.00 0.00 C ATOM 612 CD GLU A 40 6.362 -12.386 -13.980 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.797 -12.548 -15.109 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.383 -12.962 -13.537 1.00 0.00 O ATOM 0 H GLU A 40 5.876 -9.627 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 40 8.261 -9.025 -12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.469 -9.978 -13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.790 -9.672 -14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.161 -11.437 -13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.941 -11.683 -12.024 1.00 0.00 H new ATOM 621 N LEU A 41 6.549 -6.797 -11.510 1.00 0.00 N ATOM 622 CA LEU A 41 6.046 -5.431 -11.642 1.00 0.00 C ATOM 623 C LEU A 41 7.064 -4.528 -12.342 1.00 0.00 C ATOM 624 O LEU A 41 6.708 -3.456 -12.822 1.00 0.00 O ATOM 625 CB LEU A 41 5.709 -4.836 -10.273 1.00 0.00 C ATOM 626 CG LEU A 41 4.784 -3.617 -10.316 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.749 -3.711 -9.194 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.613 -2.342 -10.145 1.00 0.00 C ATOM 0 H LEU A 41 6.816 -7.063 -10.562 1.00 0.00 H new ATOM 0 HA LEU A 41 5.141 -5.482 -12.247 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.242 -5.608 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.637 -4.554 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 41 4.268 -3.590 -11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.094 -2.841 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.156 -4.617 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.258 -3.742 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.955 -1.473 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.132 -2.371 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.344 -2.272 -10.951 1.00 0.00 H new ATOM 640 N GLY A 42 8.329 -4.970 -12.412 1.00 0.00 N ATOM 641 CA GLY A 42 9.373 -4.183 -13.078 1.00 0.00 C ATOM 642 C GLY A 42 8.959 -3.832 -14.511 1.00 0.00 C ATOM 643 O GLY A 42 9.316 -2.771 -15.028 1.00 0.00 O ATOM 0 H GLY A 42 8.649 -5.856 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.561 -3.269 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.306 -4.746 -13.092 1.00 0.00 H new ATOM 647 N LYS A 43 8.188 -4.733 -15.135 1.00 0.00 N ATOM 648 CA LYS A 43 7.706 -4.519 -16.505 1.00 0.00 C ATOM 649 C LYS A 43 6.693 -3.368 -16.552 1.00 0.00 C ATOM 650 O LYS A 43 6.568 -2.683 -17.568 1.00 0.00 O ATOM 651 CB LYS A 43 7.037 -5.791 -17.047 1.00 0.00 C ATOM 652 CG LYS A 43 7.990 -6.984 -16.907 1.00 0.00 C ATOM 653 CD LYS A 43 8.500 -7.405 -18.288 1.00 0.00 C ATOM 654 CE LYS A 43 8.654 -8.929 -18.338 1.00 0.00 C ATOM 655 NZ LYS A 43 7.355 -9.554 -18.722 1.00 0.00 N ATOM 0 H LYS A 43 7.886 -5.612 -14.715 1.00 0.00 H new ATOM 0 HA LYS A 43 8.568 -4.268 -17.123 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.113 -5.987 -16.502 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.766 -5.652 -18.094 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.829 -6.717 -16.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.476 -7.818 -16.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.805 -7.074 -19.060 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.457 -6.926 -18.495 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.427 -9.203 -19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.976 -9.304 -17.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.463 -10.588 -18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.629 -9.304 -18.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.066 -9.206 -19.659 1.00 0.00 H new ATOM 669 N VAL A 44 5.982 -3.155 -15.437 1.00 0.00 N ATOM 670 CA VAL A 44 4.994 -2.073 -15.354 1.00 0.00 C ATOM 671 C VAL A 44 5.648 -0.820 -14.761 1.00 0.00 C ATOM 672 O VAL A 44 5.285 0.304 -15.106 1.00 0.00 O ATOM 673 CB VAL A 44 3.754 -2.489 -14.515 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.700 -4.011 -14.348 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.782 -1.844 -13.121 1.00 0.00 C ATOM 0 H VAL A 44 6.071 -3.712 -14.587 1.00 0.00 H new ATOM 0 HA VAL A 44 4.644 -1.856 -16.363 1.00 0.00 H new ATOM 0 HB VAL A 44 2.872 -2.143 -15.053 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.825 -4.281 -13.758 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.636 -4.483 -15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.601 -4.353 -13.839 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.901 -2.154 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.681 -2.160 -12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.784 -0.759 -13.222 1.00 0.00 H new ATOM 685 N MET A 45 6.625 -1.036 -13.870 1.00 0.00 N ATOM 686 CA MET A 45 7.341 0.065 -13.235 1.00 0.00 C ATOM 687 C MET A 45 8.058 0.902 -14.292 1.00 0.00 C ATOM 688 O MET A 45 8.063 2.133 -14.224 1.00 0.00 O ATOM 689 CB MET A 45 8.369 -0.471 -12.231 1.00 0.00 C ATOM 690 CG MET A 45 8.566 0.547 -11.106 1.00 0.00 C ATOM 691 SD MET A 45 7.119 0.536 -10.019 1.00 0.00 S ATOM 692 CE MET A 45 7.874 1.403 -8.622 1.00 0.00 C ATOM 0 H MET A 45 6.933 -1.963 -13.577 1.00 0.00 H new ATOM 0 HA MET A 45 6.617 0.686 -12.707 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.029 -1.422 -11.820 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.318 -0.662 -12.733 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.463 0.306 -10.536 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.712 1.543 -11.524 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.270 1.248 -7.728 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.878 1.015 -8.453 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.929 2.469 -8.842 1.00 0.00 H new ATOM 702 N ARG A 46 8.643 0.219 -15.285 1.00 0.00 N ATOM 703 CA ARG A 46 9.341 0.914 -16.370 1.00 0.00 C ATOM 704 C ARG A 46 8.352 1.770 -17.172 1.00 0.00 C ATOM 705 O ARG A 46 8.708 2.833 -17.682 1.00 0.00 O ATOM 706 CB ARG A 46 10.044 -0.084 -17.304 1.00 0.00 C ATOM 707 CG ARG A 46 9.039 -1.101 -17.857 1.00 0.00 C ATOM 708 CD ARG A 46 9.496 -1.575 -19.238 1.00 0.00 C ATOM 709 NE ARG A 46 10.636 -2.489 -19.126 1.00 0.00 N ATOM 710 CZ ARG A 46 11.245 -2.992 -20.210 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.829 -2.682 -21.415 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.262 -3.803 -20.064 1.00 0.00 N ATOM 0 H ARG A 46 8.647 -0.798 -15.358 1.00 0.00 H new ATOM 0 HA ARG A 46 10.098 1.560 -15.925 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.519 0.451 -18.126 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.835 -0.603 -16.762 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.955 -1.950 -17.179 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.049 -0.649 -17.925 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.672 -2.076 -19.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.772 -0.716 -19.849 1.00 0.00 H new ATOM 0 HE ARG A 46 10.975 -2.749 -18.200 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.035 -2.053 -21.534 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.299 -3.070 -22.233 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.588 -4.050 -19.129 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.729 -4.188 -20.885 1.00 0.00 H new ATOM 726 N MET A 47 7.098 1.302 -17.248 1.00 0.00 N ATOM 727 CA MET A 47 6.046 2.035 -17.955 1.00 0.00 C ATOM 728 C MET A 47 5.703 3.324 -17.197 1.00 0.00 C ATOM 729 O MET A 47 5.332 4.332 -17.801 1.00 0.00 O ATOM 730 CB MET A 47 4.781 1.176 -18.070 1.00 0.00 C ATOM 731 CG MET A 47 4.688 0.560 -19.470 1.00 0.00 C ATOM 732 SD MET A 47 6.080 -0.569 -19.738 1.00 0.00 S ATOM 733 CE MET A 47 6.977 0.444 -20.940 1.00 0.00 C ATOM 0 H MET A 47 6.792 0.424 -16.830 1.00 0.00 H new ATOM 0 HA MET A 47 6.411 2.279 -18.953 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.798 0.387 -17.318 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.899 1.785 -17.873 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.746 0.023 -19.579 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.695 1.347 -20.225 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.531 -0.203 -21.620 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.269 1.046 -21.509 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.672 1.100 -20.416 1.00 0.00 H new ATOM 743 N LEU A 48 5.846 3.276 -15.865 1.00 0.00 N ATOM 744 CA LEU A 48 5.566 4.440 -15.017 1.00 0.00 C ATOM 745 C LEU A 48 6.686 5.473 -15.150 1.00 0.00 C ATOM 746 O LEU A 48 6.450 6.680 -15.051 1.00 0.00 O ATOM 747 CB LEU A 48 5.455 4.016 -13.546 1.00 0.00 C ATOM 748 CG LEU A 48 4.041 3.673 -13.055 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.421 2.600 -13.956 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.120 3.146 -11.619 1.00 0.00 C ATOM 0 H LEU A 48 6.152 2.447 -15.355 1.00 0.00 H new ATOM 0 HA LEU A 48 4.622 4.877 -15.342 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.095 3.148 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.850 4.820 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 48 3.421 4.569 -13.087 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.418 2.362 -13.601 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.365 2.972 -14.979 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.038 1.702 -13.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.118 2.901 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.743 2.252 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.555 3.910 -10.975 1.00 0.00 H new ATOM 762 N GLY A 49 7.910 4.982 -15.379 1.00 0.00 N ATOM 763 CA GLY A 49 9.073 5.857 -15.534 1.00 0.00 C ATOM 764 C GLY A 49 10.135 5.587 -14.460 1.00 0.00 C ATOM 765 O GLY A 49 10.861 6.498 -14.057 1.00 0.00 O ATOM 0 H GLY A 49 8.118 3.987 -15.460 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.509 5.710 -16.522 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.755 6.898 -15.477 1.00 0.00 H new ATOM 769 N GLN A 50 10.222 4.331 -14.005 1.00 0.00 N ATOM 770 CA GLN A 50 11.207 3.962 -12.981 1.00 0.00 C ATOM 771 C GLN A 50 11.483 2.456 -13.012 1.00 0.00 C ATOM 772 O GLN A 50 10.564 1.648 -13.139 1.00 0.00 O ATOM 773 CB GLN A 50 10.715 4.361 -11.580 1.00 0.00 C ATOM 774 CG GLN A 50 9.295 3.830 -11.343 1.00 0.00 C ATOM 775 CD GLN A 50 8.390 4.969 -10.880 1.00 0.00 C ATOM 776 OE1 GLN A 50 8.157 5.137 -9.683 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.860 5.769 -11.765 1.00 0.00 N ATOM 0 H GLN A 50 9.632 3.563 -14.324 1.00 0.00 H new ATOM 0 HA GLN A 50 12.129 4.500 -13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.391 3.963 -10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.726 5.446 -11.478 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.903 3.391 -12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.313 3.039 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.052 5.631 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.254 6.532 -11.464 1.00 0.00 H new ATOM 786 N ASN A 51 12.762 2.089 -12.900 1.00 0.00 N ATOM 787 CA ASN A 51 13.146 0.676 -12.923 1.00 0.00 C ATOM 788 C ASN A 51 14.082 0.342 -11.755 1.00 0.00 C ATOM 789 O ASN A 51 15.307 0.437 -11.874 1.00 0.00 O ATOM 790 CB ASN A 51 13.841 0.334 -14.248 1.00 0.00 C ATOM 791 CG ASN A 51 13.687 -1.158 -14.536 1.00 0.00 C ATOM 792 OD1 ASN A 51 12.612 -1.613 -14.928 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.708 -1.954 -14.363 1.00 0.00 N ATOM 0 H ASN A 51 13.540 2.741 -12.794 1.00 0.00 H new ATOM 0 HA ASN A 51 12.238 0.081 -12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.407 0.918 -15.059 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.897 0.598 -14.195 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.615 -2.952 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.599 -1.578 -14.038 1.00 0.00 H new ATOM 800 N PRO A 52 13.508 -0.059 -10.612 1.00 0.00 N ATOM 801 CA PRO A 52 14.287 -0.419 -9.410 1.00 0.00 C ATOM 802 C PRO A 52 14.783 -1.873 -9.447 1.00 0.00 C ATOM 803 O PRO A 52 14.866 -2.484 -10.513 1.00 0.00 O ATOM 804 CB PRO A 52 13.261 -0.213 -8.297 1.00 0.00 C ATOM 805 CG PRO A 52 11.881 -0.351 -8.930 1.00 0.00 C ATOM 806 CD PRO A 52 12.045 -0.173 -10.443 1.00 0.00 C ATOM 0 HA PRO A 52 15.197 0.170 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.398 -0.950 -7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.379 0.770 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.452 -1.327 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.199 0.398 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.641 -1.022 -10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.527 0.716 -10.802 1.00 0.00 H new ATOM 814 N THR A 53 15.106 -2.417 -8.269 1.00 0.00 N ATOM 815 CA THR A 53 15.586 -3.800 -8.170 1.00 0.00 C ATOM 816 C THR A 53 14.439 -4.704 -7.707 1.00 0.00 C ATOM 817 O THR A 53 13.373 -4.210 -7.334 1.00 0.00 O ATOM 818 CB THR A 53 16.761 -3.891 -7.174 1.00 0.00 C ATOM 819 OG1 THR A 53 16.264 -4.007 -5.847 1.00 0.00 O ATOM 820 CG2 THR A 53 17.635 -2.640 -7.275 1.00 0.00 C ATOM 0 H THR A 53 15.045 -1.926 -7.377 1.00 0.00 H new ATOM 0 HA THR A 53 15.936 -4.127 -9.149 1.00 0.00 H new ATOM 0 HB THR A 53 17.357 -4.770 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.015 -4.066 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.461 -2.715 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.031 -2.553 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.037 -1.759 -7.042 1.00 0.00 H new ATOM 828 N PRO A 54 14.634 -6.032 -7.707 1.00 0.00 N ATOM 829 CA PRO A 54 13.580 -6.967 -7.262 1.00 0.00 C ATOM 830 C PRO A 54 13.372 -6.916 -5.747 1.00 0.00 C ATOM 831 O PRO A 54 12.270 -7.165 -5.254 1.00 0.00 O ATOM 832 CB PRO A 54 14.115 -8.319 -7.720 1.00 0.00 C ATOM 833 CG PRO A 54 15.621 -8.170 -7.866 1.00 0.00 C ATOM 834 CD PRO A 54 15.895 -6.686 -8.127 1.00 0.00 C ATOM 0 HA PRO A 54 12.598 -6.733 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.872 -9.096 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.662 -8.613 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.132 -8.505 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.992 -8.782 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.747 -6.326 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.117 -6.496 -9.177 1.00 0.00 H new ATOM 842 N GLU A 55 14.438 -6.560 -5.020 1.00 0.00 N ATOM 843 CA GLU A 55 14.362 -6.444 -3.563 1.00 0.00 C ATOM 844 C GLU A 55 13.753 -5.093 -3.170 1.00 0.00 C ATOM 845 O GLU A 55 13.031 -4.993 -2.175 1.00 0.00 O ATOM 846 CB GLU A 55 15.755 -6.570 -2.938 1.00 0.00 C ATOM 847 CG GLU A 55 16.148 -8.049 -2.847 1.00 0.00 C ATOM 848 CD GLU A 55 17.657 -8.192 -3.030 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.086 -8.331 -4.163 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.361 -8.162 -2.034 1.00 0.00 O ATOM 0 H GLU A 55 15.355 -6.349 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 55 13.730 -7.251 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.484 -6.026 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.761 -6.120 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.849 -8.456 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.623 -8.623 -3.611 1.00 0.00 H new ATOM 857 N GLU A 56 14.056 -4.054 -3.963 1.00 0.00 N ATOM 858 CA GLU A 56 13.540 -2.709 -3.693 1.00 0.00 C ATOM 859 C GLU A 56 12.067 -2.594 -4.087 1.00 0.00 C ATOM 860 O GLU A 56 11.258 -2.046 -3.335 1.00 0.00 O ATOM 861 CB GLU A 56 14.344 -1.662 -4.468 1.00 0.00 C ATOM 862 CG GLU A 56 14.628 -0.459 -3.565 1.00 0.00 C ATOM 863 CD GLU A 56 15.818 0.321 -4.116 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.598 1.209 -4.923 1.00 0.00 O ATOM 865 OE2 GLU A 56 16.934 0.019 -3.723 1.00 0.00 O ATOM 0 H GLU A 56 14.651 -4.121 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 56 13.637 -2.530 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.281 -2.095 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.790 -1.344 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.750 0.185 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.838 -0.795 -2.549 1.00 0.00 H new ATOM 872 N LEU A 57 11.726 -3.108 -5.275 1.00 0.00 N ATOM 873 CA LEU A 57 10.346 -3.049 -5.757 1.00 0.00 C ATOM 874 C LEU A 57 9.411 -3.847 -4.842 1.00 0.00 C ATOM 875 O LEU A 57 8.275 -3.437 -4.604 1.00 0.00 O ATOM 876 CB LEU A 57 10.244 -3.576 -7.197 1.00 0.00 C ATOM 877 CG LEU A 57 10.286 -5.103 -7.369 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.881 -5.688 -7.185 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.790 -5.440 -8.776 1.00 0.00 C ATOM 0 H LEU A 57 12.380 -3.564 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 57 10.038 -2.004 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.314 -3.209 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.059 -3.144 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 57 10.955 -5.529 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.919 -6.770 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.515 -5.449 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.209 -5.261 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.821 -6.522 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.117 -5.008 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.791 -5.030 -8.912 1.00 0.00 H new ATOM 891 N GLN A 58 9.901 -4.985 -4.329 1.00 0.00 N ATOM 892 CA GLN A 58 9.092 -5.826 -3.437 1.00 0.00 C ATOM 893 C GLN A 58 8.663 -5.049 -2.190 1.00 0.00 C ATOM 894 O GLN A 58 7.540 -5.209 -1.709 1.00 0.00 O ATOM 895 CB GLN A 58 9.868 -7.077 -3.006 1.00 0.00 C ATOM 896 CG GLN A 58 9.323 -8.301 -3.750 1.00 0.00 C ATOM 897 CD GLN A 58 7.921 -8.639 -3.240 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.768 -9.207 -2.158 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.876 -8.322 -3.962 1.00 0.00 N ATOM 0 H GLN A 58 10.839 -5.340 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 58 8.206 -6.128 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.929 -6.951 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.775 -7.222 -1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.292 -8.102 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.988 -9.152 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.999 -7.852 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.939 -8.545 -3.628 1.00 0.00 H new ATOM 908 N GLU A 59 9.560 -4.196 -1.679 1.00 0.00 N ATOM 909 CA GLU A 59 9.247 -3.386 -0.496 1.00 0.00 C ATOM 910 C GLU A 59 8.057 -2.473 -0.788 1.00 0.00 C ATOM 911 O GLU A 59 7.173 -2.297 0.052 1.00 0.00 O ATOM 912 CB GLU A 59 10.449 -2.526 -0.088 1.00 0.00 C ATOM 913 CG GLU A 59 11.402 -3.354 0.778 1.00 0.00 C ATOM 914 CD GLU A 59 10.968 -3.270 2.240 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.146 -4.079 2.641 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.463 -2.399 2.935 1.00 0.00 O ATOM 0 H GLU A 59 10.495 -4.050 -2.060 1.00 0.00 H new ATOM 0 HA GLU A 59 9.003 -4.064 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.969 -2.165 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.111 -1.648 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.401 -4.392 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.422 -2.985 0.669 1.00 0.00 H new ATOM 923 N MET A 60 8.041 -1.911 -2.003 1.00 0.00 N ATOM 924 CA MET A 60 6.948 -1.030 -2.422 1.00 0.00 C ATOM 925 C MET A 60 5.648 -1.823 -2.531 1.00 0.00 C ATOM 926 O MET A 60 4.580 -1.341 -2.154 1.00 0.00 O ATOM 927 CB MET A 60 7.250 -0.384 -3.780 1.00 0.00 C ATOM 928 CG MET A 60 8.629 0.280 -3.744 1.00 0.00 C ATOM 929 SD MET A 60 8.745 1.508 -5.068 1.00 0.00 S ATOM 930 CE MET A 60 10.351 2.196 -4.602 1.00 0.00 C ATOM 0 H MET A 60 8.766 -2.050 -2.707 1.00 0.00 H new ATOM 0 HA MET A 60 6.846 -0.247 -1.671 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.220 -1.138 -4.566 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.486 0.356 -4.019 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.789 0.757 -2.777 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.409 -0.472 -3.862 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.624 2.987 -5.300 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.293 2.606 -3.594 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.106 1.410 -4.631 1.00 0.00 H new ATOM 940 N ILE A 61 5.762 -3.052 -3.047 1.00 0.00 N ATOM 941 CA ILE A 61 4.598 -3.931 -3.203 1.00 0.00 C ATOM 942 C ILE A 61 3.984 -4.240 -1.839 1.00 0.00 C ATOM 943 O ILE A 61 2.795 -4.027 -1.625 1.00 0.00 O ATOM 944 CB ILE A 61 4.988 -5.254 -3.884 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.573 -4.985 -5.281 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.752 -6.152 -4.017 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.616 -4.115 -6.102 1.00 0.00 C ATOM 0 H ILE A 61 6.643 -3.459 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 61 3.873 -3.410 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 61 5.740 -5.752 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.538 -4.487 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.749 -5.929 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.033 -7.088 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.346 -6.362 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.997 -5.645 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.044 -3.934 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.660 -4.628 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.462 -3.164 -5.593 1.00 0.00 H new ATOM 959 N ASP A 62 4.811 -4.745 -0.918 1.00 0.00 N ATOM 960 CA ASP A 62 4.339 -5.083 0.430 1.00 0.00 C ATOM 961 C ASP A 62 3.615 -3.897 1.077 1.00 0.00 C ATOM 962 O ASP A 62 2.648 -4.078 1.819 1.00 0.00 O ATOM 963 CB ASP A 62 5.515 -5.493 1.323 1.00 0.00 C ATOM 964 CG ASP A 62 5.030 -6.469 2.392 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.056 -7.662 2.134 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.641 -6.009 3.454 1.00 0.00 O ATOM 0 H ASP A 62 5.802 -4.928 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 62 3.642 -5.915 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.297 -5.956 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.953 -4.612 1.792 1.00 0.00 H new ATOM 971 N GLU A 63 4.099 -2.683 0.791 1.00 0.00 N ATOM 972 CA GLU A 63 3.499 -1.470 1.354 1.00 0.00 C ATOM 973 C GLU A 63 2.139 -1.167 0.713 1.00 0.00 C ATOM 974 O GLU A 63 1.128 -1.055 1.410 1.00 0.00 O ATOM 975 CB GLU A 63 4.430 -0.270 1.144 1.00 0.00 C ATOM 976 CG GLU A 63 5.542 -0.295 2.198 1.00 0.00 C ATOM 977 CD GLU A 63 6.589 0.762 1.860 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.439 1.885 2.315 1.00 0.00 O ATOM 979 OE2 GLU A 63 7.528 0.435 1.152 1.00 0.00 O ATOM 0 H GLU A 63 4.897 -2.516 0.179 1.00 0.00 H new ATOM 0 HA GLU A 63 3.352 -1.643 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.862 -0.302 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.865 0.659 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.124 -0.105 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.004 -1.282 2.231 1.00 0.00 H new ATOM 986 N VAL A 64 2.124 -1.023 -0.619 1.00 0.00 N ATOM 987 CA VAL A 64 0.882 -0.714 -1.342 1.00 0.00 C ATOM 988 C VAL A 64 -0.141 -1.855 -1.227 1.00 0.00 C ATOM 989 O VAL A 64 -1.336 -1.605 -1.048 1.00 0.00 O ATOM 990 CB VAL A 64 1.175 -0.423 -2.827 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.783 -1.657 -3.499 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.126 -0.042 -3.544 1.00 0.00 C ATOM 0 H VAL A 64 2.948 -1.114 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 64 0.452 0.175 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 64 1.884 0.402 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.985 -1.438 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.714 -1.923 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.084 -2.490 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.084 0.163 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.837 -0.865 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.551 0.847 -3.078 1.00 0.00 H new ATOM 1002 N ASP A 65 0.334 -3.103 -1.325 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.549 -4.264 -1.224 1.00 0.00 C ATOM 1004 C ASP A 65 -1.020 -4.428 0.222 1.00 0.00 C ATOM 1005 O ASP A 65 -0.251 -4.831 1.098 1.00 0.00 O ATOM 1006 CB ASP A 65 0.183 -5.540 -1.672 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.657 -6.295 -2.699 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.483 -7.095 -2.290 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.458 -6.067 -3.882 1.00 0.00 O ATOM 0 H ASP A 65 1.317 -3.330 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.408 -4.105 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.151 -5.281 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.378 -6.178 -0.810 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.294 -4.098 0.460 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.873 -4.199 1.807 1.00 0.00 C ATOM 1016 C GLU A 66 -2.821 -5.642 2.302 1.00 0.00 C ATOM 1017 O GLU A 66 -2.405 -5.912 3.431 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.336 -3.731 1.814 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.442 -2.336 1.191 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.866 -1.812 1.351 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.679 -2.079 0.480 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.126 -1.150 2.344 1.00 0.00 O ATOM 0 H GLU A 66 -2.940 -3.762 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.286 -3.559 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.954 -4.435 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.716 -3.712 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.738 -1.657 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.175 -2.377 0.135 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.251 -6.562 1.438 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.257 -7.988 1.778 1.00 0.00 C ATOM 1031 C ASP A 67 -1.872 -8.611 1.585 1.00 0.00 C ATOM 1032 O ASP A 67 -1.444 -9.446 2.385 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.283 -8.755 0.925 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.140 -8.381 -0.553 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.659 -7.345 -0.939 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.518 -9.138 -1.275 1.00 0.00 O ATOM 0 H ASP A 67 -3.598 -6.349 0.503 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.536 -8.066 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.139 -9.828 1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.292 -8.527 1.268 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.178 -8.207 0.516 1.00 0.00 N ATOM 1042 CA GLY A 68 0.154 -8.745 0.232 1.00 0.00 C ATOM 1043 C GLY A 68 0.052 -10.163 -0.323 1.00 0.00 C ATOM 1044 O GLY A 68 0.755 -11.072 0.123 1.00 0.00 O ATOM 0 H GLY A 68 -1.512 -7.518 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.666 -8.104 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.753 -8.747 1.142 1.00 0.00 H new ATOM 1048 N SER A 69 -0.842 -10.338 -1.299 1.00 0.00 N ATOM 1049 CA SER A 69 -1.055 -11.649 -1.923 1.00 0.00 C ATOM 1050 C SER A 69 0.016 -11.962 -2.978 1.00 0.00 C ATOM 1051 O SER A 69 0.153 -13.110 -3.406 1.00 0.00 O ATOM 1052 CB SER A 69 -2.431 -11.698 -2.599 1.00 0.00 C ATOM 1053 OG SER A 69 -2.543 -10.626 -3.532 1.00 0.00 O ATOM 0 H SER A 69 -1.429 -9.593 -1.674 1.00 0.00 H new ATOM 0 HA SER A 69 -0.993 -12.393 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.563 -12.652 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.219 -11.625 -1.849 1.00 0.00 H new ATOM 0 HG SER A 69 -2.877 -9.827 -3.074 1.00 0.00 H new ATOM 1059 N GLY A 70 0.757 -10.934 -3.409 1.00 0.00 N ATOM 1060 CA GLY A 70 1.787 -11.118 -4.430 1.00 0.00 C ATOM 1061 C GLY A 70 1.250 -10.745 -5.816 1.00 0.00 C ATOM 1062 O GLY A 70 1.861 -11.071 -6.836 1.00 0.00 O ATOM 0 H GLY A 70 0.662 -9.977 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.655 -10.502 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.123 -12.155 -4.432 1.00 0.00 H new ATOM 1066 N THR A 71 0.101 -10.052 -5.840 1.00 0.00 N ATOM 1067 CA THR A 71 -0.515 -9.631 -7.096 1.00 0.00 C ATOM 1068 C THR A 71 -1.132 -8.242 -6.928 1.00 0.00 C ATOM 1069 O THR A 71 -1.901 -8.001 -5.993 1.00 0.00 O ATOM 1070 CB THR A 71 -1.609 -10.621 -7.525 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.673 -10.597 -6.581 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.028 -12.034 -7.592 1.00 0.00 C ATOM 0 H THR A 71 -0.414 -9.775 -5.004 1.00 0.00 H new ATOM 0 HA THR A 71 0.257 -9.604 -7.865 1.00 0.00 H new ATOM 0 HB THR A 71 -1.985 -10.334 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.309 -10.681 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.807 -12.733 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.214 -12.059 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.649 -12.318 -6.611 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.785 -7.329 -7.835 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.313 -5.967 -7.763 1.00 0.00 C ATOM 1082 C VAL A 72 -2.611 -5.857 -8.554 1.00 0.00 C ATOM 1083 O VAL A 72 -2.628 -6.031 -9.773 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.319 -4.941 -8.322 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.754 -3.532 -7.908 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.084 -5.213 -7.777 1.00 0.00 C ATOM 0 H VAL A 72 -0.152 -7.503 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.491 -5.752 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.303 -5.021 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.048 -2.802 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.749 -3.327 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.775 -3.463 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.780 -4.478 -8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.072 -5.142 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.401 -6.213 -8.071 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.690 -5.534 -7.846 1.00 0.00 N ATOM 1097 CA ASP A 73 -4.991 -5.364 -8.493 1.00 0.00 C ATOM 1098 C ASP A 73 -5.047 -3.968 -9.101 1.00 0.00 C ATOM 1099 O ASP A 73 -4.213 -3.121 -8.782 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.140 -5.516 -7.484 1.00 0.00 C ATOM 1101 CG ASP A 73 -5.939 -6.775 -6.638 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.943 -7.854 -7.203 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.790 -6.638 -5.435 1.00 0.00 O ATOM 0 H ASP A 73 -3.692 -5.386 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.106 -6.131 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.185 -4.639 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.092 -5.572 -8.012 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.025 -3.719 -9.972 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.139 -2.398 -10.588 1.00 0.00 C ATOM 1110 C PHE A 74 -6.305 -1.316 -9.513 1.00 0.00 C ATOM 1111 O PHE A 74 -5.814 -0.195 -9.668 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.316 -2.337 -11.564 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.207 -1.079 -12.386 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.997 -0.764 -13.014 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.306 -0.227 -12.511 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.889 0.405 -13.769 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.198 0.945 -13.268 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.989 1.261 -13.896 1.00 0.00 C ATOM 0 H PHE A 74 -6.732 -4.395 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.220 -2.216 -11.145 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.312 -3.212 -12.213 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.259 -2.349 -11.018 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.148 -1.424 -12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.238 -0.472 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.956 0.649 -14.255 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.047 1.605 -13.367 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.904 2.166 -14.479 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.981 -1.673 -8.412 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.181 -0.735 -7.304 1.00 0.00 C ATOM 1130 C ASP A 75 -5.838 -0.427 -6.637 1.00 0.00 C ATOM 1131 O ASP A 75 -5.526 0.729 -6.348 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.139 -1.322 -6.259 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.530 -1.480 -6.870 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.298 -0.535 -6.802 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.806 -2.546 -7.397 1.00 0.00 O ATOM 0 H ASP A 75 -7.394 -2.595 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.615 0.180 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.770 -2.288 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.186 -0.670 -5.387 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.040 -1.481 -6.418 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.715 -1.324 -5.805 1.00 0.00 C ATOM 1142 C GLU A 76 -2.743 -0.671 -6.795 1.00 0.00 C ATOM 1143 O GLU A 76 -1.795 0.008 -6.397 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.147 -2.686 -5.379 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.150 -3.413 -4.470 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.599 -4.785 -4.071 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.127 -5.498 -4.945 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.664 -5.107 -2.897 1.00 0.00 O ATOM 0 H GLU A 76 -5.286 -2.442 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.828 -0.689 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.936 -3.293 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.202 -2.547 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.343 -2.817 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.102 -3.531 -4.987 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.996 -0.890 -8.093 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.157 -0.334 -9.155 1.00 0.00 C ATOM 1157 C PHE A 77 -2.211 1.195 -9.142 1.00 0.00 C ATOM 1158 O PHE A 77 -1.176 1.864 -9.137 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.644 -0.847 -10.519 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.498 -1.035 -11.491 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.174 -1.190 -11.044 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.775 -1.063 -12.860 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.858 -1.367 -11.970 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.743 -1.243 -13.783 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.575 -1.394 -13.340 1.00 0.00 C ATOM 0 H PHE A 77 -3.779 -1.451 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.128 -0.651 -8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.167 -1.794 -10.386 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.363 -0.142 -10.937 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.045 -1.172 -9.987 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.791 -0.945 -13.206 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.876 -1.483 -11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.963 -1.266 -14.840 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.373 -1.531 -14.054 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.435 1.736 -9.130 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.629 3.190 -9.110 1.00 0.00 C ATOM 1177 C LEU A 78 -3.262 3.767 -7.739 1.00 0.00 C ATOM 1178 O LEU A 78 -2.839 4.921 -7.634 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.086 3.545 -9.432 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.424 3.652 -10.926 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.950 2.396 -11.659 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.938 3.795 -11.094 1.00 0.00 C ATOM 0 H LEU A 78 -4.299 1.194 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.976 3.623 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.733 2.791 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.325 4.495 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.922 4.524 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.193 2.479 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.871 2.291 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.447 1.521 -11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.181 3.871 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.435 2.923 -10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.278 4.693 -10.578 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.418 2.947 -6.692 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.091 3.372 -5.329 1.00 0.00 C ATOM 1196 C VAL A 79 -1.600 3.720 -5.236 1.00 0.00 C ATOM 1197 O VAL A 79 -1.226 4.754 -4.686 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.442 2.255 -4.328 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.483 2.276 -3.136 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.875 2.456 -3.825 1.00 0.00 C ATOM 0 H VAL A 79 -3.767 1.991 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.676 4.258 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.353 1.294 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.749 1.479 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.462 2.126 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.554 3.238 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.126 1.667 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.955 3.425 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.565 2.420 -4.668 1.00 0.00 H new ATOM 1210 N MET A 80 -0.760 2.835 -5.782 1.00 0.00 N ATOM 1211 CA MET A 80 0.695 3.036 -5.776 1.00 0.00 C ATOM 1212 C MET A 80 1.078 4.452 -6.232 1.00 0.00 C ATOM 1213 O MET A 80 2.095 4.995 -5.794 1.00 0.00 O ATOM 1214 CB MET A 80 1.373 2.021 -6.702 1.00 0.00 C ATOM 1215 CG MET A 80 2.522 1.336 -5.959 1.00 0.00 C ATOM 1216 SD MET A 80 3.139 -0.051 -6.946 1.00 0.00 S ATOM 1217 CE MET A 80 3.866 0.925 -8.286 1.00 0.00 C ATOM 0 H MET A 80 -1.061 1.972 -6.234 1.00 0.00 H new ATOM 0 HA MET A 80 1.034 2.897 -4.749 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.649 1.278 -7.036 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.750 2.522 -7.593 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.325 2.049 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.180 0.981 -4.987 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.519 0.291 -8.885 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.072 1.326 -8.916 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.445 1.747 -7.865 1.00 0.00 H new ATOM 1227 N MET A 81 0.256 5.049 -7.112 1.00 0.00 N ATOM 1228 CA MET A 81 0.533 6.403 -7.607 1.00 0.00 C ATOM 1229 C MET A 81 0.426 7.419 -6.468 1.00 0.00 C ATOM 1230 O MET A 81 1.368 8.169 -6.205 1.00 0.00 O ATOM 1231 CB MET A 81 -0.446 6.785 -8.727 1.00 0.00 C ATOM 1232 CG MET A 81 -0.118 8.188 -9.259 1.00 0.00 C ATOM 1233 SD MET A 81 1.646 8.305 -9.658 1.00 0.00 S ATOM 1234 CE MET A 81 1.635 7.201 -11.091 1.00 0.00 C ATOM 0 H MET A 81 -0.591 4.622 -7.488 1.00 0.00 H new ATOM 0 HA MET A 81 1.547 6.414 -8.006 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.386 6.058 -9.537 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.469 6.760 -8.351 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.714 8.397 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.381 8.939 -8.514 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.375 7.539 -11.817 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.877 6.188 -10.771 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.646 7.210 -11.550 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.727 7.430 -5.788 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.936 8.356 -4.665 1.00 0.00 C ATOM 1246 C VAL A 82 0.004 8.017 -3.502 1.00 0.00 C ATOM 1247 O VAL A 82 0.388 8.896 -2.728 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.390 8.318 -4.169 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.318 8.867 -5.255 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.803 6.880 -3.833 1.00 0.00 C ATOM 0 H VAL A 82 -1.519 6.819 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.717 9.360 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.468 8.930 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.349 8.839 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.041 9.896 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.226 8.258 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.835 6.870 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.716 6.259 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.152 6.487 -3.052 1.00 0.00 H new ATOM 1260 N ARG A 83 0.379 6.734 -3.400 1.00 0.00 N ATOM 1261 CA ARG A 83 1.290 6.282 -2.341 1.00 0.00 C ATOM 1262 C ARG A 83 2.647 6.990 -2.447 1.00 0.00 C ATOM 1263 O ARG A 83 3.381 7.095 -1.462 1.00 0.00 O ATOM 1264 CB ARG A 83 1.512 4.768 -2.430 1.00 0.00 C ATOM 1265 CG ARG A 83 0.260 4.032 -1.944 1.00 0.00 C ATOM 1266 CD ARG A 83 0.639 3.053 -0.830 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.551 2.621 -0.091 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.461 2.034 1.110 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.707 1.821 1.669 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.554 1.669 1.733 1.00 0.00 N ATOM 0 H ARG A 83 0.068 5.997 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 83 0.829 6.528 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.736 4.484 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.372 4.481 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.476 4.748 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.203 3.495 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.142 2.186 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.345 3.527 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.472 2.771 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.561 2.103 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.760 1.373 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.465 1.832 1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.494 1.221 2.648 1.00 0.00 H new ATOM 1284 N CYS A 84 2.972 7.482 -3.650 1.00 0.00 N ATOM 1285 CA CYS A 84 4.234 8.189 -3.866 1.00 0.00 C ATOM 1286 C CYS A 84 4.213 9.550 -3.159 1.00 0.00 C ATOM 1287 O CYS A 84 5.251 10.045 -2.720 1.00 0.00 O ATOM 1288 CB CYS A 84 4.482 8.406 -5.362 1.00 0.00 C ATOM 1289 SG CYS A 84 6.244 8.710 -5.647 1.00 0.00 S ATOM 0 H CYS A 84 2.383 7.403 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 84 5.036 7.577 -3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.158 7.531 -5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.894 9.251 -5.720 1.00 0.00 H new ATOM 0 HG CYS A 84 6.453 8.892 -6.917 1.00 0.00 H new ATOM 1295 N MET A 85 3.017 10.147 -3.053 1.00 0.00 N ATOM 1296 CA MET A 85 2.870 11.446 -2.394 1.00 0.00 C ATOM 1297 C MET A 85 2.565 11.259 -0.905 1.00 0.00 C ATOM 1298 O MET A 85 3.291 11.760 -0.044 1.00 0.00 O ATOM 1299 CB MET A 85 1.743 12.255 -3.047 1.00 0.00 C ATOM 1300 CG MET A 85 2.049 13.752 -2.936 1.00 0.00 C ATOM 1301 SD MET A 85 1.318 14.408 -1.415 1.00 0.00 S ATOM 1302 CE MET A 85 2.846 15.047 -0.685 1.00 0.00 C ATOM 0 H MET A 85 2.147 9.753 -3.412 1.00 0.00 H new ATOM 0 HA MET A 85 3.809 11.989 -2.502 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.639 11.972 -4.095 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.793 12.031 -2.561 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.127 13.914 -2.933 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.649 14.281 -3.801 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.637 15.441 0.310 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.578 14.243 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.245 15.843 -1.314 1.00 0.00 H new ATOM 1312 N LYS A 86 1.483 10.529 -0.612 1.00 0.00 N ATOM 1313 CA LYS A 86 1.085 10.274 0.773 1.00 0.00 C ATOM 1314 C LYS A 86 1.726 8.986 1.286 1.00 0.00 C ATOM 1315 O LYS A 86 2.041 8.085 0.509 1.00 0.00 O ATOM 1316 CB LYS A 86 -0.439 10.149 0.880 1.00 0.00 C ATOM 1317 CG LYS A 86 -0.871 10.366 2.334 1.00 0.00 C ATOM 1318 CD LYS A 86 -2.329 10.830 2.375 1.00 0.00 C ATOM 1319 CE LYS A 86 -2.388 12.353 2.226 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.720 12.852 2.672 1.00 0.00 N ATOM 0 H LYS A 86 0.872 10.108 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 86 1.424 11.115 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.921 10.883 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.758 9.164 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.758 9.441 2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.229 11.109 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.895 10.354 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.791 10.528 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.599 12.816 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.214 12.633 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.639 13.849 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.401 12.770 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.050 12.286 3.479 1.00 0.00 H new ATOM 1334 N ASP A 87 1.914 8.917 2.608 1.00 0.00 N ATOM 1335 CA ASP A 87 2.521 7.740 3.243 1.00 0.00 C ATOM 1336 C ASP A 87 4.016 7.663 2.910 1.00 0.00 C ATOM 1337 O ASP A 87 4.514 6.633 2.450 1.00 0.00 O ATOM 1338 CB ASP A 87 1.819 6.451 2.783 1.00 0.00 C ATOM 1339 CG ASP A 87 2.072 5.332 3.793 1.00 0.00 C ATOM 1340 OD1 ASP A 87 1.559 5.427 4.897 1.00 0.00 O ATOM 1341 OD2 ASP A 87 2.771 4.396 3.445 1.00 0.00 O ATOM 0 H ASP A 87 1.656 9.659 3.258 1.00 0.00 H new ATOM 0 HA ASP A 87 2.401 7.839 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.748 6.626 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.188 6.156 1.801 1.00 0.00 H new ATOM 1346 N ASP A 88 4.720 8.778 3.153 1.00 0.00 N ATOM 1347 CA ASP A 88 6.161 8.868 2.886 1.00 0.00 C ATOM 1348 C ASP A 88 6.436 8.849 1.383 1.00 0.00 C ATOM 1349 O ASP A 88 6.082 7.899 0.681 1.00 0.00 O ATOM 1350 CB ASP A 88 6.928 7.717 3.555 1.00 0.00 C ATOM 1351 CG ASP A 88 8.430 7.979 3.455 1.00 0.00 C ATOM 1352 OD1 ASP A 88 8.963 8.605 4.357 1.00 0.00 O ATOM 1353 OD2 ASP A 88 9.025 7.549 2.480 1.00 0.00 O ATOM 0 H ASP A 88 4.313 9.632 3.535 1.00 0.00 H new ATOM 0 HA ASP A 88 6.508 9.812 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.632 7.628 4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.680 6.772 3.072 1.00 0.00 H new ATOM 1358 N SER A 89 7.077 9.912 0.900 1.00 0.00 N ATOM 1359 CA SER A 89 7.406 10.011 -0.521 1.00 0.00 C ATOM 1360 C SER A 89 8.724 9.294 -0.817 1.00 0.00 C ATOM 1361 O SER A 89 8.721 8.430 -1.679 1.00 0.00 O ATOM 1362 CB SER A 89 7.518 11.477 -0.951 1.00 0.00 C ATOM 1363 OG SER A 89 6.235 12.087 -0.881 1.00 0.00 O ATOM 1364 OXT SER A 89 9.714 9.610 -0.174 1.00 0.00 O ATOM 0 H SER A 89 7.376 10.708 1.464 1.00 0.00 H new ATOM 0 HA SER A 89 6.603 9.535 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.220 12.005 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.909 11.541 -1.966 1.00 0.00 H new ATOM 0 HG SER A 89 5.599 11.574 -1.422 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -2.991 -7.820 -3.411 1.00 0.00 CA