USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 62 ASN : amide:sc= 0.996 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.924 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.207 K(o=1.1,f=-0.22) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.862 K(o=1.1,f=-0.22) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.125 (180deg=-1.88) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0922 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.967 K(o=0.97,f=-4.9!) USER MOD Single : A 4 TYR OH : rot 103:sc= 0.779 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.52 K(o=0.52,f=-3.1) USER MOD Single : A 23 MET CE :methyl 163:sc= -0.578 (180deg=-1.38!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0.679 (180deg=0.621) USER MOD Single : A 51 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.92) USER MOD Single : A 54 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 55 SER OG : rot 68:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -153:sc= 1.01 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0174) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -160:sc= -0.0106 USER MOD Single : A 79 SER OG : rot -130:sc= 0.0362 USER MOD Single : A 83 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Single : A 84 HIS : no HE2:sc= 0.594 K(o=0.59,f=-2.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0261 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.531 -0.741 1.417 1.00 0.00 N ATOM 2 CA MET A 1 2.955 -0.278 0.128 1.00 0.00 C ATOM 3 C MET A 1 3.213 -1.329 -0.969 1.00 0.00 C ATOM 4 O MET A 1 4.023 -2.237 -0.767 1.00 0.00 O ATOM 5 CB MET A 1 3.487 1.121 -0.249 1.00 0.00 C ATOM 6 CG MET A 1 2.389 1.955 -0.922 1.00 0.00 C ATOM 7 SD MET A 1 2.934 3.474 -1.749 1.00 0.00 S ATOM 8 CE MET A 1 4.005 2.756 -3.024 1.00 0.00 C ATOM 0 H1 MET A 1 2.764 -0.916 2.097 1.00 0.00 H new ATOM 0 H2 MET A 1 4.065 -1.620 1.263 1.00 0.00 H new ATOM 0 H3 MET A 1 4.168 -0.011 1.795 1.00 0.00 H new ATOM 0 HA MET A 1 1.875 -0.173 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.843 1.633 0.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.339 1.023 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.883 1.328 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.650 2.222 -0.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.044 3.423 -3.885 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.010 2.623 -2.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.606 1.789 -3.332 1.00 0.00 H new ATOM 20 N LEU A 2 2.515 -1.265 -2.113 1.00 0.00 N ATOM 21 CA LEU A 2 2.402 -2.371 -3.070 1.00 0.00 C ATOM 22 C LEU A 2 2.853 -1.939 -4.468 1.00 0.00 C ATOM 23 O LEU A 2 3.172 -0.771 -4.705 1.00 0.00 O ATOM 24 CB LEU A 2 0.940 -2.875 -3.093 1.00 0.00 C ATOM 25 CG LEU A 2 0.682 -4.143 -2.261 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.892 -3.931 -0.760 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.756 -4.609 -2.510 1.00 0.00 C ATOM 0 H LEU A 2 2.006 -0.429 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 2 3.058 -3.183 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.290 -2.079 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.654 -3.071 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 2 1.405 -4.895 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.694 -4.863 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.921 -3.621 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.211 -3.159 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.953 -5.508 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.450 -3.823 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.889 -4.828 -3.569 1.00 0.00 H new ATOM 39 N GLN A 3 2.851 -2.893 -5.401 1.00 0.00 N ATOM 40 CA GLN A 3 3.150 -2.722 -6.816 1.00 0.00 C ATOM 41 C GLN A 3 2.190 -3.602 -7.626 1.00 0.00 C ATOM 42 O GLN A 3 1.772 -4.653 -7.136 1.00 0.00 O ATOM 43 CB GLN A 3 4.637 -3.083 -7.030 1.00 0.00 C ATOM 44 CG GLN A 3 5.073 -3.389 -8.475 1.00 0.00 C ATOM 45 CD GLN A 3 6.571 -3.661 -8.561 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.007 -4.808 -8.644 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.381 -2.617 -8.512 1.00 0.00 N ATOM 0 H GLN A 3 2.627 -3.861 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 3 3.005 -1.696 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.244 -2.258 -6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.869 -3.952 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.523 -4.254 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.817 -2.548 -9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.995 -1.675 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.391 -2.754 -8.543 1.00 0.00 H new ATOM 56 N TYR A 4 1.897 -3.220 -8.873 1.00 0.00 N ATOM 57 CA TYR A 4 1.325 -4.120 -9.876 1.00 0.00 C ATOM 58 C TYR A 4 2.350 -4.355 -10.977 1.00 0.00 C ATOM 59 O TYR A 4 3.267 -3.552 -11.175 1.00 0.00 O ATOM 60 CB TYR A 4 -0.027 -3.627 -10.440 1.00 0.00 C ATOM 61 CG TYR A 4 -0.080 -2.305 -11.212 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.749 -2.036 -12.326 1.00 0.00 C ATOM 63 CD2 TYR A 4 -1.059 -1.356 -10.862 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.683 -0.799 -12.991 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.126 -0.116 -11.514 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.239 0.182 -12.569 1.00 0.00 C ATOM 67 OH TYR A 4 -0.271 1.411 -13.156 1.00 0.00 O ATOM 0 H TYR A 4 2.051 -2.272 -9.216 1.00 0.00 H new ATOM 0 HA TYR A 4 1.095 -5.066 -9.387 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.411 -4.406 -11.098 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.721 -3.546 -9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.441 -2.790 -12.670 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.768 -1.586 -10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.339 -0.600 -13.826 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.860 0.614 -11.207 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.027 1.457 -13.778 1.00 0.00 H new ATOM 77 N ARG A 5 2.137 -5.414 -11.754 1.00 0.00 N ATOM 78 CA ARG A 5 2.793 -5.659 -13.030 1.00 0.00 C ATOM 79 C ARG A 5 1.683 -6.170 -13.930 1.00 0.00 C ATOM 80 O ARG A 5 0.957 -7.086 -13.541 1.00 0.00 O ATOM 81 CB ARG A 5 3.926 -6.692 -12.896 1.00 0.00 C ATOM 82 CG ARG A 5 4.913 -6.334 -11.779 1.00 0.00 C ATOM 83 CD ARG A 5 6.124 -7.263 -11.772 1.00 0.00 C ATOM 84 NE ARG A 5 6.959 -6.967 -10.595 1.00 0.00 N ATOM 85 CZ ARG A 5 7.938 -7.718 -10.089 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.358 -8.815 -10.718 1.00 0.00 N ATOM 87 NH2 ARG A 5 8.489 -7.345 -8.941 1.00 0.00 N ATOM 0 H ARG A 5 1.478 -6.150 -11.501 1.00 0.00 H new ATOM 0 HA ARG A 5 3.269 -4.762 -13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.497 -7.674 -12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.462 -6.764 -13.842 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.246 -5.304 -11.905 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.407 -6.390 -10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.799 -8.303 -11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.703 -7.131 -12.686 1.00 0.00 H new ATOM 0 HE ARG A 5 6.767 -6.089 -10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.929 -9.092 -11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.108 -9.378 -10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.162 -6.502 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.240 -7.901 -8.531 1.00 0.00 H new ATOM 101 N ILE A 6 1.488 -5.546 -15.080 1.00 0.00 N ATOM 102 CA ILE A 6 0.324 -5.756 -15.925 1.00 0.00 C ATOM 103 C ILE A 6 0.863 -5.881 -17.340 1.00 0.00 C ATOM 104 O ILE A 6 1.761 -5.129 -17.726 1.00 0.00 O ATOM 105 CB ILE A 6 -0.661 -4.570 -15.768 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.202 -4.461 -14.324 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.825 -4.665 -16.772 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.974 -3.167 -14.061 1.00 0.00 C ATOM 0 H ILE A 6 2.147 -4.866 -15.460 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.238 -6.650 -15.656 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.097 -3.663 -15.985 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.853 -5.311 -14.123 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.368 -4.526 -13.625 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.496 -3.817 -16.633 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.431 -4.653 -17.788 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.373 -5.592 -16.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.325 -3.156 -13.029 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.320 -2.312 -14.231 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.828 -3.109 -14.736 1.00 0.00 H new ATOM 120 N ILE A 7 0.299 -6.801 -18.117 1.00 0.00 N ATOM 121 CA ILE A 7 0.592 -6.946 -19.532 1.00 0.00 C ATOM 122 C ILE A 7 -0.766 -6.994 -20.232 1.00 0.00 C ATOM 123 O ILE A 7 -1.684 -7.666 -19.754 1.00 0.00 O ATOM 124 CB ILE A 7 1.479 -8.186 -19.857 1.00 0.00 C ATOM 125 CG1 ILE A 7 2.057 -9.005 -18.669 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.616 -7.753 -20.795 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.279 -8.409 -17.945 1.00 0.00 C ATOM 0 H ILE A 7 -0.384 -7.475 -17.772 1.00 0.00 H new ATOM 0 HA ILE A 7 1.192 -6.108 -19.887 1.00 0.00 H new ATOM 0 HB ILE A 7 0.786 -8.889 -20.319 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.263 -9.147 -17.936 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.330 -9.994 -19.038 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.243 -8.614 -21.029 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.194 -7.350 -21.716 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.219 -6.987 -20.307 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.584 -9.075 -17.138 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.101 -8.295 -18.652 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.018 -7.435 -17.532 1.00 0.00 H new ATOM 139 N VAL A 8 -0.912 -6.257 -21.332 1.00 0.00 N ATOM 140 CA VAL A 8 -2.188 -6.052 -22.008 1.00 0.00 C ATOM 141 C VAL A 8 -2.010 -6.128 -23.519 1.00 0.00 C ATOM 142 O VAL A 8 -0.940 -5.823 -24.052 1.00 0.00 O ATOM 143 CB VAL A 8 -2.807 -4.696 -21.598 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.474 -4.800 -20.227 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.819 -3.520 -21.591 1.00 0.00 C ATOM 0 H VAL A 8 -0.133 -5.779 -21.784 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.871 -6.845 -21.704 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.544 -4.478 -22.371 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.903 -3.835 -19.957 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.263 -5.551 -20.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.732 -5.088 -19.482 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.339 -2.610 -21.292 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.013 -3.726 -20.886 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.403 -3.389 -22.590 1.00 0.00 H new ATOM 155 N ASP A 9 -3.089 -6.492 -24.205 1.00 0.00 N ATOM 156 CA ASP A 9 -3.202 -6.527 -25.654 1.00 0.00 C ATOM 157 C ASP A 9 -4.593 -6.020 -26.018 1.00 0.00 C ATOM 158 O ASP A 9 -5.538 -6.226 -25.254 1.00 0.00 O ATOM 159 CB ASP A 9 -3.032 -7.963 -26.153 1.00 0.00 C ATOM 160 CG ASP A 9 -3.139 -8.019 -27.679 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.274 -7.404 -28.340 1.00 0.00 O ATOM 162 OD2 ASP A 9 -4.038 -8.703 -28.213 1.00 0.00 O ATOM 0 H ASP A 9 -3.949 -6.784 -23.740 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.432 -5.907 -26.114 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.064 -8.352 -25.836 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.794 -8.602 -25.706 1.00 0.00 H new ATOM 167 N GLY A 10 -4.721 -5.330 -27.147 1.00 0.00 N ATOM 168 CA GLY A 10 -5.938 -4.657 -27.569 1.00 0.00 C ATOM 169 C GLY A 10 -5.536 -3.433 -28.378 1.00 0.00 C ATOM 170 O GLY A 10 -4.414 -3.379 -28.893 1.00 0.00 O ATOM 0 H GLY A 10 -3.955 -5.222 -27.812 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.556 -5.325 -28.169 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.533 -4.364 -26.704 1.00 0.00 H new ATOM 174 N ARG A 11 -6.407 -2.421 -28.458 1.00 0.00 N ATOM 175 CA ARG A 11 -5.937 -1.098 -28.854 1.00 0.00 C ATOM 176 C ARG A 11 -5.288 -0.504 -27.611 1.00 0.00 C ATOM 177 O ARG A 11 -6.000 -0.003 -26.739 1.00 0.00 O ATOM 178 CB ARG A 11 -7.064 -0.211 -29.420 1.00 0.00 C ATOM 179 CG ARG A 11 -6.523 1.122 -29.974 1.00 0.00 C ATOM 180 CD ARG A 11 -5.760 0.951 -31.295 1.00 0.00 C ATOM 181 NE ARG A 11 -5.060 2.187 -31.680 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.490 3.133 -32.523 1.00 0.00 C ATOM 183 NH1 ARG A 11 -6.706 3.070 -33.063 1.00 0.00 N ATOM 184 NH2 ARG A 11 -4.679 4.138 -32.833 1.00 0.00 N ATOM 0 H ARG A 11 -7.405 -2.490 -28.261 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.223 -1.165 -29.675 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.586 -0.748 -30.212 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.795 -0.009 -28.637 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.354 1.811 -30.126 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.863 1.576 -29.235 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.039 0.139 -31.197 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.456 0.666 -32.084 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.145 2.340 -31.257 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.325 2.292 -32.836 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.018 3.800 -33.704 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.743 4.181 -32.430 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.992 4.867 -33.474 1.00 0.00 H new ATOM 198 N VAL A 12 -3.959 -0.594 -27.535 1.00 0.00 N ATOM 199 CA VAL A 12 -3.151 -0.105 -26.419 1.00 0.00 C ATOM 200 C VAL A 12 -1.948 0.702 -26.945 1.00 0.00 C ATOM 201 O VAL A 12 -1.008 0.969 -26.201 1.00 0.00 O ATOM 202 CB VAL A 12 -2.761 -1.290 -25.489 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.991 -1.873 -24.774 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.038 -2.449 -26.207 1.00 0.00 C ATOM 0 H VAL A 12 -3.399 -1.023 -28.272 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.729 0.587 -25.806 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.065 -0.850 -24.775 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.682 -2.699 -24.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.460 -1.098 -24.167 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.704 -2.236 -25.514 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.802 -3.233 -25.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.684 -2.854 -26.986 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.116 -2.080 -26.656 1.00 0.00 H new ATOM 214 N GLN A 13 -1.928 1.073 -28.233 1.00 0.00 N ATOM 215 CA GLN A 13 -0.831 1.792 -28.883 1.00 0.00 C ATOM 216 C GLN A 13 -1.407 2.741 -29.942 1.00 0.00 C ATOM 217 O GLN A 13 -2.517 2.507 -30.425 1.00 0.00 O ATOM 218 CB GLN A 13 0.120 0.797 -29.580 1.00 0.00 C ATOM 219 CG GLN A 13 0.896 -0.182 -28.682 1.00 0.00 C ATOM 220 CD GLN A 13 2.036 0.489 -27.920 1.00 0.00 C ATOM 221 OE1 GLN A 13 3.207 0.311 -28.239 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.739 1.267 -26.894 1.00 0.00 N ATOM 0 H GLN A 13 -2.701 0.873 -28.868 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.281 2.352 -28.127 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.465 0.213 -30.290 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.844 1.371 -30.159 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.208 -0.638 -27.970 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.300 -0.988 -29.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.765 1.414 -26.630 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.484 1.721 -26.366 1.00 0.00 H new ATOM 231 N GLY A 14 -0.710 3.809 -30.345 1.00 0.00 N ATOM 232 CA GLY A 14 0.609 4.245 -29.889 1.00 0.00 C ATOM 233 C GLY A 14 0.468 5.430 -28.941 1.00 0.00 C ATOM 234 O GLY A 14 -0.120 5.291 -27.866 1.00 0.00 O ATOM 0 H GLY A 14 -1.086 4.439 -31.054 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.118 3.424 -29.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.224 4.524 -30.744 1.00 0.00 H new ATOM 238 N VAL A 15 1.010 6.585 -29.335 1.00 0.00 N ATOM 239 CA VAL A 15 0.929 7.833 -28.576 1.00 0.00 C ATOM 240 C VAL A 15 -0.549 8.151 -28.296 1.00 0.00 C ATOM 241 O VAL A 15 -1.419 7.899 -29.134 1.00 0.00 O ATOM 242 CB VAL A 15 1.658 8.962 -29.347 1.00 0.00 C ATOM 243 CG1 VAL A 15 1.686 10.281 -28.561 1.00 0.00 C ATOM 244 CG2 VAL A 15 3.115 8.578 -29.669 1.00 0.00 C ATOM 0 H VAL A 15 1.528 6.679 -30.209 1.00 0.00 H new ATOM 0 HA VAL A 15 1.431 7.738 -27.613 1.00 0.00 H new ATOM 0 HB VAL A 15 1.091 9.099 -30.268 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.208 11.041 -29.143 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.665 10.610 -28.366 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.205 10.130 -27.615 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.595 9.393 -30.210 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.655 8.390 -28.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.127 7.678 -30.284 1.00 0.00 H new ATOM 254 N GLY A 16 -0.843 8.666 -27.098 1.00 0.00 N ATOM 255 CA GLY A 16 -2.203 8.880 -26.610 1.00 0.00 C ATOM 256 C GLY A 16 -2.789 7.569 -26.092 1.00 0.00 C ATOM 257 O GLY A 16 -3.116 7.451 -24.909 1.00 0.00 O ATOM 0 H GLY A 16 -0.126 8.950 -26.430 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.199 9.625 -25.814 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.827 9.274 -27.412 1.00 0.00 H new ATOM 261 N PHE A 17 -2.820 6.548 -26.947 1.00 0.00 N ATOM 262 CA PHE A 17 -3.398 5.243 -26.654 1.00 0.00 C ATOM 263 C PHE A 17 -2.632 4.450 -25.584 1.00 0.00 C ATOM 264 O PHE A 17 -3.235 3.561 -24.983 1.00 0.00 O ATOM 265 CB PHE A 17 -3.565 4.447 -27.948 1.00 0.00 C ATOM 266 CG PHE A 17 -4.670 4.960 -28.855 1.00 0.00 C ATOM 267 CD1 PHE A 17 -4.411 5.975 -29.799 1.00 0.00 C ATOM 268 CD2 PHE A 17 -5.971 4.434 -28.746 1.00 0.00 C ATOM 269 CE1 PHE A 17 -5.449 6.467 -30.611 1.00 0.00 C ATOM 270 CE2 PHE A 17 -7.006 4.915 -29.566 1.00 0.00 C ATOM 271 CZ PHE A 17 -6.746 5.937 -30.496 1.00 0.00 C ATOM 0 H PHE A 17 -2.432 6.610 -27.888 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.380 5.420 -26.215 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.623 4.464 -28.496 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.770 3.406 -27.697 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.413 6.376 -29.899 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.175 3.655 -28.027 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.249 7.253 -31.324 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.000 4.500 -29.482 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.542 6.314 -31.121 1.00 0.00 H new ATOM 281 N ARG A 18 -1.374 4.796 -25.268 1.00 0.00 N ATOM 282 CA ARG A 18 -0.736 4.418 -23.993 1.00 0.00 C ATOM 283 C ARG A 18 -0.422 5.603 -23.071 1.00 0.00 C ATOM 284 O ARG A 18 0.126 5.393 -21.993 1.00 0.00 O ATOM 285 CB ARG A 18 0.507 3.540 -24.208 1.00 0.00 C ATOM 286 CG ARG A 18 1.677 4.248 -24.910 1.00 0.00 C ATOM 287 CD ARG A 18 2.978 3.491 -24.637 1.00 0.00 C ATOM 288 NE ARG A 18 4.066 3.939 -25.524 1.00 0.00 N ATOM 289 CZ ARG A 18 5.364 3.664 -25.348 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.751 2.906 -24.327 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.272 4.154 -26.184 1.00 0.00 N ATOM 0 H ARG A 18 -0.772 5.342 -25.884 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.488 3.826 -23.471 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.849 3.174 -23.240 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.222 2.667 -24.796 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.493 4.298 -25.983 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.761 5.274 -24.553 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.273 3.637 -23.598 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.813 2.422 -24.775 1.00 0.00 H new ATOM 0 HE ARG A 18 3.810 4.502 -26.335 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.059 2.534 -23.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.740 2.697 -24.193 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.981 4.743 -26.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.260 3.942 -26.046 1.00 0.00 H new ATOM 305 N TYR A 19 -0.750 6.839 -23.448 1.00 0.00 N ATOM 306 CA TYR A 19 -0.657 7.961 -22.514 1.00 0.00 C ATOM 307 C TYR A 19 -1.798 7.882 -21.497 1.00 0.00 C ATOM 308 O TYR A 19 -1.605 8.245 -20.333 1.00 0.00 O ATOM 309 CB TYR A 19 -0.691 9.296 -23.268 1.00 0.00 C ATOM 310 CG TYR A 19 -0.357 10.494 -22.399 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.986 10.788 -22.097 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.386 11.308 -21.885 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.306 11.883 -21.276 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.071 12.416 -21.075 1.00 0.00 C ATOM 315 CZ TYR A 19 0.277 12.703 -20.759 1.00 0.00 C ATOM 316 OH TYR A 19 0.598 13.766 -19.967 1.00 0.00 O ATOM 0 H TYR A 19 -1.078 7.087 -24.381 1.00 0.00 H new ATOM 0 HA TYR A 19 0.293 7.902 -21.982 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.014 9.253 -24.098 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.683 9.435 -23.698 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.775 10.169 -22.498 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.417 11.082 -22.113 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.338 12.098 -21.040 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.860 13.048 -20.695 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.221 14.229 -19.694 1.00 0.00 H new ATOM 326 N PHE A 20 -2.977 7.385 -21.903 1.00 0.00 N ATOM 327 CA PHE A 20 -4.136 7.365 -21.014 1.00 0.00 C ATOM 328 C PHE A 20 -3.850 6.615 -19.714 1.00 0.00 C ATOM 329 O PHE A 20 -4.262 7.087 -18.659 1.00 0.00 O ATOM 330 CB PHE A 20 -5.403 6.821 -21.698 1.00 0.00 C ATOM 331 CG PHE A 20 -5.618 5.322 -21.557 1.00 0.00 C ATOM 332 CD1 PHE A 20 -4.940 4.438 -22.410 1.00 0.00 C ATOM 333 CD2 PHE A 20 -6.438 4.803 -20.533 1.00 0.00 C ATOM 334 CE1 PHE A 20 -5.098 3.049 -22.264 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.621 3.414 -20.402 1.00 0.00 C ATOM 336 CZ PHE A 20 -5.958 2.536 -21.277 1.00 0.00 C ATOM 0 H PHE A 20 -3.146 6.997 -22.831 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.333 8.407 -20.761 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.270 7.337 -21.286 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.359 7.068 -22.759 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.293 4.827 -23.183 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.928 5.476 -19.845 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.558 2.374 -22.911 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.269 3.024 -19.631 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.109 1.470 -21.191 1.00 0.00 H new ATOM 346 N VAL A 21 -3.113 5.497 -19.747 1.00 0.00 N ATOM 347 CA VAL A 21 -2.783 4.793 -18.521 1.00 0.00 C ATOM 348 C VAL A 21 -1.960 5.686 -17.599 1.00 0.00 C ATOM 349 O VAL A 21 -2.202 5.691 -16.398 1.00 0.00 O ATOM 350 CB VAL A 21 -2.091 3.445 -18.790 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.122 2.408 -19.245 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.952 3.462 -19.814 1.00 0.00 C ATOM 0 H VAL A 21 -2.744 5.074 -20.598 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.717 4.554 -18.013 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.633 3.191 -17.834 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.623 1.457 -19.433 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.873 2.276 -18.466 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.604 2.752 -20.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.542 2.457 -19.919 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.334 3.801 -20.777 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.168 4.140 -19.475 1.00 0.00 H new ATOM 362 N GLN A 22 -1.058 6.510 -18.124 1.00 0.00 N ATOM 363 CA GLN A 22 -0.253 7.365 -17.271 1.00 0.00 C ATOM 364 C GLN A 22 -1.084 8.537 -16.734 1.00 0.00 C ATOM 365 O GLN A 22 -0.850 8.973 -15.604 1.00 0.00 O ATOM 366 CB GLN A 22 1.028 7.772 -18.002 1.00 0.00 C ATOM 367 CG GLN A 22 1.858 6.589 -18.552 1.00 0.00 C ATOM 368 CD GLN A 22 2.118 5.430 -17.569 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.208 4.750 -17.109 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.363 5.129 -17.238 1.00 0.00 N ATOM 0 H GLN A 22 -0.871 6.601 -19.123 1.00 0.00 H new ATOM 0 HA GLN A 22 0.068 6.818 -16.384 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.765 8.430 -18.830 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.652 8.351 -17.320 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.347 6.189 -19.428 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.820 6.973 -18.892 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.137 5.681 -17.608 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.549 4.345 -16.612 1.00 0.00 H new ATOM 379 N MET A 23 -2.115 8.979 -17.467 1.00 0.00 N ATOM 380 CA MET A 23 -3.114 9.894 -16.902 1.00 0.00 C ATOM 381 C MET A 23 -3.849 9.233 -15.731 1.00 0.00 C ATOM 382 O MET A 23 -3.962 9.824 -14.658 1.00 0.00 O ATOM 383 CB MET A 23 -4.167 10.347 -17.925 1.00 0.00 C ATOM 384 CG MET A 23 -3.613 11.018 -19.181 1.00 0.00 C ATOM 385 SD MET A 23 -4.866 11.923 -20.141 1.00 0.00 S ATOM 386 CE MET A 23 -6.048 10.613 -20.589 1.00 0.00 C ATOM 0 H MET A 23 -2.278 8.721 -18.440 1.00 0.00 H new ATOM 0 HA MET A 23 -2.556 10.770 -16.572 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.754 9.479 -18.226 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.851 11.040 -17.435 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.820 11.708 -18.894 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.159 10.259 -19.818 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.989 11.064 -20.904 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.640 10.018 -21.406 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.224 9.971 -19.726 1.00 0.00 H new ATOM 396 N GLU A 24 -4.352 8.010 -15.918 1.00 0.00 N ATOM 397 CA GLU A 24 -5.131 7.294 -14.913 1.00 0.00 C ATOM 398 C GLU A 24 -4.255 6.958 -13.698 1.00 0.00 C ATOM 399 O GLU A 24 -4.733 7.007 -12.565 1.00 0.00 O ATOM 400 CB GLU A 24 -5.747 6.033 -15.547 1.00 0.00 C ATOM 401 CG GLU A 24 -6.811 6.338 -16.622 1.00 0.00 C ATOM 402 CD GLU A 24 -8.076 6.966 -16.024 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.877 6.232 -15.402 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.264 8.196 -16.147 1.00 0.00 O ATOM 0 H GLU A 24 -4.226 7.485 -16.784 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.944 7.926 -14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.952 5.436 -15.994 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.199 5.426 -14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.389 7.013 -17.367 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.075 5.417 -17.141 1.00 0.00 H new ATOM 411 N ALA A 25 -2.969 6.677 -13.927 1.00 0.00 N ATOM 412 CA ALA A 25 -1.961 6.455 -12.904 1.00 0.00 C ATOM 413 C ALA A 25 -1.794 7.713 -12.057 1.00 0.00 C ATOM 414 O ALA A 25 -1.882 7.644 -10.832 1.00 0.00 O ATOM 415 CB ALA A 25 -0.634 6.077 -13.578 1.00 0.00 C ATOM 0 H ALA A 25 -2.593 6.596 -14.872 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.273 5.641 -12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.127 5.909 -12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.769 5.167 -14.162 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.316 6.886 -14.235 1.00 0.00 H new ATOM 421 N ASP A 26 -1.597 8.866 -12.699 1.00 0.00 N ATOM 422 CA ASP A 26 -1.451 10.149 -12.005 1.00 0.00 C ATOM 423 C ASP A 26 -2.710 10.492 -11.207 1.00 0.00 C ATOM 424 O ASP A 26 -2.630 10.904 -10.050 1.00 0.00 O ATOM 425 CB ASP A 26 -1.149 11.274 -12.998 1.00 0.00 C ATOM 426 CG ASP A 26 -1.097 12.633 -12.280 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.095 12.916 -11.586 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.048 13.432 -12.425 1.00 0.00 O ATOM 0 H ASP A 26 -1.534 8.938 -13.715 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.615 10.052 -11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.197 11.082 -13.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.914 11.296 -13.774 1.00 0.00 H new ATOM 433 N LYS A 27 -3.884 10.234 -11.787 1.00 0.00 N ATOM 434 CA LYS A 27 -5.189 10.375 -11.144 1.00 0.00 C ATOM 435 C LYS A 27 -5.355 9.446 -9.933 1.00 0.00 C ATOM 436 O LYS A 27 -6.256 9.662 -9.119 1.00 0.00 O ATOM 437 CB LYS A 27 -6.248 10.196 -12.248 1.00 0.00 C ATOM 438 CG LYS A 27 -7.726 10.231 -11.821 1.00 0.00 C ATOM 439 CD LYS A 27 -8.348 8.849 -11.552 1.00 0.00 C ATOM 440 CE LYS A 27 -8.320 7.962 -12.801 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.347 6.891 -12.785 1.00 0.00 N ATOM 0 H LYS A 27 -3.953 9.910 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.306 11.363 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.094 10.976 -12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.062 9.242 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.816 10.837 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.304 10.730 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.806 8.357 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.378 8.972 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.468 8.585 -13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.333 7.508 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.390 6.437 -13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.098 6.182 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.274 7.303 -12.557 1.00 0.00 H new ATOM 455 N ARG A 28 -4.503 8.431 -9.755 1.00 0.00 N ATOM 456 CA ARG A 28 -4.450 7.562 -8.573 1.00 0.00 C ATOM 457 C ARG A 28 -3.104 7.711 -7.843 1.00 0.00 C ATOM 458 O ARG A 28 -2.735 6.829 -7.071 1.00 0.00 O ATOM 459 CB ARG A 28 -4.744 6.099 -8.988 1.00 0.00 C ATOM 460 CG ARG A 28 -6.156 5.776 -9.514 1.00 0.00 C ATOM 461 CD ARG A 28 -7.296 5.933 -8.491 1.00 0.00 C ATOM 462 NE ARG A 28 -7.615 7.345 -8.218 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.590 7.827 -7.442 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.435 7.013 -6.814 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.694 9.145 -7.316 1.00 0.00 N ATOM 0 H ARG A 28 -3.805 8.182 -10.456 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.220 7.865 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.026 5.818 -9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.553 5.460 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.364 6.423 -10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.161 4.751 -9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.187 5.428 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.016 5.440 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.021 8.037 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.344 6.003 -6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.173 7.399 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.040 9.757 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.428 9.545 -6.731 1.00 0.00 H new ATOM 479 N LYS A 29 -2.380 8.821 -8.058 1.00 0.00 N ATOM 480 CA LYS A 29 -1.054 9.136 -7.508 1.00 0.00 C ATOM 481 C LYS A 29 -0.062 7.962 -7.545 1.00 0.00 C ATOM 482 O LYS A 29 0.812 7.849 -6.683 1.00 0.00 O ATOM 483 CB LYS A 29 -1.169 9.852 -6.144 1.00 0.00 C ATOM 484 CG LYS A 29 -1.780 9.015 -5.006 1.00 0.00 C ATOM 485 CD LYS A 29 -1.713 9.767 -3.670 1.00 0.00 C ATOM 486 CE LYS A 29 -2.336 8.917 -2.555 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.297 9.602 -1.238 1.00 0.00 N ATOM 0 H LYS A 29 -2.728 9.569 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.591 9.854 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.174 10.177 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.772 10.751 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.817 8.778 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.248 8.068 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.676 9.998 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.241 10.717 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.370 8.686 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.805 7.968 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.728 8.991 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.309 9.800 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.826 10.496 -1.296 1.00 0.00 H new ATOM 501 N LEU A 30 -0.187 7.090 -8.545 1.00 0.00 N ATOM 502 CA LEU A 30 0.750 6.004 -8.798 1.00 0.00 C ATOM 503 C LEU A 30 2.038 6.584 -9.392 1.00 0.00 C ATOM 504 O LEU A 30 2.038 7.693 -9.935 1.00 0.00 O ATOM 505 CB LEU A 30 0.113 4.986 -9.761 1.00 0.00 C ATOM 506 CG LEU A 30 -1.164 4.291 -9.248 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.618 3.242 -10.264 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.968 3.607 -7.895 1.00 0.00 C ATOM 0 H LEU A 30 -0.958 7.122 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 30 0.990 5.491 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.123 5.495 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.853 4.220 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.916 5.069 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.521 2.751 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.827 3.726 -11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.830 2.500 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.901 3.136 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.190 2.849 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.673 4.348 -7.152 1.00 0.00 H new ATOM 520 N ALA A 31 3.125 5.812 -9.346 1.00 0.00 N ATOM 521 CA ALA A 31 4.400 6.122 -9.993 1.00 0.00 C ATOM 522 C ALA A 31 4.925 4.821 -10.593 1.00 0.00 C ATOM 523 O ALA A 31 4.768 3.771 -9.971 1.00 0.00 O ATOM 524 CB ALA A 31 5.380 6.683 -8.962 1.00 0.00 C ATOM 0 H ALA A 31 3.142 4.926 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 31 4.278 6.874 -10.773 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.328 6.912 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.967 7.592 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.544 5.945 -8.177 1.00 0.00 H new ATOM 530 N GLY A 32 5.482 4.857 -11.803 1.00 0.00 N ATOM 531 CA GLY A 32 5.692 3.645 -12.582 1.00 0.00 C ATOM 532 C GLY A 32 6.030 3.944 -14.034 1.00 0.00 C ATOM 533 O GLY A 32 6.208 5.106 -14.403 1.00 0.00 O ATOM 0 H GLY A 32 5.794 5.713 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.499 3.064 -12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.794 3.028 -12.540 1.00 0.00 H new ATOM 537 N TRP A 33 6.060 2.913 -14.879 1.00 0.00 N ATOM 538 CA TRP A 33 6.321 3.036 -16.305 1.00 0.00 C ATOM 539 C TRP A 33 5.261 2.310 -17.134 1.00 0.00 C ATOM 540 O TRP A 33 4.588 1.398 -16.644 1.00 0.00 O ATOM 541 CB TRP A 33 7.738 2.544 -16.639 1.00 0.00 C ATOM 542 CG TRP A 33 8.064 1.086 -16.444 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.602 0.057 -17.193 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.995 0.478 -15.493 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.201 -1.123 -16.808 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.090 -0.920 -15.776 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.790 0.970 -14.435 1.00 0.00 C ATOM 548 CZ2 TRP A 33 9.956 -1.770 -15.072 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.646 0.122 -13.707 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.735 -1.245 -14.027 1.00 0.00 C ATOM 0 H TRP A 33 5.900 1.951 -14.580 1.00 0.00 H new ATOM 0 HA TRP A 33 6.262 4.092 -16.570 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.935 2.790 -17.682 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.439 3.122 -16.037 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.868 0.148 -17.980 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.010 -2.030 -17.233 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.740 2.018 -14.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.023 -2.816 -15.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.238 0.523 -12.898 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.400 -1.889 -13.471 1.00 0.00 H new ATOM 561 N VAL A 34 5.170 2.686 -18.411 1.00 0.00 N ATOM 562 CA VAL A 34 4.498 1.907 -19.449 1.00 0.00 C ATOM 563 C VAL A 34 5.514 1.672 -20.568 1.00 0.00 C ATOM 564 O VAL A 34 6.312 2.561 -20.883 1.00 0.00 O ATOM 565 CB VAL A 34 3.187 2.595 -19.892 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.408 3.963 -20.549 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.377 1.720 -20.857 1.00 0.00 C ATOM 0 H VAL A 34 5.570 3.558 -18.758 1.00 0.00 H new ATOM 0 HA VAL A 34 4.172 0.933 -19.085 1.00 0.00 H new ATOM 0 HB VAL A 34 2.630 2.743 -18.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.446 4.389 -20.835 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.905 4.629 -19.844 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.031 3.844 -21.436 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.464 2.242 -21.143 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.971 1.514 -21.747 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.120 0.781 -20.368 1.00 0.00 H new ATOM 577 N LYS A 35 5.516 0.478 -21.164 1.00 0.00 N ATOM 578 CA LYS A 35 6.557 0.034 -22.088 1.00 0.00 C ATOM 579 C LYS A 35 5.926 -0.845 -23.161 1.00 0.00 C ATOM 580 O LYS A 35 4.999 -1.599 -22.872 1.00 0.00 O ATOM 581 CB LYS A 35 7.611 -0.739 -21.280 1.00 0.00 C ATOM 582 CG LYS A 35 8.946 -0.950 -22.013 1.00 0.00 C ATOM 583 CD LYS A 35 9.899 -1.814 -21.172 1.00 0.00 C ATOM 584 CE LYS A 35 9.479 -3.293 -21.206 1.00 0.00 C ATOM 585 NZ LYS A 35 9.912 -4.033 -19.997 1.00 0.00 N ATOM 0 H LYS A 35 4.784 -0.216 -21.015 1.00 0.00 H new ATOM 0 HA LYS A 35 7.037 0.879 -22.582 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.802 -0.204 -20.350 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.202 -1.712 -21.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.766 -1.430 -22.975 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.409 0.015 -22.220 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.916 -1.713 -21.550 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.905 -1.458 -20.142 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.395 -3.358 -21.299 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.904 -3.768 -22.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.665 -5.038 -20.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.941 -3.939 -19.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.434 -3.642 -19.161 1.00 0.00 H new ATOM 599 N ASN A 36 6.416 -0.763 -24.394 1.00 0.00 N ATOM 600 CA ASN A 36 6.027 -1.701 -25.451 1.00 0.00 C ATOM 601 C ASN A 36 6.752 -3.032 -25.212 1.00 0.00 C ATOM 602 O ASN A 36 7.902 -3.021 -24.770 1.00 0.00 O ATOM 603 CB ASN A 36 6.405 -1.115 -26.821 1.00 0.00 C ATOM 604 CG ASN A 36 6.058 -2.074 -27.957 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.872 -2.902 -28.349 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.852 -1.993 -28.495 1.00 0.00 N ATOM 0 H ASN A 36 7.087 -0.054 -24.690 1.00 0.00 H new ATOM 0 HA ASN A 36 4.950 -1.869 -25.435 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.883 -0.170 -26.970 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.473 -0.896 -26.842 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.586 -2.626 -29.249 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.188 -1.297 -28.156 1.00 0.00 H new ATOM 613 N ARG A 37 6.132 -4.168 -25.542 1.00 0.00 N ATOM 614 CA ARG A 37 6.822 -5.456 -25.631 1.00 0.00 C ATOM 615 C ARG A 37 6.784 -5.876 -27.092 1.00 0.00 C ATOM 616 O ARG A 37 5.722 -5.842 -27.715 1.00 0.00 O ATOM 617 CB ARG A 37 6.160 -6.508 -24.721 1.00 0.00 C ATOM 618 CG ARG A 37 6.508 -6.299 -23.238 1.00 0.00 C ATOM 619 CD ARG A 37 5.964 -7.449 -22.376 1.00 0.00 C ATOM 620 NE ARG A 37 6.511 -7.409 -21.010 1.00 0.00 N ATOM 621 CZ ARG A 37 6.591 -8.427 -20.148 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.135 -9.639 -20.457 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.138 -8.193 -18.964 1.00 0.00 N ATOM 0 H ARG A 37 5.136 -4.220 -25.755 1.00 0.00 H new ATOM 0 HA ARG A 37 7.852 -5.368 -25.287 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.078 -6.465 -24.847 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.478 -7.504 -25.030 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.590 -6.232 -23.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.091 -5.353 -22.893 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.876 -7.390 -22.335 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.214 -8.403 -22.841 1.00 0.00 H new ATOM 0 HE ARG A 37 6.867 -6.509 -20.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.712 -9.807 -21.370 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.208 -10.399 -19.781 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.481 -7.260 -18.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.216 -8.946 -18.280 1.00 0.00 H new ATOM 637 N ASP A 38 7.932 -6.300 -27.625 1.00 0.00 N ATOM 638 CA ASP A 38 8.117 -6.601 -29.050 1.00 0.00 C ATOM 639 C ASP A 38 7.181 -7.709 -29.547 1.00 0.00 C ATOM 640 O ASP A 38 6.832 -7.746 -30.728 1.00 0.00 O ATOM 641 CB ASP A 38 9.576 -6.996 -29.302 1.00 0.00 C ATOM 642 CG ASP A 38 9.828 -7.345 -30.779 1.00 0.00 C ATOM 643 OD1 ASP A 38 9.847 -6.426 -31.629 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.055 -8.536 -31.093 1.00 0.00 O ATOM 0 H ASP A 38 8.775 -6.447 -27.070 1.00 0.00 H new ATOM 0 HA ASP A 38 7.866 -5.700 -29.610 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.231 -6.176 -29.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.834 -7.851 -28.678 1.00 0.00 H new ATOM 649 N ASP A 39 6.732 -8.584 -28.640 1.00 0.00 N ATOM 650 CA ASP A 39 5.754 -9.635 -28.921 1.00 0.00 C ATOM 651 C ASP A 39 4.408 -9.066 -29.401 1.00 0.00 C ATOM 652 O ASP A 39 3.692 -9.734 -30.149 1.00 0.00 O ATOM 653 CB ASP A 39 5.554 -10.478 -27.655 1.00 0.00 C ATOM 654 CG ASP A 39 4.556 -11.624 -27.876 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.873 -12.578 -28.622 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.464 -11.588 -27.266 1.00 0.00 O ATOM 0 H ASP A 39 7.047 -8.579 -27.670 1.00 0.00 H new ATOM 0 HA ASP A 39 6.141 -10.254 -29.731 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.513 -10.889 -27.338 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.198 -9.839 -26.847 1.00 0.00 H new ATOM 661 N GLY A 40 4.077 -7.829 -29.008 1.00 0.00 N ATOM 662 CA GLY A 40 2.909 -7.072 -29.457 1.00 0.00 C ATOM 663 C GLY A 40 2.156 -6.420 -28.293 1.00 0.00 C ATOM 664 O GLY A 40 1.368 -5.496 -28.506 1.00 0.00 O ATOM 0 H GLY A 40 4.644 -7.308 -28.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.226 -6.301 -30.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.234 -7.736 -29.997 1.00 0.00 H new ATOM 668 N ARG A 41 2.368 -6.914 -27.068 1.00 0.00 N ATOM 669 CA ARG A 41 1.708 -6.428 -25.858 1.00 0.00 C ATOM 670 C ARG A 41 2.265 -5.062 -25.455 1.00 0.00 C ATOM 671 O ARG A 41 3.295 -4.602 -25.954 1.00 0.00 O ATOM 672 CB ARG A 41 1.910 -7.444 -24.708 1.00 0.00 C ATOM 673 CG ARG A 41 0.967 -8.660 -24.647 1.00 0.00 C ATOM 674 CD ARG A 41 1.055 -9.627 -25.839 1.00 0.00 C ATOM 675 NE ARG A 41 0.315 -9.147 -27.025 1.00 0.00 N ATOM 676 CZ ARG A 41 0.422 -9.626 -28.271 1.00 0.00 C ATOM 677 NH1 ARG A 41 1.259 -10.613 -28.560 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.313 -9.095 -29.239 1.00 0.00 N ATOM 0 H ARG A 41 3.018 -7.680 -26.890 1.00 0.00 H new ATOM 0 HA ARG A 41 0.642 -6.320 -26.059 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.933 -7.817 -24.767 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.821 -6.904 -23.765 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.179 -9.216 -23.734 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.059 -8.299 -24.570 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.102 -9.773 -26.105 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.663 -10.599 -25.541 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.339 -8.378 -26.881 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.837 -11.023 -27.826 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.325 -10.963 -29.516 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.953 -8.328 -29.031 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.238 -9.453 -30.191 1.00 0.00 H new ATOM 692 N VAL A 42 1.624 -4.463 -24.460 1.00 0.00 N ATOM 693 CA VAL A 42 2.151 -3.353 -23.685 1.00 0.00 C ATOM 694 C VAL A 42 2.255 -3.856 -22.247 1.00 0.00 C ATOM 695 O VAL A 42 1.453 -4.680 -21.807 1.00 0.00 O ATOM 696 CB VAL A 42 1.227 -2.134 -23.870 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.492 -0.994 -22.879 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.385 -1.593 -25.294 1.00 0.00 C ATOM 0 H VAL A 42 0.691 -4.748 -24.162 1.00 0.00 H new ATOM 0 HA VAL A 42 3.139 -3.019 -24.003 1.00 0.00 H new ATOM 0 HB VAL A 42 0.213 -2.488 -23.681 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.801 -0.174 -23.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.347 -1.356 -21.861 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.517 -0.641 -22.996 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.733 -0.730 -25.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.421 -1.295 -25.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.114 -2.369 -26.010 1.00 0.00 H new ATOM 708 N GLU A 43 3.253 -3.362 -21.527 1.00 0.00 N ATOM 709 CA GLU A 43 3.554 -3.668 -20.141 1.00 0.00 C ATOM 710 C GLU A 43 3.363 -2.380 -19.354 1.00 0.00 C ATOM 711 O GLU A 43 3.697 -1.297 -19.841 1.00 0.00 O ATOM 712 CB GLU A 43 5.013 -4.147 -20.070 1.00 0.00 C ATOM 713 CG GLU A 43 5.572 -4.356 -18.654 1.00 0.00 C ATOM 714 CD GLU A 43 7.097 -4.483 -18.695 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.603 -5.492 -19.240 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.806 -3.555 -18.238 1.00 0.00 O ATOM 0 H GLU A 43 3.914 -2.694 -21.924 1.00 0.00 H new ATOM 0 HA GLU A 43 2.911 -4.447 -19.732 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.096 -5.086 -20.617 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.641 -3.421 -20.586 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.288 -3.519 -18.017 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.138 -5.254 -18.214 1.00 0.00 H new ATOM 723 N ILE A 44 2.861 -2.500 -18.131 1.00 0.00 N ATOM 724 CA ILE A 44 2.611 -1.400 -17.228 1.00 0.00 C ATOM 725 C ILE A 44 3.083 -1.897 -15.862 1.00 0.00 C ATOM 726 O ILE A 44 2.769 -3.028 -15.476 1.00 0.00 O ATOM 727 CB ILE A 44 1.103 -1.051 -17.208 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.320 -1.374 -18.512 1.00 0.00 C ATOM 729 CG2 ILE A 44 0.960 0.430 -16.811 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.185 -1.113 -18.394 1.00 0.00 C ATOM 0 H ILE A 44 2.609 -3.405 -17.732 1.00 0.00 H new ATOM 0 HA ILE A 44 3.131 -0.490 -17.526 1.00 0.00 H new ATOM 0 HB ILE A 44 0.635 -1.706 -16.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.723 -0.774 -19.328 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.481 -2.419 -18.775 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.096 0.701 -16.790 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.394 0.586 -15.823 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.480 1.054 -17.538 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.672 -1.358 -19.338 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.601 -1.733 -17.599 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.355 -0.062 -18.161 1.00 0.00 H new ATOM 742 N LEU A 45 3.833 -1.084 -15.121 1.00 0.00 N ATOM 743 CA LEU A 45 4.383 -1.485 -13.828 1.00 0.00 C ATOM 744 C LEU A 45 4.452 -0.236 -12.974 1.00 0.00 C ATOM 745 O LEU A 45 5.047 0.747 -13.408 1.00 0.00 O ATOM 746 CB LEU A 45 5.762 -2.132 -14.054 1.00 0.00 C ATOM 747 CG LEU A 45 6.473 -2.610 -12.772 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.425 -3.762 -13.118 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.290 -1.502 -12.095 1.00 0.00 C ATOM 0 H LEU A 45 4.076 -0.133 -15.398 1.00 0.00 H new ATOM 0 HA LEU A 45 3.767 -2.226 -13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.642 -2.983 -14.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.405 -1.414 -14.562 1.00 0.00 H new ATOM 0 HG LEU A 45 5.694 -2.927 -12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.929 -4.102 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.857 -4.587 -13.548 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.167 -3.417 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.767 -1.898 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.054 -1.141 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.630 -0.679 -11.821 1.00 0.00 H new ATOM 761 N ALA A 46 3.837 -0.246 -11.790 1.00 0.00 N ATOM 762 CA ALA A 46 3.768 0.926 -10.928 1.00 0.00 C ATOM 763 C ALA A 46 3.642 0.511 -9.472 1.00 0.00 C ATOM 764 O ALA A 46 3.231 -0.612 -9.179 1.00 0.00 O ATOM 765 CB ALA A 46 2.556 1.787 -11.309 1.00 0.00 C ATOM 0 H ALA A 46 3.374 -1.069 -11.405 1.00 0.00 H new ATOM 0 HA ALA A 46 4.685 1.500 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.512 2.661 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.650 2.110 -12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.643 1.202 -11.193 1.00 0.00 H new ATOM 771 N GLU A 47 3.939 1.445 -8.574 1.00 0.00 N ATOM 772 CA GLU A 47 3.792 1.314 -7.134 1.00 0.00 C ATOM 773 C GLU A 47 2.680 2.245 -6.646 1.00 0.00 C ATOM 774 O GLU A 47 2.425 3.294 -7.249 1.00 0.00 O ATOM 775 CB GLU A 47 5.133 1.588 -6.430 1.00 0.00 C ATOM 776 CG GLU A 47 5.673 3.019 -6.610 1.00 0.00 C ATOM 777 CD GLU A 47 6.916 3.280 -5.742 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.953 2.618 -5.963 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.848 4.140 -4.834 1.00 0.00 O ATOM 0 H GLU A 47 4.306 2.357 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 47 3.506 0.292 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.016 1.390 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.876 0.884 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.922 3.183 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.893 3.736 -6.352 1.00 0.00 H new ATOM 786 N GLY A 48 2.028 1.860 -5.548 1.00 0.00 N ATOM 787 CA GLY A 48 0.974 2.628 -4.902 1.00 0.00 C ATOM 788 C GLY A 48 0.278 1.800 -3.822 1.00 0.00 C ATOM 789 O GLY A 48 0.636 0.636 -3.617 1.00 0.00 O ATOM 0 H GLY A 48 2.228 0.979 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.396 3.530 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.245 2.949 -5.646 1.00 0.00 H new ATOM 793 N PRO A 49 -0.695 2.378 -3.102 1.00 0.00 N ATOM 794 CA PRO A 49 -1.537 1.626 -2.185 1.00 0.00 C ATOM 795 C PRO A 49 -2.489 0.708 -2.964 1.00 0.00 C ATOM 796 O PRO A 49 -2.785 0.944 -4.139 1.00 0.00 O ATOM 797 CB PRO A 49 -2.269 2.680 -1.350 1.00 0.00 C ATOM 798 CG PRO A 49 -2.344 3.891 -2.280 1.00 0.00 C ATOM 799 CD PRO A 49 -1.075 3.782 -3.128 1.00 0.00 C ATOM 0 HA PRO A 49 -0.968 0.961 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.262 2.339 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.727 2.912 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.241 3.865 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.371 4.825 -1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.258 4.118 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.280 4.409 -2.724 1.00 0.00 H new ATOM 807 N GLU A 50 -2.988 -0.337 -2.299 1.00 0.00 N ATOM 808 CA GLU A 50 -3.766 -1.402 -2.930 1.00 0.00 C ATOM 809 C GLU A 50 -4.984 -0.842 -3.670 1.00 0.00 C ATOM 810 O GLU A 50 -5.218 -1.196 -4.824 1.00 0.00 O ATOM 811 CB GLU A 50 -4.183 -2.420 -1.854 1.00 0.00 C ATOM 812 CG GLU A 50 -4.828 -3.679 -2.451 1.00 0.00 C ATOM 813 CD GLU A 50 -5.277 -4.654 -1.347 1.00 0.00 C ATOM 814 OE1 GLU A 50 -4.477 -5.518 -0.921 1.00 0.00 O ATOM 815 OE2 GLU A 50 -6.445 -4.576 -0.902 1.00 0.00 O ATOM 0 H GLU A 50 -2.861 -0.467 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.149 -1.901 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.308 -2.706 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.884 -1.949 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.686 -3.396 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.117 -4.176 -3.111 1.00 0.00 H new ATOM 822 N ASN A 51 -5.739 0.061 -3.036 1.00 0.00 N ATOM 823 CA ASN A 51 -6.952 0.619 -3.633 1.00 0.00 C ATOM 824 C ASN A 51 -6.637 1.432 -4.890 1.00 0.00 C ATOM 825 O ASN A 51 -7.392 1.358 -5.858 1.00 0.00 O ATOM 826 CB ASN A 51 -7.745 1.468 -2.623 1.00 0.00 C ATOM 827 CG ASN A 51 -7.117 2.834 -2.346 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.954 2.925 -1.966 1.00 0.00 O ATOM 829 ND2 ASN A 51 -7.849 3.917 -2.545 1.00 0.00 N ATOM 0 H ASN A 51 -5.528 0.421 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.578 -0.225 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.758 1.613 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.828 0.919 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.448 4.841 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.815 3.829 -2.861 1.00 0.00 H new ATOM 836 N ALA A 52 -5.529 2.177 -4.908 1.00 0.00 N ATOM 837 CA ALA A 52 -5.110 2.958 -6.062 1.00 0.00 C ATOM 838 C ALA A 52 -4.746 2.023 -7.215 1.00 0.00 C ATOM 839 O ALA A 52 -5.216 2.209 -8.341 1.00 0.00 O ATOM 840 CB ALA A 52 -3.913 3.829 -5.664 1.00 0.00 C ATOM 0 H ALA A 52 -4.896 2.252 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.923 3.603 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.591 4.419 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.203 4.497 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.093 3.191 -5.334 1.00 0.00 H new ATOM 846 N LEU A 53 -3.942 0.998 -6.918 1.00 0.00 N ATOM 847 CA LEU A 53 -3.487 0.020 -7.898 1.00 0.00 C ATOM 848 C LEU A 53 -4.679 -0.717 -8.507 1.00 0.00 C ATOM 849 O LEU A 53 -4.774 -0.839 -9.726 1.00 0.00 O ATOM 850 CB LEU A 53 -2.510 -0.965 -7.229 1.00 0.00 C ATOM 851 CG LEU A 53 -1.154 -0.350 -6.822 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.417 -1.348 -5.931 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.241 -0.009 -8.002 1.00 0.00 C ATOM 0 H LEU A 53 -3.587 0.826 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.965 0.534 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.986 -1.382 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.327 -1.795 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.381 0.586 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.544 -0.929 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.014 -1.552 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.255 -2.275 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.690 0.418 -7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.024 -0.915 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.738 0.713 -8.650 1.00 0.00 H new ATOM 865 N GLN A 54 -5.611 -1.181 -7.675 1.00 0.00 N ATOM 866 CA GLN A 54 -6.768 -1.931 -8.142 1.00 0.00 C ATOM 867 C GLN A 54 -7.742 -1.044 -8.919 1.00 0.00 C ATOM 868 O GLN A 54 -8.267 -1.481 -9.942 1.00 0.00 O ATOM 869 CB GLN A 54 -7.457 -2.654 -6.973 1.00 0.00 C ATOM 870 CG GLN A 54 -6.605 -3.801 -6.393 1.00 0.00 C ATOM 871 CD GLN A 54 -6.273 -4.889 -7.421 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.152 -5.436 -8.083 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.002 -5.219 -7.596 1.00 0.00 N ATOM 0 H GLN A 54 -5.583 -1.047 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.415 -2.691 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.674 -1.934 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.413 -3.053 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.677 -3.390 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.137 -4.252 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.276 -4.762 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.750 -5.930 -8.283 1.00 0.00 H new ATOM 882 N SER A 55 -7.946 0.206 -8.499 1.00 0.00 N ATOM 883 CA SER A 55 -8.784 1.146 -9.245 1.00 0.00 C ATOM 884 C SER A 55 -8.208 1.368 -10.647 1.00 0.00 C ATOM 885 O SER A 55 -8.950 1.353 -11.632 1.00 0.00 O ATOM 886 CB SER A 55 -8.908 2.479 -8.497 1.00 0.00 C ATOM 887 OG SER A 55 -9.473 2.301 -7.213 1.00 0.00 O ATOM 0 H SER A 55 -7.542 0.591 -7.645 1.00 0.00 H new ATOM 0 HA SER A 55 -9.782 0.718 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.924 2.937 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.525 3.166 -9.075 1.00 0.00 H new ATOM 0 HG SER A 55 -8.848 1.802 -6.647 1.00 0.00 H new ATOM 893 N PHE A 56 -6.883 1.519 -10.753 1.00 0.00 N ATOM 894 CA PHE A 56 -6.210 1.596 -12.036 1.00 0.00 C ATOM 895 C PHE A 56 -6.460 0.323 -12.855 1.00 0.00 C ATOM 896 O PHE A 56 -6.830 0.441 -14.020 1.00 0.00 O ATOM 897 CB PHE A 56 -4.717 1.879 -11.833 1.00 0.00 C ATOM 898 CG PHE A 56 -3.941 1.781 -13.126 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.460 0.527 -13.554 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.790 2.913 -13.949 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.830 0.401 -14.800 1.00 0.00 C ATOM 902 CE2 PHE A 56 -3.190 2.768 -15.209 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.704 1.521 -15.632 1.00 0.00 C ATOM 0 H PHE A 56 -6.258 1.590 -9.950 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.622 2.426 -12.610 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.591 2.875 -11.409 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.309 1.172 -11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.577 -0.339 -12.920 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.132 3.881 -13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.443 -0.556 -15.117 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.101 3.625 -15.860 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.233 1.425 -16.599 1.00 0.00 H new ATOM 913 N VAL A 57 -6.313 -0.879 -12.282 1.00 0.00 N ATOM 914 CA VAL A 57 -6.559 -2.126 -13.015 1.00 0.00 C ATOM 915 C VAL A 57 -7.975 -2.118 -13.608 1.00 0.00 C ATOM 916 O VAL A 57 -8.137 -2.434 -14.789 1.00 0.00 O ATOM 917 CB VAL A 57 -6.303 -3.350 -12.100 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.801 -4.674 -12.703 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.807 -3.526 -11.800 1.00 0.00 C ATOM 0 H VAL A 57 -6.025 -1.013 -11.313 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.861 -2.203 -13.849 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.863 -3.135 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.591 -5.490 -12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.875 -4.613 -12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.290 -4.858 -13.648 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.665 -4.394 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.264 -3.674 -12.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.429 -2.635 -11.298 1.00 0.00 H new ATOM 929 N GLU A 58 -8.989 -1.711 -12.836 1.00 0.00 N ATOM 930 CA GLU A 58 -10.360 -1.637 -13.329 1.00 0.00 C ATOM 931 C GLU A 58 -10.476 -0.624 -14.469 1.00 0.00 C ATOM 932 O GLU A 58 -11.154 -0.890 -15.461 1.00 0.00 O ATOM 933 CB GLU A 58 -11.337 -1.283 -12.197 1.00 0.00 C ATOM 934 CG GLU A 58 -11.445 -2.402 -11.156 1.00 0.00 C ATOM 935 CD GLU A 58 -12.523 -2.094 -10.102 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.226 -1.429 -9.085 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.685 -2.533 -10.271 1.00 0.00 O ATOM 0 H GLU A 58 -8.880 -1.427 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.627 -2.621 -13.714 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.008 -0.365 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.322 -1.085 -12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.681 -3.342 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.482 -2.536 -10.664 1.00 0.00 H new ATOM 944 N ALA A 59 -9.787 0.512 -14.355 1.00 0.00 N ATOM 945 CA ALA A 59 -9.772 1.547 -15.382 1.00 0.00 C ATOM 946 C ALA A 59 -9.208 1.012 -16.706 1.00 0.00 C ATOM 947 O ALA A 59 -9.786 1.278 -17.763 1.00 0.00 O ATOM 948 CB ALA A 59 -8.985 2.765 -14.884 1.00 0.00 C ATOM 0 H ALA A 59 -9.219 0.739 -13.539 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.798 1.858 -15.579 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.978 3.534 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.456 3.159 -13.984 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.961 2.469 -14.658 1.00 0.00 H new ATOM 954 N VAL A 60 -8.120 0.230 -16.670 1.00 0.00 N ATOM 955 CA VAL A 60 -7.576 -0.388 -17.881 1.00 0.00 C ATOM 956 C VAL A 60 -8.580 -1.408 -18.421 1.00 0.00 C ATOM 957 O VAL A 60 -8.933 -1.357 -19.600 1.00 0.00 O ATOM 958 CB VAL A 60 -6.200 -1.052 -17.637 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.566 -1.497 -18.963 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.212 -0.104 -16.956 1.00 0.00 C ATOM 0 H VAL A 60 -7.603 0.013 -15.818 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.414 0.398 -18.618 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.391 -1.907 -16.989 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.599 -1.961 -18.767 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.220 -2.216 -19.456 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.428 -0.630 -19.609 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.261 -0.616 -16.806 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.057 0.773 -17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.613 0.207 -15.991 1.00 0.00 H new ATOM 970 N LYS A 61 -9.071 -2.313 -17.565 1.00 0.00 N ATOM 971 CA LYS A 61 -9.959 -3.399 -17.973 1.00 0.00 C ATOM 972 C LYS A 61 -11.226 -2.855 -18.636 1.00 0.00 C ATOM 973 O LYS A 61 -11.691 -3.425 -19.623 1.00 0.00 O ATOM 974 CB LYS A 61 -10.265 -4.273 -16.745 1.00 0.00 C ATOM 975 CG LYS A 61 -11.037 -5.550 -17.111 1.00 0.00 C ATOM 976 CD LYS A 61 -11.214 -6.456 -15.885 1.00 0.00 C ATOM 977 CE LYS A 61 -11.992 -7.722 -16.276 1.00 0.00 C ATOM 978 NZ LYS A 61 -12.199 -8.633 -15.123 1.00 0.00 N ATOM 0 H LYS A 61 -8.860 -2.309 -16.567 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.470 -4.018 -18.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.330 -4.545 -16.254 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.846 -3.694 -16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.014 -5.285 -17.516 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.503 -6.090 -17.893 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.239 -6.729 -15.480 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.747 -5.920 -15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.959 -7.438 -16.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.451 -8.250 -17.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.728 -9.473 -15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.277 -8.926 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.738 -8.139 -14.383 1.00 0.00 H new ATOM 992 N ASN A 62 -11.767 -1.745 -18.126 1.00 0.00 N ATOM 993 CA ASN A 62 -12.954 -1.103 -18.683 1.00 0.00 C ATOM 994 C ASN A 62 -12.691 -0.462 -20.052 1.00 0.00 C ATOM 995 O ASN A 62 -13.635 -0.292 -20.824 1.00 0.00 O ATOM 996 CB ASN A 62 -13.480 -0.043 -17.706 1.00 0.00 C ATOM 997 CG ASN A 62 -14.804 0.543 -18.193 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.808 -0.158 -18.288 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.844 1.826 -18.504 1.00 0.00 N ATOM 0 H ASN A 62 -11.388 -1.266 -17.309 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.702 -1.882 -18.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.616 -0.488 -16.720 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.744 0.754 -17.597 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.716 2.245 -18.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.003 2.397 -18.421 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.438 -0.111 -20.374 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.093 0.580 -21.614 1.00 0.00 C ATOM 1008 C GLY A 63 -11.847 1.905 -21.748 1.00 0.00 C ATOM 1009 O GLY A 63 -12.452 2.174 -22.787 1.00 0.00 O ATOM 0 H GLY A 63 -10.635 -0.302 -19.775 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.020 0.767 -21.641 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.326 -0.060 -22.465 1.00 0.00 H new ATOM 1013 N SER A 64 -11.902 2.684 -20.662 1.00 0.00 N ATOM 1014 CA SER A 64 -12.804 3.821 -20.528 1.00 0.00 C ATOM 1015 C SER A 64 -12.686 4.887 -21.642 1.00 0.00 C ATOM 1016 O SER A 64 -13.732 5.256 -22.186 1.00 0.00 O ATOM 1017 CB SER A 64 -12.645 4.439 -19.129 1.00 0.00 C ATOM 1018 OG SER A 64 -12.512 3.424 -18.143 1.00 0.00 O ATOM 0 H SER A 64 -11.311 2.536 -19.844 1.00 0.00 H new ATOM 0 HA SER A 64 -13.813 3.428 -20.651 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.769 5.088 -19.110 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.509 5.063 -18.901 1.00 0.00 H new ATOM 0 HG SER A 64 -12.411 3.837 -17.260 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.495 5.420 -21.994 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.434 6.654 -22.775 1.00 0.00 C ATOM 1026 C PRO A 65 -11.512 6.423 -24.293 1.00 0.00 C ATOM 1027 O PRO A 65 -12.307 7.086 -24.963 1.00 0.00 O ATOM 1028 CB PRO A 65 -10.119 7.314 -22.360 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.211 6.138 -22.009 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.176 5.084 -21.464 1.00 0.00 C ATOM 0 HA PRO A 65 -12.298 7.287 -22.571 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.701 7.914 -23.168 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.258 7.980 -21.508 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.672 5.773 -22.884 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.463 6.417 -21.267 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.875 4.084 -21.776 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.182 5.090 -20.374 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.701 5.509 -24.843 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.615 5.226 -26.280 1.00 0.00 C ATOM 1040 C PHE A 66 -9.851 3.919 -26.519 1.00 0.00 C ATOM 1041 O PHE A 66 -10.319 3.068 -27.277 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.959 6.392 -27.061 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.888 7.206 -26.342 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.571 6.722 -26.213 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.212 8.471 -25.810 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.609 7.469 -25.511 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.241 9.227 -25.128 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.941 8.720 -24.967 1.00 0.00 C ATOM 0 H PHE A 66 -10.071 4.932 -24.286 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.632 5.117 -26.656 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.517 5.982 -27.969 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.749 7.076 -27.372 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.300 5.774 -26.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.212 8.862 -25.927 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.609 7.079 -25.390 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.495 10.197 -24.728 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.200 9.290 -24.427 1.00 0.00 H new ATOM 1058 N SER A 67 -8.711 3.731 -25.850 1.00 0.00 N ATOM 1059 CA SER A 67 -8.007 2.457 -25.800 1.00 0.00 C ATOM 1060 C SER A 67 -8.896 1.405 -25.140 1.00 0.00 C ATOM 1061 O SER A 67 -9.707 1.747 -24.273 1.00 0.00 O ATOM 1062 CB SER A 67 -6.743 2.637 -24.966 1.00 0.00 C ATOM 1063 OG SER A 67 -5.971 3.708 -25.463 1.00 0.00 O ATOM 0 H SER A 67 -8.249 4.472 -25.323 1.00 0.00 H new ATOM 0 HA SER A 67 -7.754 2.132 -26.809 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.010 2.826 -23.926 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.155 1.719 -24.983 1.00 0.00 H new ATOM 0 HG SER A 67 -5.028 3.562 -25.242 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.719 0.129 -25.490 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.397 -0.963 -24.795 1.00 0.00 C ATOM 1071 C LYS A 68 -8.585 -2.235 -24.935 1.00 0.00 C ATOM 1072 O LYS A 68 -7.955 -2.459 -25.972 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.864 -1.141 -25.254 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.128 -1.907 -26.562 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.543 -1.243 -27.819 1.00 0.00 C ATOM 1076 CE LYS A 68 -10.950 -1.968 -29.112 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.391 -1.815 -29.439 1.00 0.00 N ATOM 0 H LYS A 68 -8.111 -0.172 -26.252 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.460 -0.710 -23.737 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.403 -1.650 -24.455 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.304 -0.149 -25.354 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.713 -2.911 -26.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.204 -2.018 -26.693 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.877 -0.206 -27.867 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.456 -1.225 -27.744 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.353 -1.584 -29.940 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.716 -3.028 -29.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.589 -2.268 -30.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.965 -2.266 -28.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.629 -0.804 -29.494 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.619 -3.069 -23.903 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.973 -4.367 -23.934 1.00 0.00 C ATOM 1093 C VAL A 69 -8.913 -5.376 -24.598 1.00 0.00 C ATOM 1094 O VAL A 69 -10.138 -5.237 -24.546 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.548 -4.791 -22.513 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.530 -3.790 -21.951 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.705 -4.925 -21.510 1.00 0.00 C ATOM 0 H VAL A 69 -9.095 -2.862 -23.025 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.059 -4.321 -24.527 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.116 -5.785 -22.629 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.235 -4.096 -20.947 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.651 -3.764 -22.596 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.980 -2.798 -21.910 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.312 -5.226 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.215 -3.967 -21.413 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.409 -5.677 -21.865 1.00 0.00 H new ATOM 1107 N THR A 70 -8.328 -6.423 -25.163 1.00 0.00 N ATOM 1108 CA THR A 70 -9.000 -7.638 -25.598 1.00 0.00 C ATOM 1109 C THR A 70 -8.370 -8.855 -24.892 1.00 0.00 C ATOM 1110 O THR A 70 -8.966 -9.933 -24.882 1.00 0.00 O ATOM 1111 CB THR A 70 -8.974 -7.721 -27.138 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.665 -7.543 -27.648 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.851 -6.632 -27.773 1.00 0.00 C ATOM 0 H THR A 70 -7.324 -6.449 -25.339 1.00 0.00 H new ATOM 0 HA THR A 70 -10.052 -7.628 -25.312 1.00 0.00 H new ATOM 0 HB THR A 70 -9.350 -8.713 -27.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.684 -7.603 -28.626 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.810 -6.719 -28.859 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.881 -6.753 -27.438 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.485 -5.650 -27.474 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.217 -8.679 -24.229 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.643 -9.616 -23.268 1.00 0.00 C ATOM 1123 C ASP A 71 -5.828 -8.808 -22.254 1.00 0.00 C ATOM 1124 O ASP A 71 -5.236 -7.783 -22.604 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.752 -10.645 -23.972 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.078 -11.586 -22.962 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.799 -12.268 -22.199 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.830 -11.666 -22.941 1.00 0.00 O ATOM 0 H ASP A 71 -6.642 -7.846 -24.357 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.438 -10.166 -22.765 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.350 -11.228 -24.672 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.990 -10.130 -24.556 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.813 -9.246 -20.997 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.154 -8.567 -19.890 1.00 0.00 C ATOM 1135 C ILE A 72 -4.687 -9.635 -18.897 1.00 0.00 C ATOM 1136 O ILE A 72 -5.402 -10.611 -18.647 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.103 -7.503 -19.266 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.463 -6.846 -18.020 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.512 -8.039 -18.936 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.116 -5.519 -17.603 1.00 0.00 C ATOM 0 H ILE A 72 -6.274 -10.111 -20.715 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.278 -8.012 -20.225 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.241 -6.746 -20.038 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.520 -7.544 -17.185 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.405 -6.671 -18.218 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.114 -7.239 -18.505 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.987 -8.399 -19.848 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.432 -8.858 -18.221 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.609 -5.125 -16.722 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.036 -4.802 -18.420 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.167 -5.688 -17.371 1.00 0.00 H new ATOM 1152 N SER A 73 -3.508 -9.422 -18.316 1.00 0.00 N ATOM 1153 CA SER A 73 -2.914 -10.257 -17.285 1.00 0.00 C ATOM 1154 C SER A 73 -2.349 -9.321 -16.221 1.00 0.00 C ATOM 1155 O SER A 73 -1.796 -8.269 -16.551 1.00 0.00 O ATOM 1156 CB SER A 73 -1.807 -11.129 -17.896 1.00 0.00 C ATOM 1157 OG SER A 73 -2.309 -11.952 -18.939 1.00 0.00 O ATOM 0 H SER A 73 -2.919 -8.627 -18.565 1.00 0.00 H new ATOM 0 HA SER A 73 -3.651 -10.927 -16.843 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.013 -10.491 -18.284 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.364 -11.753 -17.120 1.00 0.00 H new ATOM 0 HG SER A 73 -1.580 -12.493 -19.308 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.495 -9.697 -14.950 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.143 -8.874 -13.800 1.00 0.00 C ATOM 1165 C VAL A 74 -1.405 -9.768 -12.807 1.00 0.00 C ATOM 1166 O VAL A 74 -1.809 -10.906 -12.552 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.417 -8.257 -13.171 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -3.092 -7.358 -11.963 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.234 -7.445 -14.192 1.00 0.00 C ATOM 0 H VAL A 74 -2.872 -10.608 -14.688 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.502 -8.043 -14.095 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.014 -9.104 -12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.016 -6.948 -11.555 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.587 -7.946 -11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.442 -6.542 -12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.117 -7.032 -13.705 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.622 -6.632 -14.584 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.542 -8.095 -15.011 1.00 0.00 H new ATOM 1179 N THR A 75 -0.348 -9.218 -12.222 1.00 0.00 N ATOM 1180 CA THR A 75 0.362 -9.732 -11.066 1.00 0.00 C ATOM 1181 C THR A 75 0.477 -8.547 -10.097 1.00 0.00 C ATOM 1182 O THR A 75 0.440 -7.384 -10.516 1.00 0.00 O ATOM 1183 CB THR A 75 1.733 -10.282 -11.519 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.591 -11.161 -12.623 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.473 -11.050 -10.416 1.00 0.00 C ATOM 0 H THR A 75 0.058 -8.348 -12.566 1.00 0.00 H new ATOM 0 HA THR A 75 -0.146 -10.560 -10.573 1.00 0.00 H new ATOM 0 HB THR A 75 2.315 -9.401 -11.788 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.473 -11.494 -12.892 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.428 -11.409 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.649 -10.389 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.869 -11.899 -10.095 1.00 0.00 H new ATOM 1193 N GLU A 76 0.629 -8.818 -8.806 1.00 0.00 N ATOM 1194 CA GLU A 76 0.868 -7.804 -7.793 1.00 0.00 C ATOM 1195 C GLU A 76 2.060 -8.235 -6.944 1.00 0.00 C ATOM 1196 O GLU A 76 2.359 -9.427 -6.816 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.400 -7.531 -6.968 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.053 -8.791 -6.378 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.039 -8.441 -5.252 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -1.566 -8.087 -4.146 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.271 -8.542 -5.455 1.00 0.00 O ATOM 0 H GLU A 76 0.588 -9.765 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 76 1.115 -6.852 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.150 -6.850 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.127 -7.020 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.576 -9.333 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.280 -9.456 -5.992 1.00 0.00 H new ATOM 1208 N SER A 77 2.751 -7.243 -6.394 1.00 0.00 N ATOM 1209 CA SER A 77 4.057 -7.374 -5.767 1.00 0.00 C ATOM 1210 C SER A 77 4.142 -6.346 -4.632 1.00 0.00 C ATOM 1211 O SER A 77 3.186 -5.602 -4.388 1.00 0.00 O ATOM 1212 CB SER A 77 5.157 -7.152 -6.828 1.00 0.00 C ATOM 1213 OG SER A 77 4.898 -7.831 -8.047 1.00 0.00 O ATOM 0 H SER A 77 2.400 -6.286 -6.373 1.00 0.00 H new ATOM 0 HA SER A 77 4.200 -8.371 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.252 -6.084 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.113 -7.488 -6.427 1.00 0.00 H new ATOM 0 HG SER A 77 5.733 -7.927 -8.552 1.00 0.00 H new ATOM 1219 N ARG A 78 5.255 -6.315 -3.898 1.00 0.00 N ATOM 1220 CA ARG A 78 5.536 -5.318 -2.853 1.00 0.00 C ATOM 1221 C ARG A 78 6.947 -4.736 -3.068 1.00 0.00 C ATOM 1222 O ARG A 78 7.524 -4.132 -2.164 1.00 0.00 O ATOM 1223 CB ARG A 78 5.353 -5.934 -1.443 1.00 0.00 C ATOM 1224 CG ARG A 78 3.892 -6.209 -1.033 1.00 0.00 C ATOM 1225 CD ARG A 78 3.329 -7.537 -1.553 1.00 0.00 C ATOM 1226 NE ARG A 78 1.920 -7.758 -1.180 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.887 -7.815 -2.035 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.989 -7.419 -3.299 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.295 -8.271 -1.648 1.00 0.00 N ATOM 0 H ARG A 78 6.006 -6.996 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 78 4.822 -4.497 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.909 -6.870 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.799 -5.263 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.825 -6.201 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.265 -5.395 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.418 -7.561 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.933 -8.357 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 78 1.713 -7.878 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.875 -7.056 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.181 -7.478 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.431 -8.586 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.069 -8.307 -2.311 1.00 0.00 H new ATOM 1243 N SER A 79 7.523 -4.947 -4.256 1.00 0.00 N ATOM 1244 CA SER A 79 8.916 -4.659 -4.583 1.00 0.00 C ATOM 1245 C SER A 79 9.215 -3.156 -4.641 1.00 0.00 C ATOM 1246 O SER A 79 10.349 -2.757 -4.365 1.00 0.00 O ATOM 1247 CB SER A 79 9.224 -5.296 -5.945 1.00 0.00 C ATOM 1248 OG SER A 79 8.561 -6.547 -6.088 1.00 0.00 O ATOM 0 H SER A 79 7.008 -5.339 -5.045 1.00 0.00 H new ATOM 0 HA SER A 79 9.544 -5.073 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.912 -4.623 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.300 -5.437 -6.049 1.00 0.00 H new ATOM 0 HG SER A 79 9.203 -7.226 -6.384 1.00 0.00 H new ATOM 1254 N LEU A 80 8.202 -2.340 -4.982 1.00 0.00 N ATOM 1255 CA LEU A 80 8.323 -0.927 -5.363 1.00 0.00 C ATOM 1256 C LEU A 80 9.258 -0.747 -6.576 1.00 0.00 C ATOM 1257 O LEU A 80 9.833 -1.710 -7.089 1.00 0.00 O ATOM 1258 CB LEU A 80 8.685 -0.050 -4.138 1.00 0.00 C ATOM 1259 CG LEU A 80 7.466 0.445 -3.331 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.560 -0.686 -2.828 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.946 1.273 -2.133 1.00 0.00 C ATOM 0 H LEU A 80 7.235 -2.665 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 80 7.351 -0.568 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.337 -0.621 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.255 0.814 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 80 6.869 1.049 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.725 -0.262 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.178 -1.252 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.132 -1.349 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.085 1.622 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.578 0.656 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.518 2.130 -2.489 1.00 0.00 H new ATOM 1273 N GLU A 81 9.349 0.476 -7.099 1.00 0.00 N ATOM 1274 CA GLU A 81 10.157 0.809 -8.274 1.00 0.00 C ATOM 1275 C GLU A 81 10.848 2.184 -8.159 1.00 0.00 C ATOM 1276 O GLU A 81 11.817 2.433 -8.879 1.00 0.00 O ATOM 1277 CB GLU A 81 9.336 0.611 -9.565 1.00 0.00 C ATOM 1278 CG GLU A 81 8.124 1.536 -9.747 1.00 0.00 C ATOM 1279 CD GLU A 81 8.534 2.934 -10.229 1.00 0.00 C ATOM 1280 OE1 GLU A 81 8.965 3.069 -11.398 1.00 0.00 O ATOM 1281 OE2 GLU A 81 8.451 3.892 -9.435 1.00 0.00 O ATOM 0 H GLU A 81 8.854 1.279 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 81 10.990 0.108 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.001 0.746 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.987 -0.421 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.435 1.093 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.588 1.621 -8.802 1.00 0.00 H new ATOM 1288 N GLY A 82 10.448 3.032 -7.204 1.00 0.00 N ATOM 1289 CA GLY A 82 11.293 4.070 -6.624 1.00 0.00 C ATOM 1290 C GLY A 82 11.081 5.482 -7.174 1.00 0.00 C ATOM 1291 O GLY A 82 11.624 6.426 -6.595 1.00 0.00 O ATOM 0 H GLY A 82 9.508 3.011 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.125 4.090 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.336 3.792 -6.779 1.00 0.00 H new ATOM 1295 N HIS A 83 10.327 5.664 -8.262 1.00 0.00 N ATOM 1296 CA HIS A 83 10.018 6.989 -8.796 1.00 0.00 C ATOM 1297 C HIS A 83 8.842 7.606 -8.027 1.00 0.00 C ATOM 1298 O HIS A 83 8.196 6.953 -7.204 1.00 0.00 O ATOM 1299 CB HIS A 83 9.716 6.904 -10.304 1.00 0.00 C ATOM 1300 CG HIS A 83 10.842 6.314 -11.119 1.00 0.00 C ATOM 1301 ND1 HIS A 83 10.884 5.045 -11.646 1.00 0.00 N ATOM 1302 CD2 HIS A 83 12.011 6.934 -11.475 1.00 0.00 C ATOM 1303 CE1 HIS A 83 12.047 4.898 -12.299 1.00 0.00 C ATOM 1304 NE2 HIS A 83 12.776 6.029 -12.226 1.00 0.00 N ATOM 0 H HIS A 83 9.916 4.898 -8.795 1.00 0.00 H new ATOM 0 HA HIS A 83 10.886 7.636 -8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.819 6.303 -10.452 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.495 7.904 -10.678 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.156 4.336 -11.556 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.294 7.945 -11.221 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.356 3.999 -12.811 1.00 0.00 H new ATOM 1312 N HIS A 84 8.540 8.876 -8.319 1.00 0.00 N ATOM 1313 CA HIS A 84 7.389 9.615 -7.783 1.00 0.00 C ATOM 1314 C HIS A 84 6.579 10.247 -8.936 1.00 0.00 C ATOM 1315 O HIS A 84 5.833 11.207 -8.731 1.00 0.00 O ATOM 1316 CB HIS A 84 7.872 10.665 -6.760 1.00 0.00 C ATOM 1317 CG HIS A 84 8.552 10.125 -5.518 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.614 8.815 -5.093 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.198 10.877 -4.572 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.292 8.776 -3.934 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.668 10.017 -3.569 1.00 0.00 N ATOM 0 H HIS A 84 9.107 9.436 -8.955 1.00 0.00 H new ATOM 0 HA HIS A 84 6.722 8.931 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.564 11.341 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.014 11.261 -6.449 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.213 8.011 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.324 11.949 -4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.505 7.877 -3.374 1.00 0.00 H new ATOM 1329 N ARG A 85 6.748 9.738 -10.163 1.00 0.00 N ATOM 1330 CA ARG A 85 6.099 10.206 -11.388 1.00 0.00 C ATOM 1331 C ARG A 85 5.927 9.019 -12.337 1.00 0.00 C ATOM 1332 O ARG A 85 6.494 7.951 -12.088 1.00 0.00 O ATOM 1333 CB ARG A 85 6.882 11.390 -12.009 1.00 0.00 C ATOM 1334 CG ARG A 85 8.426 11.351 -11.965 1.00 0.00 C ATOM 1335 CD ARG A 85 9.099 10.218 -12.754 1.00 0.00 C ATOM 1336 NE ARG A 85 8.791 10.281 -14.189 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.341 11.072 -15.113 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.365 11.874 -14.823 1.00 0.00 N ATOM 1339 NH2 ARG A 85 8.828 11.048 -16.335 1.00 0.00 N ATOM 0 H ARG A 85 7.373 8.950 -10.334 1.00 0.00 H new ATOM 0 HA ARG A 85 5.106 10.600 -11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.581 11.476 -13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.558 12.302 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.803 12.302 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.737 11.275 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.179 10.271 -12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.773 9.257 -12.356 1.00 0.00 H new ATOM 0 HE ARG A 85 8.068 9.642 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.746 11.893 -13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.768 12.469 -15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.038 10.438 -16.544 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.223 11.640 -17.066 1.00 0.00 H new ATOM 1353 N PHE A 86 5.143 9.185 -13.401 1.00 0.00 N ATOM 1354 CA PHE A 86 4.976 8.161 -14.427 1.00 0.00 C ATOM 1355 C PHE A 86 6.054 8.313 -15.502 1.00 0.00 C ATOM 1356 O PHE A 86 6.581 9.411 -15.700 1.00 0.00 O ATOM 1357 CB PHE A 86 3.568 8.242 -15.037 1.00 0.00 C ATOM 1358 CG PHE A 86 3.178 9.579 -15.650 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.705 9.986 -16.895 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.218 10.384 -15.010 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.295 11.197 -17.478 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.811 11.599 -15.593 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.350 12.008 -16.826 1.00 0.00 C ATOM 0 H PHE A 86 4.606 10.035 -13.575 1.00 0.00 H new ATOM 0 HA PHE A 86 5.088 7.178 -13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.483 7.474 -15.806 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.843 7.997 -14.261 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.427 9.363 -17.402 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.792 10.069 -14.069 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.706 11.505 -18.428 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.082 12.219 -15.092 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.039 12.942 -17.270 1.00 0.00 H new ATOM 1373 N SER A 87 6.329 7.245 -16.246 1.00 0.00 N ATOM 1374 CA SER A 87 7.331 7.219 -17.305 1.00 0.00 C ATOM 1375 C SER A 87 6.830 6.382 -18.485 1.00 0.00 C ATOM 1376 O SER A 87 5.928 5.548 -18.344 1.00 0.00 O ATOM 1377 CB SER A 87 8.645 6.667 -16.732 1.00 0.00 C ATOM 1378 OG SER A 87 9.090 7.465 -15.644 1.00 0.00 O ATOM 0 H SER A 87 5.849 6.353 -16.125 1.00 0.00 H new ATOM 0 HA SER A 87 7.511 8.227 -17.678 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.500 5.639 -16.401 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.407 6.646 -17.511 1.00 0.00 H new ATOM 0 HG SER A 87 9.927 7.098 -15.290 1.00 0.00 H new ATOM 1384 N ILE A 88 7.404 6.608 -19.664 1.00 0.00 N ATOM 1385 CA ILE A 88 6.996 5.984 -20.917 1.00 0.00 C ATOM 1386 C ILE A 88 8.305 5.558 -21.587 1.00 0.00 C ATOM 1387 O ILE A 88 9.225 6.369 -21.720 1.00 0.00 O ATOM 1388 CB ILE A 88 6.141 6.967 -21.764 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.954 7.531 -20.940 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.632 6.253 -23.027 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.920 8.370 -21.702 1.00 0.00 C ATOM 0 H ILE A 88 8.189 7.250 -19.776 1.00 0.00 H new ATOM 0 HA ILE A 88 6.349 5.118 -20.780 1.00 0.00 H new ATOM 0 HB ILE A 88 6.768 7.809 -22.057 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.435 6.693 -20.474 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.360 8.142 -20.134 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.033 6.944 -23.619 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.481 5.910 -23.618 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.021 5.397 -22.740 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.144 8.704 -21.014 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.410 9.237 -22.144 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.471 7.766 -22.490 1.00 0.00 H new ATOM 1403 N VAL A 89 8.416 4.275 -21.934 1.00 0.00 N ATOM 1404 CA VAL A 89 9.689 3.604 -22.207 1.00 0.00 C ATOM 1405 C VAL A 89 9.523 2.758 -23.477 1.00 0.00 C ATOM 1406 O VAL A 89 8.406 2.363 -23.818 1.00 0.00 O ATOM 1407 CB VAL A 89 10.082 2.768 -20.957 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.467 2.112 -21.089 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.102 3.609 -19.665 1.00 0.00 C ATOM 0 H VAL A 89 7.608 3.661 -22.035 1.00 0.00 H new ATOM 0 HA VAL A 89 10.499 4.310 -22.390 1.00 0.00 H new ATOM 0 HB VAL A 89 9.310 2.001 -20.896 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.687 1.542 -20.187 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.473 1.444 -21.951 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.224 2.884 -21.224 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.382 2.976 -18.823 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.826 4.417 -19.768 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.112 4.029 -19.489 1.00 0.00 H new ATOM 1419 N TYR A 90 10.611 2.474 -24.198 1.00 0.00 N ATOM 1420 CA TYR A 90 10.572 1.650 -25.409 1.00 0.00 C ATOM 1421 C TYR A 90 11.850 0.819 -25.585 1.00 0.00 C ATOM 1422 O TYR A 90 11.790 -0.290 -26.120 1.00 0.00 O ATOM 1423 CB TYR A 90 10.337 2.560 -26.626 1.00 0.00 C ATOM 1424 CG TYR A 90 9.946 1.824 -27.895 1.00 0.00 C ATOM 1425 CD1 TYR A 90 8.596 1.490 -28.124 1.00 0.00 C ATOM 1426 CD2 TYR A 90 10.922 1.477 -28.849 1.00 0.00 C ATOM 1427 CE1 TYR A 90 8.222 0.813 -29.299 1.00 0.00 C ATOM 1428 CE2 TYR A 90 10.557 0.796 -30.024 1.00 0.00 C ATOM 1429 CZ TYR A 90 9.201 0.459 -30.254 1.00 0.00 C ATOM 1430 OH TYR A 90 8.827 -0.199 -31.387 1.00 0.00 O ATOM 0 H TYR A 90 11.544 2.809 -23.958 1.00 0.00 H new ATOM 0 HA TYR A 90 9.751 0.939 -25.316 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.554 3.278 -26.381 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.245 3.132 -26.817 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.845 1.755 -27.394 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.957 1.735 -28.677 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.185 0.564 -29.471 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.311 0.530 -30.751 1.00 0.00 H new ATOM 0 HH TYR A 90 9.616 -0.369 -31.942 1.00 0.00 H new ATOM 1440 N SER A 91 12.990 1.340 -25.123 1.00 0.00 N ATOM 1441 CA SER A 91 14.290 0.682 -25.153 1.00 0.00 C ATOM 1442 C SER A 91 14.218 -0.711 -24.521 1.00 0.00 C ATOM 1443 O SER A 91 13.653 -0.848 -23.416 1.00 0.00 O ATOM 1444 CB SER A 91 15.319 1.567 -24.436 1.00 0.00 C ATOM 1445 OG SER A 91 15.207 2.919 -24.871 1.00 0.00 O ATOM 1446 OXT SER A 91 14.745 -1.667 -25.128 1.00 0.00 O ATOM 0 H SER A 91 13.029 2.268 -24.702 1.00 0.00 H new ATOM 0 HA SER A 91 14.599 0.546 -26.189 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.166 1.512 -23.358 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.325 1.198 -24.634 1.00 0.00 H new ATOM 0 HG SER A 91 15.869 3.469 -24.403 1.00 0.00 H new TER 1452 SER A 91