USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 523 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot -94:sc= 0.225 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0342 (180deg=-0.452) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.729 (180deg=-0.115) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.14 USER MOD Single : A 11 MET CE :methyl 155:sc= -0.141 (180deg=-0.362) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.178 F(o=-1.7,f=-0.18) USER MOD Single : A 30 SER OG : rot 180:sc= -0.306 USER MOD Single : A 32 ASN : amide:sc= 0.0331 K(o=0.033,f=-1.8!) USER MOD Single : A 35 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 39:sc=-0.00875 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 54 THR OG1 : rot 72:sc= -0.141 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 58 MET CE :methyl -171:sc= -0.869 (180deg=-1.18) USER MOD Single : A 60 THR OG1 : rot 67:sc= 0.905 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= 0.285 (180deg=-0.79) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.238 F(o=-2.6!,f=-0.24) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.180 7.691 2.083 1.00 0.00 N ATOM 2 CA MET A 1 -11.836 7.133 1.981 1.00 0.00 C ATOM 3 C MET A 1 -11.887 5.617 1.830 1.00 0.00 C ATOM 4 O MET A 1 -11.251 4.887 2.590 1.00 0.00 O ATOM 5 CB MET A 1 -11.010 7.508 3.212 1.00 0.00 C ATOM 6 CG MET A 1 -11.647 7.078 4.525 1.00 0.00 C ATOM 7 SD MET A 1 -12.699 8.356 5.238 1.00 0.00 S ATOM 8 CE MET A 1 -11.954 8.544 6.856 1.00 0.00 C ATOM 0 H1 MET A 1 -13.333 8.372 1.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.880 6.925 2.013 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.287 8.175 2.998 1.00 0.00 H new ATOM 0 HA MET A 1 -11.362 7.552 1.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.023 7.053 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.863 8.588 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.238 6.177 4.360 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.863 6.819 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.674 8.996 7.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.658 7.566 7.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.075 9.184 6.780 1.00 0.00 H new ATOM 16 N ALA A 2 -12.646 5.149 0.844 1.00 0.00 N ATOM 17 CA ALA A 2 -12.777 3.719 0.593 1.00 0.00 C ATOM 18 C ALA A 2 -12.732 3.418 -0.901 1.00 0.00 C ATOM 19 O ALA A 2 -13.090 4.260 -1.724 1.00 0.00 O ATOM 20 CB ALA A 2 -14.067 3.193 1.202 1.00 0.00 C ATOM 0 H ALA A 2 -13.179 5.740 0.206 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.934 3.213 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.152 2.124 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.058 3.366 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.917 3.711 0.758 1.00 0.00 H new ATOM 26 N ARG A 3 -12.293 2.212 -1.244 1.00 0.00 N ATOM 27 CA ARG A 3 -12.201 1.800 -2.640 1.00 0.00 C ATOM 28 C ARG A 3 -12.765 0.395 -2.831 1.00 0.00 C ATOM 29 O ARG A 3 -13.320 -0.193 -1.904 1.00 0.00 O ATOM 30 CB ARG A 3 -10.746 1.846 -3.112 1.00 0.00 C ATOM 31 CG ARG A 3 -10.089 3.204 -2.933 1.00 0.00 C ATOM 32 CD ARG A 3 -10.337 4.105 -4.134 1.00 0.00 C ATOM 33 NE ARG A 3 -11.584 4.855 -4.007 1.00 0.00 N ATOM 34 CZ ARG A 3 -12.199 5.437 -5.030 1.00 0.00 C ATOM 35 NH1 ARG A 3 -11.686 5.355 -6.250 1.00 0.00 N ATOM 36 NH2 ARG A 3 -13.331 6.102 -4.835 1.00 0.00 N ATOM 0 H ARG A 3 -11.995 1.502 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.792 2.494 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.172 1.099 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.706 1.569 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.476 3.681 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.016 3.074 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.505 4.801 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.368 3.500 -5.040 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.006 4.936 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.817 4.844 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.161 5.803 -7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.730 6.167 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.802 6.549 -5.622 1.00 0.00 H new ATOM 47 N GLY A 4 -12.620 -0.136 -4.041 1.00 0.00 N ATOM 48 CA GLY A 4 -13.122 -1.466 -4.332 1.00 0.00 C ATOM 49 C GLY A 4 -12.472 -2.074 -5.559 1.00 0.00 C ATOM 50 O GLY A 4 -13.058 -2.080 -6.642 1.00 0.00 O ATOM 0 H GLY A 4 -12.164 0.331 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.947 -2.113 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.201 -1.420 -4.481 1.00 0.00 H new ATOM 54 N SER A 5 -11.257 -2.587 -5.392 1.00 0.00 N ATOM 55 CA SER A 5 -10.526 -3.195 -6.497 1.00 0.00 C ATOM 56 C SER A 5 -9.983 -4.565 -6.100 1.00 0.00 C ATOM 57 O SER A 5 -10.416 -5.592 -6.624 1.00 0.00 O ATOM 58 CB SER A 5 -9.375 -2.287 -6.936 1.00 0.00 C ATOM 59 OG SER A 5 -9.860 -1.144 -7.619 1.00 0.00 O ATOM 0 H SER A 5 -10.758 -2.594 -4.502 1.00 0.00 H new ATOM 0 HA SER A 5 -11.217 -3.323 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.799 -1.977 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.697 -2.842 -7.585 1.00 0.00 H new ATOM 0 HG SER A 5 -9.106 -0.579 -7.888 1.00 0.00 H new ATOM 64 N VAL A 6 -9.033 -4.572 -5.171 1.00 0.00 N ATOM 65 CA VAL A 6 -8.431 -5.816 -4.702 1.00 0.00 C ATOM 66 C VAL A 6 -9.500 -6.816 -4.276 1.00 0.00 C ATOM 67 O VAL A 6 -10.618 -6.437 -3.931 1.00 0.00 O ATOM 68 CB VAL A 6 -7.477 -5.566 -3.519 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.232 -5.632 -2.200 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.332 -6.567 -3.538 1.00 0.00 C ATOM 0 H VAL A 6 -8.663 -3.731 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.863 -6.228 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.057 -4.565 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.541 -5.453 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.014 -4.872 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.683 -6.618 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.668 -6.376 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.732 -7.578 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.775 -6.465 -4.469 1.00 0.00 H new ATOM 80 N SER A 7 -9.147 -8.098 -4.304 1.00 0.00 N ATOM 81 CA SER A 7 -10.076 -9.155 -3.925 1.00 0.00 C ATOM 82 C SER A 7 -10.712 -8.858 -2.570 1.00 0.00 C ATOM 83 O SER A 7 -10.093 -8.241 -1.703 1.00 0.00 O ATOM 84 CB SER A 7 -9.356 -10.504 -3.879 1.00 0.00 C ATOM 85 OG SER A 7 -8.046 -10.401 -4.408 1.00 0.00 O ATOM 0 H SER A 7 -8.224 -8.429 -4.585 1.00 0.00 H new ATOM 0 HA SER A 7 -10.865 -9.198 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.309 -10.860 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.923 -11.242 -4.446 1.00 0.00 H new ATOM 0 HG SER A 7 -7.606 -11.276 -4.366 1.00 0.00 H new ATOM 90 N ASP A 8 -11.952 -9.303 -2.395 1.00 0.00 N ATOM 91 CA ASP A 8 -12.672 -9.087 -1.146 1.00 0.00 C ATOM 92 C ASP A 8 -11.838 -9.539 0.048 1.00 0.00 C ATOM 93 O ASP A 8 -11.625 -8.779 0.991 1.00 0.00 O ATOM 94 CB ASP A 8 -14.006 -9.837 -1.166 1.00 0.00 C ATOM 95 CG ASP A 8 -15.177 -8.925 -1.476 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.448 -8.011 -0.670 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.822 -9.127 -2.525 1.00 0.00 O ATOM 0 H ASP A 8 -12.479 -9.815 -3.102 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.865 -8.019 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.961 -10.632 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.166 -10.314 -0.199 1.00 0.00 H new ATOM 101 N GLU A 9 -11.370 -10.783 -0.001 1.00 0.00 N ATOM 102 CA GLU A 9 -10.561 -11.336 1.079 1.00 0.00 C ATOM 103 C GLU A 9 -9.440 -10.377 1.466 1.00 0.00 C ATOM 104 O GLU A 9 -9.364 -9.923 2.607 1.00 0.00 O ATOM 105 CB GLU A 9 -9.971 -12.686 0.663 1.00 0.00 C ATOM 106 CG GLU A 9 -10.870 -13.868 0.983 1.00 0.00 C ATOM 107 CD GLU A 9 -10.155 -15.198 0.847 1.00 0.00 C ATOM 108 OE1 GLU A 9 -8.948 -15.193 0.528 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.803 -16.245 1.059 1.00 0.00 O ATOM 0 H GLU A 9 -11.537 -11.425 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.207 -11.480 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.772 -12.671 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.012 -12.824 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.250 -13.766 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.733 -13.854 0.317 1.00 0.00 H new ATOM 114 N GLU A 10 -8.572 -10.071 0.506 1.00 0.00 N ATOM 115 CA GLU A 10 -7.454 -9.166 0.748 1.00 0.00 C ATOM 116 C GLU A 10 -7.949 -7.813 1.249 1.00 0.00 C ATOM 117 O GLU A 10 -7.558 -7.357 2.323 1.00 0.00 O ATOM 118 CB GLU A 10 -6.635 -8.980 -0.531 1.00 0.00 C ATOM 119 CG GLU A 10 -5.357 -9.801 -0.560 1.00 0.00 C ATOM 120 CD GLU A 10 -5.547 -11.198 -0.001 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.964 -11.496 1.062 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.279 -11.992 -0.627 1.00 0.00 O ATOM 0 H GLU A 10 -8.621 -10.436 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.820 -9.609 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.250 -9.251 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.382 -7.925 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.998 -9.871 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.586 -9.286 0.013 1.00 0.00 H new ATOM 127 N MET A 11 -8.811 -7.176 0.464 1.00 0.00 N ATOM 128 CA MET A 11 -9.361 -5.875 0.828 1.00 0.00 C ATOM 129 C MET A 11 -9.642 -5.804 2.325 1.00 0.00 C ATOM 130 O MET A 11 -9.339 -4.805 2.977 1.00 0.00 O ATOM 131 CB MET A 11 -10.645 -5.602 0.042 1.00 0.00 C ATOM 132 CG MET A 11 -11.046 -4.136 0.027 1.00 0.00 C ATOM 133 SD MET A 11 -9.787 -3.078 -0.715 1.00 0.00 S ATOM 134 CE MET A 11 -10.468 -1.456 -0.381 1.00 0.00 C ATOM 0 H MET A 11 -9.144 -7.539 -0.429 1.00 0.00 H new ATOM 0 HA MET A 11 -8.623 -5.113 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.513 -5.945 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.457 -6.188 0.472 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.980 -4.024 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.237 -3.805 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.663 -0.721 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.179 -1.192 -1.164 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.977 -1.466 0.583 1.00 0.00 H new ATOM 142 N MET A 12 -10.223 -6.871 2.865 1.00 0.00 N ATOM 143 CA MET A 12 -10.544 -6.928 4.286 1.00 0.00 C ATOM 144 C MET A 12 -9.274 -6.987 5.129 1.00 0.00 C ATOM 145 O MET A 12 -9.142 -6.268 6.119 1.00 0.00 O ATOM 146 CB MET A 12 -11.424 -8.143 4.584 1.00 0.00 C ATOM 147 CG MET A 12 -12.914 -7.847 4.514 1.00 0.00 C ATOM 148 SD MET A 12 -13.475 -6.790 5.862 1.00 0.00 S ATOM 149 CE MET A 12 -15.220 -7.191 5.902 1.00 0.00 C ATOM 0 H MET A 12 -10.481 -7.707 2.340 1.00 0.00 H new ATOM 0 HA MET A 12 -11.089 -6.021 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.186 -8.936 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.183 -8.521 5.578 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.141 -7.367 3.562 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.469 -8.785 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.708 -6.615 6.688 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.671 -6.947 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.344 -8.255 6.102 1.00 0.00 H new ATOM 157 N GLU A 13 -8.344 -7.848 4.730 1.00 0.00 N ATOM 158 CA GLU A 13 -7.084 -8.000 5.449 1.00 0.00 C ATOM 159 C GLU A 13 -6.220 -6.751 5.305 1.00 0.00 C ATOM 160 O GLU A 13 -5.874 -6.105 6.294 1.00 0.00 O ATOM 161 CB GLU A 13 -6.323 -9.224 4.935 1.00 0.00 C ATOM 162 CG GLU A 13 -6.668 -10.509 5.668 1.00 0.00 C ATOM 163 CD GLU A 13 -5.850 -11.693 5.189 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.347 -12.444 4.324 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.715 -11.867 5.677 1.00 0.00 O ATOM 0 H GLU A 13 -8.439 -8.451 3.913 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.313 -8.141 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.535 -9.353 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.253 -9.040 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.505 -10.368 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.728 -10.726 5.533 1.00 0.00 H new ATOM 170 N LEU A 14 -5.877 -6.417 4.065 1.00 0.00 N ATOM 171 CA LEU A 14 -5.052 -5.246 3.790 1.00 0.00 C ATOM 172 C LEU A 14 -5.567 -4.028 4.549 1.00 0.00 C ATOM 173 O LEU A 14 -4.794 -3.300 5.173 1.00 0.00 O ATOM 174 CB LEU A 14 -5.031 -4.954 2.289 1.00 0.00 C ATOM 175 CG LEU A 14 -4.956 -6.175 1.370 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.723 -5.744 -0.071 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.856 -7.121 1.828 1.00 0.00 C ATOM 0 H LEU A 14 -6.157 -6.940 3.235 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.037 -5.459 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.928 -4.388 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.177 -4.310 2.076 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.908 -6.704 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.672 -6.625 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.544 -5.106 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.785 -5.192 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.817 -7.983 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.898 -6.602 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.064 -7.456 2.844 1.00 0.00 H new ATOM 188 N ARG A 15 -6.877 -3.811 4.492 1.00 0.00 N ATOM 189 CA ARG A 15 -7.495 -2.682 5.175 1.00 0.00 C ATOM 190 C ARG A 15 -7.275 -2.769 6.682 1.00 0.00 C ATOM 191 O ARG A 15 -6.848 -1.803 7.313 1.00 0.00 O ATOM 192 CB ARG A 15 -8.994 -2.632 4.870 1.00 0.00 C ATOM 193 CG ARG A 15 -9.769 -1.690 5.778 1.00 0.00 C ATOM 194 CD ARG A 15 -10.812 -2.437 6.594 1.00 0.00 C ATOM 195 NE ARG A 15 -12.147 -1.869 6.427 1.00 0.00 N ATOM 196 CZ ARG A 15 -13.179 -2.174 7.206 1.00 0.00 C ATOM 197 NH1 ARG A 15 -13.028 -3.036 8.202 1.00 0.00 N ATOM 198 NH2 ARG A 15 -14.363 -1.615 6.991 1.00 0.00 N ATOM 0 H ARG A 15 -7.531 -4.403 3.979 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.025 -1.769 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.135 -2.323 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.409 -3.636 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.078 -1.179 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.257 -0.922 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.824 -3.485 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.536 -2.410 7.648 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.295 -1.201 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.119 -3.466 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.821 -3.269 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.482 -0.950 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.154 -1.850 7.590 1.00 0.00 H new ATOM 209 N GLU A 16 -7.569 -3.934 7.251 1.00 0.00 N ATOM 210 CA GLU A 16 -7.404 -4.147 8.684 1.00 0.00 C ATOM 211 C GLU A 16 -6.020 -3.697 9.145 1.00 0.00 C ATOM 212 O GLU A 16 -5.892 -2.805 9.982 1.00 0.00 O ATOM 213 CB GLU A 16 -7.614 -5.622 9.031 1.00 0.00 C ATOM 214 CG GLU A 16 -9.059 -5.973 9.347 1.00 0.00 C ATOM 215 CD GLU A 16 -9.449 -5.616 10.768 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.446 -4.885 10.943 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.757 -6.067 11.705 1.00 0.00 O ATOM 0 H GLU A 16 -7.922 -4.744 6.742 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.154 -3.549 9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.274 -6.235 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.991 -5.877 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.716 -5.451 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.212 -7.041 9.189 1.00 0.00 H new ATOM 222 N ALA A 17 -4.986 -4.324 8.591 1.00 0.00 N ATOM 223 CA ALA A 17 -3.612 -3.988 8.943 1.00 0.00 C ATOM 224 C ALA A 17 -3.323 -2.514 8.682 1.00 0.00 C ATOM 225 O ALA A 17 -2.877 -1.791 9.574 1.00 0.00 O ATOM 226 CB ALA A 17 -2.640 -4.864 8.168 1.00 0.00 C ATOM 0 H ALA A 17 -5.074 -5.067 7.897 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.480 -4.173 10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.618 -4.602 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.823 -5.911 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.782 -4.707 7.099 1.00 0.00 H new ATOM 232 N PHE A 18 -3.578 -2.074 7.455 1.00 0.00 N ATOM 233 CA PHE A 18 -3.343 -0.685 7.076 1.00 0.00 C ATOM 234 C PHE A 18 -3.794 0.263 8.182 1.00 0.00 C ATOM 235 O PHE A 18 -3.016 1.084 8.666 1.00 0.00 O ATOM 236 CB PHE A 18 -4.081 -0.357 5.775 1.00 0.00 C ATOM 237 CG PHE A 18 -3.850 1.046 5.293 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.061 1.290 4.180 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.422 2.122 5.954 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.847 2.580 3.734 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.212 3.414 5.511 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.423 3.644 4.401 1.00 0.00 C ATOM 0 H PHE A 18 -3.948 -2.659 6.705 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.272 -0.552 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.764 -1.056 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.150 -0.510 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.608 0.462 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.038 1.949 6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.230 2.756 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.665 4.244 6.033 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.257 4.654 4.055 1.00 0.00 H new ATOM 251 N ALA A 19 -5.057 0.146 8.577 1.00 0.00 N ATOM 252 CA ALA A 19 -5.612 0.991 9.626 1.00 0.00 C ATOM 253 C ALA A 19 -4.713 0.999 10.858 1.00 0.00 C ATOM 254 O ALA A 19 -4.434 2.053 11.429 1.00 0.00 O ATOM 255 CB ALA A 19 -7.012 0.524 9.996 1.00 0.00 C ATOM 0 H ALA A 19 -5.716 -0.527 8.185 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.670 2.010 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.414 1.165 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.657 0.577 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.970 -0.505 10.354 1.00 0.00 H new ATOM 261 N LYS A 20 -4.262 -0.183 11.263 1.00 0.00 N ATOM 262 CA LYS A 20 -3.393 -0.313 12.426 1.00 0.00 C ATOM 263 C LYS A 20 -2.142 0.545 12.270 1.00 0.00 C ATOM 264 O LYS A 20 -1.542 0.972 13.257 1.00 0.00 O ATOM 265 CB LYS A 20 -2.997 -1.777 12.632 1.00 0.00 C ATOM 266 CG LYS A 20 -4.173 -2.738 12.586 1.00 0.00 C ATOM 267 CD LYS A 20 -4.193 -3.652 13.799 1.00 0.00 C ATOM 268 CE LYS A 20 -2.861 -4.362 13.985 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.915 -5.366 15.083 1.00 0.00 N ATOM 0 H LYS A 20 -4.484 -1.066 10.802 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.944 0.035 13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.276 -2.061 11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.495 -1.877 13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.104 -2.173 12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.118 -3.338 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.423 -3.069 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.987 -4.390 13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.580 -4.856 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.086 -3.628 14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.988 -5.827 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.158 -4.891 15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.637 -6.082 14.864 1.00 0.00 H new ATOM 279 N VAL A 21 -1.753 0.796 11.024 1.00 0.00 N ATOM 280 CA VAL A 21 -0.576 1.607 10.739 1.00 0.00 C ATOM 281 C VAL A 21 -0.968 2.966 10.170 1.00 0.00 C ATOM 282 O VAL A 21 -0.110 3.753 9.770 1.00 0.00 O ATOM 283 CB VAL A 21 0.365 0.899 9.745 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.696 0.576 10.407 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.288 -0.361 9.199 1.00 0.00 C ATOM 0 H VAL A 21 -2.236 0.449 10.196 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.054 1.750 11.685 1.00 0.00 H new ATOM 0 HB VAL A 21 0.556 1.573 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.347 0.076 9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.168 1.499 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.528 -0.079 11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.390 -0.848 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.511 -1.041 10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.213 -0.098 8.685 1.00 0.00 H new ATOM 295 N ASP A 22 -2.268 3.235 10.138 1.00 0.00 N ATOM 296 CA ASP A 22 -2.775 4.500 9.621 1.00 0.00 C ATOM 297 C ASP A 22 -2.832 5.554 10.722 1.00 0.00 C ATOM 298 O ASP A 22 -3.880 5.778 11.330 1.00 0.00 O ATOM 299 CB ASP A 22 -4.165 4.306 9.010 1.00 0.00 C ATOM 300 CG ASP A 22 -4.873 5.622 8.755 1.00 0.00 C ATOM 301 OD1 ASP A 22 -6.121 5.642 8.794 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.179 6.632 8.516 1.00 0.00 O ATOM 0 H ASP A 22 -2.991 2.593 10.464 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.091 4.847 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.073 3.758 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.771 3.694 9.679 1.00 0.00 H new ATOM 306 N THR A 23 -1.698 6.200 10.976 1.00 0.00 N ATOM 307 CA THR A 23 -1.618 7.228 12.006 1.00 0.00 C ATOM 308 C THR A 23 -2.586 8.370 11.719 1.00 0.00 C ATOM 309 O THR A 23 -3.217 8.906 12.630 1.00 0.00 O ATOM 310 CB THR A 23 -0.191 7.797 12.122 1.00 0.00 C ATOM 311 OG1 THR A 23 0.426 7.839 10.830 1.00 0.00 O ATOM 312 CG2 THR A 23 0.653 6.952 13.066 1.00 0.00 C ATOM 0 H THR A 23 -0.822 6.029 10.482 1.00 0.00 H new ATOM 0 HA THR A 23 -1.890 6.753 12.949 1.00 0.00 H new ATOM 0 HB THR A 23 -0.258 8.807 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.332 8.203 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.656 7.373 13.132 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.196 6.946 14.056 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.712 5.932 12.687 1.00 0.00 H new ATOM 320 N ASP A 24 -2.699 8.738 10.446 1.00 0.00 N ATOM 321 CA ASP A 24 -3.592 9.815 10.039 1.00 0.00 C ATOM 322 C ASP A 24 -5.041 9.478 10.377 1.00 0.00 C ATOM 323 O ASP A 24 -5.869 10.368 10.565 1.00 0.00 O ATOM 324 CB ASP A 24 -3.454 10.082 8.539 1.00 0.00 C ATOM 325 CG ASP A 24 -2.171 10.814 8.198 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.987 11.168 7.014 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.351 11.035 9.113 1.00 0.00 O ATOM 0 H ASP A 24 -2.183 8.306 9.680 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.310 10.714 10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.483 9.135 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.306 10.670 8.197 1.00 0.00 H new ATOM 331 N GLY A 25 -5.340 8.184 10.451 1.00 0.00 N ATOM 332 CA GLY A 25 -6.689 7.751 10.765 1.00 0.00 C ATOM 333 C GLY A 25 -7.661 8.016 9.632 1.00 0.00 C ATOM 334 O GLY A 25 -8.856 7.750 9.755 1.00 0.00 O ATOM 0 H GLY A 25 -4.672 7.428 10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.682 6.685 10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.033 8.265 11.662 1.00 0.00 H new ATOM 338 N ASN A 26 -7.148 8.543 8.525 1.00 0.00 N ATOM 339 CA ASN A 26 -7.979 8.846 7.366 1.00 0.00 C ATOM 340 C ASN A 26 -7.604 7.960 6.182 1.00 0.00 C ATOM 341 O ASN A 26 -7.859 8.307 5.029 1.00 0.00 O ATOM 342 CB ASN A 26 -7.837 10.320 6.980 1.00 0.00 C ATOM 343 CG ASN A 26 -7.652 11.218 8.188 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.468 11.804 8.315 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -8.565 11.382 8.999 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.160 8.769 8.406 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.017 8.647 7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.985 10.437 6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.723 10.635 6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.460 10.911 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.426 11.988 9.807 1.00 0.00 H new ATOM 351 N GLY A 27 -6.998 6.814 6.475 1.00 0.00 N ATOM 352 CA GLY A 27 -6.598 5.896 5.424 1.00 0.00 C ATOM 353 C GLY A 27 -5.287 6.293 4.776 1.00 0.00 C ATOM 354 O GLY A 27 -5.054 6.002 3.602 1.00 0.00 O ATOM 0 H GLY A 27 -6.777 6.504 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.506 4.892 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.378 5.857 4.664 1.00 0.00 H new ATOM 358 N TYR A 28 -4.429 6.959 5.539 1.00 0.00 N ATOM 359 CA TYR A 28 -3.135 7.401 5.031 1.00 0.00 C ATOM 360 C TYR A 28 -1.997 6.843 5.880 1.00 0.00 C ATOM 361 O TYR A 28 -2.043 6.895 7.110 1.00 0.00 O ATOM 362 CB TYR A 28 -3.067 8.928 5.006 1.00 0.00 C ATOM 363 CG TYR A 28 -3.352 9.525 3.647 1.00 0.00 C ATOM 364 CD1 TYR A 28 -4.604 10.046 3.343 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.369 9.568 2.665 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.869 10.591 2.102 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.625 10.113 1.421 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.876 10.624 1.145 1.00 0.00 C ATOM 369 OH TYR A 28 -4.135 11.165 -0.093 1.00 0.00 O ATOM 0 H TYR A 28 -4.606 7.205 6.513 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.024 7.023 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.782 9.327 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.076 9.244 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.383 10.024 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.388 9.169 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.848 10.989 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.850 10.139 0.669 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.329 11.111 -0.648 1.00 0.00 H new ATOM 378 N ILE A 29 -0.976 6.312 5.216 1.00 0.00 N ATOM 379 CA ILE A 29 0.175 5.747 5.909 1.00 0.00 C ATOM 380 C ILE A 29 1.480 6.185 5.253 1.00 0.00 C ATOM 381 O ILE A 29 1.553 6.341 4.034 1.00 0.00 O ATOM 382 CB ILE A 29 0.117 4.208 5.934 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.220 3.649 4.513 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.166 3.737 6.603 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.377 2.145 4.465 1.00 0.00 C ATOM 0 H ILE A 29 -0.922 6.261 4.199 1.00 0.00 H new ATOM 0 HA ILE A 29 0.142 6.120 6.933 1.00 0.00 H new ATOM 0 HB ILE A 29 0.963 3.836 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.673 3.931 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.070 4.111 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.192 2.647 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.201 4.110 7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.025 4.116 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.444 1.819 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.285 1.857 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.484 1.674 4.939 1.00 0.00 H new ATOM 396 N SER A 30 2.510 6.381 6.071 1.00 0.00 N ATOM 397 CA SER A 30 3.813 6.804 5.571 1.00 0.00 C ATOM 398 C SER A 30 4.565 5.629 4.954 1.00 0.00 C ATOM 399 O SER A 30 4.197 4.470 5.149 1.00 0.00 O ATOM 400 CB SER A 30 4.642 7.417 6.701 1.00 0.00 C ATOM 401 OG SER A 30 5.965 7.687 6.275 1.00 0.00 O ATOM 0 H SER A 30 2.467 6.254 7.082 1.00 0.00 H new ATOM 0 HA SER A 30 3.652 7.556 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.171 8.339 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.663 6.736 7.552 1.00 0.00 H new ATOM 0 HG SER A 30 6.473 8.080 7.015 1.00 0.00 H new ATOM 406 N PHE A 31 5.622 5.936 4.208 1.00 0.00 N ATOM 407 CA PHE A 31 6.425 4.906 3.562 1.00 0.00 C ATOM 408 C PHE A 31 6.749 3.777 4.535 1.00 0.00 C ATOM 409 O PHE A 31 6.442 2.613 4.276 1.00 0.00 O ATOM 410 CB PHE A 31 7.721 5.510 3.014 1.00 0.00 C ATOM 411 CG PHE A 31 7.652 5.854 1.554 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.402 5.149 0.627 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.838 6.883 1.109 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.341 5.463 -0.718 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.772 7.201 -0.234 1.00 0.00 C ATOM 416 CZ PHE A 31 7.526 6.491 -1.149 1.00 0.00 C ATOM 0 H PHE A 31 5.941 6.889 4.037 1.00 0.00 H new ATOM 0 HA PHE A 31 5.845 4.494 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.961 6.410 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.537 4.806 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.042 4.345 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.248 7.443 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.930 4.905 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.132 8.004 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.478 6.740 -2.199 1.00 0.00 H new ATOM 425 N ASN A 32 7.372 4.129 5.655 1.00 0.00 N ATOM 426 CA ASN A 32 7.738 3.144 6.667 1.00 0.00 C ATOM 427 C ASN A 32 6.526 2.320 7.088 1.00 0.00 C ATOM 428 O ASN A 32 6.601 1.096 7.189 1.00 0.00 O ATOM 429 CB ASN A 32 8.345 3.840 7.888 1.00 0.00 C ATOM 430 CG ASN A 32 9.659 4.526 7.568 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.698 5.495 6.810 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.744 4.024 8.148 1.00 0.00 N ATOM 0 H ASN A 32 7.634 5.088 5.885 1.00 0.00 H new ATOM 0 HA ASN A 32 8.478 2.472 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.638 4.576 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.504 3.107 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.657 4.443 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.664 3.219 8.770 1.00 0.00 H new ATOM 438 N GLU A 33 5.410 2.999 7.331 1.00 0.00 N ATOM 439 CA GLU A 33 4.182 2.329 7.741 1.00 0.00 C ATOM 440 C GLU A 33 3.733 1.323 6.685 1.00 0.00 C ATOM 441 O GLU A 33 3.255 0.235 7.011 1.00 0.00 O ATOM 442 CB GLU A 33 3.073 3.353 7.990 1.00 0.00 C ATOM 443 CG GLU A 33 3.453 4.432 8.991 1.00 0.00 C ATOM 444 CD GLU A 33 2.254 5.210 9.493 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.933 5.093 10.695 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.635 5.936 8.687 1.00 0.00 O ATOM 0 H GLU A 33 5.331 4.013 7.251 1.00 0.00 H new ATOM 0 HA GLU A 33 4.384 1.792 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.807 3.825 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.184 2.833 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.964 3.973 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.160 5.120 8.527 1.00 0.00 H new ATOM 451 N LEU A 34 3.889 1.694 5.419 1.00 0.00 N ATOM 452 CA LEU A 34 3.499 0.825 4.314 1.00 0.00 C ATOM 453 C LEU A 34 4.255 -0.498 4.369 1.00 0.00 C ATOM 454 O LEU A 34 3.652 -1.565 4.484 1.00 0.00 O ATOM 455 CB LEU A 34 3.763 1.520 2.976 1.00 0.00 C ATOM 456 CG LEU A 34 3.973 0.601 1.773 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.733 -0.242 1.522 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.327 1.414 0.536 1.00 0.00 C ATOM 0 H LEU A 34 4.283 2.590 5.132 1.00 0.00 H new ATOM 0 HA LEU A 34 2.433 0.618 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.923 2.181 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.645 2.151 3.085 1.00 0.00 H new ATOM 0 HG LEU A 34 4.804 -0.069 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.901 -0.890 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.524 -0.852 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.883 0.411 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.473 0.743 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.517 2.109 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.245 1.973 0.718 1.00 0.00 H new ATOM 469 N ASN A 35 5.580 -0.422 4.288 1.00 0.00 N ATOM 470 CA ASN A 35 6.418 -1.614 4.331 1.00 0.00 C ATOM 471 C ASN A 35 6.020 -2.518 5.495 1.00 0.00 C ATOM 472 O ASN A 35 5.872 -3.730 5.331 1.00 0.00 O ATOM 473 CB ASN A 35 7.892 -1.224 4.455 1.00 0.00 C ATOM 474 CG ASN A 35 8.344 -0.310 3.333 1.00 0.00 C ATOM 475 OD1 ASN A 35 7.723 0.719 3.066 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.431 -0.684 2.668 1.00 0.00 N ATOM 0 H ASN A 35 6.096 0.453 4.192 1.00 0.00 H new ATOM 0 HA ASN A 35 6.272 -2.163 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.055 -0.728 5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.505 -2.125 4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.783 -0.110 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.914 -1.545 2.924 1.00 0.00 H new ATOM 482 N ASP A 36 5.849 -1.920 6.669 1.00 0.00 N ATOM 483 CA ASP A 36 5.466 -2.670 7.859 1.00 0.00 C ATOM 484 C ASP A 36 4.076 -3.278 7.696 1.00 0.00 C ATOM 485 O ASP A 36 3.802 -4.370 8.195 1.00 0.00 O ATOM 486 CB ASP A 36 5.498 -1.763 9.091 1.00 0.00 C ATOM 487 CG ASP A 36 6.784 -0.965 9.188 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.807 -1.417 8.634 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.765 0.113 9.819 1.00 0.00 O ATOM 0 H ASP A 36 5.970 -0.919 6.822 1.00 0.00 H new ATOM 0 HA ASP A 36 6.183 -3.480 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.650 -1.078 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.382 -2.370 9.989 1.00 0.00 H new ATOM 493 N LEU A 37 3.202 -2.563 6.995 1.00 0.00 N ATOM 494 CA LEU A 37 1.839 -3.032 6.766 1.00 0.00 C ATOM 495 C LEU A 37 1.832 -4.277 5.885 1.00 0.00 C ATOM 496 O LEU A 37 1.037 -5.193 6.093 1.00 0.00 O ATOM 497 CB LEU A 37 1.002 -1.928 6.117 1.00 0.00 C ATOM 498 CG LEU A 37 -0.135 -2.396 5.209 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.057 -3.349 5.955 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.917 -1.203 4.677 1.00 0.00 C ATOM 0 H LEU A 37 3.413 -1.657 6.576 1.00 0.00 H new ATOM 0 HA LEU A 37 1.403 -3.291 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.578 -1.309 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.667 -1.290 5.534 1.00 0.00 H new ATOM 0 HG LEU A 37 0.298 -2.930 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.860 -3.671 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.490 -4.218 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.482 -2.841 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.723 -1.554 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.338 -0.643 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.251 -0.557 4.106 1.00 0.00 H new ATOM 511 N PHE A 38 2.726 -4.303 4.901 1.00 0.00 N ATOM 512 CA PHE A 38 2.823 -5.437 3.988 1.00 0.00 C ATOM 513 C PHE A 38 3.276 -6.692 4.726 1.00 0.00 C ATOM 514 O PHE A 38 2.660 -7.752 4.611 1.00 0.00 O ATOM 515 CB PHE A 38 3.796 -5.120 2.851 1.00 0.00 C ATOM 516 CG PHE A 38 3.123 -4.931 1.521 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.732 -3.670 1.101 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.881 -6.014 0.692 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.113 -3.493 -0.122 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.263 -5.843 -0.533 1.00 0.00 C ATOM 521 CZ PHE A 38 1.878 -4.581 -0.939 1.00 0.00 C ATOM 0 H PHE A 38 3.392 -3.553 4.716 1.00 0.00 H new ATOM 0 HA PHE A 38 1.833 -5.621 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.351 -4.216 3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.523 -5.928 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.913 -2.816 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.179 -7.004 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.813 -2.505 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.082 -6.695 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.394 -4.445 -1.895 1.00 0.00 H new ATOM 530 N LYS A 39 4.360 -6.566 5.485 1.00 0.00 N ATOM 531 CA LYS A 39 4.898 -7.689 6.244 1.00 0.00 C ATOM 532 C LYS A 39 3.924 -8.125 7.335 1.00 0.00 C ATOM 533 O LYS A 39 3.800 -9.314 7.630 1.00 0.00 O ATOM 534 CB LYS A 39 6.244 -7.311 6.868 1.00 0.00 C ATOM 535 CG LYS A 39 7.233 -6.729 5.875 1.00 0.00 C ATOM 536 CD LYS A 39 8.627 -6.627 6.469 1.00 0.00 C ATOM 537 CE LYS A 39 8.991 -5.186 6.794 1.00 0.00 C ATOM 538 NZ LYS A 39 9.401 -4.431 5.578 1.00 0.00 N ATOM 0 H LYS A 39 4.883 -5.697 5.591 1.00 0.00 H new ATOM 0 HA LYS A 39 5.044 -8.523 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.075 -6.588 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.683 -8.196 7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.262 -7.353 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.897 -5.740 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.683 -7.230 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.353 -7.037 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.138 -4.692 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.802 -5.171 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.641 -3.454 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.231 -4.888 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.618 -4.423 4.894 1.00 0.00 H new ATOM 548 N ALA A 40 3.235 -7.156 7.929 1.00 0.00 N ATOM 549 CA ALA A 40 2.271 -7.442 8.984 1.00 0.00 C ATOM 550 C ALA A 40 0.988 -8.034 8.409 1.00 0.00 C ATOM 551 O ALA A 40 0.271 -8.765 9.092 1.00 0.00 O ATOM 552 CB ALA A 40 1.963 -6.178 9.773 1.00 0.00 C ATOM 0 H ALA A 40 3.327 -6.167 7.698 1.00 0.00 H new ATOM 0 HA ALA A 40 2.712 -8.179 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.242 -6.406 10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.880 -5.797 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.546 -5.424 9.105 1.00 0.00 H new ATOM 558 N ALA A 41 0.706 -7.713 7.151 1.00 0.00 N ATOM 559 CA ALA A 41 -0.490 -8.215 6.485 1.00 0.00 C ATOM 560 C ALA A 41 -0.263 -9.618 5.933 1.00 0.00 C ATOM 561 O ALA A 41 -1.199 -10.274 5.474 1.00 0.00 O ATOM 562 CB ALA A 41 -0.909 -7.269 5.370 1.00 0.00 C ATOM 0 H ALA A 41 1.289 -7.108 6.573 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.291 -8.268 7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.803 -7.656 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.121 -6.285 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.103 -7.187 4.640 1.00 0.00 H new ATOM 568 N CYS A 42 0.985 -10.072 5.980 1.00 0.00 N ATOM 569 CA CYS A 42 1.335 -11.398 5.483 1.00 0.00 C ATOM 570 C CYS A 42 1.111 -11.490 3.977 1.00 0.00 C ATOM 571 O CYS A 42 0.577 -12.482 3.478 1.00 0.00 O ATOM 572 CB CYS A 42 0.512 -12.468 6.201 1.00 0.00 C ATOM 573 SG CYS A 42 0.471 -12.286 7.999 1.00 0.00 S ATOM 0 H CYS A 42 1.771 -9.542 6.357 1.00 0.00 H new ATOM 0 HA CYS A 42 2.392 -11.568 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.509 -12.441 5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.918 -13.449 5.955 1.00 0.00 H new ATOM 0 HG CYS A 42 0.382 -11.026 8.306 1.00 0.00 H new ATOM 578 N LEU A 43 1.519 -10.450 3.258 1.00 0.00 N ATOM 579 CA LEU A 43 1.361 -10.413 1.808 1.00 0.00 C ATOM 580 C LEU A 43 2.348 -11.357 1.128 1.00 0.00 C ATOM 581 O LEU A 43 3.375 -11.733 1.695 1.00 0.00 O ATOM 582 CB LEU A 43 1.560 -8.988 1.291 1.00 0.00 C ATOM 583 CG LEU A 43 0.306 -8.116 1.227 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.941 -8.980 1.110 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.220 -7.215 2.450 1.00 0.00 C ATOM 0 H LEU A 43 1.962 -9.621 3.655 1.00 0.00 H new ATOM 0 HA LEU A 43 0.350 -10.742 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.292 -8.491 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.992 -9.042 0.292 1.00 0.00 H new ATOM 0 HG LEU A 43 0.370 -7.486 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.823 -8.341 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.883 -9.582 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.011 -9.637 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.679 -6.601 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.179 -7.827 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.098 -6.570 2.489 1.00 0.00 H new ATOM 596 N PRO A 44 2.033 -11.746 -0.115 1.00 0.00 N ATOM 597 CA PRO A 44 2.882 -12.648 -0.901 1.00 0.00 C ATOM 598 C PRO A 44 4.187 -11.987 -1.332 1.00 0.00 C ATOM 599 O PRO A 44 5.194 -12.662 -1.550 1.00 0.00 O ATOM 600 CB PRO A 44 2.019 -12.974 -2.122 1.00 0.00 C ATOM 601 CG PRO A 44 1.095 -11.813 -2.252 1.00 0.00 C ATOM 602 CD PRO A 44 0.826 -11.336 -0.852 1.00 0.00 C ATOM 0 HA PRO A 44 3.183 -13.525 -0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.629 -13.097 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.469 -13.904 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.544 -11.023 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.170 -12.105 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.680 -10.256 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.073 -11.793 -0.437 1.00 0.00 H new ATOM 607 N LEU A 45 4.162 -10.665 -1.454 1.00 0.00 N ATOM 608 CA LEU A 45 5.344 -9.911 -1.859 1.00 0.00 C ATOM 609 C LEU A 45 6.338 -9.797 -0.708 1.00 0.00 C ATOM 610 O LEU A 45 5.964 -9.643 0.454 1.00 0.00 O ATOM 611 CB LEU A 45 4.943 -8.516 -2.343 1.00 0.00 C ATOM 612 CG LEU A 45 3.966 -8.468 -3.518 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.273 -7.282 -4.419 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.017 -9.768 -4.308 1.00 0.00 C ATOM 0 H LEU A 45 3.336 -10.092 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 45 5.824 -10.448 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.500 -7.976 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.847 -7.978 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 45 2.958 -8.346 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.568 -7.264 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.184 -6.358 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.288 -7.373 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.315 -9.716 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.025 -9.921 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.747 -10.600 -3.657 1.00 0.00 H new ATOM 625 N PRO A 46 7.636 -9.870 -1.038 1.00 0.00 N ATOM 626 CA PRO A 46 8.711 -9.774 -0.045 1.00 0.00 C ATOM 627 C PRO A 46 8.838 -8.371 0.538 1.00 0.00 C ATOM 628 O PRO A 46 7.954 -7.534 0.363 1.00 0.00 O ATOM 629 CB PRO A 46 9.965 -10.136 -0.845 1.00 0.00 C ATOM 630 CG PRO A 46 9.629 -9.791 -2.254 1.00 0.00 C ATOM 631 CD PRO A 46 8.155 -10.052 -2.404 1.00 0.00 C ATOM 0 HA PRO A 46 8.533 -10.423 0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.832 -9.575 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.207 -11.194 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.864 -8.748 -2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.206 -10.397 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.693 -9.357 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.961 -11.058 -2.777 1.00 0.00 H new ATOM 636 N GLY A 47 9.944 -8.121 1.232 1.00 0.00 N ATOM 637 CA GLY A 47 10.166 -6.818 1.831 1.00 0.00 C ATOM 638 C GLY A 47 10.708 -5.809 0.838 1.00 0.00 C ATOM 639 O GLY A 47 10.270 -4.659 0.809 1.00 0.00 O ATOM 0 H GLY A 47 10.690 -8.798 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.229 -6.448 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.865 -6.917 2.662 1.00 0.00 H new ATOM 643 N TYR A 48 11.667 -6.238 0.025 1.00 0.00 N ATOM 644 CA TYR A 48 12.274 -5.363 -0.970 1.00 0.00 C ATOM 645 C TYR A 48 11.260 -4.973 -2.043 1.00 0.00 C ATOM 646 O TYR A 48 11.218 -3.825 -2.485 1.00 0.00 O ATOM 647 CB TYR A 48 13.478 -6.049 -1.617 1.00 0.00 C ATOM 648 CG TYR A 48 13.125 -7.315 -2.364 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.807 -7.280 -3.717 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.109 -8.545 -1.719 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.484 -8.434 -4.404 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.788 -9.704 -2.399 1.00 0.00 C ATOM 653 CZ TYR A 48 12.476 -9.644 -3.741 1.00 0.00 C ATOM 654 OH TYR A 48 12.154 -10.796 -4.421 1.00 0.00 O ATOM 0 H TYR A 48 12.041 -7.187 0.036 1.00 0.00 H new ATOM 0 HA TYR A 48 12.609 -4.457 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.956 -5.352 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.209 -6.285 -0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.813 -6.335 -4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.352 -8.596 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.239 -8.389 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.781 -10.652 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 48 12.196 -11.560 -3.809 1.00 0.00 H new ATOM 663 N ARG A 49 10.445 -5.938 -2.455 1.00 0.00 N ATOM 664 CA ARG A 49 9.431 -5.698 -3.476 1.00 0.00 C ATOM 665 C ARG A 49 8.574 -4.488 -3.116 1.00 0.00 C ATOM 666 O ARG A 49 8.424 -3.561 -3.912 1.00 0.00 O ATOM 667 CB ARG A 49 8.544 -6.932 -3.646 1.00 0.00 C ATOM 668 CG ARG A 49 8.988 -7.850 -4.773 1.00 0.00 C ATOM 669 CD ARG A 49 8.023 -7.796 -5.947 1.00 0.00 C ATOM 670 NE ARG A 49 7.581 -9.128 -6.354 1.00 0.00 N ATOM 671 CZ ARG A 49 6.991 -9.383 -7.517 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.775 -8.404 -8.383 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.618 -10.621 -7.815 1.00 0.00 N ATOM 0 H ARG A 49 10.466 -6.893 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 49 9.941 -5.494 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.536 -7.494 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.520 -6.610 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.985 -7.563 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.058 -8.873 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.156 -7.193 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.505 -7.301 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 49 7.734 -9.904 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.062 -7.451 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.322 -8.603 -9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.784 -11.377 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.165 -10.816 -8.708 1.00 0.00 H new ATOM 684 N VAL A 50 8.012 -4.504 -1.911 1.00 0.00 N ATOM 685 CA VAL A 50 7.170 -3.409 -1.446 1.00 0.00 C ATOM 686 C VAL A 50 7.951 -2.100 -1.391 1.00 0.00 C ATOM 687 O VAL A 50 7.554 -1.104 -1.994 1.00 0.00 O ATOM 688 CB VAL A 50 6.585 -3.705 -0.051 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.656 -2.583 0.387 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.859 -5.041 -0.050 1.00 0.00 C ATOM 0 H VAL A 50 8.125 -5.264 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 50 6.353 -3.311 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 50 7.406 -3.764 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.252 -2.809 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.211 -1.646 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.838 -2.489 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.453 -5.233 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.046 -5.014 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.557 -5.835 -0.316 1.00 0.00 H new ATOM 700 N ARG A 51 9.063 -2.112 -0.664 1.00 0.00 N ATOM 701 CA ARG A 51 9.899 -0.925 -0.529 1.00 0.00 C ATOM 702 C ARG A 51 10.222 -0.330 -1.896 1.00 0.00 C ATOM 703 O ARG A 51 9.963 0.847 -2.148 1.00 0.00 O ATOM 704 CB ARG A 51 11.195 -1.270 0.208 1.00 0.00 C ATOM 705 CG ARG A 51 12.024 -0.052 0.586 1.00 0.00 C ATOM 706 CD ARG A 51 13.463 -0.190 0.115 1.00 0.00 C ATOM 707 NE ARG A 51 13.937 1.017 -0.557 1.00 0.00 N ATOM 708 CZ ARG A 51 14.319 2.115 0.088 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.282 2.157 1.412 1.00 0.00 N ATOM 710 NH2 ARG A 51 14.738 3.173 -0.594 1.00 0.00 N ATOM 0 H ARG A 51 9.406 -2.930 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 51 9.346 -0.185 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.951 -1.828 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.796 -1.927 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.580 0.842 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.005 0.081 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.105 -0.405 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.542 -1.038 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 51 13.977 1.018 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.960 1.345 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.576 3.001 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.767 3.144 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.031 4.015 -0.099 1.00 0.00 H new ATOM 721 N GLU A 52 10.790 -1.150 -2.774 1.00 0.00 N ATOM 722 CA GLU A 52 11.149 -0.703 -4.116 1.00 0.00 C ATOM 723 C GLU A 52 9.940 -0.112 -4.833 1.00 0.00 C ATOM 724 O GLU A 52 10.008 0.989 -5.380 1.00 0.00 O ATOM 725 CB GLU A 52 11.720 -1.867 -4.929 1.00 0.00 C ATOM 726 CG GLU A 52 12.689 -1.432 -6.015 1.00 0.00 C ATOM 727 CD GLU A 52 12.011 -0.647 -7.121 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.583 0.371 -7.562 1.00 0.00 O ATOM 729 OE2 GLU A 52 10.909 -1.052 -7.546 1.00 0.00 O ATOM 0 H GLU A 52 11.012 -2.127 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 52 11.909 0.073 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.229 -2.556 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.898 -2.418 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.476 -0.822 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.170 -2.312 -6.442 1.00 0.00 H new ATOM 734 N ILE A 53 8.836 -0.851 -4.829 1.00 0.00 N ATOM 735 CA ILE A 53 7.612 -0.399 -5.478 1.00 0.00 C ATOM 736 C ILE A 53 7.244 1.012 -5.037 1.00 0.00 C ATOM 737 O ILE A 53 6.827 1.840 -5.848 1.00 0.00 O ATOM 738 CB ILE A 53 6.433 -1.344 -5.177 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.608 -2.669 -5.922 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.116 -0.685 -5.557 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.884 -3.827 -5.274 1.00 0.00 C ATOM 0 H ILE A 53 8.764 -1.766 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 53 7.804 -0.402 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 53 6.417 -1.551 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.248 -2.552 -6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.671 -2.904 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.293 -1.365 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.990 0.234 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.120 -0.451 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.053 -4.733 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.261 -3.971 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.816 -3.613 -5.237 1.00 0.00 H new ATOM 752 N THR A 54 7.402 1.283 -3.745 1.00 0.00 N ATOM 753 CA THR A 54 7.087 2.595 -3.195 1.00 0.00 C ATOM 754 C THR A 54 8.039 3.659 -3.730 1.00 0.00 C ATOM 755 O THR A 54 7.619 4.591 -4.415 1.00 0.00 O ATOM 756 CB THR A 54 7.154 2.591 -1.656 1.00 0.00 C ATOM 757 OG1 THR A 54 7.047 1.250 -1.166 1.00 0.00 O ATOM 758 CG2 THR A 54 6.042 3.443 -1.064 1.00 0.00 C ATOM 0 H THR A 54 7.747 0.610 -3.060 1.00 0.00 H new ATOM 0 HA THR A 54 6.070 2.831 -3.507 1.00 0.00 H new ATOM 0 HB THR A 54 8.113 3.013 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.876 0.764 -1.359 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.110 3.425 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.143 4.469 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.075 3.046 -1.374 1.00 0.00 H new ATOM 766 N GLU A 55 9.322 3.511 -3.414 1.00 0.00 N ATOM 767 CA GLU A 55 10.333 4.461 -3.864 1.00 0.00 C ATOM 768 C GLU A 55 10.212 4.714 -5.364 1.00 0.00 C ATOM 769 O GLU A 55 10.372 5.842 -5.829 1.00 0.00 O ATOM 770 CB GLU A 55 11.734 3.943 -3.534 1.00 0.00 C ATOM 771 CG GLU A 55 12.524 4.864 -2.620 1.00 0.00 C ATOM 772 CD GLU A 55 13.910 5.169 -3.155 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.150 6.328 -3.555 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.754 4.250 -3.176 1.00 0.00 O ATOM 0 H GLU A 55 9.685 2.743 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 55 10.169 5.403 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.648 2.964 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.288 3.803 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.976 5.797 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.612 4.405 -1.635 1.00 0.00 H new ATOM 779 N ASN A 56 9.930 3.654 -6.116 1.00 0.00 N ATOM 780 CA ASN A 56 9.790 3.760 -7.564 1.00 0.00 C ATOM 781 C ASN A 56 8.625 4.674 -7.932 1.00 0.00 C ATOM 782 O ASN A 56 8.775 5.597 -8.733 1.00 0.00 O ATOM 783 CB ASN A 56 9.580 2.375 -8.179 1.00 0.00 C ATOM 784 CG ASN A 56 9.697 2.390 -9.691 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.721 2.798 -10.240 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.647 1.945 -10.370 1.00 0.00 N ATOM 0 H ASN A 56 9.794 2.713 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 56 10.708 4.192 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.314 1.683 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.596 2.001 -7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.667 1.931 -11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.820 1.616 -9.872 1.00 0.00 H new ATOM 792 N LEU A 57 7.465 4.413 -7.340 1.00 0.00 N ATOM 793 CA LEU A 57 6.273 5.212 -7.605 1.00 0.00 C ATOM 794 C LEU A 57 6.533 6.688 -7.320 1.00 0.00 C ATOM 795 O LEU A 57 6.375 7.536 -8.196 1.00 0.00 O ATOM 796 CB LEU A 57 5.102 4.715 -6.754 1.00 0.00 C ATOM 797 CG LEU A 57 3.980 4.002 -7.509 1.00 0.00 C ATOM 798 CD1 LEU A 57 4.091 2.495 -7.331 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.621 4.498 -7.038 1.00 0.00 C ATOM 0 H LEU A 57 7.324 3.654 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 57 6.020 5.103 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.492 4.035 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.674 5.568 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 57 4.080 4.230 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.284 2.004 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.051 2.153 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.018 2.247 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.834 3.980 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.511 4.300 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.543 5.570 -7.218 1.00 0.00 H new ATOM 810 N MET A 58 6.935 6.985 -6.088 1.00 0.00 N ATOM 811 CA MET A 58 7.222 8.359 -5.689 1.00 0.00 C ATOM 812 C MET A 58 8.125 9.044 -6.710 1.00 0.00 C ATOM 813 O MET A 58 8.073 10.263 -6.878 1.00 0.00 O ATOM 814 CB MET A 58 7.880 8.384 -4.309 1.00 0.00 C ATOM 815 CG MET A 58 7.475 9.581 -3.464 1.00 0.00 C ATOM 816 SD MET A 58 8.889 10.418 -2.721 1.00 0.00 S ATOM 817 CE MET A 58 8.998 9.565 -1.149 1.00 0.00 C ATOM 0 H MET A 58 7.069 6.294 -5.350 1.00 0.00 H new ATOM 0 HA MET A 58 6.279 8.903 -5.643 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.622 7.469 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.963 8.386 -4.432 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.924 10.288 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.797 9.252 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.720 10.073 -0.509 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.021 9.566 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.320 8.537 -1.314 1.00 0.00 H new ATOM 825 N ALA A 59 8.951 8.254 -7.388 1.00 0.00 N ATOM 826 CA ALA A 59 9.863 8.786 -8.392 1.00 0.00 C ATOM 827 C ALA A 59 9.131 9.087 -9.696 1.00 0.00 C ATOM 828 O ALA A 59 9.486 10.017 -10.419 1.00 0.00 O ATOM 829 CB ALA A 59 11.004 7.809 -8.639 1.00 0.00 C ATOM 0 H ALA A 59 9.007 7.244 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 59 10.275 9.721 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.678 8.219 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.552 7.647 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.600 6.860 -8.992 1.00 0.00 H new ATOM 835 N THR A 60 8.106 8.293 -9.989 1.00 0.00 N ATOM 836 CA THR A 60 7.324 8.474 -11.206 1.00 0.00 C ATOM 837 C THR A 60 6.129 9.389 -10.961 1.00 0.00 C ATOM 838 O THR A 60 5.033 9.142 -11.464 1.00 0.00 O ATOM 839 CB THR A 60 6.820 7.126 -11.755 1.00 0.00 C ATOM 840 OG1 THR A 60 6.363 6.298 -10.680 1.00 0.00 O ATOM 841 CG2 THR A 60 7.921 6.408 -12.522 1.00 0.00 C ATOM 0 H THR A 60 7.798 7.519 -9.401 1.00 0.00 H new ATOM 0 HA THR A 60 7.985 8.933 -11.941 1.00 0.00 H new ATOM 0 HB THR A 60 5.993 7.324 -12.437 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.563 6.696 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.541 5.459 -12.900 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.246 7.028 -13.358 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.765 6.223 -11.858 1.00 0.00 H new ATOM 849 N GLY A 61 6.348 10.447 -10.187 1.00 0.00 N ATOM 850 CA GLY A 61 5.280 11.383 -9.890 1.00 0.00 C ATOM 851 C GLY A 61 4.003 10.687 -9.458 1.00 0.00 C ATOM 852 O GLY A 61 2.937 10.924 -10.027 1.00 0.00 O ATOM 0 H GLY A 61 7.246 10.673 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.605 12.062 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.078 11.991 -10.772 1.00 0.00 H new ATOM 856 N ASP A 62 4.111 9.827 -8.452 1.00 0.00 N ATOM 857 CA ASP A 62 2.957 9.095 -7.945 1.00 0.00 C ATOM 858 C ASP A 62 2.556 9.602 -6.563 1.00 0.00 C ATOM 859 O ASP A 62 1.377 9.832 -6.292 1.00 0.00 O ATOM 860 CB ASP A 62 3.262 7.597 -7.884 1.00 0.00 C ATOM 861 CG ASP A 62 3.052 6.909 -9.218 1.00 0.00 C ATOM 862 OD1 ASP A 62 1.957 7.066 -9.800 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.980 6.214 -9.680 1.00 0.00 O ATOM 0 H ASP A 62 4.986 9.620 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 62 2.124 9.260 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.293 7.452 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.625 7.130 -7.133 1.00 0.00 H new ATOM 867 N LEU A 63 3.544 9.771 -5.691 1.00 0.00 N ATOM 868 CA LEU A 63 3.295 10.250 -4.335 1.00 0.00 C ATOM 869 C LEU A 63 3.695 11.715 -4.193 1.00 0.00 C ATOM 870 O LEU A 63 3.730 12.254 -3.087 1.00 0.00 O ATOM 871 CB LEU A 63 4.063 9.398 -3.324 1.00 0.00 C ATOM 872 CG LEU A 63 3.766 7.899 -3.346 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.629 7.402 -4.776 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.854 7.128 -2.613 1.00 0.00 C ATOM 0 H LEU A 63 4.525 9.584 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 63 2.227 10.164 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.130 9.539 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.849 9.776 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 63 2.820 7.729 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.418 6.333 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.813 7.931 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.558 7.586 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.625 6.063 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.814 7.305 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.903 7.463 -1.577 1.00 0.00 H new ATOM 885 N ASP A 64 3.995 12.353 -5.319 1.00 0.00 N ATOM 886 CA ASP A 64 4.390 13.757 -5.320 1.00 0.00 C ATOM 887 C ASP A 64 3.276 14.635 -4.759 1.00 0.00 C ATOM 888 O ASP A 64 3.509 15.784 -4.383 1.00 0.00 O ATOM 889 CB ASP A 64 4.746 14.207 -6.738 1.00 0.00 C ATOM 890 CG ASP A 64 5.635 15.435 -6.749 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.588 16.193 -7.740 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.378 15.638 -5.766 1.00 0.00 O ATOM 0 H ASP A 64 3.972 11.921 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 64 5.268 13.863 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.250 13.393 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.830 14.420 -7.289 1.00 0.00 H new ATOM 896 N GLN A 65 2.067 14.087 -4.706 1.00 0.00 N ATOM 897 CA GLN A 65 0.917 14.822 -4.192 1.00 0.00 C ATOM 898 C GLN A 65 1.207 15.387 -2.806 1.00 0.00 C ATOM 899 O GLN A 65 1.019 16.578 -2.559 1.00 0.00 O ATOM 900 CB GLN A 65 -0.312 13.914 -4.138 1.00 0.00 C ATOM 901 CG GLN A 65 -1.245 14.222 -2.978 1.00 0.00 C ATOM 902 CD GLN A 65 -2.497 13.365 -2.992 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.502 12.262 -3.540 1.00 0.00 O ATOM 904 NE2 GLN A 65 -3.565 13.868 -2.386 1.00 0.00 N ATOM 0 H GLN A 65 1.858 13.137 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 65 0.717 15.653 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.865 14.008 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.016 12.877 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.714 14.067 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.529 15.274 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.516 14.786 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.435 13.336 -2.361 1.00 0.00 H new ATOM 911 N ASP A 66 1.667 14.526 -1.906 1.00 0.00 N ATOM 912 CA ASP A 66 1.985 14.939 -0.544 1.00 0.00 C ATOM 913 C ASP A 66 3.166 14.144 0.004 1.00 0.00 C ATOM 914 O ASP A 66 3.908 14.626 0.860 1.00 0.00 O ATOM 915 CB ASP A 66 0.768 14.758 0.364 1.00 0.00 C ATOM 916 CG ASP A 66 0.437 16.013 1.147 1.00 0.00 C ATOM 917 OD1 ASP A 66 -0.394 16.811 0.666 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.008 16.196 2.242 1.00 0.00 O ATOM 0 H ASP A 66 1.828 13.537 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 66 2.259 15.994 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.093 14.473 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.955 13.939 1.058 1.00 0.00 H new ATOM 922 N GLY A 67 3.335 12.923 -0.496 1.00 0.00 N ATOM 923 CA GLY A 67 4.426 12.081 -0.044 1.00 0.00 C ATOM 924 C GLY A 67 3.941 10.851 0.696 1.00 0.00 C ATOM 925 O GLY A 67 4.566 9.792 0.629 1.00 0.00 O ATOM 0 H GLY A 67 2.735 12.503 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.023 11.773 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.081 12.659 0.608 1.00 0.00 H new ATOM 929 N ARG A 68 2.826 10.990 1.405 1.00 0.00 N ATOM 930 CA ARG A 68 2.260 9.882 2.163 1.00 0.00 C ATOM 931 C ARG A 68 1.760 8.782 1.229 1.00 0.00 C ATOM 932 O ARG A 68 2.018 8.813 0.026 1.00 0.00 O ATOM 933 CB ARG A 68 1.112 10.374 3.047 1.00 0.00 C ATOM 934 CG ARG A 68 1.401 11.694 3.741 1.00 0.00 C ATOM 935 CD ARG A 68 0.981 11.659 5.202 1.00 0.00 C ATOM 936 NE ARG A 68 1.899 12.411 6.054 1.00 0.00 N ATOM 937 CZ ARG A 68 1.974 12.254 7.371 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.189 11.378 7.983 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.835 12.975 8.077 1.00 0.00 N ATOM 0 H ARG A 68 2.297 11.860 1.470 1.00 0.00 H new ATOM 0 HA ARG A 68 3.046 9.469 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.216 10.483 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.895 9.617 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.466 11.917 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.874 12.499 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.024 12.070 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.937 10.624 5.542 1.00 0.00 H new ATOM 0 HE ARG A 68 2.516 13.094 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.526 10.823 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.248 11.259 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.439 13.650 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.893 12.854 9.088 1.00 0.00 H new ATOM 950 N ILE A 69 1.048 7.813 1.793 1.00 0.00 N ATOM 951 CA ILE A 69 0.513 6.705 1.010 1.00 0.00 C ATOM 952 C ILE A 69 -0.869 6.297 1.508 1.00 0.00 C ATOM 953 O ILE A 69 -1.002 5.666 2.556 1.00 0.00 O ATOM 954 CB ILE A 69 1.446 5.481 1.058 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.852 5.866 0.595 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.889 4.357 0.197 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.883 4.784 0.830 1.00 0.00 C ATOM 0 H ILE A 69 0.828 7.772 2.788 1.00 0.00 H new ATOM 0 HA ILE A 69 0.437 7.054 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 69 1.506 5.129 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.823 6.104 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.162 6.772 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.559 3.499 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.095 4.068 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.803 4.698 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.856 5.126 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.940 4.561 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.596 3.884 0.286 1.00 0.00 H new ATOM 968 N SER A 70 -1.898 6.661 0.749 1.00 0.00 N ATOM 969 CA SER A 70 -3.271 6.335 1.113 1.00 0.00 C ATOM 970 C SER A 70 -3.598 4.888 0.755 1.00 0.00 C ATOM 971 O SER A 70 -2.980 4.300 -0.132 1.00 0.00 O ATOM 972 CB SER A 70 -4.246 7.280 0.408 1.00 0.00 C ATOM 973 OG SER A 70 -3.682 7.800 -0.783 1.00 0.00 O ATOM 0 H SER A 70 -1.806 7.182 -0.123 1.00 0.00 H new ATOM 0 HA SER A 70 -3.374 6.457 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.168 6.748 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.511 8.099 1.076 1.00 0.00 H new ATOM 0 HG SER A 70 -3.262 8.665 -0.595 1.00 0.00 H new ATOM 978 N PHE A 71 -4.577 4.320 1.453 1.00 0.00 N ATOM 979 CA PHE A 71 -4.988 2.943 1.211 1.00 0.00 C ATOM 980 C PHE A 71 -5.201 2.692 -0.279 1.00 0.00 C ATOM 981 O PHE A 71 -4.994 1.582 -0.769 1.00 0.00 O ATOM 982 CB PHE A 71 -6.272 2.628 1.982 1.00 0.00 C ATOM 983 CG PHE A 71 -6.574 1.159 2.069 1.00 0.00 C ATOM 984 CD1 PHE A 71 -7.882 0.705 2.039 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.549 0.234 2.181 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.164 -0.646 2.120 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.825 -1.118 2.261 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.134 -1.559 2.231 1.00 0.00 C ATOM 0 H PHE A 71 -5.100 4.793 2.190 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.192 2.286 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.190 3.034 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.109 3.135 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.691 1.415 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.524 0.573 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.189 -0.987 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.017 -1.830 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.351 -2.615 2.294 1.00 0.00 H new ATOM 997 N ASP A 72 -5.616 3.732 -0.994 1.00 0.00 N ATOM 998 CA ASP A 72 -5.858 3.626 -2.428 1.00 0.00 C ATOM 999 C ASP A 72 -4.599 3.171 -3.159 1.00 0.00 C ATOM 1000 O ASP A 72 -4.621 2.189 -3.900 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.330 4.969 -2.988 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.194 5.048 -4.496 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -7.214 4.871 -5.194 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -5.067 5.287 -4.978 1.00 0.00 O ATOM 0 H ASP A 72 -5.792 4.658 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.638 2.881 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.372 5.129 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.752 5.773 -2.531 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.502 3.892 -2.945 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.235 3.563 -3.585 1.00 0.00 C ATOM 1010 C GLU A 73 -1.791 2.150 -3.219 1.00 0.00 C ATOM 1011 O GLU A 73 -1.326 1.392 -4.071 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.156 4.569 -3.178 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.797 5.554 -4.279 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.666 6.795 -4.256 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.184 7.177 -5.327 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.830 7.387 -3.169 1.00 0.00 O ATOM 0 H GLU A 73 -3.466 4.707 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.380 3.612 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.498 5.123 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.259 4.026 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.248 5.845 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.896 5.063 -5.247 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.938 1.801 -1.944 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.552 0.479 -1.464 1.00 0.00 C ATOM 1023 C PHE A 74 -2.261 -0.616 -2.255 1.00 0.00 C ATOM 1024 O PHE A 74 -1.624 -1.533 -2.774 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.877 0.340 0.025 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.583 -1.025 0.577 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.447 -1.250 1.338 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.443 -2.084 0.336 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.173 -2.505 1.848 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.175 -3.342 0.843 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.039 -3.552 1.599 1.00 0.00 C ATOM 0 H PHE A 74 -2.321 2.415 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.477 0.367 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.305 1.080 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.932 0.567 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.233 -0.434 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.333 -1.925 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.716 -2.667 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.853 -4.159 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.828 -4.534 1.995 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.583 -0.513 -2.343 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.378 -1.494 -3.070 1.00 0.00 C ATOM 1042 C ILE A 75 -3.927 -1.600 -4.523 1.00 0.00 C ATOM 1043 O ILE A 75 -3.504 -2.663 -4.978 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.877 -1.141 -3.035 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.408 -1.217 -1.602 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.662 -2.073 -3.947 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.264 -2.588 -0.977 1.00 0.00 C ATOM 0 H ILE A 75 -4.126 0.240 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.226 -2.453 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.003 -0.120 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.878 -0.489 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.460 -0.933 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.719 -1.811 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.298 -1.974 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.532 -3.103 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.661 -2.569 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.817 -3.318 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.211 -2.867 -0.950 1.00 0.00 H new ATOM 1058 N LYS A 76 -4.016 -0.490 -5.247 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.614 -0.454 -6.648 1.00 0.00 C ATOM 1060 C LYS A 76 -2.190 -0.976 -6.818 1.00 0.00 C ATOM 1061 O LYS A 76 -1.876 -1.636 -7.809 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.714 0.972 -7.193 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.909 1.036 -8.698 1.00 0.00 C ATOM 1064 CD LYS A 76 -4.257 2.442 -9.156 1.00 0.00 C ATOM 1065 CE LYS A 76 -3.731 2.718 -10.557 1.00 0.00 C ATOM 1066 NZ LYS A 76 -2.244 2.655 -10.613 1.00 0.00 N ATOM 0 H LYS A 76 -4.364 0.398 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.289 -1.099 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.546 1.481 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.808 1.517 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.999 0.704 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.703 0.350 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.339 2.574 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.837 3.167 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.152 1.992 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.065 3.703 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.886 3.425 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.856 2.755 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.950 1.741 -11.012 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.335 -0.678 -5.846 1.00 0.00 N ATOM 1077 CA ILE A 77 0.054 -1.120 -5.888 1.00 0.00 C ATOM 1078 C ILE A 77 0.155 -2.631 -5.710 1.00 0.00 C ATOM 1079 O ILE A 77 0.970 -3.290 -6.358 1.00 0.00 O ATOM 1080 CB ILE A 77 0.898 -0.428 -4.802 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.268 0.991 -5.240 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.149 -1.240 -4.506 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.508 1.938 -4.084 1.00 0.00 C ATOM 0 H ILE A 77 -1.579 -0.132 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 77 0.444 -0.845 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 77 0.306 -0.363 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.165 0.949 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.469 1.389 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.735 -0.738 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.864 -2.232 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.746 -1.333 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.766 2.925 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.604 2.009 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.327 1.563 -3.470 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.678 -3.174 -4.829 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.683 -4.608 -4.566 1.00 0.00 C ATOM 1096 C PHE A 78 -1.141 -5.386 -5.796 1.00 0.00 C ATOM 1097 O PHE A 78 -0.554 -6.408 -6.152 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.594 -4.927 -3.379 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.500 -6.354 -2.917 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.288 -6.885 -2.506 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.624 -7.164 -2.895 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.198 -8.197 -2.081 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.540 -8.476 -2.469 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.325 -8.994 -2.063 1.00 0.00 C ATOM 0 H PHE A 78 -1.358 -2.643 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 78 0.336 -4.911 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.340 -4.267 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.626 -4.710 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.597 -6.266 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.576 -6.766 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.753 -8.598 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.424 -9.096 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.257 -10.020 -1.732 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.193 -4.894 -6.441 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.732 -5.542 -7.632 1.00 0.00 C ATOM 1115 C HIS A 79 -1.786 -5.371 -8.817 1.00 0.00 C ATOM 1116 O HIS A 79 -1.659 -6.261 -9.657 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.106 -4.967 -7.975 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.169 -6.010 -8.135 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.972 -6.602 -7.220 1.00 0.00 N flip ATOM 1120 CD2 HIS A 79 -5.504 -6.562 -9.353 1.00 0.00 C flip ATOM 1121 CE1 HIS A 79 -6.771 -7.492 -7.896 1.00 0.00 C flip ATOM 1122 NE2 HIS A 79 -6.468 -7.448 -9.181 1.00 0.00 N flip ATOM 0 H HIS A 79 -2.690 -4.049 -6.160 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.835 -6.606 -7.421 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.406 -4.272 -7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.030 -4.393 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.049 -6.309 -10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.524 -8.124 -7.450 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.905 -8.004 -9.916 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.123 -4.220 -8.879 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.199 -3.954 -9.966 1.00 0.00 C ATOM 1131 C GLY A 80 -0.908 -3.659 -11.272 1.00 0.00 C ATOM 1132 O GLY A 80 -0.683 -4.335 -12.277 1.00 0.00 O ATOM 0 H GLY A 80 -1.209 -3.467 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.434 -3.107 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.457 -4.814 -10.099 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.771 -2.648 -11.260 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.519 -2.266 -12.453 1.00 0.00 C ATOM 1138 C LEU A 81 -2.512 -0.753 -12.638 1.00 0.00 C ATOM 1139 O LEU A 81 -2.795 0.000 -11.706 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.958 -2.774 -12.361 1.00 0.00 C ATOM 1141 CG LEU A 81 -4.880 -2.011 -11.408 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -5.704 -0.985 -12.170 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -5.786 -2.975 -10.656 1.00 0.00 C ATOM 0 H LEU A 81 -1.970 -2.078 -10.437 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.035 -2.721 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.396 -2.746 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.934 -3.819 -12.052 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.263 -1.483 -10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.354 -0.452 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.038 -0.276 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.312 -1.491 -12.920 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.435 -2.415 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.396 -3.532 -11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.177 -3.670 -10.078 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.189 -0.311 -13.849 1.00 0.00 N ATOM 1155 CA LYS A 82 -2.148 1.114 -14.159 1.00 0.00 C ATOM 1156 C LYS A 82 -3.288 1.498 -15.098 1.00 0.00 C ATOM 1157 O LYS A 82 -3.067 2.134 -16.129 1.00 0.00 O ATOM 1158 CB LYS A 82 -0.805 1.480 -14.793 1.00 0.00 C ATOM 1159 CG LYS A 82 -0.352 0.505 -15.867 1.00 0.00 C ATOM 1160 CD LYS A 82 0.536 -0.585 -15.290 1.00 0.00 C ATOM 1161 CE LYS A 82 1.501 -1.127 -16.334 1.00 0.00 C ATOM 1162 NZ LYS A 82 0.798 -1.526 -17.584 1.00 0.00 N ATOM 0 H LYS A 82 -1.952 -0.919 -14.632 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.265 1.668 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.878 2.477 -15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.045 1.526 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.223 0.053 -16.341 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.190 1.044 -16.644 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.098 -0.189 -14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.083 -1.397 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.250 -0.369 -16.564 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.032 -1.987 -15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.435 -2.101 -18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.048 -2.082 -17.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.515 -0.675 -18.110 1.00 0.00 H new TER 1172 LYS A 82