USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 Single : A 2 SER OG : rot 127:sc= 1.26 USER MOD Single : A 5 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-0.13) USER MOD Single : A 9 THR OG1 : rot -64:sc= 0.483 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 86:sc= 0.711 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -36:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ -98:sc= -0.0443 (180deg=-0.54) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00476) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.575 K(o=0.58,f=-3.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-0.59) USER MOD Single : A 58 SER OG : rot -173:sc= -0.385 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.088 -12.704 -0.167 1.00 0.00 N ATOM 9 CA SER A 2 -2.713 -12.341 -0.483 1.00 0.00 C ATOM 10 C SER A 2 -2.349 -10.909 -0.117 1.00 0.00 C ATOM 11 O SER A 2 -1.324 -10.620 0.506 1.00 0.00 O ATOM 12 CB SER A 2 -2.522 -12.524 -1.997 1.00 0.00 C ATOM 13 OG SER A 2 -3.714 -12.830 -2.714 1.00 0.00 O ATOM 0 HA SER A 2 -2.062 -12.984 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.091 -11.611 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.798 -13.322 -2.164 1.00 0.00 H new ATOM 0 HG SER A 2 -3.820 -12.200 -3.457 1.00 0.00 H new ATOM 19 N GLU A 3 -3.168 -10.011 -0.634 1.00 0.00 N ATOM 20 CA GLU A 3 -2.964 -8.570 -0.604 1.00 0.00 C ATOM 21 C GLU A 3 -3.288 -8.073 0.804 1.00 0.00 C ATOM 22 O GLU A 3 -2.554 -7.287 1.391 1.00 0.00 O ATOM 23 CB GLU A 3 -3.841 -7.879 -1.668 1.00 0.00 C ATOM 24 CG GLU A 3 -3.777 -8.497 -3.081 1.00 0.00 C ATOM 25 CD GLU A 3 -4.539 -9.830 -3.229 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.386 -10.152 -2.365 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.159 -10.640 -4.110 1.00 0.00 O ATOM 0 H GLU A 3 -4.032 -10.276 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.928 -8.326 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.877 -7.897 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.545 -6.832 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.181 -7.780 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.732 -8.658 -3.347 1.00 0.00 H new ATOM 34 N GLU A 4 -4.356 -8.614 1.377 1.00 0.00 N ATOM 35 CA GLU A 4 -4.841 -8.359 2.728 1.00 0.00 C ATOM 36 C GLU A 4 -3.720 -8.657 3.732 1.00 0.00 C ATOM 37 O GLU A 4 -3.479 -7.892 4.667 1.00 0.00 O ATOM 38 CB GLU A 4 -6.051 -9.273 2.992 1.00 0.00 C ATOM 39 CG GLU A 4 -7.137 -9.277 1.891 1.00 0.00 C ATOM 40 CD GLU A 4 -7.847 -10.623 1.777 1.00 0.00 C ATOM 41 OE1 GLU A 4 -7.950 -11.354 2.792 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.169 -11.022 0.637 1.00 0.00 O ATOM 0 H GLU A 4 -4.943 -9.284 0.880 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.141 -7.317 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.691 -10.293 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.513 -8.972 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.870 -8.500 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.680 -9.028 0.933 1.00 0.00 H new ATOM 49 N HIS A 5 -2.992 -9.752 3.496 1.00 0.00 N ATOM 50 CA HIS A 5 -1.866 -10.179 4.309 1.00 0.00 C ATOM 51 C HIS A 5 -0.727 -9.166 4.205 1.00 0.00 C ATOM 52 O HIS A 5 -0.057 -8.888 5.194 1.00 0.00 O ATOM 53 CB HIS A 5 -1.409 -11.567 3.839 1.00 0.00 C ATOM 54 CG HIS A 5 -0.333 -12.159 4.723 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.511 -13.161 5.648 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.963 -11.732 4.834 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.654 -13.351 6.287 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.581 -12.494 5.829 1.00 0.00 N ATOM 0 H HIS A 5 -3.180 -10.377 2.712 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.167 -10.238 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.267 -12.239 3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.035 -11.495 2.818 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.425 -10.946 4.255 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.822 -14.088 7.059 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.547 -12.415 6.146 1.00 0.00 H new ATOM 66 N PHE A 6 -0.469 -8.612 3.020 1.00 0.00 N ATOM 67 CA PHE A 6 0.535 -7.570 2.837 1.00 0.00 C ATOM 68 C PHE A 6 0.208 -6.322 3.666 1.00 0.00 C ATOM 69 O PHE A 6 1.087 -5.770 4.327 1.00 0.00 O ATOM 70 CB PHE A 6 0.697 -7.256 1.352 1.00 0.00 C ATOM 71 CG PHE A 6 1.913 -6.406 1.057 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.202 -6.965 1.101 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.760 -5.036 0.795 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.331 -6.156 0.884 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.888 -4.222 0.588 1.00 0.00 C ATOM 76 CZ PHE A 6 4.176 -4.781 0.627 1.00 0.00 C ATOM 0 H PHE A 6 -0.952 -8.875 2.161 1.00 0.00 H new ATOM 0 HA PHE A 6 1.493 -7.937 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.769 -8.190 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.195 -6.741 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.325 -8.019 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.771 -4.604 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.319 -6.590 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.764 -3.166 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.043 -4.159 0.461 1.00 0.00 H new ATOM 86 N VAL A 7 -1.060 -5.899 3.677 1.00 0.00 N ATOM 87 CA VAL A 7 -1.508 -4.792 4.526 1.00 0.00 C ATOM 88 C VAL A 7 -1.282 -5.127 6.002 1.00 0.00 C ATOM 89 O VAL A 7 -0.951 -4.246 6.799 1.00 0.00 O ATOM 90 CB VAL A 7 -2.983 -4.436 4.235 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.479 -3.246 5.068 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.178 -4.067 2.764 1.00 0.00 C ATOM 0 H VAL A 7 -1.797 -6.309 3.104 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.913 -3.909 4.293 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.554 -5.327 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.521 -3.040 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.396 -3.484 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.873 -2.368 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.225 -3.821 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.556 -3.206 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.892 -4.911 2.136 1.00 0.00 H new ATOM 102 N GLU A 8 -1.452 -6.394 6.375 1.00 0.00 N ATOM 103 CA GLU A 8 -1.244 -6.832 7.745 1.00 0.00 C ATOM 104 C GLU A 8 0.240 -6.767 8.095 1.00 0.00 C ATOM 105 O GLU A 8 0.590 -6.161 9.103 1.00 0.00 O ATOM 106 CB GLU A 8 -1.860 -8.214 7.988 1.00 0.00 C ATOM 107 CG GLU A 8 -1.641 -8.597 9.457 1.00 0.00 C ATOM 108 CD GLU A 8 -2.413 -9.842 9.864 1.00 0.00 C ATOM 109 OE1 GLU A 8 -1.971 -10.971 9.554 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.441 -9.686 10.575 1.00 0.00 O ATOM 0 H GLU A 8 -1.736 -7.138 5.738 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.764 -6.153 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.925 -8.199 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.401 -8.953 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.578 -8.762 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.942 -7.765 10.093 1.00 0.00 H new ATOM 117 N THR A 9 1.111 -7.335 7.263 1.00 0.00 N ATOM 118 CA THR A 9 2.524 -7.499 7.587 1.00 0.00 C ATOM 119 C THR A 9 3.169 -6.130 7.844 1.00 0.00 C ATOM 120 O THR A 9 3.935 -5.962 8.804 1.00 0.00 O ATOM 121 CB THR A 9 3.276 -8.252 6.469 1.00 0.00 C ATOM 122 OG1 THR A 9 2.587 -8.377 5.241 1.00 0.00 O ATOM 123 CG2 THR A 9 3.707 -9.669 6.836 1.00 0.00 C ATOM 0 H THR A 9 0.855 -7.695 6.344 1.00 0.00 H new ATOM 0 HA THR A 9 2.595 -8.100 8.494 1.00 0.00 H new ATOM 0 HB THR A 9 4.137 -7.594 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.780 -8.918 5.372 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.227 -10.121 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.374 -9.635 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.828 -10.265 7.081 1.00 0.00 H new ATOM 131 N VAL A 10 2.840 -5.151 6.994 1.00 0.00 N ATOM 132 CA VAL A 10 3.333 -3.792 7.123 1.00 0.00 C ATOM 133 C VAL A 10 2.777 -3.135 8.390 1.00 0.00 C ATOM 134 O VAL A 10 3.522 -2.392 9.024 1.00 0.00 O ATOM 135 CB VAL A 10 3.017 -2.992 5.845 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.472 -1.543 5.953 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.746 -3.544 4.624 1.00 0.00 C ATOM 0 H VAL A 10 2.220 -5.289 6.196 1.00 0.00 H new ATOM 0 HA VAL A 10 4.417 -3.806 7.232 1.00 0.00 H new ATOM 0 HB VAL A 10 1.935 -3.070 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.230 -1.016 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.963 -1.063 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.549 -1.511 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.492 -2.947 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.822 -3.501 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.446 -4.579 4.458 1.00 0.00 H new ATOM 147 N SER A 11 1.531 -3.407 8.798 1.00 0.00 N ATOM 148 CA SER A 11 0.973 -2.876 10.040 1.00 0.00 C ATOM 149 C SER A 11 1.876 -3.257 11.217 1.00 0.00 C ATOM 150 O SER A 11 2.190 -2.416 12.066 1.00 0.00 O ATOM 151 CB SER A 11 -0.485 -3.360 10.214 1.00 0.00 C ATOM 152 OG SER A 11 -0.818 -3.743 11.540 1.00 0.00 O ATOM 0 H SER A 11 0.886 -4.000 8.276 1.00 0.00 H new ATOM 0 HA SER A 11 0.940 -1.787 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.160 -2.565 9.897 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.656 -4.207 9.550 1.00 0.00 H new ATOM 0 HG SER A 11 -1.753 -4.035 11.571 1.00 0.00 H new ATOM 158 N LEU A 12 2.327 -4.514 11.265 1.00 0.00 N ATOM 159 CA LEU A 12 3.131 -5.011 12.379 1.00 0.00 C ATOM 160 C LEU A 12 4.484 -4.303 12.420 1.00 0.00 C ATOM 161 O LEU A 12 4.984 -3.998 13.500 1.00 0.00 O ATOM 162 CB LEU A 12 3.353 -6.535 12.323 1.00 0.00 C ATOM 163 CG LEU A 12 2.192 -7.381 11.772 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.560 -8.862 11.683 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.899 -7.235 12.575 1.00 0.00 C ATOM 0 H LEU A 12 2.146 -5.208 10.539 1.00 0.00 H new ATOM 0 HA LEU A 12 2.568 -4.793 13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.235 -6.728 11.713 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.580 -6.883 13.331 1.00 0.00 H new ATOM 0 HG LEU A 12 2.010 -6.989 10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.713 -9.424 11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.417 -8.985 11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.813 -9.234 12.676 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.123 -7.858 12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.072 -7.549 13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.579 -6.193 12.563 1.00 0.00 H new ATOM 177 N ALA A 13 5.070 -4.051 11.246 1.00 0.00 N ATOM 178 CA ALA A 13 6.349 -3.370 11.084 1.00 0.00 C ATOM 179 C ALA A 13 6.230 -1.842 11.202 1.00 0.00 C ATOM 180 O ALA A 13 7.243 -1.150 11.353 1.00 0.00 O ATOM 181 CB ALA A 13 6.908 -3.764 9.711 1.00 0.00 C ATOM 0 H ALA A 13 4.651 -4.325 10.357 1.00 0.00 H new ATOM 0 HA ALA A 13 7.019 -3.677 11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.868 -3.272 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.043 -4.845 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.211 -3.456 8.932 1.00 0.00 H new ATOM 187 N GLY A 14 5.018 -1.300 11.066 1.00 0.00 N ATOM 188 CA GLY A 14 4.758 0.126 10.939 1.00 0.00 C ATOM 189 C GLY A 14 5.437 0.754 9.719 1.00 0.00 C ATOM 190 O GLY A 14 5.513 1.985 9.643 1.00 0.00 O ATOM 0 H GLY A 14 4.168 -1.863 11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.682 0.289 10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.102 0.634 11.840 1.00 0.00 H new ATOM 194 N SER A 15 5.980 -0.038 8.783 1.00 0.00 N ATOM 195 CA SER A 15 6.864 0.438 7.728 1.00 0.00 C ATOM 196 C SER A 15 7.134 -0.682 6.707 1.00 0.00 C ATOM 197 O SER A 15 6.817 -1.852 6.958 1.00 0.00 O ATOM 198 CB SER A 15 8.138 1.007 8.400 1.00 0.00 C ATOM 199 OG SER A 15 9.306 0.240 8.177 1.00 0.00 O ATOM 0 H SER A 15 5.810 -1.043 8.744 1.00 0.00 H new ATOM 0 HA SER A 15 6.407 1.241 7.149 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.307 2.019 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.966 1.082 9.474 1.00 0.00 H new ATOM 0 HG SER A 15 10.066 0.662 8.630 1.00 0.00 H new ATOM 205 N TYR A 16 7.714 -0.341 5.551 1.00 0.00 N ATOM 206 CA TYR A 16 8.186 -1.296 4.543 1.00 0.00 C ATOM 207 C TYR A 16 9.359 -0.682 3.788 1.00 0.00 C ATOM 208 O TYR A 16 9.210 0.405 3.241 1.00 0.00 O ATOM 209 CB TYR A 16 7.061 -1.634 3.549 1.00 0.00 C ATOM 210 CG TYR A 16 7.375 -2.796 2.621 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.116 -4.106 3.049 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.913 -2.592 1.338 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.399 -5.212 2.237 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.186 -3.694 0.500 1.00 0.00 C ATOM 215 CZ TYR A 16 7.952 -5.011 0.953 1.00 0.00 C ATOM 216 OH TYR A 16 8.263 -6.054 0.134 1.00 0.00 O ATOM 0 H TYR A 16 7.872 0.631 5.284 1.00 0.00 H new ATOM 0 HA TYR A 16 8.498 -2.213 5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.155 -1.866 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.847 -0.751 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.688 -4.266 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.118 -1.589 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.196 -6.212 2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.576 -3.529 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 16 8.631 -5.711 -0.707 1.00 0.00 H new ATOM 226 N ARG A 17 10.491 -1.380 3.671 1.00 0.00 N ATOM 227 CA ARG A 17 11.741 -0.940 3.043 1.00 0.00 C ATOM 228 C ARG A 17 12.256 0.377 3.634 1.00 0.00 C ATOM 229 O ARG A 17 13.006 0.333 4.605 1.00 0.00 O ATOM 230 CB ARG A 17 11.549 -0.897 1.518 1.00 0.00 C ATOM 231 CG ARG A 17 11.160 -2.249 0.906 1.00 0.00 C ATOM 232 CD ARG A 17 12.354 -3.038 0.388 1.00 0.00 C ATOM 233 NE ARG A 17 13.061 -3.746 1.467 1.00 0.00 N ATOM 234 CZ ARG A 17 12.715 -4.941 1.967 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.655 -5.594 1.498 1.00 0.00 N ATOM 236 NH2 ARG A 17 13.439 -5.479 2.933 1.00 0.00 N ATOM 0 H ARG A 17 10.565 -2.330 4.036 1.00 0.00 H new ATOM 0 HA ARG A 17 12.529 -1.661 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.778 -0.165 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.473 -0.551 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.638 -2.843 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.460 -2.082 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.016 -3.758 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.045 -2.361 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 17 13.881 -3.291 1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.095 -5.186 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.402 -6.502 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.255 -4.985 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.181 -6.388 3.318 1.00 0.00 H new ATOM 250 N ASP A 18 11.818 1.532 3.134 1.00 0.00 N ATOM 251 CA ASP A 18 12.113 2.869 3.679 1.00 0.00 C ATOM 252 C ASP A 18 10.846 3.708 3.859 1.00 0.00 C ATOM 253 O ASP A 18 10.905 4.887 4.224 1.00 0.00 O ATOM 254 CB ASP A 18 13.078 3.627 2.756 1.00 0.00 C ATOM 255 CG ASP A 18 14.038 4.540 3.534 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.604 4.059 4.541 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.323 5.681 3.100 1.00 0.00 O ATOM 0 H ASP A 18 11.224 1.570 2.306 1.00 0.00 H new ATOM 0 HA ASP A 18 12.571 2.715 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.656 2.911 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.505 4.226 2.049 1.00 0.00 H new ATOM 262 N TRP A 19 9.695 3.119 3.545 1.00 0.00 N ATOM 263 CA TRP A 19 8.376 3.699 3.640 1.00 0.00 C ATOM 264 C TRP A 19 7.839 3.510 5.050 1.00 0.00 C ATOM 265 O TRP A 19 8.218 2.573 5.753 1.00 0.00 O ATOM 266 CB TRP A 19 7.420 2.985 2.676 1.00 0.00 C ATOM 267 CG TRP A 19 7.759 3.006 1.223 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.845 2.455 0.642 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.015 3.636 0.146 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.831 2.711 -0.711 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.727 3.447 -1.069 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.817 4.367 0.080 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.265 3.957 -2.285 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.341 4.895 -1.125 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.067 4.688 -2.313 1.00 0.00 C ATOM 0 H TRP A 19 9.667 2.161 3.195 1.00 0.00 H new ATOM 0 HA TRP A 19 8.443 4.758 3.391 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.345 1.943 2.988 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.431 3.426 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.611 1.897 1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.548 2.395 -1.364 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.248 4.526 0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.824 3.790 -3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.420 5.459 -1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.702 5.092 -3.246 1.00 0.00 H new ATOM 286 N SER A 20 6.848 4.316 5.392 1.00 0.00 N ATOM 287 CA SER A 20 6.191 4.415 6.677 1.00 0.00 C ATOM 288 C SER A 20 4.744 4.001 6.467 1.00 0.00 C ATOM 289 O SER A 20 4.110 4.443 5.512 1.00 0.00 O ATOM 290 CB SER A 20 6.278 5.872 7.147 1.00 0.00 C ATOM 291 OG SER A 20 7.371 6.040 8.034 1.00 0.00 O ATOM 0 H SER A 20 6.452 4.971 4.718 1.00 0.00 H new ATOM 0 HA SER A 20 6.653 3.777 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.394 6.532 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.351 6.157 7.644 1.00 0.00 H new ATOM 0 HG SER A 20 7.416 6.975 8.325 1.00 0.00 H new ATOM 297 N TYR A 21 4.214 3.137 7.326 1.00 0.00 N ATOM 298 CA TYR A 21 2.785 2.865 7.384 1.00 0.00 C ATOM 299 C TYR A 21 2.019 4.149 7.742 1.00 0.00 C ATOM 300 O TYR A 21 2.600 5.156 8.171 1.00 0.00 O ATOM 301 CB TYR A 21 2.556 1.717 8.379 1.00 0.00 C ATOM 302 CG TYR A 21 1.159 1.129 8.421 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.690 0.355 7.341 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.351 1.293 9.561 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.561 -0.277 7.413 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.916 0.688 9.631 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.362 -0.124 8.564 1.00 0.00 C ATOM 308 OH TYR A 21 -2.556 -0.770 8.623 1.00 0.00 O ATOM 0 H TYR A 21 4.764 2.606 8.001 1.00 0.00 H new ATOM 0 HA TYR A 21 2.400 2.548 6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.257 0.916 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.806 2.076 9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.296 0.248 6.454 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.707 1.888 10.389 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.910 -0.880 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.545 0.843 10.495 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.994 -0.570 9.476 1.00 0.00 H new ATOM 318 N SER A 22 0.716 4.123 7.500 1.00 0.00 N ATOM 319 CA SER A 22 -0.225 5.189 7.750 1.00 0.00 C ATOM 320 C SER A 22 -1.446 4.530 8.390 1.00 0.00 C ATOM 321 O SER A 22 -1.338 4.021 9.493 1.00 0.00 O ATOM 322 CB SER A 22 -0.503 5.923 6.441 1.00 0.00 C ATOM 323 OG SER A 22 0.687 6.289 5.770 1.00 0.00 O ATOM 0 H SER A 22 0.266 3.301 7.098 1.00 0.00 H new ATOM 0 HA SER A 22 0.142 5.956 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.104 5.287 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.092 6.817 6.646 1.00 0.00 H new ATOM 0 HG SER A 22 0.995 5.540 5.219 1.00 0.00 H new ATOM 329 N GLY A 23 -2.600 4.486 7.712 1.00 0.00 N ATOM 330 CA GLY A 23 -3.812 3.897 8.266 1.00 0.00 C ATOM 331 C GLY A 23 -4.890 4.954 8.480 1.00 0.00 C ATOM 332 O GLY A 23 -5.858 4.709 9.193 1.00 0.00 O ATOM 0 H GLY A 23 -2.713 4.858 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.185 3.125 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.583 3.410 9.214 1.00 0.00 H new ATOM 336 N GLN A 24 -4.777 6.129 7.864 1.00 0.00 N ATOM 337 CA GLN A 24 -5.896 7.047 7.695 1.00 0.00 C ATOM 338 C GLN A 24 -6.805 6.492 6.596 1.00 0.00 C ATOM 339 O GLN A 24 -6.350 5.727 5.752 1.00 0.00 O ATOM 340 CB GLN A 24 -5.309 8.423 7.356 1.00 0.00 C ATOM 341 CG GLN A 24 -6.339 9.510 7.021 1.00 0.00 C ATOM 342 CD GLN A 24 -6.129 10.780 7.832 1.00 0.00 C ATOM 343 OE1 GLN A 24 -5.658 11.800 7.330 1.00 0.00 O ATOM 344 NE2 GLN A 24 -6.498 10.733 9.101 1.00 0.00 N ATOM 0 H GLN A 24 -3.902 6.470 7.467 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.504 7.151 8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.709 8.762 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.633 8.313 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.280 9.747 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.342 9.126 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.885 9.872 9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.395 11.557 9.693 1.00 0.00 H new ATOM 353 N ARG A 25 -8.082 6.869 6.581 1.00 0.00 N ATOM 354 CA ARG A 25 -9.013 6.539 5.505 1.00 0.00 C ATOM 355 C ARG A 25 -9.208 7.792 4.679 1.00 0.00 C ATOM 356 O ARG A 25 -9.165 8.886 5.241 1.00 0.00 O ATOM 357 CB ARG A 25 -10.380 6.117 6.047 1.00 0.00 C ATOM 358 CG ARG A 25 -10.351 5.150 7.227 1.00 0.00 C ATOM 359 CD ARG A 25 -10.781 3.709 6.923 1.00 0.00 C ATOM 360 NE ARG A 25 -11.872 3.315 7.825 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.810 2.403 7.574 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.690 1.540 6.568 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.887 2.367 8.340 1.00 0.00 N ATOM 0 H ARG A 25 -8.505 7.421 7.328 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.604 5.712 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.924 7.012 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.946 5.657 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.338 5.129 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.998 5.544 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.107 3.628 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.934 3.034 7.045 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.915 3.785 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.865 1.567 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.423 0.851 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.989 3.031 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.616 1.676 8.163 1.00 0.00 H new ATOM 377 N THR A 26 -9.450 7.637 3.386 1.00 0.00 N ATOM 378 CA THR A 26 -9.758 8.752 2.510 1.00 0.00 C ATOM 379 C THR A 26 -10.686 8.293 1.377 1.00 0.00 C ATOM 380 O THR A 26 -10.906 7.095 1.160 1.00 0.00 O ATOM 381 CB THR A 26 -8.452 9.366 1.952 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.819 8.469 1.068 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.392 9.791 2.979 1.00 0.00 C ATOM 0 H THR A 26 -9.438 6.732 2.916 1.00 0.00 H new ATOM 0 HA THR A 26 -10.277 9.523 3.079 1.00 0.00 H new ATOM 0 HB THR A 26 -8.807 10.276 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.945 7.551 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.528 10.205 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.812 10.546 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.083 8.924 3.563 1.00 0.00 H new ATOM 391 N GLU A 27 -11.117 9.254 0.564 1.00 0.00 N ATOM 392 CA GLU A 27 -11.761 9.082 -0.733 1.00 0.00 C ATOM 393 C GLU A 27 -10.940 8.188 -1.674 1.00 0.00 C ATOM 394 O GLU A 27 -11.489 7.483 -2.519 1.00 0.00 O ATOM 395 CB GLU A 27 -11.918 10.478 -1.374 1.00 0.00 C ATOM 396 CG GLU A 27 -13.328 10.686 -1.919 1.00 0.00 C ATOM 397 CD GLU A 27 -14.357 10.775 -0.786 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.144 11.584 0.149 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.350 10.013 -0.817 1.00 0.00 O ATOM 0 H GLU A 27 -11.018 10.239 0.811 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.725 8.597 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.695 11.247 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.194 10.593 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.359 11.599 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.588 9.863 -2.585 1.00 0.00 H new ATOM 406 N LEU A 28 -9.616 8.215 -1.533 1.00 0.00 N ATOM 407 CA LEU A 28 -8.639 7.491 -2.354 1.00 0.00 C ATOM 408 C LEU A 28 -8.356 6.084 -1.841 1.00 0.00 C ATOM 409 O LEU A 28 -7.542 5.368 -2.433 1.00 0.00 O ATOM 410 CB LEU A 28 -7.347 8.327 -2.418 1.00 0.00 C ATOM 411 CG LEU A 28 -7.523 9.667 -3.161 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.550 10.712 -2.603 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.329 9.479 -4.668 1.00 0.00 C ATOM 0 H LEU A 28 -9.169 8.772 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.058 7.359 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.000 8.525 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.570 7.745 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.539 10.027 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.683 11.654 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.748 10.863 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.526 10.363 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.457 10.436 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.326 9.098 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.065 8.769 -5.044 1.00 0.00 H new ATOM 425 N GLY A 29 -9.029 5.693 -0.762 1.00 0.00 N ATOM 426 CA GLY A 29 -8.828 4.438 -0.089 1.00 0.00 C ATOM 427 C GLY A 29 -8.164 4.690 1.254 1.00 0.00 C ATOM 428 O GLY A 29 -7.995 5.836 1.683 1.00 0.00 O ATOM 0 H GLY A 29 -9.750 6.269 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.783 3.932 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.206 3.781 -0.698 1.00 0.00 H new ATOM 432 N VAL A 30 -7.827 3.624 1.961 1.00 0.00 N ATOM 433 CA VAL A 30 -7.026 3.729 3.176 1.00 0.00 C ATOM 434 C VAL A 30 -5.593 4.091 2.758 1.00 0.00 C ATOM 435 O VAL A 30 -5.049 3.491 1.830 1.00 0.00 O ATOM 436 CB VAL A 30 -7.134 2.399 3.934 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.231 2.321 5.158 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.567 2.261 4.454 1.00 0.00 C ATOM 0 H VAL A 30 -8.095 2.671 1.716 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.374 4.509 3.854 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.840 1.617 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.360 1.354 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.192 2.437 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.495 3.116 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.668 1.321 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.793 3.092 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.261 2.271 3.614 1.00 0.00 H new ATOM 448 N GLU A 31 -4.990 5.089 3.409 1.00 0.00 N ATOM 449 CA GLU A 31 -3.585 5.443 3.250 1.00 0.00 C ATOM 450 C GLU A 31 -2.729 4.267 3.703 1.00 0.00 C ATOM 451 O GLU A 31 -2.899 3.762 4.816 1.00 0.00 O ATOM 452 CB GLU A 31 -3.193 6.653 4.111 1.00 0.00 C ATOM 453 CG GLU A 31 -3.600 8.007 3.524 1.00 0.00 C ATOM 454 CD GLU A 31 -2.808 9.151 4.175 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.556 9.123 4.172 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.435 10.052 4.778 1.00 0.00 O ATOM 0 H GLU A 31 -5.480 5.685 4.076 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.426 5.689 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.649 6.546 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.113 6.644 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.427 8.007 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.667 8.167 3.676 1.00 0.00 H new ATOM 463 N PHE A 32 -1.762 3.883 2.874 1.00 0.00 N ATOM 464 CA PHE A 32 -0.913 2.741 3.105 1.00 0.00 C ATOM 465 C PHE A 32 0.471 3.163 3.533 1.00 0.00 C ATOM 466 O PHE A 32 0.707 3.725 4.603 1.00 0.00 O ATOM 467 CB PHE A 32 -1.111 1.708 1.969 1.00 0.00 C ATOM 468 CG PHE A 32 -0.666 0.275 2.232 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.570 -0.264 3.535 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.352 -0.545 1.130 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.047 -1.551 3.731 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.153 -1.840 1.328 1.00 0.00 C ATOM 473 CZ PHE A 32 0.343 -2.331 2.632 1.00 0.00 C ATOM 0 H PHE A 32 -1.550 4.375 2.006 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.201 2.160 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.170 1.689 1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.577 2.069 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.901 0.317 4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.501 -0.175 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.056 -1.943 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.396 -2.460 0.478 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.787 -3.303 2.787 1.00 0.00 H new ATOM 483 N LEU A 33 1.374 2.877 2.656 1.00 0.00 N ATOM 484 CA LEU A 33 2.788 3.197 2.759 1.00 0.00 C ATOM 485 C LEU A 33 2.977 4.597 2.211 1.00 0.00 C ATOM 486 O LEU A 33 2.644 4.869 1.060 1.00 0.00 O ATOM 487 CB LEU A 33 3.713 2.206 2.038 1.00 0.00 C ATOM 488 CG LEU A 33 3.978 0.876 2.762 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.506 1.103 4.185 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.729 0.012 2.707 1.00 0.00 C ATOM 0 H LEU A 33 1.148 2.385 1.792 1.00 0.00 H new ATOM 0 HA LEU A 33 3.074 3.129 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.283 1.985 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.670 2.697 1.861 1.00 0.00 H new ATOM 0 HG LEU A 33 4.772 0.333 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.682 0.141 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.440 1.663 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.772 1.667 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.916 -0.931 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.905 0.533 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.469 -0.186 1.667 1.00 0.00 H new ATOM 502 N LYS A 34 3.563 5.475 3.009 1.00 0.00 N ATOM 503 CA LYS A 34 4.097 6.749 2.573 1.00 0.00 C ATOM 504 C LYS A 34 5.609 6.680 2.471 1.00 0.00 C ATOM 505 O LYS A 34 6.236 5.898 3.177 1.00 0.00 O ATOM 506 CB LYS A 34 3.728 7.812 3.600 1.00 0.00 C ATOM 507 CG LYS A 34 2.335 8.375 3.335 1.00 0.00 C ATOM 508 CD LYS A 34 2.165 9.827 3.787 1.00 0.00 C ATOM 509 CE LYS A 34 3.059 10.804 3.004 1.00 0.00 C ATOM 510 NZ LYS A 34 4.229 11.253 3.785 1.00 0.00 N ATOM 0 H LYS A 34 3.682 5.313 4.009 1.00 0.00 H new ATOM 0 HA LYS A 34 3.682 6.994 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.765 7.383 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.461 8.619 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.122 8.308 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.598 7.755 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.122 10.120 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.397 9.901 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.401 10.323 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.470 11.672 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.029 12.182 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.427 10.566 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.056 11.328 3.159 1.00 0.00 H new ATOM 524 N ARG A 35 6.199 7.503 1.614 1.00 0.00 N ATOM 525 CA ARG A 35 7.630 7.793 1.539 1.00 0.00 C ATOM 526 C ARG A 35 7.743 9.191 0.929 1.00 0.00 C ATOM 527 O ARG A 35 6.720 9.752 0.539 1.00 0.00 O ATOM 528 CB ARG A 35 8.320 6.677 0.730 1.00 0.00 C ATOM 529 CG ARG A 35 9.827 6.835 0.491 1.00 0.00 C ATOM 530 CD ARG A 35 10.432 5.492 0.062 1.00 0.00 C ATOM 531 NE ARG A 35 11.715 5.576 -0.654 1.00 0.00 N ATOM 532 CZ ARG A 35 12.898 5.902 -0.125 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.959 6.588 1.006 1.00 0.00 N ATOM 534 NH2 ARG A 35 14.008 5.559 -0.758 1.00 0.00 N ATOM 0 H ARG A 35 5.665 8.016 0.913 1.00 0.00 H new ATOM 0 HA ARG A 35 8.136 7.802 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.154 5.730 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.827 6.604 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.005 7.586 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.313 7.189 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.571 4.875 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.713 4.976 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 35 11.700 5.365 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.100 6.870 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.865 6.834 1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.955 5.051 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.916 5.803 -0.363 1.00 0.00 H new ATOM 548 N GLY A 36 8.947 9.753 0.810 1.00 0.00 N ATOM 549 CA GLY A 36 9.166 11.088 0.277 1.00 0.00 C ATOM 550 C GLY A 36 8.532 11.297 -1.080 1.00 0.00 C ATOM 551 O GLY A 36 9.069 10.898 -2.110 1.00 0.00 O ATOM 0 H GLY A 36 9.808 9.281 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.765 11.822 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.238 11.272 0.203 1.00 0.00 H new ATOM 555 N ASP A 37 7.423 12.009 -1.004 1.00 0.00 N ATOM 556 CA ASP A 37 6.487 12.496 -1.994 1.00 0.00 C ATOM 557 C ASP A 37 5.517 11.437 -2.526 1.00 0.00 C ATOM 558 O ASP A 37 4.809 11.683 -3.503 1.00 0.00 O ATOM 559 CB ASP A 37 7.191 13.290 -3.108 1.00 0.00 C ATOM 560 CG ASP A 37 6.548 14.655 -3.355 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.578 15.482 -2.411 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.097 14.944 -4.488 1.00 0.00 O ATOM 0 H ASP A 37 7.110 12.308 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 37 5.842 13.197 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.239 13.429 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.170 12.710 -4.031 1.00 0.00 H new ATOM 567 N LYS A 38 5.462 10.258 -1.899 1.00 0.00 N ATOM 568 CA LYS A 38 4.767 9.086 -2.393 1.00 0.00 C ATOM 569 C LYS A 38 3.756 8.617 -1.370 1.00 0.00 C ATOM 570 O LYS A 38 4.065 8.608 -0.176 1.00 0.00 O ATOM 571 CB LYS A 38 5.782 7.969 -2.627 1.00 0.00 C ATOM 572 CG LYS A 38 7.030 8.389 -3.408 1.00 0.00 C ATOM 573 CD LYS A 38 6.760 8.960 -4.805 1.00 0.00 C ATOM 574 CE LYS A 38 5.920 8.052 -5.712 1.00 0.00 C ATOM 575 NZ LYS A 38 4.742 8.753 -6.265 1.00 0.00 N ATOM 0 H LYS A 38 5.920 10.097 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 38 4.255 9.336 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.092 7.571 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.291 7.157 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.570 9.135 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.687 7.524 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.251 9.918 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.714 9.158 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.540 7.685 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.590 7.181 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.222 8.112 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.119 9.052 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.055 9.589 -6.799 1.00 0.00 H new ATOM 589 N ILE A 39 2.593 8.170 -1.831 1.00 0.00 N ATOM 590 CA ILE A 39 1.542 7.619 -0.980 1.00 0.00 C ATOM 591 C ILE A 39 0.897 6.461 -1.733 1.00 0.00 C ATOM 592 O ILE A 39 0.252 6.648 -2.767 1.00 0.00 O ATOM 593 CB ILE A 39 0.505 8.676 -0.534 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.199 9.975 -0.063 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.409 8.056 0.546 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.280 10.997 0.590 1.00 0.00 C ATOM 0 H ILE A 39 2.349 8.180 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 39 1.984 7.263 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.119 8.965 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.986 9.712 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.684 10.441 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.144 8.794 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.923 7.188 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.194 7.749 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.860 11.871 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.493 11.296 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.186 10.556 1.471 1.00 0.00 H new ATOM 608 N VAL A 40 1.112 5.254 -1.228 1.00 0.00 N ATOM 609 CA VAL A 40 0.361 4.075 -1.608 1.00 0.00 C ATOM 610 C VAL A 40 -0.957 4.129 -0.841 1.00 0.00 C ATOM 611 O VAL A 40 -0.993 4.583 0.305 1.00 0.00 O ATOM 612 CB VAL A 40 1.151 2.781 -1.288 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.539 1.501 -1.879 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.588 2.816 -1.806 1.00 0.00 C ATOM 0 H VAL A 40 1.830 5.068 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 40 0.179 4.059 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 40 1.113 2.751 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.155 0.644 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.468 1.364 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.496 1.586 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.089 1.882 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.581 2.941 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.120 3.650 -1.348 1.00 0.00 H new ATOM 624 N TYR A 41 -2.014 3.587 -1.425 1.00 0.00 N ATOM 625 CA TYR A 41 -3.308 3.343 -0.812 1.00 0.00 C ATOM 626 C TYR A 41 -3.642 1.860 -0.918 1.00 0.00 C ATOM 627 O TYR A 41 -2.989 1.126 -1.661 1.00 0.00 O ATOM 628 CB TYR A 41 -4.366 4.194 -1.521 1.00 0.00 C ATOM 629 CG TYR A 41 -4.196 5.673 -1.263 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.221 6.412 -1.960 1.00 0.00 C ATOM 631 CD2 TYR A 41 -4.979 6.292 -0.275 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.050 7.779 -1.686 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.792 7.649 0.024 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.840 8.405 -0.694 1.00 0.00 C ATOM 635 OH TYR A 41 -3.704 9.732 -0.417 1.00 0.00 O ATOM 0 H TYR A 41 -1.988 3.288 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.287 3.619 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.316 4.009 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.357 3.884 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.606 5.928 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.727 5.721 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.316 8.352 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.376 8.116 0.803 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.331 9.984 0.292 1.00 0.00 H new ATOM 645 N HIS A 42 -4.673 1.418 -0.208 1.00 0.00 N ATOM 646 CA HIS A 42 -5.313 0.137 -0.443 1.00 0.00 C ATOM 647 C HIS A 42 -6.814 0.328 -0.294 1.00 0.00 C ATOM 648 O HIS A 42 -7.280 1.215 0.434 1.00 0.00 O ATOM 649 CB HIS A 42 -4.739 -0.926 0.505 1.00 0.00 C ATOM 650 CG HIS A 42 -5.223 -0.873 1.934 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.436 -1.338 2.394 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.511 -0.424 3.013 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.449 -1.176 3.728 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.296 -0.625 4.154 1.00 0.00 N ATOM 0 H HIS A 42 -5.091 1.949 0.556 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.115 -0.226 -1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.974 -1.910 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.653 -0.833 0.507 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.186 -1.733 1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.521 0.008 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.272 -1.450 4.371 1.00 0.00 H new ATOM 662 N THR A 43 -7.578 -0.504 -0.984 1.00 0.00 N ATOM 663 CA THR A 43 -9.021 -0.421 -0.965 1.00 0.00 C ATOM 664 C THR A 43 -9.597 -1.180 0.236 1.00 0.00 C ATOM 665 O THR A 43 -8.915 -1.921 0.960 1.00 0.00 O ATOM 666 CB THR A 43 -9.559 -0.903 -2.319 1.00 0.00 C ATOM 667 OG1 THR A 43 -9.064 -2.179 -2.626 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.127 0.049 -3.432 1.00 0.00 C ATOM 0 H THR A 43 -7.211 -1.253 -1.571 1.00 0.00 H new ATOM 0 HA THR A 43 -9.345 0.611 -0.832 1.00 0.00 H new ATOM 0 HB THR A 43 -10.646 -0.934 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.420 -2.468 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.516 -0.306 -4.386 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.517 1.046 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.039 0.087 -3.476 1.00 0.00 H new ATOM 676 N LEU A 44 -10.881 -0.929 0.476 1.00 0.00 N ATOM 677 CA LEU A 44 -11.676 -1.535 1.541 1.00 0.00 C ATOM 678 C LEU A 44 -12.235 -2.925 1.198 1.00 0.00 C ATOM 679 O LEU A 44 -12.792 -3.589 2.072 1.00 0.00 O ATOM 680 CB LEU A 44 -12.841 -0.594 1.875 1.00 0.00 C ATOM 681 CG LEU A 44 -12.412 0.787 2.414 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.604 1.597 2.921 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.420 0.686 3.575 1.00 0.00 C ATOM 0 H LEU A 44 -11.418 -0.271 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.007 -1.678 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.443 -0.449 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.481 -1.076 2.614 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.942 1.281 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.257 2.562 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.310 1.754 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.096 1.054 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.153 1.687 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.877 0.134 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.523 0.164 3.242 1.00 0.00 H new ATOM 695 N GLU A 45 -12.129 -3.354 -0.056 1.00 0.00 N ATOM 696 CA GLU A 45 -12.864 -4.494 -0.620 1.00 0.00 C ATOM 697 C GLU A 45 -11.891 -5.511 -1.238 1.00 0.00 C ATOM 698 O GLU A 45 -10.681 -5.323 -1.117 1.00 0.00 O ATOM 699 CB GLU A 45 -13.932 -3.975 -1.605 1.00 0.00 C ATOM 700 CG GLU A 45 -14.852 -2.957 -0.891 1.00 0.00 C ATOM 701 CD GLU A 45 -16.124 -2.543 -1.643 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.985 -3.415 -1.881 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.343 -1.315 -1.839 1.00 0.00 O ATOM 0 H GLU A 45 -11.511 -2.907 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.392 -5.034 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.451 -3.505 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.523 -4.807 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.145 -3.378 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.271 -2.059 -0.682 1.00 0.00 H new ATOM 710 N SER A 46 -12.382 -6.605 -1.844 1.00 0.00 N ATOM 711 CA SER A 46 -11.531 -7.662 -2.385 1.00 0.00 C ATOM 712 C SER A 46 -11.769 -7.955 -3.878 1.00 0.00 C ATOM 713 O SER A 46 -12.922 -7.936 -4.324 1.00 0.00 O ATOM 714 CB SER A 46 -11.639 -8.934 -1.556 1.00 0.00 C ATOM 715 OG SER A 46 -12.966 -9.280 -1.195 1.00 0.00 O ATOM 0 H SER A 46 -13.380 -6.775 -1.969 1.00 0.00 H new ATOM 0 HA SER A 46 -10.512 -7.281 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.200 -9.759 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.047 -8.815 -0.649 1.00 0.00 H new ATOM 0 HG SER A 46 -12.957 -10.106 -0.667 1.00 0.00 H new ATOM 721 N PRO A 47 -10.718 -8.310 -4.643 1.00 0.00 N ATOM 722 CA PRO A 47 -9.328 -8.208 -4.226 1.00 0.00 C ATOM 723 C PRO A 47 -9.001 -6.745 -3.985 1.00 0.00 C ATOM 724 O PRO A 47 -9.539 -5.862 -4.653 1.00 0.00 O ATOM 725 CB PRO A 47 -8.475 -8.795 -5.346 1.00 0.00 C ATOM 726 CG PRO A 47 -9.354 -8.574 -6.569 1.00 0.00 C ATOM 727 CD PRO A 47 -10.784 -8.675 -6.046 1.00 0.00 C ATOM 0 HA PRO A 47 -9.134 -8.753 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.516 -8.286 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.261 -9.851 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.166 -7.600 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.160 -9.323 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.449 -8.007 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.175 -9.685 -6.169 1.00 0.00 H new ATOM 735 N VAL A 48 -8.168 -6.512 -2.980 1.00 0.00 N ATOM 736 CA VAL A 48 -7.683 -5.185 -2.661 1.00 0.00 C ATOM 737 C VAL A 48 -6.959 -4.692 -3.913 1.00 0.00 C ATOM 738 O VAL A 48 -6.355 -5.492 -4.635 1.00 0.00 O ATOM 739 CB VAL A 48 -6.785 -5.298 -1.418 1.00 0.00 C ATOM 740 CG1 VAL A 48 -6.124 -3.979 -1.014 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.549 -5.818 -0.189 1.00 0.00 C ATOM 0 H VAL A 48 -7.811 -7.243 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.463 -4.466 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.015 -6.007 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.506 -4.137 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.501 -3.619 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.893 -3.240 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.871 -5.880 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.366 -5.136 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.953 -6.807 -0.403 1.00 0.00 H new ATOM 751 N GLU A 49 -6.925 -3.388 -4.129 1.00 0.00 N ATOM 752 CA GLU A 49 -6.188 -2.722 -5.185 1.00 0.00 C ATOM 753 C GLU A 49 -5.232 -1.746 -4.494 1.00 0.00 C ATOM 754 O GLU A 49 -5.658 -0.939 -3.669 1.00 0.00 O ATOM 755 CB GLU A 49 -7.186 -2.072 -6.159 1.00 0.00 C ATOM 756 CG GLU A 49 -7.683 -3.102 -7.194 1.00 0.00 C ATOM 757 CD GLU A 49 -8.505 -2.502 -8.345 1.00 0.00 C ATOM 758 OE1 GLU A 49 -9.546 -1.844 -8.114 1.00 0.00 O ATOM 759 OE2 GLU A 49 -8.130 -2.710 -9.522 1.00 0.00 O ATOM 0 H GLU A 49 -7.439 -2.732 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.590 -3.396 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.033 -1.668 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.711 -1.235 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.822 -3.623 -7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.289 -3.849 -6.682 1.00 0.00 H new ATOM 766 N PHE A 50 -3.924 -1.894 -4.729 1.00 0.00 N ATOM 767 CA PHE A 50 -2.892 -1.062 -4.116 1.00 0.00 C ATOM 768 C PHE A 50 -2.620 0.105 -5.036 1.00 0.00 C ATOM 769 O PHE A 50 -1.857 -0.051 -5.986 1.00 0.00 O ATOM 770 CB PHE A 50 -1.572 -1.824 -3.935 1.00 0.00 C ATOM 771 CG PHE A 50 -1.596 -2.951 -2.934 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.952 -2.698 -1.600 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.259 -4.254 -3.340 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.012 -3.759 -0.686 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.359 -5.321 -2.435 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.730 -5.071 -1.102 1.00 0.00 C ATOM 0 H PHE A 50 -3.551 -2.605 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.251 -0.746 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.273 -2.229 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.802 -1.113 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.178 -1.692 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.923 -4.434 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.276 -3.567 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.152 -6.330 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.798 -5.887 -0.398 1.00 0.00 H new ATOM 786 N HIS A 51 -3.253 1.247 -4.826 1.00 0.00 N ATOM 787 CA HIS A 51 -2.946 2.385 -5.677 1.00 0.00 C ATOM 788 C HIS A 51 -1.644 3.036 -5.214 1.00 0.00 C ATOM 789 O HIS A 51 -1.283 2.932 -4.048 1.00 0.00 O ATOM 790 CB HIS A 51 -4.070 3.416 -5.725 1.00 0.00 C ATOM 791 CG HIS A 51 -5.468 2.920 -5.471 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.427 3.475 -4.640 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.017 1.830 -6.079 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.539 2.733 -4.780 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.337 1.735 -5.656 1.00 0.00 N ATOM 0 H HIS A 51 -3.955 1.410 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.833 2.007 -6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.848 4.192 -4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.052 3.890 -6.706 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.312 4.290 -4.038 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.517 1.162 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.468 2.914 -4.259 1.00 0.00 H new ATOM 803 N LEU A 52 -0.985 3.788 -6.087 1.00 0.00 N ATOM 804 CA LEU A 52 0.133 4.670 -5.776 1.00 0.00 C ATOM 805 C LEU A 52 0.101 5.810 -6.776 1.00 0.00 C ATOM 806 O LEU A 52 0.181 5.568 -7.981 1.00 0.00 O ATOM 807 CB LEU A 52 1.460 3.911 -5.896 1.00 0.00 C ATOM 808 CG LEU A 52 2.714 4.811 -5.875 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.853 5.657 -4.605 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.953 3.932 -6.028 1.00 0.00 C ATOM 0 H LEU A 52 -1.227 3.800 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 52 0.050 5.044 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.529 3.193 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.454 3.338 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 52 2.610 5.513 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.758 6.261 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.987 6.311 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.913 5.002 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.846 4.557 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.997 3.219 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.902 3.392 -6.974 1.00 0.00 H new ATOM 822 N ASP A 53 -0.028 7.039 -6.288 1.00 0.00 N ATOM 823 CA ASP A 53 0.004 8.314 -7.014 1.00 0.00 C ATOM 824 C ASP A 53 -1.197 8.540 -7.927 1.00 0.00 C ATOM 825 O ASP A 53 -1.500 9.683 -8.277 1.00 0.00 O ATOM 826 CB ASP A 53 1.307 8.493 -7.815 1.00 0.00 C ATOM 827 CG ASP A 53 1.683 9.969 -7.920 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.754 10.605 -6.844 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.979 10.460 -9.029 1.00 0.00 O ATOM 0 H ASP A 53 -0.170 7.187 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.042 9.072 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.114 7.941 -7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.186 8.072 -8.813 1.00 0.00 H new ATOM 834 N GLY A 54 -1.890 7.455 -8.273 1.00 0.00 N ATOM 835 CA GLY A 54 -2.982 7.394 -9.214 1.00 0.00 C ATOM 836 C GLY A 54 -2.874 6.221 -10.183 1.00 0.00 C ATOM 837 O GLY A 54 -3.724 6.122 -11.070 1.00 0.00 O ATOM 0 H GLY A 54 -1.681 6.541 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.922 7.319 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.017 8.324 -9.782 1.00 0.00 H new ATOM 841 N GLU A 55 -1.886 5.329 -10.053 1.00 0.00 N ATOM 842 CA GLU A 55 -1.943 4.017 -10.662 1.00 0.00 C ATOM 843 C GLU A 55 -2.374 3.040 -9.605 1.00 0.00 C ATOM 844 O GLU A 55 -1.910 3.077 -8.484 1.00 0.00 O ATOM 845 CB GLU A 55 -0.574 3.543 -11.145 1.00 0.00 C ATOM 846 CG GLU A 55 -0.279 4.066 -12.537 1.00 0.00 C ATOM 847 CD GLU A 55 -1.329 3.655 -13.564 1.00 0.00 C ATOM 848 OE1 GLU A 55 -1.506 2.441 -13.803 1.00 0.00 O ATOM 849 OE2 GLU A 55 -1.893 4.575 -14.200 1.00 0.00 O ATOM 0 H GLU A 55 -1.033 5.505 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.625 4.074 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.197 3.883 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.542 2.453 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.217 5.154 -12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.697 3.700 -12.857 1.00 0.00 H new ATOM 856 N VAL A 56 -3.210 2.125 -10.015 1.00 0.00 N ATOM 857 CA VAL A 56 -3.615 0.922 -9.318 1.00 0.00 C ATOM 858 C VAL A 56 -2.602 -0.177 -9.645 1.00 0.00 C ATOM 859 O VAL A 56 -2.326 -0.420 -10.827 1.00 0.00 O ATOM 860 CB VAL A 56 -5.030 0.536 -9.797 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.490 -0.688 -9.013 1.00 0.00 C ATOM 862 CG2 VAL A 56 -6.039 1.695 -9.677 1.00 0.00 C ATOM 0 H VAL A 56 -3.668 2.204 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.642 1.070 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.984 0.301 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.490 -0.975 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.800 -1.513 -9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.509 -0.452 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.016 1.364 -10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.114 2.006 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.701 2.536 -10.283 1.00 0.00 H new ATOM 872 N LEU A 57 -2.052 -0.835 -8.620 1.00 0.00 N ATOM 873 CA LEU A 57 -0.954 -1.786 -8.782 1.00 0.00 C ATOM 874 C LEU A 57 -1.269 -3.211 -8.323 1.00 0.00 C ATOM 875 O LEU A 57 -2.292 -3.472 -7.674 1.00 0.00 O ATOM 876 CB LEU A 57 0.298 -1.309 -8.051 1.00 0.00 C ATOM 877 CG LEU A 57 0.640 0.196 -8.017 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.706 0.434 -6.941 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.105 0.701 -9.388 1.00 0.00 C ATOM 0 H LEU A 57 -2.358 -0.721 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.788 -1.824 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.220 -1.648 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.150 -1.826 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.258 0.762 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.957 1.494 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.320 0.120 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.599 -0.143 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.337 1.764 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.996 0.153 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.313 0.545 -10.121 1.00 0.00 H new ATOM 891 N SER A 58 -0.341 -4.131 -8.622 1.00 0.00 N ATOM 892 CA SER A 58 -0.394 -5.518 -8.211 1.00 0.00 C ATOM 893 C SER A 58 0.404 -5.676 -6.922 1.00 0.00 C ATOM 894 O SER A 58 1.177 -4.797 -6.542 1.00 0.00 O ATOM 895 CB SER A 58 0.149 -6.428 -9.309 1.00 0.00 C ATOM 896 OG SER A 58 1.538 -6.314 -9.450 1.00 0.00 O ATOM 0 H SER A 58 0.488 -3.911 -9.174 1.00 0.00 H new ATOM 0 HA SER A 58 -1.429 -5.810 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.108 -7.463 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.332 -6.181 -10.255 1.00 0.00 H new ATOM 0 HG SER A 58 1.831 -6.827 -10.232 1.00 0.00 H new ATOM 902 N LEU A 59 0.294 -6.836 -6.288 1.00 0.00 N ATOM 903 CA LEU A 59 0.987 -7.159 -5.047 1.00 0.00 C ATOM 904 C LEU A 59 2.449 -7.474 -5.341 1.00 0.00 C ATOM 905 O LEU A 59 3.345 -7.072 -4.602 1.00 0.00 O ATOM 906 CB LEU A 59 0.281 -8.362 -4.405 1.00 0.00 C ATOM 907 CG LEU A 59 0.982 -8.946 -3.168 1.00 0.00 C ATOM 908 CD1 LEU A 59 1.178 -7.932 -2.037 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.141 -10.101 -2.628 1.00 0.00 C ATOM 0 H LEU A 59 -0.293 -7.597 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 59 0.961 -6.314 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.729 -8.063 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.184 -9.148 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 59 1.972 -9.268 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.679 -8.415 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.788 -7.102 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.207 -7.556 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.627 -10.525 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.848 -9.734 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.043 -10.869 -3.395 1.00 0.00 H new ATOM 921 N ASP A 60 2.677 -8.202 -6.432 1.00 0.00 N ATOM 922 CA ASP A 60 4.000 -8.613 -6.885 1.00 0.00 C ATOM 923 C ASP A 60 4.774 -7.374 -7.300 1.00 0.00 C ATOM 924 O ASP A 60 5.898 -7.161 -6.851 1.00 0.00 O ATOM 925 CB ASP A 60 3.853 -9.584 -8.071 1.00 0.00 C ATOM 926 CG ASP A 60 3.981 -11.064 -7.685 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.467 -11.469 -6.617 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.469 -11.876 -8.507 1.00 0.00 O ATOM 0 H ASP A 60 1.926 -8.530 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 60 4.538 -9.123 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.882 -9.424 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.611 -9.347 -8.818 1.00 0.00 H new ATOM 933 N LYS A 61 4.162 -6.531 -8.137 1.00 0.00 N ATOM 934 CA LYS A 61 4.826 -5.349 -8.655 1.00 0.00 C ATOM 935 C LYS A 61 5.055 -4.362 -7.527 1.00 0.00 C ATOM 936 O LYS A 61 6.166 -3.857 -7.414 1.00 0.00 O ATOM 937 CB LYS A 61 4.022 -4.729 -9.804 1.00 0.00 C ATOM 938 CG LYS A 61 4.960 -4.028 -10.791 1.00 0.00 C ATOM 939 CD LYS A 61 4.289 -3.167 -11.872 1.00 0.00 C ATOM 940 CE LYS A 61 3.357 -3.967 -12.797 1.00 0.00 C ATOM 941 NZ LYS A 61 2.331 -3.109 -13.435 1.00 0.00 N ATOM 0 H LYS A 61 3.204 -6.653 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 61 5.796 -5.630 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.454 -5.504 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.300 -4.015 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.642 -3.395 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.566 -4.787 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.718 -2.373 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.060 -2.686 -12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.949 -4.458 -13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.866 -4.753 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.726 -3.690 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.748 -2.659 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.798 -2.374 -14.004 1.00 0.00 H new ATOM 955 N LEU A 62 4.043 -4.108 -6.681 1.00 0.00 N ATOM 956 CA LEU A 62 4.158 -3.241 -5.512 1.00 0.00 C ATOM 957 C LEU A 62 5.439 -3.544 -4.743 1.00 0.00 C ATOM 958 O LEU A 62 6.222 -2.626 -4.523 1.00 0.00 O ATOM 959 CB LEU A 62 2.933 -3.355 -4.597 1.00 0.00 C ATOM 960 CG LEU A 62 3.050 -2.509 -3.317 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.148 -1.006 -3.630 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.822 -2.727 -2.442 1.00 0.00 C ATOM 0 H LEU A 62 3.112 -4.508 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 62 4.202 -2.212 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.046 -3.046 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.789 -4.400 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 62 3.959 -2.825 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.229 -0.445 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.029 -0.819 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.256 -0.688 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.909 -2.126 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.928 -2.430 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.750 -3.781 -2.173 1.00 0.00 H new ATOM 974 N LYS A 63 5.689 -4.803 -4.366 1.00 0.00 N ATOM 975 CA LYS A 63 6.879 -5.156 -3.596 1.00 0.00 C ATOM 976 C LYS A 63 8.156 -4.665 -4.288 1.00 0.00 C ATOM 977 O LYS A 63 9.000 -4.043 -3.645 1.00 0.00 O ATOM 978 CB LYS A 63 6.928 -6.679 -3.351 1.00 0.00 C ATOM 979 CG LYS A 63 5.823 -7.174 -2.399 1.00 0.00 C ATOM 980 CD LYS A 63 5.597 -8.693 -2.496 1.00 0.00 C ATOM 981 CE LYS A 63 4.401 -9.075 -1.617 1.00 0.00 C ATOM 982 NZ LYS A 63 4.002 -10.500 -1.729 1.00 0.00 N ATOM 0 H LYS A 63 5.081 -5.592 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 63 6.820 -4.655 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.836 -7.198 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.901 -6.943 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.088 -6.914 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.892 -6.656 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.411 -8.981 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.489 -9.228 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.643 -8.856 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.551 -8.448 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.189 -10.683 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.740 -10.711 -2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.798 -11.107 -1.445 1.00 0.00 H new ATOM 996 N SER A 64 8.280 -4.880 -5.599 1.00 0.00 N ATOM 997 CA SER A 64 9.392 -4.355 -6.389 1.00 0.00 C ATOM 998 C SER A 64 9.411 -2.828 -6.433 1.00 0.00 C ATOM 999 O SER A 64 10.490 -2.254 -6.356 1.00 0.00 O ATOM 1000 CB SER A 64 9.368 -4.899 -7.819 1.00 0.00 C ATOM 1001 OG SER A 64 10.062 -6.131 -7.878 1.00 0.00 O ATOM 0 H SER A 64 7.610 -5.424 -6.143 1.00 0.00 H new ATOM 0 HA SER A 64 10.299 -4.693 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.338 -5.036 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.827 -4.181 -8.498 1.00 0.00 H new ATOM 0 HG SER A 64 10.041 -6.474 -8.796 1.00 0.00 H new ATOM 1007 N LEU A 65 8.263 -2.162 -6.586 1.00 0.00 N ATOM 1008 CA LEU A 65 8.211 -0.706 -6.712 1.00 0.00 C ATOM 1009 C LEU A 65 8.602 -0.010 -5.409 1.00 0.00 C ATOM 1010 O LEU A 65 8.951 1.171 -5.422 1.00 0.00 O ATOM 1011 CB LEU A 65 6.807 -0.210 -7.097 1.00 0.00 C ATOM 1012 CG LEU A 65 6.175 -0.697 -8.413 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.108 0.328 -8.799 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.161 -0.847 -9.572 1.00 0.00 C ATOM 0 H LEU A 65 7.350 -2.615 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 65 8.922 -0.457 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.129 -0.481 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.842 0.879 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 65 5.773 -1.695 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.631 0.023 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.359 0.388 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.573 1.305 -8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.630 -1.194 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.626 0.116 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.931 -1.570 -9.303 1.00 0.00 H new ATOM 1026 N LEU A 66 8.466 -0.687 -4.269 1.00 0.00 N ATOM 1027 CA LEU A 66 8.824 -0.116 -2.967 1.00 0.00 C ATOM 1028 C LEU A 66 10.325 -0.298 -2.698 1.00 0.00 C ATOM 1029 O LEU A 66 10.913 0.456 -1.918 1.00 0.00 O ATOM 1030 CB LEU A 66 8.007 -0.798 -1.866 1.00 0.00 C ATOM 1031 CG LEU A 66 6.484 -0.601 -1.996 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.727 -1.597 -1.129 1.00 0.00 C ATOM 1033 CD2 LEU A 66 6.029 0.784 -1.585 1.00 0.00 C ATOM 0 H LEU A 66 8.107 -1.641 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 66 8.601 0.951 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.226 -1.866 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.330 -0.414 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 66 6.266 -0.752 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.655 -1.435 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.975 -2.612 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.008 -1.458 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.948 0.860 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.298 0.961 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.514 1.529 -2.216 1.00 0.00 H new ATOM 1045 N SER A 67 10.944 -1.298 -3.326 1.00 0.00 N ATOM 1046 CA SER A 67 12.361 -1.604 -3.228 1.00 0.00 C ATOM 1047 C SER A 67 13.170 -0.528 -3.948 1.00 0.00 C ATOM 1048 O SER A 67 14.156 -0.042 -3.354 1.00 0.00 O ATOM 1049 CB SER A 67 12.561 -2.994 -3.835 1.00 0.00 C ATOM 1050 OG SER A 67 13.853 -3.506 -3.585 1.00 0.00 O ATOM 0 H SER A 67 10.446 -1.941 -3.942 1.00 0.00 H new ATOM 0 HA SER A 67 12.708 -1.612 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.816 -3.677 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.393 -2.946 -4.911 1.00 0.00 H new ATOM 0 HG SER A 67 13.936 -4.395 -3.989 1.00 0.00 H new