USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 514 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 42 ASN : amide:sc= 0.332 K(o=2.5,f=1.5) USER MOD Set 1.2: A 44 CYS SG : rot 120:sc= 0.516 USER MOD Set 1.3: A 54 CYS SG : rot -135:sc= 0.807 USER MOD Set 1.4: A 57 CYS SG : rot -32:sc= 0.843 USER MOD Set 2.1: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 35 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Set 3.1: A 2 CYS SG : rot 145:sc= 1.09 USER MOD Set 3.2: A 5 CYS SG : rot -31:sc= 0.43 USER MOD Set 3.3: A 19 CYS SG : rot -123:sc= 0.415 USER MOD Set 3.4: A 22 CYS SG : rot 149:sc= 0.203 USER MOD Single : A 1 LEU N :NH3+ -128:sc= -0.309 (180deg=-2.26!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.054 USER MOD Single : A 13 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 68:sc= 0.521 USER MOD Single : A 21 SER OG : rot -120:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.368 (180deg=-0.946) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.0535 F(o=-0.77,f=-0.053) USER MOD Single : A 36 TYR OH : rot 110:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.794) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.78) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -28:sc= 0.554 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 67 MET CE :methyl -157:sc= -1.8 (180deg=-2.72) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.867 5.762 3.904 1.00 0.00 N ATOM 2 CA LEU A 1 10.445 6.109 3.913 1.00 0.00 C ATOM 3 C LEU A 1 9.684 5.169 3.023 1.00 0.00 C ATOM 4 O LEU A 1 10.188 4.703 2.002 1.00 0.00 O ATOM 5 CB LEU A 1 10.192 7.565 3.432 1.00 0.00 C ATOM 6 CG LEU A 1 10.519 8.683 4.456 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.026 8.846 4.733 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.888 10.021 4.022 1.00 0.00 C ATOM 0 H1 LEU A 1 12.205 5.658 4.882 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.003 4.866 3.393 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.405 6.515 3.430 1.00 0.00 H new ATOM 0 HA LEU A 1 10.102 6.025 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.784 7.738 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.144 7.656 3.146 1.00 0.00 H new ATOM 0 HG LEU A 1 10.075 8.369 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.178 9.645 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.426 7.914 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.542 9.094 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.130 10.792 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.282 10.310 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.806 9.909 3.957 1.00 0.00 H new ATOM 22 N CYS A 2 8.388 4.924 3.395 1.00 0.00 N ATOM 23 CA CYS A 2 7.357 4.128 2.769 1.00 0.00 C ATOM 24 C CYS A 2 7.101 4.839 1.482 1.00 0.00 C ATOM 25 O CYS A 2 7.033 6.064 1.470 1.00 0.00 O ATOM 26 CB CYS A 2 6.093 3.991 3.667 1.00 0.00 C ATOM 27 SG CYS A 2 4.752 3.028 2.899 1.00 0.00 S ATOM 0 H CYS A 2 8.029 5.347 4.251 1.00 0.00 H new ATOM 0 HA CYS A 2 7.655 3.092 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.376 3.518 4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.721 4.986 3.910 1.00 0.00 H new ATOM 0 HG CYS A 2 4.130 2.344 3.813 1.00 0.00 H new ATOM 32 N LEU A 3 6.985 4.087 0.369 1.00 0.00 N ATOM 33 CA LEU A 3 6.836 4.685 -0.929 1.00 0.00 C ATOM 34 C LEU A 3 5.450 4.496 -1.458 1.00 0.00 C ATOM 35 O LEU A 3 5.184 4.573 -2.656 1.00 0.00 O ATOM 36 CB LEU A 3 7.847 4.079 -1.902 1.00 0.00 C ATOM 37 CG LEU A 3 9.302 4.471 -1.559 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.332 3.599 -2.294 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.581 5.970 -1.789 1.00 0.00 C ATOM 0 H LEU A 3 6.994 3.067 0.366 1.00 0.00 H new ATOM 0 HA LEU A 3 7.020 5.755 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.753 2.993 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.614 4.407 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 3 9.415 4.281 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.338 3.915 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.190 2.555 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.199 3.708 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.617 6.191 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.406 6.216 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.917 6.564 -1.161 1.00 0.00 H new ATOM 51 N VAL A 4 4.539 4.258 -0.509 1.00 0.00 N ATOM 52 CA VAL A 4 3.141 4.019 -0.720 1.00 0.00 C ATOM 53 C VAL A 4 2.364 5.091 -0.034 1.00 0.00 C ATOM 54 O VAL A 4 1.709 5.895 -0.688 1.00 0.00 O ATOM 55 CB VAL A 4 2.686 2.629 -0.207 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.240 2.296 -0.614 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.720 1.543 -0.536 1.00 0.00 C ATOM 0 H VAL A 4 4.791 4.229 0.479 1.00 0.00 H new ATOM 0 HA VAL A 4 2.957 4.032 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 4 2.649 2.665 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.971 1.312 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.564 3.044 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.159 2.296 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.369 0.581 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.856 1.485 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.671 1.791 -0.064 1.00 0.00 H new ATOM 67 N CYS A 5 2.389 5.086 1.315 1.00 0.00 N ATOM 68 CA CYS A 5 1.614 6.002 2.119 1.00 0.00 C ATOM 69 C CYS A 5 2.541 7.014 2.720 1.00 0.00 C ATOM 70 O CYS A 5 2.189 7.690 3.681 1.00 0.00 O ATOM 71 CB CYS A 5 0.704 5.308 3.177 1.00 0.00 C ATOM 72 SG CYS A 5 1.535 4.379 4.526 1.00 0.00 S ATOM 0 H CYS A 5 2.955 4.437 1.862 1.00 0.00 H new ATOM 0 HA CYS A 5 0.901 6.506 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.074 6.072 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.042 4.620 2.652 1.00 0.00 H new ATOM 0 HG CYS A 5 2.657 3.889 4.088 1.00 0.00 H new ATOM 77 N SER A 6 3.750 7.137 2.119 1.00 0.00 N ATOM 78 CA SER A 6 4.748 8.180 2.349 1.00 0.00 C ATOM 79 C SER A 6 4.993 8.568 3.787 1.00 0.00 C ATOM 80 O SER A 6 4.867 9.725 4.185 1.00 0.00 O ATOM 81 CB SER A 6 4.505 9.403 1.439 1.00 0.00 C ATOM 82 OG SER A 6 3.937 9.031 0.188 1.00 0.00 O ATOM 0 H SER A 6 4.062 6.463 1.420 1.00 0.00 H new ATOM 0 HA SER A 6 5.690 7.713 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.842 10.105 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.448 9.922 1.269 1.00 0.00 H new ATOM 0 HG SER A 6 3.797 9.832 -0.359 1.00 0.00 H new ATOM 88 N ASP A 7 5.332 7.538 4.585 1.00 0.00 N ATOM 89 CA ASP A 7 5.475 7.609 6.022 1.00 0.00 C ATOM 90 C ASP A 7 6.841 7.022 6.280 1.00 0.00 C ATOM 91 O ASP A 7 7.545 6.697 5.335 1.00 0.00 O ATOM 92 CB ASP A 7 4.321 6.745 6.614 1.00 0.00 C ATOM 93 CG ASP A 7 4.152 6.803 8.139 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.873 7.916 8.658 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.299 5.737 8.795 1.00 0.00 O ATOM 0 H ASP A 7 5.517 6.605 4.217 1.00 0.00 H new ATOM 0 HA ASP A 7 5.409 8.603 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.385 7.059 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.486 5.707 6.326 1.00 0.00 H new ATOM 100 N GLU A 8 7.246 6.829 7.564 1.00 0.00 N ATOM 101 CA GLU A 8 8.514 6.242 7.970 1.00 0.00 C ATOM 102 C GLU A 8 8.512 4.757 7.654 1.00 0.00 C ATOM 103 O GLU A 8 7.635 4.039 8.135 1.00 0.00 O ATOM 104 CB GLU A 8 8.904 6.496 9.454 1.00 0.00 C ATOM 105 CG GLU A 8 8.044 7.562 10.174 1.00 0.00 C ATOM 106 CD GLU A 8 8.565 7.822 11.591 1.00 0.00 C ATOM 107 OE1 GLU A 8 9.700 8.356 11.720 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.832 7.494 12.562 1.00 0.00 O ATOM 0 H GLU A 8 6.664 7.094 8.359 1.00 0.00 H new ATOM 0 HA GLU A 8 9.285 6.752 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.828 5.557 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.949 6.804 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.055 8.490 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.007 7.228 10.219 1.00 0.00 H new ATOM 115 N ALA A 9 9.491 4.269 6.843 1.00 0.00 N ATOM 116 CA ALA A 9 9.587 2.868 6.472 1.00 0.00 C ATOM 117 C ALA A 9 10.551 2.174 7.377 1.00 0.00 C ATOM 118 O ALA A 9 11.629 2.680 7.685 1.00 0.00 O ATOM 119 CB ALA A 9 10.023 2.581 5.024 1.00 0.00 C ATOM 0 H ALA A 9 10.225 4.852 6.440 1.00 0.00 H new ATOM 0 HA ALA A 9 8.566 2.497 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.060 1.504 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.308 3.028 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.011 3.008 4.850 1.00 0.00 H new ATOM 125 N SER A 10 10.138 0.960 7.802 1.00 0.00 N ATOM 126 CA SER A 10 10.898 0.082 8.647 1.00 0.00 C ATOM 127 C SER A 10 10.209 -1.253 8.536 1.00 0.00 C ATOM 128 O SER A 10 9.941 -1.923 9.533 1.00 0.00 O ATOM 129 CB SER A 10 11.043 0.564 10.119 1.00 0.00 C ATOM 130 OG SER A 10 9.797 0.949 10.692 1.00 0.00 O ATOM 0 H SER A 10 9.230 0.573 7.544 1.00 0.00 H new ATOM 0 HA SER A 10 11.936 0.041 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.483 -0.234 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.732 1.408 10.155 1.00 0.00 H new ATOM 0 HG SER A 10 9.939 1.242 11.616 1.00 0.00 H new ATOM 136 N GLY A 11 9.912 -1.668 7.280 1.00 0.00 N ATOM 137 CA GLY A 11 9.260 -2.925 7.035 1.00 0.00 C ATOM 138 C GLY A 11 9.190 -3.135 5.561 1.00 0.00 C ATOM 139 O GLY A 11 8.107 -3.237 4.991 1.00 0.00 O ATOM 0 H GLY A 11 10.124 -1.132 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.811 -3.737 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.259 -2.924 7.467 1.00 0.00 H new ATOM 143 N CYS A 12 10.374 -3.239 4.911 1.00 0.00 N ATOM 144 CA CYS A 12 10.536 -3.498 3.492 1.00 0.00 C ATOM 145 C CYS A 12 10.661 -4.995 3.403 1.00 0.00 C ATOM 146 O CYS A 12 11.371 -5.573 4.228 1.00 0.00 O ATOM 147 CB CYS A 12 11.756 -2.743 2.898 1.00 0.00 C ATOM 148 SG CYS A 12 13.347 -2.926 3.794 1.00 0.00 S ATOM 0 H CYS A 12 11.266 -3.138 5.395 1.00 0.00 H new ATOM 0 HA CYS A 12 9.698 -3.133 2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.901 -3.082 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.511 -1.682 2.851 1.00 0.00 H new ATOM 0 HG CYS A 12 14.270 -2.245 3.183 1.00 0.00 H new ATOM 154 N HIS A 13 9.957 -5.683 2.453 1.00 0.00 N ATOM 155 CA HIS A 13 10.021 -7.148 2.539 1.00 0.00 C ATOM 156 C HIS A 13 9.574 -7.852 1.302 1.00 0.00 C ATOM 157 O HIS A 13 9.731 -9.069 1.204 1.00 0.00 O ATOM 158 CB HIS A 13 9.184 -7.731 3.720 1.00 0.00 C ATOM 159 CG HIS A 13 9.458 -9.168 4.099 1.00 0.00 C ATOM 160 ND1 HIS A 13 10.731 -9.566 4.474 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.588 -10.209 4.193 1.00 0.00 C ATOM 162 CE1 HIS A 13 10.603 -10.843 4.778 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.329 -11.285 4.627 1.00 0.00 N ATOM 0 H HIS A 13 9.398 -5.286 1.698 1.00 0.00 H new ATOM 0 HA HIS A 13 11.084 -7.331 2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.355 -7.109 4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.128 -7.641 3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.531 -10.195 3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.420 -11.467 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.987 -12.230 4.801 1.00 0.00 H new ATOM 171 N TYR A 14 8.999 -7.122 0.323 1.00 0.00 N ATOM 172 CA TYR A 14 8.527 -7.686 -0.911 1.00 0.00 C ATOM 173 C TYR A 14 9.422 -6.973 -1.876 1.00 0.00 C ATOM 174 O TYR A 14 10.630 -7.214 -1.843 1.00 0.00 O ATOM 175 CB TYR A 14 6.977 -7.605 -1.064 1.00 0.00 C ATOM 176 CG TYR A 14 6.312 -8.391 0.071 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.669 -9.729 0.354 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.320 -7.820 0.879 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.188 -10.404 1.481 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.811 -8.498 1.990 1.00 0.00 C ATOM 181 CZ TYR A 14 5.261 -9.779 2.315 1.00 0.00 C ATOM 182 OH TYR A 14 4.757 -10.440 3.457 1.00 0.00 O ATOM 0 H TYR A 14 8.858 -6.114 0.391 1.00 0.00 H new ATOM 0 HA TYR A 14 8.606 -8.765 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.652 -6.565 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.674 -8.011 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.334 -10.247 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.942 -6.837 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.532 -11.403 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.060 -8.025 2.605 1.00 0.00 H new ATOM 0 HH TYR A 14 4.123 -9.854 3.921 1.00 0.00 H new ATOM 192 N GLY A 15 8.906 -6.073 -2.730 1.00 0.00 N ATOM 193 CA GLY A 15 9.727 -5.408 -3.723 1.00 0.00 C ATOM 194 C GLY A 15 10.135 -3.996 -3.413 1.00 0.00 C ATOM 195 O GLY A 15 10.884 -3.430 -4.211 1.00 0.00 O ATOM 0 H GLY A 15 7.924 -5.798 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.630 -6.000 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.186 -5.408 -4.669 1.00 0.00 H new ATOM 199 N VAL A 16 9.692 -3.370 -2.281 1.00 0.00 N ATOM 200 CA VAL A 16 9.889 -1.927 -2.124 1.00 0.00 C ATOM 201 C VAL A 16 10.176 -1.615 -0.691 1.00 0.00 C ATOM 202 O VAL A 16 9.838 -2.376 0.215 1.00 0.00 O ATOM 203 CB VAL A 16 8.642 -1.104 -2.599 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.710 0.430 -2.570 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.203 -1.490 -4.013 1.00 0.00 C ATOM 0 H VAL A 16 9.218 -3.833 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 16 10.733 -1.640 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 16 7.931 -1.389 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.767 0.843 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.888 0.767 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.523 0.770 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.336 -0.895 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.019 -1.303 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.941 -2.548 -4.037 1.00 0.00 H new ATOM 215 N LEU A 17 10.704 -0.376 -0.503 1.00 0.00 N ATOM 216 CA LEU A 17 11.004 0.309 0.735 1.00 0.00 C ATOM 217 C LEU A 17 9.663 0.797 1.250 1.00 0.00 C ATOM 218 O LEU A 17 9.260 1.923 0.961 1.00 0.00 O ATOM 219 CB LEU A 17 12.027 1.457 0.563 1.00 0.00 C ATOM 220 CG LEU A 17 12.470 2.182 1.862 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.099 1.236 2.902 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.404 3.364 1.544 1.00 0.00 C ATOM 0 H LEU A 17 10.945 0.204 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 17 11.491 -0.359 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.915 1.054 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.600 2.197 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 17 11.561 2.573 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.386 1.806 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.375 0.471 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.981 0.760 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.699 3.854 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.292 2.998 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.883 4.078 0.906 1.00 0.00 H new ATOM 234 N THR A 18 8.937 -0.072 1.989 1.00 0.00 N ATOM 235 CA THR A 18 7.592 0.166 2.470 1.00 0.00 C ATOM 236 C THR A 18 7.642 0.264 3.949 1.00 0.00 C ATOM 237 O THR A 18 8.664 -0.020 4.569 1.00 0.00 O ATOM 238 CB THR A 18 6.637 -1.040 2.161 1.00 0.00 C ATOM 239 OG1 THR A 18 7.282 -2.302 2.307 1.00 0.00 O ATOM 240 CG2 THR A 18 6.046 -0.973 0.766 1.00 0.00 C ATOM 0 H THR A 18 9.300 -0.984 2.267 1.00 0.00 H new ATOM 0 HA THR A 18 7.224 1.069 1.983 1.00 0.00 H new ATOM 0 HB THR A 18 5.839 -0.953 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.488 -2.457 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.394 -1.831 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.470 -0.054 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.849 -0.985 0.029 1.00 0.00 H new ATOM 248 N CYS A 19 6.475 0.633 4.546 1.00 0.00 N ATOM 249 CA CYS A 19 6.343 0.739 5.985 1.00 0.00 C ATOM 250 C CYS A 19 6.033 -0.643 6.518 1.00 0.00 C ATOM 251 O CYS A 19 5.946 -1.610 5.762 1.00 0.00 O ATOM 252 CB CYS A 19 5.389 1.817 6.586 1.00 0.00 C ATOM 253 SG CYS A 19 3.596 1.716 6.239 1.00 0.00 S ATOM 0 H CYS A 19 5.623 0.858 4.031 1.00 0.00 H new ATOM 0 HA CYS A 19 7.303 1.130 6.323 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.515 1.800 7.669 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.736 2.791 6.240 1.00 0.00 H new ATOM 0 HG CYS A 19 3.199 2.820 5.679 1.00 0.00 H new ATOM 258 N GLY A 20 5.827 -0.750 7.851 1.00 0.00 N ATOM 259 CA GLY A 20 5.517 -1.989 8.542 1.00 0.00 C ATOM 260 C GLY A 20 4.153 -2.502 8.167 1.00 0.00 C ATOM 261 O GLY A 20 3.980 -3.692 7.922 1.00 0.00 O ATOM 0 H GLY A 20 5.877 0.053 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.269 -2.740 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.563 -1.828 9.619 1.00 0.00 H new ATOM 265 N SER A 21 3.175 -1.571 8.047 1.00 0.00 N ATOM 266 CA SER A 21 1.783 -1.834 7.739 1.00 0.00 C ATOM 267 C SER A 21 1.542 -2.191 6.288 1.00 0.00 C ATOM 268 O SER A 21 0.701 -3.043 6.022 1.00 0.00 O ATOM 269 CB SER A 21 0.869 -0.649 8.111 1.00 0.00 C ATOM 270 OG SER A 21 1.053 -0.287 9.472 1.00 0.00 O ATOM 0 H SER A 21 3.363 -0.576 8.172 1.00 0.00 H new ATOM 0 HA SER A 21 1.530 -2.700 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.090 0.204 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.173 -0.917 7.938 1.00 0.00 H new ATOM 0 HG SER A 21 0.204 -0.379 9.953 1.00 0.00 H new ATOM 276 N CYS A 22 2.285 -1.563 5.320 1.00 0.00 N ATOM 277 CA CYS A 22 2.120 -1.725 3.871 1.00 0.00 C ATOM 278 C CYS A 22 2.534 -3.083 3.392 1.00 0.00 C ATOM 279 O CYS A 22 2.063 -3.559 2.363 1.00 0.00 O ATOM 280 CB CYS A 22 2.736 -0.623 2.989 1.00 0.00 C ATOM 281 SG CYS A 22 1.694 0.874 3.079 1.00 0.00 S ATOM 0 H CYS A 22 3.035 -0.913 5.556 1.00 0.00 H new ATOM 0 HA CYS A 22 1.043 -1.615 3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.748 -0.396 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.811 -0.966 1.957 1.00 0.00 H new ATOM 0 HG CYS A 22 2.439 1.930 2.937 1.00 0.00 H new ATOM 286 N LYS A 23 3.378 -3.753 4.207 1.00 0.00 N ATOM 287 CA LYS A 23 3.852 -5.103 4.053 1.00 0.00 C ATOM 288 C LYS A 23 2.680 -6.057 4.182 1.00 0.00 C ATOM 289 O LYS A 23 2.291 -6.744 3.242 1.00 0.00 O ATOM 290 CB LYS A 23 4.944 -5.430 5.100 1.00 0.00 C ATOM 291 CG LYS A 23 5.681 -6.770 4.904 1.00 0.00 C ATOM 292 CD LYS A 23 6.556 -7.190 6.102 1.00 0.00 C ATOM 293 CE LYS A 23 7.544 -6.110 6.573 1.00 0.00 C ATOM 294 NZ LYS A 23 8.429 -6.614 7.621 1.00 0.00 N ATOM 0 H LYS A 23 3.760 -3.313 5.044 1.00 0.00 H new ATOM 0 HA LYS A 23 4.302 -5.214 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.681 -4.627 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.485 -5.431 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.946 -7.552 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.309 -6.700 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.906 -7.460 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.116 -8.085 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.139 -5.766 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.991 -5.248 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.082 -5.860 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.862 -6.919 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.974 -7.422 7.257 1.00 0.00 H new ATOM 308 N VAL A 24 2.066 -6.036 5.383 1.00 0.00 N ATOM 309 CA VAL A 24 0.963 -6.853 5.858 1.00 0.00 C ATOM 310 C VAL A 24 -0.299 -6.657 5.061 1.00 0.00 C ATOM 311 O VAL A 24 -1.043 -7.600 4.795 1.00 0.00 O ATOM 312 CB VAL A 24 0.681 -6.567 7.365 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.374 -7.499 7.989 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.969 -6.562 8.213 1.00 0.00 C ATOM 0 H VAL A 24 2.369 -5.380 6.102 1.00 0.00 H new ATOM 0 HA VAL A 24 1.271 -7.891 5.728 1.00 0.00 H new ATOM 0 HB VAL A 24 0.258 -5.563 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.515 -7.238 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.319 -7.387 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.036 -8.533 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.718 -6.358 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.456 -7.534 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.644 -5.790 7.845 1.00 0.00 H new ATOM 324 N PHE A 25 -0.513 -5.391 4.655 1.00 0.00 N ATOM 325 CA PHE A 25 -1.566 -4.851 3.832 1.00 0.00 C ATOM 326 C PHE A 25 -1.588 -5.550 2.507 1.00 0.00 C ATOM 327 O PHE A 25 -2.589 -6.143 2.129 1.00 0.00 O ATOM 328 CB PHE A 25 -1.271 -3.346 3.624 1.00 0.00 C ATOM 329 CG PHE A 25 -2.145 -2.630 2.629 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.549 -2.610 2.705 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.509 -2.109 1.491 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.300 -2.120 1.628 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.255 -1.644 0.415 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.651 -1.657 0.476 1.00 0.00 C ATOM 0 H PHE A 25 0.132 -4.654 4.939 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.535 -4.991 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.363 -2.842 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.233 -3.241 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.048 -2.972 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.430 -2.069 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.378 -2.099 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.756 -1.273 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.231 -1.310 -0.366 1.00 0.00 H new ATOM 344 N PHE A 26 -0.418 -5.485 1.832 1.00 0.00 N ATOM 345 CA PHE A 26 -0.115 -5.997 0.517 1.00 0.00 C ATOM 346 C PHE A 26 -0.224 -7.501 0.457 1.00 0.00 C ATOM 347 O PHE A 26 -0.791 -8.054 -0.473 1.00 0.00 O ATOM 348 CB PHE A 26 1.266 -5.492 0.040 1.00 0.00 C ATOM 349 CG PHE A 26 1.638 -5.935 -1.354 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.957 -5.454 -2.486 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.689 -6.844 -1.534 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.352 -5.840 -3.773 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.095 -7.216 -2.814 1.00 0.00 C ATOM 354 CZ PHE A 26 2.425 -6.728 -3.939 1.00 0.00 C ATOM 0 H PHE A 26 0.395 -5.030 2.247 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.865 -5.610 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.275 -4.403 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.029 -5.841 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.122 -4.781 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.189 -7.260 -0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.831 -5.454 -4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.933 -7.886 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.731 -7.032 -4.929 1.00 0.00 H new ATOM 364 N LYS A 27 0.289 -8.189 1.490 1.00 0.00 N ATOM 365 CA LYS A 27 0.300 -9.628 1.669 1.00 0.00 C ATOM 366 C LYS A 27 -1.101 -10.213 1.761 1.00 0.00 C ATOM 367 O LYS A 27 -1.332 -11.326 1.289 1.00 0.00 O ATOM 368 CB LYS A 27 1.267 -10.012 2.819 1.00 0.00 C ATOM 369 CG LYS A 27 1.246 -11.467 3.331 1.00 0.00 C ATOM 370 CD LYS A 27 1.504 -12.568 2.290 1.00 0.00 C ATOM 371 CE LYS A 27 2.843 -13.283 2.509 1.00 0.00 C ATOM 372 NZ LYS A 27 2.924 -14.508 1.717 1.00 0.00 N ATOM 0 H LYS A 27 0.736 -7.709 2.271 1.00 0.00 H new ATOM 0 HA LYS A 27 0.702 -10.103 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.282 -9.789 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.056 -9.358 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.993 -11.561 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.275 -11.653 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.695 -13.298 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.489 -12.130 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.662 -12.617 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.962 -13.522 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.922 -14.759 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.445 -15.280 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.463 -14.358 0.797 1.00 0.00 H new ATOM 386 N ARG A 28 -2.072 -9.442 2.322 1.00 0.00 N ATOM 387 CA ARG A 28 -3.472 -9.838 2.402 1.00 0.00 C ATOM 388 C ARG A 28 -4.226 -9.364 1.181 1.00 0.00 C ATOM 389 O ARG A 28 -5.156 -10.021 0.726 1.00 0.00 O ATOM 390 CB ARG A 28 -4.186 -9.362 3.694 1.00 0.00 C ATOM 391 CG ARG A 28 -4.603 -10.528 4.615 1.00 0.00 C ATOM 392 CD ARG A 28 -3.428 -11.253 5.308 1.00 0.00 C ATOM 393 NE ARG A 28 -2.850 -10.398 6.414 1.00 0.00 N ATOM 394 CZ ARG A 28 -3.511 -10.194 7.602 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.446 -11.073 8.067 1.00 0.00 N ATOM 396 NH2 ARG A 28 -3.220 -9.085 8.343 1.00 0.00 N ATOM 0 H ARG A 28 -1.886 -8.525 2.729 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.474 -10.927 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.525 -8.691 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.071 -8.786 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.278 -10.145 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.165 -11.254 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.771 -12.203 5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.653 -11.482 4.576 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.940 -9.959 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.672 -11.910 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.919 -10.893 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.520 -8.421 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.703 -8.921 9.226 1.00 0.00 H new ATOM 410 N ALA A 29 -3.794 -8.224 0.604 1.00 0.00 N ATOM 411 CA ALA A 29 -4.373 -7.534 -0.539 1.00 0.00 C ATOM 412 C ALA A 29 -4.156 -8.254 -1.850 1.00 0.00 C ATOM 413 O ALA A 29 -4.839 -7.984 -2.836 1.00 0.00 O ATOM 414 CB ALA A 29 -3.797 -6.122 -0.711 1.00 0.00 C ATOM 0 H ALA A 29 -2.972 -7.736 0.959 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.439 -7.499 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.257 -5.644 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.005 -5.533 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.719 -6.185 -0.862 1.00 0.00 H new ATOM 420 N VAL A 30 -3.167 -9.177 -1.868 1.00 0.00 N ATOM 421 CA VAL A 30 -2.740 -9.937 -3.016 1.00 0.00 C ATOM 422 C VAL A 30 -3.409 -11.286 -2.958 1.00 0.00 C ATOM 423 O VAL A 30 -4.374 -11.546 -3.675 1.00 0.00 O ATOM 424 CB VAL A 30 -1.181 -10.050 -3.082 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.674 -11.048 -4.139 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.493 -8.688 -3.307 1.00 0.00 C ATOM 0 H VAL A 30 -2.633 -9.407 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.036 -9.428 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.906 -10.432 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.416 -11.071 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.061 -12.042 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.017 -10.738 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.587 -8.828 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.836 -8.258 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.744 -8.014 -2.488 1.00 0.00 H new ATOM 436 N GLU A 31 -2.862 -12.169 -2.096 1.00 0.00 N ATOM 437 CA GLU A 31 -3.252 -13.555 -1.937 1.00 0.00 C ATOM 438 C GLU A 31 -4.003 -13.704 -0.647 1.00 0.00 C ATOM 439 O GLU A 31 -3.634 -14.466 0.247 1.00 0.00 O ATOM 440 CB GLU A 31 -2.066 -14.540 -2.054 1.00 0.00 C ATOM 441 CG GLU A 31 -0.828 -14.143 -1.226 1.00 0.00 C ATOM 442 CD GLU A 31 0.304 -15.156 -1.414 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.833 -15.254 -2.554 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.661 -15.839 -0.417 1.00 0.00 O ATOM 0 H GLU A 31 -2.101 -11.906 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.909 -13.825 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.398 -15.529 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.777 -14.620 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.488 -13.152 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.095 -14.082 -0.171 1.00 0.00 H new ATOM 451 N GLY A 32 -5.124 -12.962 -0.569 1.00 0.00 N ATOM 452 CA GLY A 32 -5.998 -12.996 0.581 1.00 0.00 C ATOM 453 C GLY A 32 -7.324 -12.413 0.214 1.00 0.00 C ATOM 454 O GLY A 32 -7.825 -12.621 -0.890 1.00 0.00 O ATOM 0 H GLY A 32 -5.434 -12.330 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.123 -14.022 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.556 -12.434 1.404 1.00 0.00 H new ATOM 458 N GLN A 33 -7.920 -11.658 1.173 1.00 0.00 N ATOM 459 CA GLN A 33 -9.199 -11.009 1.076 1.00 0.00 C ATOM 460 C GLN A 33 -8.884 -9.540 0.960 1.00 0.00 C ATOM 461 O GLN A 33 -8.068 -9.009 1.714 1.00 0.00 O ATOM 462 CB GLN A 33 -10.025 -11.324 2.349 1.00 0.00 C ATOM 463 CG GLN A 33 -11.349 -10.559 2.561 1.00 0.00 C ATOM 464 CD GLN A 33 -12.387 -10.867 1.470 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.751 -12.031 1.257 1.00 0.00 O ATOM 466 NE2 GLN A 33 -12.866 -9.792 0.775 1.00 0.00 N ATOM 0 H GLN A 33 -7.473 -11.493 2.075 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.792 -11.345 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.252 -12.390 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.389 -11.137 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.763 -10.818 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.148 -9.488 2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.531 -8.854 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.559 -9.928 0.039 1.00 0.00 H new ATOM 475 N HIS A 34 -9.536 -8.866 -0.020 1.00 0.00 N ATOM 476 CA HIS A 34 -9.358 -7.462 -0.316 1.00 0.00 C ATOM 477 C HIS A 34 -10.757 -6.928 -0.444 1.00 0.00 C ATOM 478 O HIS A 34 -11.587 -7.519 -1.135 1.00 0.00 O ATOM 479 CB HIS A 34 -8.541 -7.167 -1.602 1.00 0.00 C ATOM 480 CG HIS A 34 -8.135 -8.399 -2.359 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.317 -9.392 -1.927 1.00 0.00 N flip ATOM 482 CD2 HIS A 34 -8.557 -8.648 -3.654 1.00 0.00 C flip ATOM 483 CE1 HIS A 34 -7.217 -10.284 -2.965 1.00 0.00 C flip ATOM 484 NE2 HIS A 34 -7.979 -9.791 -3.976 1.00 0.00 N flip ATOM 0 H HIS A 34 -10.216 -9.317 -0.632 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.772 -6.989 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.132 -6.527 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.646 -6.607 -1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.212 -8.043 -4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.644 -11.200 -2.976 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.092 -10.251 -4.880 1.00 0.00 H new ATOM 492 N ASN A 35 -11.045 -5.788 0.232 1.00 0.00 N ATOM 493 CA ASN A 35 -12.358 -5.170 0.229 1.00 0.00 C ATOM 494 C ASN A 35 -12.146 -3.684 0.398 1.00 0.00 C ATOM 495 O ASN A 35 -12.467 -3.095 1.430 1.00 0.00 O ATOM 496 CB ASN A 35 -13.373 -5.774 1.257 1.00 0.00 C ATOM 497 CG ASN A 35 -12.782 -6.070 2.655 1.00 0.00 C ATOM 498 OD1 ASN A 35 -12.117 -7.094 2.848 1.00 0.00 O ATOM 499 ND2 ASN A 35 -13.047 -5.154 3.635 1.00 0.00 N ATOM 0 H ASN A 35 -10.357 -5.284 0.791 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.848 -5.382 -0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.208 -5.083 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.778 -6.699 0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.690 -5.300 4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.602 -4.325 3.422 1.00 0.00 H new ATOM 506 N TYR A 36 -11.594 -3.042 -0.664 1.00 0.00 N ATOM 507 CA TYR A 36 -11.302 -1.623 -0.734 1.00 0.00 C ATOM 508 C TYR A 36 -12.130 -1.060 -1.863 1.00 0.00 C ATOM 509 O TYR A 36 -12.619 -1.816 -2.703 1.00 0.00 O ATOM 510 CB TYR A 36 -9.792 -1.289 -0.877 1.00 0.00 C ATOM 511 CG TYR A 36 -8.880 -2.354 -0.298 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.894 -2.631 1.083 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.979 -3.065 -1.116 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.055 -3.610 1.628 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.131 -4.037 -0.571 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.175 -4.319 0.801 1.00 0.00 C ATOM 517 OH TYR A 36 -6.331 -5.306 1.355 1.00 0.00 O ATOM 0 H TYR A 36 -11.337 -3.536 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.568 -1.156 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.556 -1.154 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.589 -0.340 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.561 -2.081 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.942 -2.858 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.086 -3.819 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.442 -4.570 -1.209 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.628 -6.193 1.061 1.00 0.00 H new ATOM 597 N ASN A 42 -10.738 6.565 -9.168 1.00 0.00 N ATOM 598 CA ASN A 42 -9.437 6.397 -8.543 1.00 0.00 C ATOM 599 C ASN A 42 -8.899 7.813 -8.587 1.00 0.00 C ATOM 600 O ASN A 42 -8.332 8.249 -9.589 1.00 0.00 O ATOM 601 CB ASN A 42 -8.516 5.278 -9.130 1.00 0.00 C ATOM 602 CG ASN A 42 -7.202 5.073 -8.355 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.158 4.237 -7.450 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.134 5.836 -8.741 1.00 0.00 N ATOM 0 HA ASN A 42 -9.496 5.992 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.068 4.338 -9.143 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.280 5.523 -10.165 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.235 5.730 -8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.237 6.511 -9.499 1.00 0.00 H new ATOM 611 N ASP A 43 -9.139 8.563 -7.485 1.00 0.00 N ATOM 612 CA ASP A 43 -8.830 9.972 -7.353 1.00 0.00 C ATOM 613 C ASP A 43 -7.834 10.224 -6.272 1.00 0.00 C ATOM 614 O ASP A 43 -6.859 10.944 -6.492 1.00 0.00 O ATOM 615 CB ASP A 43 -10.069 10.864 -7.003 1.00 0.00 C ATOM 616 CG ASP A 43 -11.148 10.205 -6.116 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.899 9.333 -6.628 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.232 10.586 -4.918 1.00 0.00 O ATOM 0 H ASP A 43 -9.568 8.173 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.444 10.241 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.714 11.764 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.537 11.183 -7.934 1.00 0.00 H new ATOM 623 N CYS A 44 -8.096 9.669 -5.062 1.00 0.00 N ATOM 624 CA CYS A 44 -7.395 9.938 -3.845 1.00 0.00 C ATOM 625 C CYS A 44 -5.901 9.650 -3.897 1.00 0.00 C ATOM 626 O CYS A 44 -5.459 8.662 -4.482 1.00 0.00 O ATOM 627 CB CYS A 44 -8.046 9.217 -2.602 1.00 0.00 C ATOM 628 SG CYS A 44 -9.487 8.108 -2.871 1.00 0.00 S ATOM 0 H CYS A 44 -8.847 8.990 -4.935 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.496 11.016 -3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.266 8.631 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.352 9.989 -1.896 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.190 6.906 -2.475 1.00 0.00 H new ATOM 633 N ILE A 45 -5.095 10.552 -3.274 1.00 0.00 N ATOM 634 CA ILE A 45 -3.653 10.428 -3.165 1.00 0.00 C ATOM 635 C ILE A 45 -3.481 9.847 -1.800 1.00 0.00 C ATOM 636 O ILE A 45 -3.999 10.386 -0.829 1.00 0.00 O ATOM 637 CB ILE A 45 -2.865 11.771 -3.278 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.116 12.463 -4.641 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.347 11.640 -2.981 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.664 11.667 -5.877 1.00 0.00 C ATOM 0 H ILE A 45 -5.458 11.396 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.253 9.832 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.263 12.409 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.182 12.671 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.603 13.425 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.871 12.616 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.206 11.269 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.897 10.943 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.884 12.239 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.592 11.482 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.195 10.716 -5.912 1.00 0.00 H new ATOM 652 N ILE A 46 -2.741 8.722 -1.719 1.00 0.00 N ATOM 653 CA ILE A 46 -2.507 7.998 -0.498 1.00 0.00 C ATOM 654 C ILE A 46 -1.157 8.419 -0.017 1.00 0.00 C ATOM 655 O ILE A 46 -0.134 8.225 -0.673 1.00 0.00 O ATOM 656 CB ILE A 46 -2.722 6.471 -0.721 1.00 0.00 C ATOM 657 CG1 ILE A 46 -4.099 5.985 -0.208 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.636 5.502 -0.222 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.282 6.897 -0.525 1.00 0.00 C ATOM 0 H ILE A 46 -2.289 8.300 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.220 8.228 0.294 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.660 6.422 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.298 5.001 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.040 5.859 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.930 4.477 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.692 5.727 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.516 5.614 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.196 6.462 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.117 7.876 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.379 7.005 -1.605 1.00 0.00 H new ATOM 671 N ASP A 47 -1.180 9.039 1.177 1.00 0.00 N ATOM 672 CA ASP A 47 -0.020 9.496 1.874 1.00 0.00 C ATOM 673 C ASP A 47 -0.390 9.320 3.325 1.00 0.00 C ATOM 674 O ASP A 47 -1.401 8.699 3.646 1.00 0.00 O ATOM 675 CB ASP A 47 0.528 10.893 1.466 1.00 0.00 C ATOM 676 CG ASP A 47 -0.444 12.065 1.681 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.493 12.109 0.986 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.139 12.928 2.547 1.00 0.00 O ATOM 0 H ASP A 47 -2.048 9.230 1.678 1.00 0.00 H new ATOM 0 HA ASP A 47 0.864 8.917 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.438 11.088 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.808 10.862 0.413 1.00 0.00 H new ATOM 683 N LYS A 48 0.429 9.896 4.235 1.00 0.00 N ATOM 684 CA LYS A 48 0.361 9.768 5.675 1.00 0.00 C ATOM 685 C LYS A 48 -0.800 10.495 6.317 1.00 0.00 C ATOM 686 O LYS A 48 -1.032 10.365 7.519 1.00 0.00 O ATOM 687 CB LYS A 48 1.704 10.160 6.341 1.00 0.00 C ATOM 688 CG LYS A 48 2.473 11.354 5.726 1.00 0.00 C ATOM 689 CD LYS A 48 1.818 12.740 5.873 1.00 0.00 C ATOM 690 CE LYS A 48 1.662 13.202 7.330 1.00 0.00 C ATOM 691 NZ LYS A 48 1.227 14.597 7.398 1.00 0.00 N ATOM 0 H LYS A 48 1.199 10.498 3.944 1.00 0.00 H new ATOM 0 HA LYS A 48 0.173 8.710 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.508 10.387 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.359 9.289 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.463 11.394 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.619 11.156 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.416 13.473 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.836 12.719 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.938 12.567 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.611 13.088 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.764 14.772 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.052 15.223 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.556 14.789 6.627 1.00 0.00 H new ATOM 705 N ILE A 49 -1.546 11.271 5.502 1.00 0.00 N ATOM 706 CA ILE A 49 -2.633 12.127 5.908 1.00 0.00 C ATOM 707 C ILE A 49 -3.949 11.610 5.384 1.00 0.00 C ATOM 708 O ILE A 49 -4.970 11.683 6.067 1.00 0.00 O ATOM 709 CB ILE A 49 -2.294 13.602 5.509 1.00 0.00 C ATOM 710 CG1 ILE A 49 -2.128 14.513 6.746 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.118 14.253 4.378 1.00 0.00 C ATOM 712 CD1 ILE A 49 -3.431 14.848 7.487 1.00 0.00 C ATOM 0 H ILE A 49 -1.382 11.304 4.496 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.753 12.120 6.991 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.324 13.498 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.445 14.030 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.657 15.444 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.769 15.273 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.996 13.676 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.171 14.270 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.210 15.491 8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.112 15.363 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.897 13.927 7.839 1.00 0.00 H new ATOM 724 N ARG A 50 -3.930 11.072 4.144 1.00 0.00 N ATOM 725 CA ARG A 50 -5.087 10.564 3.431 1.00 0.00 C ATOM 726 C ARG A 50 -5.377 9.127 3.772 1.00 0.00 C ATOM 727 O ARG A 50 -6.489 8.662 3.533 1.00 0.00 O ATOM 728 CB ARG A 50 -4.947 10.751 1.906 1.00 0.00 C ATOM 729 CG ARG A 50 -5.728 11.964 1.357 1.00 0.00 C ATOM 730 CD ARG A 50 -5.410 13.311 2.023 1.00 0.00 C ATOM 731 NE ARG A 50 -6.378 14.343 1.506 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.500 15.583 2.081 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.112 15.824 3.368 1.00 0.00 N ATOM 734 NH2 ARG A 50 -7.050 16.598 1.351 1.00 0.00 N ATOM 0 H ARG A 50 -3.068 10.984 3.606 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.940 11.157 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.892 10.867 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.295 9.848 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.527 12.050 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.794 11.767 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.491 13.226 3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.385 13.610 1.802 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.962 14.112 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.718 15.071 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.216 16.757 3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.362 16.428 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.149 17.526 1.762 1.00 0.00 H new ATOM 748 N ARG A 51 -4.397 8.425 4.402 1.00 0.00 N ATOM 749 CA ARG A 51 -4.474 7.057 4.901 1.00 0.00 C ATOM 750 C ARG A 51 -5.486 6.997 6.037 1.00 0.00 C ATOM 751 O ARG A 51 -5.156 7.302 7.182 1.00 0.00 O ATOM 752 CB ARG A 51 -3.097 6.537 5.402 1.00 0.00 C ATOM 753 CG ARG A 51 -3.083 5.122 6.034 1.00 0.00 C ATOM 754 CD ARG A 51 -1.764 4.772 6.743 1.00 0.00 C ATOM 755 NE ARG A 51 -1.992 3.541 7.583 1.00 0.00 N ATOM 756 CZ ARG A 51 -0.972 2.854 8.188 1.00 0.00 C ATOM 757 NH1 ARG A 51 0.314 2.920 7.740 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.264 2.065 9.267 1.00 0.00 N ATOM 0 H ARG A 51 -3.482 8.840 4.578 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.785 6.416 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.403 6.542 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.712 7.243 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.901 5.046 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.273 4.384 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.976 4.592 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.436 5.603 7.368 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.947 3.205 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.543 3.495 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.047 2.395 8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.224 1.998 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.522 1.544 9.734 1.00 0.00 H new ATOM 772 N LYS A 52 -6.736 6.598 5.701 1.00 0.00 N ATOM 773 CA LYS A 52 -7.880 6.446 6.580 1.00 0.00 C ATOM 774 C LYS A 52 -9.109 6.516 5.714 1.00 0.00 C ATOM 775 O LYS A 52 -10.187 6.075 6.112 1.00 0.00 O ATOM 776 CB LYS A 52 -8.063 7.456 7.756 1.00 0.00 C ATOM 777 CG LYS A 52 -8.057 8.960 7.387 1.00 0.00 C ATOM 778 CD LYS A 52 -8.511 9.895 8.529 1.00 0.00 C ATOM 779 CE LYS A 52 -10.000 9.752 8.901 1.00 0.00 C ATOM 780 NZ LYS A 52 -10.395 10.723 9.922 1.00 0.00 N ATOM 0 H LYS A 52 -6.969 6.362 4.737 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.707 5.497 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.006 7.231 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.269 7.280 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.050 9.243 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.708 9.114 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.905 9.693 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.317 10.927 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.613 9.890 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.189 8.742 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.402 10.598 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.827 10.575 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.237 11.687 9.564 1.00 0.00 H new ATOM 794 N ASN A 53 -8.953 7.104 4.504 1.00 0.00 N ATOM 795 CA ASN A 53 -9.999 7.367 3.549 1.00 0.00 C ATOM 796 C ASN A 53 -10.163 6.211 2.612 1.00 0.00 C ATOM 797 O ASN A 53 -11.293 5.850 2.284 1.00 0.00 O ATOM 798 CB ASN A 53 -9.750 8.634 2.671 1.00 0.00 C ATOM 799 CG ASN A 53 -9.681 9.910 3.536 1.00 0.00 C ATOM 800 OD1 ASN A 53 -10.316 10.009 4.593 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.890 10.912 3.047 1.00 0.00 N ATOM 0 H ASN A 53 -8.039 7.415 4.173 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.891 7.532 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.819 8.517 2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.549 8.733 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.804 11.790 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.386 10.782 2.170 1.00 0.00 H new ATOM 808 N CYS A 54 -9.038 5.619 2.136 1.00 0.00 N ATOM 809 CA CYS A 54 -9.099 4.629 1.090 1.00 0.00 C ATOM 810 C CYS A 54 -7.838 3.775 1.119 1.00 0.00 C ATOM 811 O CYS A 54 -6.746 4.325 0.993 1.00 0.00 O ATOM 812 CB CYS A 54 -9.235 5.402 -0.247 1.00 0.00 C ATOM 813 SG CYS A 54 -9.249 4.480 -1.786 1.00 0.00 S ATOM 0 H CYS A 54 -8.097 5.824 2.472 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.945 3.954 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.158 5.980 -0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.414 6.117 -0.299 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.471 5.063 -2.648 1.00 0.00 H new ATOM 818 N PRO A 55 -7.966 2.422 1.201 1.00 0.00 N ATOM 819 CA PRO A 55 -6.873 1.485 0.951 1.00 0.00 C ATOM 820 C PRO A 55 -6.953 0.859 -0.441 1.00 0.00 C ATOM 821 O PRO A 55 -6.279 -0.142 -0.666 1.00 0.00 O ATOM 822 CB PRO A 55 -7.029 0.409 2.034 1.00 0.00 C ATOM 823 CG PRO A 55 -8.207 0.872 2.903 1.00 0.00 C ATOM 824 CD PRO A 55 -9.017 1.779 1.978 1.00 0.00 C ATOM 0 HA PRO A 55 -5.907 1.988 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.227 -0.567 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.119 0.312 2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.800 0.027 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.864 1.409 3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.704 1.213 1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.615 2.501 2.534 1.00 0.00 H new ATOM 832 N ALA A 56 -7.727 1.369 -1.440 1.00 0.00 N ATOM 833 CA ALA A 56 -7.807 0.847 -2.796 1.00 0.00 C ATOM 834 C ALA A 56 -6.685 1.452 -3.593 1.00 0.00 C ATOM 835 O ALA A 56 -5.982 0.763 -4.329 1.00 0.00 O ATOM 836 CB ALA A 56 -9.136 1.170 -3.486 1.00 0.00 C ATOM 0 H ALA A 56 -8.325 2.183 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.733 -0.239 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.133 0.754 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.957 0.735 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.264 2.251 -3.540 1.00 0.00 H new ATOM 842 N CYS A 57 -6.468 2.775 -3.385 1.00 0.00 N ATOM 843 CA CYS A 57 -5.407 3.590 -3.915 1.00 0.00 C ATOM 844 C CYS A 57 -4.059 3.143 -3.444 1.00 0.00 C ATOM 845 O CYS A 57 -3.125 3.103 -4.234 1.00 0.00 O ATOM 846 CB CYS A 57 -5.612 5.076 -3.584 1.00 0.00 C ATOM 847 SG CYS A 57 -7.009 5.782 -4.528 1.00 0.00 S ATOM 0 H CYS A 57 -7.095 3.319 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.443 3.467 -4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.798 5.190 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.701 5.630 -3.810 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.092 5.195 -5.685 1.00 0.00 H new ATOM 852 N ARG A 58 -3.976 2.735 -2.155 1.00 0.00 N ATOM 853 CA ARG A 58 -2.822 2.170 -1.477 1.00 0.00 C ATOM 854 C ARG A 58 -2.316 0.923 -2.151 1.00 0.00 C ATOM 855 O ARG A 58 -1.112 0.672 -2.146 1.00 0.00 O ATOM 856 CB ARG A 58 -3.095 1.715 -0.014 1.00 0.00 C ATOM 857 CG ARG A 58 -3.141 2.823 1.049 1.00 0.00 C ATOM 858 CD ARG A 58 -3.468 2.334 2.476 1.00 0.00 C ATOM 859 NE ARG A 58 -2.339 1.483 3.010 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.314 1.052 4.312 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.107 1.606 5.274 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.479 0.027 4.656 1.00 0.00 N ATOM 0 H ARG A 58 -4.780 2.804 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.109 2.994 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.046 1.183 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.323 1.000 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.177 3.332 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.886 3.561 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.630 3.189 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.394 1.759 2.467 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.576 1.222 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.744 2.366 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.063 1.261 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.885 -0.407 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.449 -0.305 5.620 1.00 0.00 H new ATOM 876 N TYR A 59 -3.238 0.108 -2.740 1.00 0.00 N ATOM 877 CA TYR A 59 -2.904 -1.151 -3.380 1.00 0.00 C ATOM 878 C TYR A 59 -2.237 -0.852 -4.705 1.00 0.00 C ATOM 879 O TYR A 59 -1.239 -1.474 -5.061 1.00 0.00 O ATOM 880 CB TYR A 59 -4.153 -2.048 -3.560 1.00 0.00 C ATOM 881 CG TYR A 59 -3.837 -3.420 -4.139 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.904 -4.279 -3.522 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.455 -3.847 -5.329 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.602 -5.530 -4.078 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.158 -5.097 -5.885 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.232 -5.941 -5.259 1.00 0.00 C ATOM 887 OH TYR A 59 -2.931 -7.205 -5.816 1.00 0.00 O ATOM 0 H TYR A 59 -4.233 0.329 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.217 -1.711 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.642 -2.174 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.863 -1.541 -4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.416 -3.969 -2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.168 -3.202 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.884 -6.176 -3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.643 -5.411 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.455 -7.335 -6.634 1.00 0.00 H new ATOM 897 N ARG A 60 -2.746 0.187 -5.414 1.00 0.00 N ATOM 898 CA ARG A 60 -2.237 0.646 -6.686 1.00 0.00 C ATOM 899 C ARG A 60 -0.922 1.363 -6.553 1.00 0.00 C ATOM 900 O ARG A 60 -0.054 1.226 -7.409 1.00 0.00 O ATOM 901 CB ARG A 60 -3.236 1.536 -7.445 1.00 0.00 C ATOM 902 CG ARG A 60 -4.404 0.732 -8.051 1.00 0.00 C ATOM 903 CD ARG A 60 -5.537 1.588 -8.659 1.00 0.00 C ATOM 904 NE ARG A 60 -5.006 2.659 -9.590 1.00 0.00 N ATOM 905 CZ ARG A 60 -4.474 2.383 -10.823 1.00 0.00 C ATOM 906 NH1 ARG A 60 -4.785 1.241 -11.502 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.607 3.280 -11.384 1.00 0.00 N ATOM 0 H ARG A 60 -3.545 0.730 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.081 -0.261 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.633 2.291 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.713 2.066 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.010 0.074 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.827 0.093 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.225 0.943 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.107 2.056 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.046 3.631 -9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.430 0.564 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.373 1.064 -12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.366 4.137 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.201 3.092 -12.301 1.00 0.00 H new ATOM 921 N LYS A 61 -0.757 2.131 -5.449 1.00 0.00 N ATOM 922 CA LYS A 61 0.347 3.008 -5.152 1.00 0.00 C ATOM 923 C LYS A 61 1.616 2.258 -4.883 1.00 0.00 C ATOM 924 O LYS A 61 2.673 2.595 -5.413 1.00 0.00 O ATOM 925 CB LYS A 61 -0.064 3.942 -4.002 1.00 0.00 C ATOM 926 CG LYS A 61 0.865 5.114 -3.662 1.00 0.00 C ATOM 927 CD LYS A 61 0.824 6.321 -4.620 1.00 0.00 C ATOM 928 CE LYS A 61 1.688 6.193 -5.885 1.00 0.00 C ATOM 929 NZ LYS A 61 1.641 7.426 -6.672 1.00 0.00 N ATOM 0 H LYS A 61 -1.454 2.137 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 61 0.573 3.617 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.046 4.352 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.180 3.335 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.620 5.465 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.888 4.740 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.210 6.487 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.142 7.208 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.719 5.973 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.335 5.357 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.231 7.318 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.659 7.620 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.999 8.217 -6.100 1.00 0.00 H new ATOM 943 N CYS A 62 1.491 1.163 -4.100 1.00 0.00 N ATOM 944 CA CYS A 62 2.548 0.247 -3.740 1.00 0.00 C ATOM 945 C CYS A 62 3.035 -0.534 -4.945 1.00 0.00 C ATOM 946 O CYS A 62 4.235 -0.736 -5.106 1.00 0.00 O ATOM 947 CB CYS A 62 2.204 -0.625 -2.499 1.00 0.00 C ATOM 948 SG CYS A 62 0.973 -1.956 -2.705 1.00 0.00 S ATOM 0 H CYS A 62 0.595 0.898 -3.691 1.00 0.00 H new ATOM 0 HA CYS A 62 3.399 0.842 -3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.129 -1.077 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.849 0.040 -1.711 1.00 0.00 H new ATOM 0 HG CYS A 62 0.142 -1.635 -3.652 1.00 0.00 H new ATOM 954 N LEU A 63 2.093 -0.911 -5.857 1.00 0.00 N ATOM 955 CA LEU A 63 2.334 -1.626 -7.099 1.00 0.00 C ATOM 956 C LEU A 63 3.091 -0.757 -8.080 1.00 0.00 C ATOM 957 O LEU A 63 3.984 -1.244 -8.773 1.00 0.00 O ATOM 958 CB LEU A 63 1.047 -2.172 -7.763 1.00 0.00 C ATOM 959 CG LEU A 63 0.468 -3.442 -7.091 1.00 0.00 C ATOM 960 CD1 LEU A 63 -0.967 -3.727 -7.574 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.376 -4.671 -7.300 1.00 0.00 C ATOM 0 H LEU A 63 1.104 -0.704 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 63 2.938 -2.492 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.287 -1.391 -7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.259 -2.394 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 63 0.430 -3.245 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.344 -4.624 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.609 -2.881 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.964 -3.877 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.932 -5.539 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.481 -4.868 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.358 -4.476 -6.869 1.00 0.00 H new ATOM 973 N GLN A 64 2.777 0.574 -8.100 1.00 0.00 N ATOM 974 CA GLN A 64 3.392 1.602 -8.926 1.00 0.00 C ATOM 975 C GLN A 64 4.827 1.814 -8.517 1.00 0.00 C ATOM 976 O GLN A 64 5.698 2.061 -9.350 1.00 0.00 O ATOM 977 CB GLN A 64 2.635 2.951 -8.892 1.00 0.00 C ATOM 978 CG GLN A 64 1.345 2.946 -9.743 1.00 0.00 C ATOM 979 CD GLN A 64 0.460 4.163 -9.426 1.00 0.00 C ATOM 980 OE1 GLN A 64 -0.608 4.018 -8.819 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.922 5.378 -9.852 1.00 0.00 N ATOM 0 H GLN A 64 2.046 0.955 -7.499 1.00 0.00 H new ATOM 0 HA GLN A 64 3.344 1.237 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.381 3.192 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.296 3.740 -9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.605 2.949 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.787 2.029 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.811 5.440 -10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.378 6.222 -9.673 1.00 0.00 H new ATOM 990 N ALA A 65 5.077 1.651 -7.192 1.00 0.00 N ATOM 991 CA ALA A 65 6.356 1.785 -6.522 1.00 0.00 C ATOM 992 C ALA A 65 7.304 0.681 -6.922 1.00 0.00 C ATOM 993 O ALA A 65 8.512 0.891 -7.025 1.00 0.00 O ATOM 994 CB ALA A 65 6.237 1.914 -4.996 1.00 0.00 C ATOM 0 H ALA A 65 4.331 1.408 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 65 6.779 2.730 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.231 2.011 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.646 2.796 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.749 1.027 -4.593 1.00 0.00 H new ATOM 1000 N GLY A 66 6.729 -0.519 -7.166 1.00 0.00 N ATOM 1001 CA GLY A 66 7.419 -1.685 -7.669 1.00 0.00 C ATOM 1002 C GLY A 66 7.260 -2.864 -6.765 1.00 0.00 C ATOM 1003 O GLY A 66 8.098 -3.765 -6.803 1.00 0.00 O ATOM 0 H GLY A 66 5.736 -0.687 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.037 -1.933 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.479 -1.457 -7.785 1.00 0.00 H new ATOM 1007 N MET A 67 6.164 -2.919 -5.948 1.00 0.00 N ATOM 1008 CA MET A 67 5.917 -3.993 -4.983 1.00 0.00 C ATOM 1009 C MET A 67 5.627 -5.287 -5.692 1.00 0.00 C ATOM 1010 O MET A 67 5.029 -5.287 -6.768 1.00 0.00 O ATOM 1011 CB MET A 67 4.758 -3.754 -3.984 1.00 0.00 C ATOM 1012 CG MET A 67 5.115 -2.858 -2.781 1.00 0.00 C ATOM 1013 SD MET A 67 6.285 -3.644 -1.617 1.00 0.00 S ATOM 1014 CE MET A 67 5.153 -4.509 -0.496 1.00 0.00 C ATOM 0 H MET A 67 5.434 -2.207 -5.955 1.00 0.00 H new ATOM 0 HA MET A 67 6.840 -4.025 -4.404 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.923 -3.303 -4.520 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.414 -4.719 -3.611 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.547 -1.926 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.201 -2.598 -2.247 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.648 -4.681 0.460 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.262 -3.902 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.868 -5.466 -0.934 1.00 0.00 H new ATOM 1024 N ASN A 68 6.060 -6.423 -5.095 1.00 0.00 N ATOM 1025 CA ASN A 68 5.823 -7.704 -5.707 1.00 0.00 C ATOM 1026 C ASN A 68 6.154 -8.649 -4.611 1.00 0.00 C ATOM 1027 O ASN A 68 7.228 -8.574 -4.028 1.00 0.00 O ATOM 1028 CB ASN A 68 6.708 -8.019 -6.957 1.00 0.00 C ATOM 1029 CG ASN A 68 6.029 -8.879 -8.049 1.00 0.00 C ATOM 1030 OD1 ASN A 68 5.089 -9.791 -7.653 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 6.362 -8.725 -9.230 1.00 0.00 N flip ATOM 0 H ASN A 68 6.563 -6.455 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 68 4.806 -7.759 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.024 -7.077 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.610 -8.532 -6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.068 -8.031 -9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.930 -9.292 -9.960 1.00 0.00 H new ATOM 1038 N LEU A 69 5.230 -9.593 -4.335 1.00 0.00 N ATOM 1039 CA LEU A 69 5.293 -10.580 -3.275 1.00 0.00 C ATOM 1040 C LEU A 69 5.902 -11.854 -3.846 1.00 0.00 C ATOM 1041 O LEU A 69 5.707 -12.973 -3.375 1.00 0.00 O ATOM 1042 CB LEU A 69 3.892 -10.658 -2.601 1.00 0.00 C ATOM 1043 CG LEU A 69 3.456 -11.913 -1.812 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.323 -12.160 -0.571 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.964 -11.834 -1.446 1.00 0.00 C ATOM 0 H LEU A 69 4.377 -9.678 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 69 5.959 -10.328 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.818 -9.811 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.151 -10.501 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 69 3.606 -12.771 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.973 -13.054 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.361 -12.299 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.252 -11.303 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.678 -12.727 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.787 -10.952 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.369 -11.767 -2.357 1.00 0.00 H new ATOM 1057 N GLU A 70 6.723 -11.640 -4.893 1.00 0.00 N ATOM 1058 CA GLU A 70 7.529 -12.567 -5.625 1.00 0.00 C ATOM 1059 C GLU A 70 8.596 -11.671 -6.197 1.00 0.00 C ATOM 1060 O GLU A 70 8.835 -11.613 -7.404 1.00 0.00 O ATOM 1061 CB GLU A 70 6.813 -13.352 -6.746 1.00 0.00 C ATOM 1062 CG GLU A 70 5.669 -14.271 -6.253 1.00 0.00 C ATOM 1063 CD GLU A 70 5.058 -15.148 -7.358 1.00 0.00 C ATOM 1064 OE1 GLU A 70 5.496 -15.071 -8.536 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.122 -15.924 -7.016 1.00 0.00 O ATOM 0 H GLU A 70 6.831 -10.698 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 70 7.878 -13.370 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.407 -12.643 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.548 -13.959 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.049 -14.915 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.884 -13.655 -5.815 1.00 0.00 H new ATOM 1072 N ALA A 71 9.254 -10.936 -5.273 1.00 0.00 N ATOM 1073 CA ALA A 71 10.311 -9.979 -5.511 1.00 0.00 C ATOM 1074 C ALA A 71 11.546 -10.559 -4.882 1.00 0.00 C ATOM 1075 O ALA A 71 11.493 -11.608 -4.239 1.00 0.00 O ATOM 1076 CB ALA A 71 10.006 -8.613 -4.871 1.00 0.00 C ATOM 0 H ALA A 71 9.031 -11.015 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 71 10.426 -9.807 -6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.826 -7.925 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.083 -8.212 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.892 -8.733 -3.794 1.00 0.00 H new ATOM 1082 N ARG A 72 12.702 -9.874 -5.066 1.00 0.00 N ATOM 1083 CA ARG A 72 13.974 -10.316 -4.544 1.00 0.00 C ATOM 1084 C ARG A 72 14.767 -9.049 -4.180 1.00 0.00 C ATOM 1085 O ARG A 72 14.996 -8.202 -5.086 1.00 0.00 O ATOM 1086 CB ARG A 72 14.750 -11.196 -5.556 1.00 0.00 C ATOM 1087 CG ARG A 72 15.647 -12.259 -4.896 1.00 0.00 C ATOM 1088 CD ARG A 72 16.444 -13.092 -5.921 1.00 0.00 C ATOM 1089 NE ARG A 72 17.058 -14.303 -5.258 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.116 -14.226 -4.388 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.947 -13.145 -4.353 1.00 0.00 N ATOM 1092 NH2 ARG A 72 18.341 -15.270 -3.535 1.00 0.00 N ATOM 1093 OXT ARG A 72 15.146 -8.912 -2.986 1.00 0.00 O ATOM 0 H ARG A 72 12.755 -8.998 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 72 13.822 -10.948 -3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.036 -11.693 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.367 -10.553 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.342 -11.768 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.029 -12.926 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.787 -13.408 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.227 -12.478 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 72 16.667 -15.222 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.791 -12.361 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.724 -13.121 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.728 -16.085 -3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.122 -15.234 -2.880 1.00 0.00 H new