USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 155:sc= -6.97! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -27.2! C(o=-41!,f=-34!) USER MOD Set 1.3: A 37 THR OG1 : rot -164:sc= 0.617 USER MOD Set 1.4: A 86 CYS SG : rot -122:sc= -3.34! USER MOD Set 1.5: A 88 SER OG : rot 8:sc= -4.54! USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.236 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 144:sc= 0.621 USER MOD Single : A 38 TYR OH : rot -131:sc= 0.592 USER MOD Single : A 40 SER OG : rot 140:sc= -4.55! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.235 (180deg=-0.686) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= -0.398 (180deg=-0.686) USER MOD Single : A 78 CYS SG : rot -52:sc= -1.46! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.022 -1.490 -6.168 1.00 0.00 N ATOM 29 CA ALA A 18 4.115 -1.698 -7.103 1.00 0.00 C ATOM 30 C ALA A 18 4.879 -2.966 -6.713 1.00 0.00 C ATOM 31 O ALA A 18 5.143 -3.820 -7.558 1.00 0.00 O ATOM 32 CB ALA A 18 5.012 -0.460 -7.124 1.00 0.00 C ATOM 0 HA ALA A 18 3.734 -1.840 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.832 -0.616 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.429 0.407 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.416 -0.286 -6.127 1.00 0.00 H new ATOM 38 N VAL A 19 5.212 -3.047 -5.434 1.00 0.00 N ATOM 39 CA VAL A 19 5.940 -4.196 -4.922 1.00 0.00 C ATOM 40 C VAL A 19 5.182 -5.476 -5.279 1.00 0.00 C ATOM 41 O VAL A 19 5.734 -6.370 -5.919 1.00 0.00 O ATOM 42 CB VAL A 19 6.174 -4.039 -3.418 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.861 -3.758 -2.685 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.872 -5.273 -2.841 1.00 0.00 C ATOM 0 H VAL A 19 4.991 -2.336 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 19 6.924 -4.262 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 19 6.830 -3.182 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.056 -3.651 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.420 -2.837 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.170 -4.585 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.027 -5.136 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.252 -6.153 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.835 -5.409 -3.332 1.00 0.00 H new ATOM 54 N TYR A 20 3.929 -5.522 -4.851 1.00 0.00 N ATOM 55 CA TYR A 20 3.090 -6.678 -5.117 1.00 0.00 C ATOM 56 C TYR A 20 3.152 -7.072 -6.594 1.00 0.00 C ATOM 57 O TYR A 20 3.091 -8.254 -6.928 1.00 0.00 O ATOM 58 CB TYR A 20 1.661 -6.249 -4.776 1.00 0.00 C ATOM 59 CG TYR A 20 0.944 -7.189 -3.806 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.643 -7.778 -2.772 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.402 -7.449 -3.964 1.00 0.00 C ATOM 62 CE1 TYR A 20 0.968 -8.663 -1.858 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.077 -8.334 -3.050 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.359 -8.897 -2.043 1.00 0.00 C ATOM 65 OH TYR A 20 -0.996 -9.733 -1.180 1.00 0.00 O ATOM 0 H TYR A 20 3.475 -4.778 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 20 3.421 -7.535 -4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.686 -5.248 -4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.082 -6.184 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.697 -7.575 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.949 -6.989 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.503 -9.130 -1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.130 -8.545 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.940 -9.806 -1.432 1.00 0.00 H new ATOM 75 N ILE A 21 3.274 -6.059 -7.439 1.00 0.00 N ATOM 76 CA ILE A 21 3.346 -6.285 -8.873 1.00 0.00 C ATOM 77 C ILE A 21 4.714 -6.873 -9.224 1.00 0.00 C ATOM 78 O ILE A 21 4.827 -7.687 -10.140 1.00 0.00 O ATOM 79 CB ILE A 21 3.015 -5.000 -9.635 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.744 -5.170 -10.470 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.203 -4.545 -10.485 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.864 -6.368 -11.414 1.00 0.00 C ATOM 0 H ILE A 21 3.325 -5.080 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 21 2.597 -7.014 -9.182 1.00 0.00 H new ATOM 0 HB ILE A 21 2.819 -4.212 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.887 -5.307 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.560 -4.264 -11.048 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.941 -3.630 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.061 -4.357 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.454 -5.323 -11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.947 -6.466 -11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.707 -6.217 -12.088 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.023 -7.276 -10.832 1.00 0.00 H new ATOM 94 N ALA A 22 5.719 -6.439 -8.478 1.00 0.00 N ATOM 95 CA ALA A 22 7.075 -6.912 -8.700 1.00 0.00 C ATOM 96 C ALA A 22 7.156 -8.398 -8.342 1.00 0.00 C ATOM 97 O ALA A 22 7.910 -9.148 -8.960 1.00 0.00 O ATOM 98 CB ALA A 22 8.052 -6.062 -7.885 1.00 0.00 C ATOM 0 H ALA A 22 5.622 -5.765 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 22 7.351 -6.809 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.069 -6.417 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.975 -5.020 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.808 -6.143 -6.826 1.00 0.00 H new ATOM 104 N ILE A 23 6.369 -8.778 -7.346 1.00 0.00 N ATOM 105 CA ILE A 23 6.343 -10.160 -6.899 1.00 0.00 C ATOM 106 C ILE A 23 5.209 -10.900 -7.611 1.00 0.00 C ATOM 107 O ILE A 23 5.230 -12.126 -7.712 1.00 0.00 O ATOM 108 CB ILE A 23 6.259 -10.228 -5.373 1.00 0.00 C ATOM 109 CG1 ILE A 23 5.558 -11.510 -4.919 1.00 0.00 C ATOM 110 CG2 ILE A 23 5.590 -8.976 -4.804 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.050 -11.290 -4.781 1.00 0.00 C ATOM 0 H ILE A 23 5.745 -8.153 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 23 7.271 -10.665 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 23 7.274 -10.258 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.749 -12.307 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.971 -11.836 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.543 -9.050 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.169 -8.096 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.580 -8.889 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.575 -12.216 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.862 -10.509 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.637 -10.988 -5.743 1.00 0.00 H new ATOM 123 N GLU A 24 4.245 -10.125 -8.085 1.00 0.00 N ATOM 124 CA GLU A 24 3.104 -10.691 -8.784 1.00 0.00 C ATOM 125 C GLU A 24 3.285 -10.550 -10.296 1.00 0.00 C ATOM 126 O GLU A 24 2.387 -10.889 -11.067 1.00 0.00 O ATOM 127 CB GLU A 24 1.799 -10.038 -8.324 1.00 0.00 C ATOM 128 CG GLU A 24 0.589 -10.869 -8.753 1.00 0.00 C ATOM 129 CD GLU A 24 -0.634 -9.979 -8.985 1.00 0.00 C ATOM 130 OE1 GLU A 24 -1.695 -10.476 -9.389 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.454 -8.728 -8.728 1.00 0.00 O ATOM 0 H GLU A 24 4.231 -9.109 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 24 3.045 -11.752 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.805 -9.931 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.723 -9.035 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.824 -11.415 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.363 -11.611 -7.987 1.00 0.00 H new ATOM 139 N ALA A 25 4.451 -10.050 -10.677 1.00 0.00 N ATOM 140 CA ALA A 25 4.761 -9.860 -12.084 1.00 0.00 C ATOM 141 C ALA A 25 5.172 -11.201 -12.696 1.00 0.00 C ATOM 142 O ALA A 25 5.516 -11.269 -13.875 1.00 0.00 O ATOM 143 CB ALA A 25 5.850 -8.795 -12.227 1.00 0.00 C ATOM 0 H ALA A 25 5.193 -9.770 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 25 3.885 -9.505 -12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.083 -8.652 -13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.497 -7.855 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.747 -9.118 -11.698 1.00 0.00 H new ATOM 149 N GLY A 26 5.123 -12.233 -11.868 1.00 0.00 N ATOM 150 CA GLY A 26 5.486 -13.568 -12.313 1.00 0.00 C ATOM 151 C GLY A 26 6.614 -14.145 -11.455 1.00 0.00 C ATOM 152 O GLY A 26 7.117 -15.232 -11.734 1.00 0.00 O ATOM 0 H GLY A 26 4.837 -12.172 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.615 -14.221 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.799 -13.535 -13.357 1.00 0.00 H new ATOM 156 N THR A 27 6.978 -13.390 -10.429 1.00 0.00 N ATOM 157 CA THR A 27 8.037 -13.813 -9.528 1.00 0.00 C ATOM 158 C THR A 27 7.653 -15.119 -8.829 1.00 0.00 C ATOM 159 O THR A 27 8.470 -16.031 -8.718 1.00 0.00 O ATOM 160 CB THR A 27 8.319 -12.664 -8.558 1.00 0.00 C ATOM 161 OG1 THR A 27 8.838 -11.628 -9.388 1.00 0.00 O ATOM 162 CG2 THR A 27 9.466 -12.979 -7.595 1.00 0.00 C ATOM 0 H THR A 27 6.559 -12.488 -10.202 1.00 0.00 H new ATOM 0 HA THR A 27 8.956 -14.031 -10.072 1.00 0.00 H new ATOM 0 HB THR A 27 7.417 -12.441 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.526 -10.759 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.625 -12.131 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.215 -13.861 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.376 -13.169 -8.163 1.00 0.00 H new ATOM 170 N LEU A 28 6.409 -15.165 -8.374 1.00 0.00 N ATOM 171 CA LEU A 28 5.907 -16.344 -7.689 1.00 0.00 C ATOM 172 C LEU A 28 4.682 -16.878 -8.434 1.00 0.00 C ATOM 173 O LEU A 28 4.205 -16.254 -9.381 1.00 0.00 O ATOM 174 CB LEU A 28 5.643 -16.034 -6.214 1.00 0.00 C ATOM 175 CG LEU A 28 6.433 -14.865 -5.622 1.00 0.00 C ATOM 176 CD1 LEU A 28 5.792 -14.371 -4.324 1.00 0.00 C ATOM 177 CD2 LEU A 28 7.904 -15.240 -5.428 1.00 0.00 C ATOM 0 H LEU A 28 5.735 -14.405 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 28 6.655 -17.137 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.580 -15.827 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.863 -16.928 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 28 6.402 -14.038 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.373 -13.540 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.774 -14.038 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.772 -15.182 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.443 -14.392 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.976 -16.090 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.342 -15.506 -6.390 1.00 0.00 H new ATOM 189 N ALA A 29 4.207 -18.028 -7.978 1.00 0.00 N ATOM 190 CA ALA A 29 3.047 -18.654 -8.589 1.00 0.00 C ATOM 191 C ALA A 29 2.087 -19.119 -7.493 1.00 0.00 C ATOM 192 O ALA A 29 2.520 -19.549 -6.425 1.00 0.00 O ATOM 193 CB ALA A 29 3.502 -19.803 -9.492 1.00 0.00 C ATOM 0 H ALA A 29 4.605 -18.543 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 29 2.512 -17.940 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.631 -20.272 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.158 -19.415 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.041 -20.541 -8.898 1.00 0.00 H new ATOM 199 N GLU A 30 0.801 -19.018 -7.795 1.00 0.00 N ATOM 200 CA GLU A 30 -0.224 -19.424 -6.848 1.00 0.00 C ATOM 201 C GLU A 30 -1.406 -20.058 -7.585 1.00 0.00 C ATOM 202 O GLU A 30 -1.837 -19.557 -8.622 1.00 0.00 O ATOM 203 CB GLU A 30 -0.682 -18.239 -5.996 1.00 0.00 C ATOM 204 CG GLU A 30 -0.880 -16.989 -6.855 1.00 0.00 C ATOM 205 CD GLU A 30 -2.053 -16.151 -6.342 1.00 0.00 C ATOM 206 OE1 GLU A 30 -2.939 -16.679 -5.654 1.00 0.00 O ATOM 207 OE2 GLU A 30 -2.024 -14.907 -6.682 1.00 0.00 O ATOM 0 H GLU A 30 0.445 -18.661 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 30 0.203 -20.169 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.615 -18.489 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.056 -18.038 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.031 -16.390 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.061 -17.280 -7.890 1.00 0.00 H new ATOM 215 N CYS A 31 -1.896 -21.152 -7.019 1.00 0.00 N ATOM 216 CA CYS A 31 -3.019 -21.860 -7.609 1.00 0.00 C ATOM 217 C CYS A 31 -4.189 -20.883 -7.738 1.00 0.00 C ATOM 218 O CYS A 31 -4.715 -20.402 -6.735 1.00 0.00 O ATOM 219 CB CYS A 31 -3.398 -23.099 -6.794 1.00 0.00 C ATOM 220 SG CYS A 31 -3.531 -24.555 -7.895 1.00 0.00 S ATOM 0 H CYS A 31 -1.536 -21.565 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.742 -22.226 -8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.648 -23.282 -6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.346 -22.932 -6.282 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.315 -25.638 -7.210 1.00 0.00 H new ATOM 225 N GLU A 32 -4.563 -20.618 -8.981 1.00 0.00 N ATOM 226 CA GLU A 32 -5.661 -19.707 -9.255 1.00 0.00 C ATOM 227 C GLU A 32 -7.002 -20.419 -9.065 1.00 0.00 C ATOM 228 O GLU A 32 -8.056 -19.850 -9.343 1.00 0.00 O ATOM 229 CB GLU A 32 -5.547 -19.117 -10.662 1.00 0.00 C ATOM 230 CG GLU A 32 -5.763 -20.194 -11.727 1.00 0.00 C ATOM 231 CD GLU A 32 -4.433 -20.822 -12.150 1.00 0.00 C ATOM 232 OE1 GLU A 32 -3.365 -20.340 -11.745 1.00 0.00 O ATOM 233 OE2 GLU A 32 -4.537 -21.846 -12.926 1.00 0.00 O ATOM 0 H GLU A 32 -4.125 -21.019 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.607 -18.881 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.283 -18.323 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.564 -18.664 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.427 -20.966 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.256 -19.758 -12.596 1.00 0.00 H new ATOM 241 N VAL A 33 -6.918 -21.654 -8.594 1.00 0.00 N ATOM 242 CA VAL A 33 -8.111 -22.451 -8.364 1.00 0.00 C ATOM 243 C VAL A 33 -8.352 -22.579 -6.859 1.00 0.00 C ATOM 244 O VAL A 33 -9.394 -23.073 -6.433 1.00 0.00 O ATOM 245 CB VAL A 33 -7.981 -23.804 -9.066 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.535 -24.061 -9.496 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.498 -24.936 -8.176 1.00 0.00 C ATOM 0 H VAL A 33 -6.042 -22.123 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.985 -21.961 -8.792 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.598 -23.776 -9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.470 -25.029 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.215 -23.278 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.889 -24.059 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.394 -25.887 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.920 -24.965 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.549 -24.764 -7.942 1.00 0.00 H new ATOM 257 N HIS A 34 -7.369 -22.125 -6.094 1.00 0.00 N ATOM 258 CA HIS A 34 -7.461 -22.183 -4.645 1.00 0.00 C ATOM 259 C HIS A 34 -7.081 -20.825 -4.052 1.00 0.00 C ATOM 260 O HIS A 34 -5.907 -20.456 -4.039 1.00 0.00 O ATOM 261 CB HIS A 34 -6.613 -23.330 -4.093 1.00 0.00 C ATOM 262 CG HIS A 34 -6.455 -24.492 -5.044 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.133 -24.328 -6.380 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.579 -25.834 -4.839 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.069 -25.525 -6.944 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.346 -26.457 -5.988 1.00 0.00 N ATOM 0 H HIS A 34 -6.505 -21.716 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.489 -22.394 -4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.625 -22.947 -3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.065 -23.690 -3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.825 -26.310 -3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.838 -25.727 -7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.370 -27.467 -6.132 1.00 0.00 H new ATOM 274 N GLU A 35 -8.095 -20.117 -3.577 1.00 0.00 N ATOM 275 CA GLU A 35 -7.882 -18.808 -2.984 1.00 0.00 C ATOM 276 C GLU A 35 -7.197 -18.947 -1.623 1.00 0.00 C ATOM 277 O GLU A 35 -7.730 -19.588 -0.719 1.00 0.00 O ATOM 278 CB GLU A 35 -9.200 -18.042 -2.859 1.00 0.00 C ATOM 279 CG GLU A 35 -8.948 -16.551 -2.624 1.00 0.00 C ATOM 280 CD GLU A 35 -8.171 -15.936 -3.790 1.00 0.00 C ATOM 281 OE1 GLU A 35 -6.985 -15.607 -3.640 1.00 0.00 O ATOM 282 OE2 GLU A 35 -8.843 -15.804 -4.883 1.00 0.00 O ATOM 0 H GLU A 35 -9.067 -20.426 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.228 -18.235 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.790 -18.176 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.785 -18.450 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.899 -16.033 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.390 -16.414 -1.698 1.00 0.00 H new ATOM 290 N GLY A 36 -6.027 -18.335 -1.520 1.00 0.00 N ATOM 291 CA GLY A 36 -5.263 -18.382 -0.285 1.00 0.00 C ATOM 292 C GLY A 36 -4.034 -19.281 -0.433 1.00 0.00 C ATOM 293 O GLY A 36 -3.170 -19.306 0.441 1.00 0.00 O ATOM 0 H GLY A 36 -5.589 -17.803 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.950 -17.375 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.894 -18.753 0.523 1.00 0.00 H new ATOM 297 N THR A 37 -3.996 -19.997 -1.548 1.00 0.00 N ATOM 298 CA THR A 37 -2.887 -20.895 -1.822 1.00 0.00 C ATOM 299 C THR A 37 -1.842 -20.200 -2.698 1.00 0.00 C ATOM 300 O THR A 37 -2.182 -19.594 -3.713 1.00 0.00 O ATOM 301 CB THR A 37 -3.455 -22.169 -2.449 1.00 0.00 C ATOM 302 OG1 THR A 37 -2.718 -23.219 -1.829 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.107 -22.297 -3.934 1.00 0.00 C ATOM 0 H THR A 37 -4.715 -19.973 -2.271 1.00 0.00 H new ATOM 0 HA THR A 37 -2.365 -21.171 -0.906 1.00 0.00 H new ATOM 0 HB THR A 37 -4.538 -22.181 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.836 -24.047 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.534 -23.218 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.515 -21.445 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.024 -22.319 -4.053 1.00 0.00 H new ATOM 311 N TYR A 38 -0.592 -20.312 -2.274 1.00 0.00 N ATOM 312 CA TYR A 38 0.504 -19.702 -3.007 1.00 0.00 C ATOM 313 C TYR A 38 1.759 -20.575 -2.944 1.00 0.00 C ATOM 314 O TYR A 38 1.816 -21.531 -2.172 1.00 0.00 O ATOM 315 CB TYR A 38 0.789 -18.370 -2.309 1.00 0.00 C ATOM 316 CG TYR A 38 -0.110 -17.221 -2.771 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.385 -17.094 -2.260 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.356 -16.312 -3.699 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.231 -16.013 -2.695 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.490 -15.230 -4.134 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.742 -15.134 -3.610 1.00 0.00 C ATOM 322 OH TYR A 38 -2.540 -14.113 -4.021 1.00 0.00 O ATOM 0 H TYR A 38 -0.314 -20.816 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 38 0.240 -19.576 -4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.669 -18.502 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.830 -18.096 -2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.749 -17.806 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.354 -16.412 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.231 -15.903 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.138 -14.511 -4.860 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.530 -14.064 -5.000 1.00 0.00 H new ATOM 332 N PHE A 39 2.733 -20.216 -3.766 1.00 0.00 N ATOM 333 CA PHE A 39 3.983 -20.955 -3.814 1.00 0.00 C ATOM 334 C PHE A 39 4.994 -20.265 -4.733 1.00 0.00 C ATOM 335 O PHE A 39 4.782 -20.180 -5.941 1.00 0.00 O ATOM 336 CB PHE A 39 3.663 -22.340 -4.377 1.00 0.00 C ATOM 337 CG PHE A 39 3.374 -22.349 -5.880 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.117 -22.092 -6.332 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.373 -22.614 -6.763 1.00 0.00 C ATOM 340 CE1 PHE A 39 1.849 -22.101 -7.726 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.105 -22.623 -8.158 1.00 0.00 C ATOM 342 CZ PHE A 39 2.848 -22.366 -8.610 1.00 0.00 C ATOM 0 H PHE A 39 2.682 -19.422 -4.405 1.00 0.00 H new ATOM 0 HA PHE A 39 4.419 -21.012 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.502 -23.006 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.800 -22.745 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.323 -21.881 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.371 -22.818 -6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.851 -21.897 -8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.899 -22.834 -8.859 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.643 -22.372 -9.670 1.00 0.00 H new ATOM 352 N SER A 40 6.070 -19.789 -4.124 1.00 0.00 N ATOM 353 CA SER A 40 7.114 -19.109 -4.872 1.00 0.00 C ATOM 354 C SER A 40 8.198 -20.108 -5.285 1.00 0.00 C ATOM 355 O SER A 40 8.446 -21.085 -4.581 1.00 0.00 O ATOM 356 CB SER A 40 7.725 -17.970 -4.054 1.00 0.00 C ATOM 357 OG SER A 40 6.738 -17.046 -3.605 1.00 0.00 O ATOM 0 H SER A 40 6.242 -19.861 -3.121 1.00 0.00 H new ATOM 0 HA SER A 40 6.667 -18.677 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.252 -18.383 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.464 -17.445 -4.659 1.00 0.00 H new ATOM 0 HG SER A 40 6.942 -16.770 -2.687 1.00 0.00 H new ATOM 363 N ASP A 41 8.814 -19.827 -6.424 1.00 0.00 N ATOM 364 CA ASP A 41 9.865 -20.689 -6.938 1.00 0.00 C ATOM 365 C ASP A 41 10.739 -21.168 -5.777 1.00 0.00 C ATOM 366 O ASP A 41 11.645 -20.458 -5.344 1.00 0.00 O ATOM 367 CB ASP A 41 10.760 -19.937 -7.925 1.00 0.00 C ATOM 368 CG ASP A 41 11.044 -20.677 -9.233 1.00 0.00 C ATOM 369 OD1 ASP A 41 12.086 -20.467 -9.872 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.130 -21.510 -9.598 1.00 0.00 O ATOM 0 H ASP A 41 8.606 -19.015 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 41 9.393 -21.530 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.293 -18.981 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.709 -19.716 -7.436 1.00 0.00 H new ATOM 376 N SER A 42 10.437 -22.369 -5.307 1.00 0.00 N ATOM 377 CA SER A 42 11.184 -22.951 -4.205 1.00 0.00 C ATOM 378 C SER A 42 12.582 -23.355 -4.677 1.00 0.00 C ATOM 379 O SER A 42 12.744 -23.868 -5.783 1.00 0.00 O ATOM 380 CB SER A 42 10.451 -24.161 -3.621 1.00 0.00 C ATOM 381 OG SER A 42 11.202 -24.792 -2.588 1.00 0.00 O ATOM 0 H SER A 42 9.685 -22.955 -5.669 1.00 0.00 H new ATOM 0 HA SER A 42 11.275 -22.201 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.486 -23.844 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.250 -24.881 -4.414 1.00 0.00 H new ATOM 0 HG SER A 42 10.700 -25.558 -2.240 1.00 0.00 H new ATOM 387 N GLY A 43 13.557 -23.108 -3.814 1.00 0.00 N ATOM 388 CA GLY A 43 14.936 -23.439 -4.128 1.00 0.00 C ATOM 389 C GLY A 43 15.768 -22.174 -4.345 1.00 0.00 C ATOM 390 O GLY A 43 16.974 -22.169 -4.101 1.00 0.00 O ATOM 0 H GLY A 43 13.419 -22.682 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.366 -24.027 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.970 -24.059 -5.024 1.00 0.00 H new ATOM 394 N ASP A 44 15.091 -21.130 -4.801 1.00 0.00 N ATOM 395 CA ASP A 44 15.753 -19.861 -5.054 1.00 0.00 C ATOM 396 C ASP A 44 14.786 -18.716 -4.745 1.00 0.00 C ATOM 397 O ASP A 44 14.154 -18.172 -5.648 1.00 0.00 O ATOM 398 CB ASP A 44 16.173 -19.742 -6.520 1.00 0.00 C ATOM 399 CG ASP A 44 17.522 -19.057 -6.753 1.00 0.00 C ATOM 400 OD1 ASP A 44 18.402 -19.597 -7.439 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.653 -17.905 -6.188 1.00 0.00 O ATOM 0 H ASP A 44 14.091 -21.137 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 44 16.638 -19.810 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.210 -20.741 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.404 -19.189 -7.059 1.00 0.00 H new ATOM 407 N ILE A 45 14.702 -18.385 -3.465 1.00 0.00 N ATOM 408 CA ILE A 45 13.823 -17.315 -3.025 1.00 0.00 C ATOM 409 C ILE A 45 14.426 -15.968 -3.428 1.00 0.00 C ATOM 410 O ILE A 45 13.697 -15.019 -3.715 1.00 0.00 O ATOM 411 CB ILE A 45 13.538 -17.437 -1.527 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.345 -18.360 -1.269 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.345 -16.059 -0.891 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.045 -17.559 -1.167 1.00 0.00 C ATOM 0 H ILE A 45 15.228 -18.839 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 45 12.854 -17.392 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 45 14.406 -17.892 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.264 -19.090 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.505 -18.919 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.144 -16.175 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.249 -15.466 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.504 -15.553 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.213 -18.238 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.120 -16.847 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.875 -17.021 -2.099 1.00 0.00 H new ATOM 426 N SER A 46 15.750 -15.927 -3.437 1.00 0.00 N ATOM 427 CA SER A 46 16.459 -14.712 -3.800 1.00 0.00 C ATOM 428 C SER A 46 16.269 -14.421 -5.290 1.00 0.00 C ATOM 429 O SER A 46 16.303 -13.265 -5.710 1.00 0.00 O ATOM 430 CB SER A 46 17.948 -14.822 -3.466 1.00 0.00 C ATOM 431 OG SER A 46 18.178 -14.858 -2.060 1.00 0.00 O ATOM 0 H SER A 46 16.351 -16.716 -3.199 1.00 0.00 H new ATOM 0 HA SER A 46 16.045 -13.888 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.357 -15.723 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.480 -13.975 -3.899 1.00 0.00 H new ATOM 0 HG SER A 46 19.140 -14.930 -1.888 1.00 0.00 H new ATOM 437 N GLU A 47 16.074 -15.489 -6.049 1.00 0.00 N ATOM 438 CA GLU A 47 15.879 -15.363 -7.483 1.00 0.00 C ATOM 439 C GLU A 47 14.665 -14.480 -7.778 1.00 0.00 C ATOM 440 O GLU A 47 14.645 -13.760 -8.776 1.00 0.00 O ATOM 441 CB GLU A 47 15.730 -16.738 -8.139 1.00 0.00 C ATOM 442 CG GLU A 47 15.293 -16.604 -9.599 1.00 0.00 C ATOM 443 CD GLU A 47 15.778 -17.795 -10.428 1.00 0.00 C ATOM 444 OE1 GLU A 47 16.747 -18.465 -10.042 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.109 -18.015 -11.509 1.00 0.00 O ATOM 0 H GLU A 47 16.047 -16.446 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 47 16.762 -14.887 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.677 -17.274 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.998 -17.330 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.206 -16.538 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.690 -15.679 -10.018 1.00 0.00 H new ATOM 453 N ALA A 48 13.683 -14.563 -6.893 1.00 0.00 N ATOM 454 CA ALA A 48 12.469 -13.781 -7.046 1.00 0.00 C ATOM 455 C ALA A 48 12.819 -12.292 -7.010 1.00 0.00 C ATOM 456 O ALA A 48 12.344 -11.518 -7.840 1.00 0.00 O ATOM 457 CB ALA A 48 11.469 -14.171 -5.956 1.00 0.00 C ATOM 0 H ALA A 48 13.704 -15.161 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 48 11.999 -13.986 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.558 -13.584 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.231 -15.231 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.905 -13.976 -4.976 1.00 0.00 H new ATOM 463 N GLU A 49 13.648 -11.935 -6.040 1.00 0.00 N ATOM 464 CA GLU A 49 14.068 -10.552 -5.885 1.00 0.00 C ATOM 465 C GLU A 49 14.869 -10.100 -7.107 1.00 0.00 C ATOM 466 O GLU A 49 14.694 -8.983 -7.590 1.00 0.00 O ATOM 467 CB GLU A 49 14.876 -10.365 -4.599 1.00 0.00 C ATOM 468 CG GLU A 49 16.372 -10.264 -4.902 1.00 0.00 C ATOM 469 CD GLU A 49 17.191 -10.203 -3.611 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.318 -9.126 -3.008 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.704 -11.325 -3.237 1.00 0.00 O ATOM 0 H GLU A 49 14.040 -12.579 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 49 13.177 -9.929 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.544 -9.463 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.693 -11.202 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.685 -11.123 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.566 -9.375 -5.502 1.00 0.00 H new ATOM 479 N GLU A 50 15.731 -10.992 -7.572 1.00 0.00 N ATOM 480 CA GLU A 50 16.560 -10.699 -8.729 1.00 0.00 C ATOM 481 C GLU A 50 15.685 -10.379 -9.942 1.00 0.00 C ATOM 482 O GLU A 50 15.773 -9.289 -10.505 1.00 0.00 O ATOM 483 CB GLU A 50 17.511 -11.860 -9.031 1.00 0.00 C ATOM 484 CG GLU A 50 18.759 -11.369 -9.767 1.00 0.00 C ATOM 485 CD GLU A 50 19.806 -10.846 -8.782 1.00 0.00 C ATOM 486 OE1 GLU A 50 20.986 -11.216 -8.877 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.357 -10.025 -7.894 1.00 0.00 O ATOM 0 H GLU A 50 15.873 -11.918 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 50 17.168 -9.823 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.802 -12.348 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.998 -12.607 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.183 -12.183 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.486 -10.579 -10.466 1.00 0.00 H new ATOM 495 N LEU A 51 14.859 -11.348 -10.308 1.00 0.00 N ATOM 496 CA LEU A 51 13.967 -11.182 -11.444 1.00 0.00 C ATOM 497 C LEU A 51 13.006 -10.025 -11.168 1.00 0.00 C ATOM 498 O LEU A 51 12.512 -9.388 -12.097 1.00 0.00 O ATOM 499 CB LEU A 51 13.265 -12.501 -11.770 1.00 0.00 C ATOM 500 CG LEU A 51 12.585 -13.208 -10.596 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.067 -13.027 -10.652 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.985 -14.683 -10.537 1.00 0.00 C ATOM 0 H LEU A 51 14.788 -12.251 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 51 14.533 -10.919 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.515 -12.310 -12.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.998 -13.182 -12.203 1.00 0.00 H new ATOM 0 HG LEU A 51 12.931 -12.744 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.608 -13.539 -9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.825 -11.965 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.684 -13.448 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.487 -15.161 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.688 -15.178 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.065 -14.762 -10.414 1.00 0.00 H new ATOM 514 N ALA A 52 12.769 -9.787 -9.886 1.00 0.00 N ATOM 515 CA ALA A 52 11.875 -8.718 -9.476 1.00 0.00 C ATOM 516 C ALA A 52 12.507 -7.369 -9.825 1.00 0.00 C ATOM 517 O ALA A 52 11.852 -6.505 -10.406 1.00 0.00 O ATOM 518 CB ALA A 52 11.572 -8.850 -7.982 1.00 0.00 C ATOM 0 H ALA A 52 13.181 -10.317 -9.118 1.00 0.00 H new ATOM 0 HA ALA A 52 10.926 -8.786 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.901 -8.048 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.098 -9.813 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.501 -8.784 -7.415 1.00 0.00 H new ATOM 524 N ARG A 53 13.772 -7.231 -9.457 1.00 0.00 N ATOM 525 CA ARG A 53 14.499 -6.002 -9.724 1.00 0.00 C ATOM 526 C ARG A 53 14.629 -5.779 -11.232 1.00 0.00 C ATOM 527 O ARG A 53 14.601 -4.642 -11.700 1.00 0.00 O ATOM 528 CB ARG A 53 15.895 -6.041 -9.099 1.00 0.00 C ATOM 529 CG ARG A 53 16.891 -5.231 -9.931 1.00 0.00 C ATOM 530 CD ARG A 53 17.600 -6.119 -10.955 1.00 0.00 C ATOM 531 NE ARG A 53 18.004 -5.314 -12.130 1.00 0.00 N ATOM 532 CZ ARG A 53 18.573 -5.824 -13.230 1.00 0.00 C ATOM 533 NH1 ARG A 53 18.808 -7.140 -13.314 1.00 0.00 N ATOM 534 NH2 ARG A 53 18.906 -5.017 -14.247 1.00 0.00 N ATOM 0 H ARG A 53 14.312 -7.950 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 53 13.937 -5.181 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.855 -5.643 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.235 -7.074 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.369 -4.423 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.627 -4.768 -9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.477 -6.582 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.939 -6.927 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 53 17.839 -4.308 -12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.554 -7.754 -12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.241 -7.528 -14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.726 -4.015 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.339 -5.405 -15.085 1.00 0.00 H new ATOM 548 N GLU A 54 14.768 -6.883 -11.951 1.00 0.00 N ATOM 549 CA GLU A 54 14.903 -6.823 -13.397 1.00 0.00 C ATOM 550 C GLU A 54 13.585 -6.379 -14.034 1.00 0.00 C ATOM 551 O GLU A 54 13.555 -5.417 -14.801 1.00 0.00 O ATOM 552 CB GLU A 54 15.358 -8.170 -13.962 1.00 0.00 C ATOM 553 CG GLU A 54 16.041 -7.992 -15.319 1.00 0.00 C ATOM 554 CD GLU A 54 17.050 -9.113 -15.577 1.00 0.00 C ATOM 555 OE1 GLU A 54 18.118 -9.143 -14.947 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.691 -9.975 -16.467 1.00 0.00 O ATOM 0 H GLU A 54 14.790 -7.825 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 54 15.669 -6.087 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.046 -8.647 -13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.499 -8.833 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.291 -7.984 -16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.548 -7.027 -15.351 1.00 0.00 H new ATOM 564 N LYS A 55 12.527 -7.100 -13.693 1.00 0.00 N ATOM 565 CA LYS A 55 11.209 -6.792 -14.223 1.00 0.00 C ATOM 566 C LYS A 55 10.868 -5.333 -13.913 1.00 0.00 C ATOM 567 O LYS A 55 10.504 -4.573 -14.810 1.00 0.00 O ATOM 568 CB LYS A 55 10.175 -7.790 -13.699 1.00 0.00 C ATOM 569 CG LYS A 55 10.296 -9.135 -14.419 1.00 0.00 C ATOM 570 CD LYS A 55 9.588 -9.097 -15.774 1.00 0.00 C ATOM 571 CE LYS A 55 10.082 -10.226 -16.682 1.00 0.00 C ATOM 572 NZ LYS A 55 9.518 -10.080 -18.043 1.00 0.00 N ATOM 0 H LYS A 55 12.555 -7.896 -13.056 1.00 0.00 H new ATOM 0 HA LYS A 55 11.200 -6.898 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.314 -7.934 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.172 -7.387 -13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.348 -9.382 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.864 -9.922 -13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.511 -9.187 -15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.766 -8.135 -16.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.171 -10.212 -16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.793 -11.190 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.863 -10.854 -18.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.480 -10.115 -17.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.815 -9.168 -18.446 1.00 0.00 H new ATOM 586 N PHE A 56 10.997 -4.985 -12.641 1.00 0.00 N ATOM 587 CA PHE A 56 10.707 -3.631 -12.202 1.00 0.00 C ATOM 588 C PHE A 56 11.691 -2.633 -12.816 1.00 0.00 C ATOM 589 O PHE A 56 11.312 -1.516 -13.163 1.00 0.00 O ATOM 590 CB PHE A 56 10.862 -3.611 -10.680 1.00 0.00 C ATOM 591 CG PHE A 56 9.951 -2.605 -9.975 1.00 0.00 C ATOM 592 CD1 PHE A 56 9.946 -1.302 -10.366 1.00 0.00 C ATOM 593 CD2 PHE A 56 9.146 -3.012 -8.958 1.00 0.00 C ATOM 594 CE1 PHE A 56 9.101 -0.367 -9.711 1.00 0.00 C ATOM 595 CE2 PHE A 56 8.300 -2.078 -8.303 1.00 0.00 C ATOM 596 CZ PHE A 56 8.296 -0.775 -8.694 1.00 0.00 C ATOM 0 H PHE A 56 11.299 -5.618 -11.900 1.00 0.00 H new ATOM 0 HA PHE A 56 9.701 -3.347 -12.512 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.655 -4.608 -10.291 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.899 -3.382 -10.434 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.585 -0.978 -11.175 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.150 -4.046 -8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.098 0.668 -10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.660 -2.402 -7.495 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.653 -0.064 -8.196 1.00 0.00 H new ATOM 606 N GLU A 57 12.935 -3.073 -12.932 1.00 0.00 N ATOM 607 CA GLU A 57 13.977 -2.232 -13.497 1.00 0.00 C ATOM 608 C GLU A 57 13.577 -1.762 -14.897 1.00 0.00 C ATOM 609 O GLU A 57 13.807 -0.608 -15.258 1.00 0.00 O ATOM 610 CB GLU A 57 15.318 -2.967 -13.528 1.00 0.00 C ATOM 611 CG GLU A 57 16.272 -2.325 -14.539 1.00 0.00 C ATOM 612 CD GLU A 57 16.462 -0.836 -14.244 1.00 0.00 C ATOM 613 OE1 GLU A 57 16.802 -0.467 -13.110 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.244 -0.050 -15.243 1.00 0.00 O ATOM 0 H GLU A 57 13.245 -4.001 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 57 14.095 -1.355 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.769 -2.950 -12.536 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.157 -4.013 -13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.237 -2.832 -14.507 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.878 -2.452 -15.547 1.00 0.00 H new ATOM 622 N LYS A 58 12.984 -2.679 -15.648 1.00 0.00 N ATOM 623 CA LYS A 58 12.550 -2.372 -17.001 1.00 0.00 C ATOM 624 C LYS A 58 11.121 -1.828 -16.962 1.00 0.00 C ATOM 625 O LYS A 58 10.434 -1.803 -17.982 1.00 0.00 O ATOM 626 CB LYS A 58 12.719 -3.593 -17.907 1.00 0.00 C ATOM 627 CG LYS A 58 12.854 -3.173 -19.372 1.00 0.00 C ATOM 628 CD LYS A 58 14.283 -2.723 -19.685 1.00 0.00 C ATOM 629 CE LYS A 58 14.403 -2.246 -21.133 1.00 0.00 C ATOM 630 NZ LYS A 58 14.451 -3.401 -22.057 1.00 0.00 N ATOM 0 H LYS A 58 12.794 -3.634 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 58 13.176 -1.593 -17.435 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.601 -4.156 -17.604 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.862 -4.257 -17.793 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.582 -4.007 -20.019 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.158 -2.362 -19.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.571 -1.918 -19.008 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.974 -3.548 -19.512 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.556 -1.608 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.303 -1.642 -21.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.532 -3.059 -23.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.273 -3.995 -21.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.581 -3.962 -21.957 1.00 0.00 H new ATOM 754 N VAL A 67 16.761 -0.005 -5.535 1.00 0.00 N ATOM 755 CA VAL A 67 16.710 -1.364 -6.048 1.00 0.00 C ATOM 756 C VAL A 67 16.830 -2.349 -4.883 1.00 0.00 C ATOM 757 O VAL A 67 15.964 -3.203 -4.697 1.00 0.00 O ATOM 758 CB VAL A 67 17.791 -1.562 -7.113 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.180 -1.259 -6.547 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.733 -2.976 -7.696 1.00 0.00 C ATOM 0 HA VAL A 67 15.754 -1.553 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 67 17.598 -0.857 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.930 -1.407 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 67 19.215 -0.226 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.386 -1.928 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.511 -3.091 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.889 -3.704 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.757 -3.141 -8.153 1.00 0.00 H new ATOM 770 N GLU A 68 17.910 -2.198 -4.131 1.00 0.00 N ATOM 771 CA GLU A 68 18.154 -3.064 -2.990 1.00 0.00 C ATOM 772 C GLU A 68 16.905 -3.146 -2.109 1.00 0.00 C ATOM 773 O GLU A 68 16.538 -4.225 -1.647 1.00 0.00 O ATOM 774 CB GLU A 68 19.362 -2.581 -2.184 1.00 0.00 C ATOM 775 CG GLU A 68 20.669 -3.069 -2.812 1.00 0.00 C ATOM 776 CD GLU A 68 21.157 -2.096 -3.888 1.00 0.00 C ATOM 777 OE1 GLU A 68 22.153 -2.376 -4.571 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.461 -1.015 -4.001 1.00 0.00 O ATOM 0 H GLU A 68 18.626 -1.489 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 68 18.381 -4.064 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.361 -1.492 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.289 -2.944 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.431 -3.174 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.520 -4.056 -3.250 1.00 0.00 H new ATOM 786 N GLU A 69 16.288 -1.992 -1.904 1.00 0.00 N ATOM 787 CA GLU A 69 15.088 -1.920 -1.087 1.00 0.00 C ATOM 788 C GLU A 69 13.919 -2.602 -1.800 1.00 0.00 C ATOM 789 O GLU A 69 13.063 -3.208 -1.158 1.00 0.00 O ATOM 790 CB GLU A 69 14.748 -0.470 -0.739 1.00 0.00 C ATOM 791 CG GLU A 69 13.345 -0.365 -0.138 1.00 0.00 C ATOM 792 CD GLU A 69 13.179 0.941 0.642 1.00 0.00 C ATOM 793 OE1 GLU A 69 14.150 1.441 1.228 1.00 0.00 O ATOM 794 OE2 GLU A 69 11.989 1.438 0.625 1.00 0.00 O ATOM 0 H GLU A 69 16.596 -1.099 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 69 15.276 -2.448 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.480 -0.081 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.811 0.147 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.600 -0.415 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.164 -1.213 0.523 1.00 0.00 H new ATOM 802 N LEU A 70 13.920 -2.480 -3.120 1.00 0.00 N ATOM 803 CA LEU A 70 12.869 -3.076 -3.927 1.00 0.00 C ATOM 804 C LEU A 70 12.955 -4.600 -3.823 1.00 0.00 C ATOM 805 O LEU A 70 11.971 -5.259 -3.488 1.00 0.00 O ATOM 806 CB LEU A 70 12.936 -2.554 -5.364 1.00 0.00 C ATOM 807 CG LEU A 70 11.595 -2.406 -6.086 1.00 0.00 C ATOM 808 CD1 LEU A 70 11.720 -2.802 -7.559 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.497 -3.195 -5.372 1.00 0.00 C ATOM 0 H LEU A 70 14.632 -1.977 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 70 11.888 -2.784 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.430 -1.583 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.567 -3.227 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 70 11.306 -1.355 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.753 -2.688 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.453 -2.160 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.043 -3.841 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.555 -3.072 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.765 -4.251 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.387 -2.825 -4.353 1.00 0.00 H new ATOM 821 N VAL A 71 14.139 -5.116 -4.115 1.00 0.00 N ATOM 822 CA VAL A 71 14.366 -6.550 -4.058 1.00 0.00 C ATOM 823 C VAL A 71 13.968 -7.070 -2.676 1.00 0.00 C ATOM 824 O VAL A 71 13.291 -8.092 -2.564 1.00 0.00 O ATOM 825 CB VAL A 71 15.819 -6.865 -4.420 1.00 0.00 C ATOM 826 CG1 VAL A 71 16.097 -6.555 -5.892 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.787 -6.109 -3.508 1.00 0.00 C ATOM 0 H VAL A 71 14.952 -4.566 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 71 13.744 -7.065 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 71 15.979 -7.932 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.137 -6.788 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.442 -7.158 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.911 -5.498 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.813 -6.350 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.625 -5.036 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.614 -6.401 -2.472 1.00 0.00 H new ATOM 837 N LYS A 72 14.404 -6.344 -1.657 1.00 0.00 N ATOM 838 CA LYS A 72 14.102 -6.720 -0.286 1.00 0.00 C ATOM 839 C LYS A 72 12.585 -6.734 -0.089 1.00 0.00 C ATOM 840 O LYS A 72 12.055 -7.589 0.620 1.00 0.00 O ATOM 841 CB LYS A 72 14.841 -5.808 0.695 1.00 0.00 C ATOM 842 CG LYS A 72 14.475 -6.146 2.141 1.00 0.00 C ATOM 843 CD LYS A 72 14.648 -4.928 3.050 1.00 0.00 C ATOM 844 CE LYS A 72 14.318 -5.277 4.503 1.00 0.00 C ATOM 845 NZ LYS A 72 13.236 -6.285 4.560 1.00 0.00 N ATOM 0 H LYS A 72 14.964 -5.497 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 72 14.461 -7.728 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.917 -5.913 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.592 -4.767 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.443 -6.494 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.103 -6.962 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.673 -4.563 2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.999 -4.121 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.208 -5.661 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.014 -4.378 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.884 -6.362 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.458 -5.995 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.604 -7.207 4.251 1.00 0.00 H new ATOM 859 N LYS A 73 11.928 -5.777 -0.728 1.00 0.00 N ATOM 860 CA LYS A 73 10.482 -5.668 -0.631 1.00 0.00 C ATOM 861 C LYS A 73 9.839 -6.900 -1.271 1.00 0.00 C ATOM 862 O LYS A 73 8.793 -7.363 -0.820 1.00 0.00 O ATOM 863 CB LYS A 73 10.003 -4.344 -1.229 1.00 0.00 C ATOM 864 CG LYS A 73 8.821 -3.781 -0.438 1.00 0.00 C ATOM 865 CD LYS A 73 8.792 -2.253 -0.506 1.00 0.00 C ATOM 866 CE LYS A 73 9.420 -1.637 0.746 1.00 0.00 C ATOM 867 NZ LYS A 73 10.750 -2.233 1.006 1.00 0.00 N ATOM 0 H LYS A 73 12.370 -5.070 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 73 10.170 -5.650 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.821 -3.624 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.711 -4.495 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.889 -4.184 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.890 -4.101 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.330 -1.914 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.763 -1.909 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.517 -0.559 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.768 -1.799 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.226 -1.702 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.635 -3.225 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.324 -2.192 0.140 1.00 0.00 H new ATOM 881 N VAL A 74 10.492 -7.395 -2.313 1.00 0.00 N ATOM 882 CA VAL A 74 9.996 -8.564 -3.019 1.00 0.00 C ATOM 883 C VAL A 74 10.211 -9.807 -2.154 1.00 0.00 C ATOM 884 O VAL A 74 9.334 -10.665 -2.063 1.00 0.00 O ATOM 885 CB VAL A 74 10.665 -8.668 -4.392 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.123 -9.865 -5.176 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.495 -7.371 -5.184 1.00 0.00 C ATOM 0 H VAL A 74 11.359 -7.008 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 74 8.925 -8.475 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 74 11.732 -8.826 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.614 -9.916 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.319 -10.782 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.048 -9.750 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.979 -7.472 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.434 -7.169 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.951 -6.547 -4.635 1.00 0.00 H new ATOM 897 N VAL A 75 11.384 -9.865 -1.539 1.00 0.00 N ATOM 898 CA VAL A 75 11.725 -10.989 -0.683 1.00 0.00 C ATOM 899 C VAL A 75 10.823 -10.976 0.553 1.00 0.00 C ATOM 900 O VAL A 75 10.457 -12.031 1.069 1.00 0.00 O ATOM 901 CB VAL A 75 13.215 -10.950 -0.337 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.439 -11.217 1.153 1.00 0.00 C ATOM 903 CG2 VAL A 75 14.004 -11.939 -1.196 1.00 0.00 C ATOM 0 H VAL A 75 12.109 -9.152 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 75 11.550 -11.931 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 75 13.584 -9.948 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.506 -11.184 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.924 -10.457 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.047 -12.201 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 75 15.060 -11.891 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.632 -12.949 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.883 -11.683 -2.249 1.00 0.00 H new ATOM 913 N ALA A 76 10.492 -9.771 0.992 1.00 0.00 N ATOM 914 CA ALA A 76 9.641 -9.607 2.157 1.00 0.00 C ATOM 915 C ALA A 76 8.229 -10.095 1.825 1.00 0.00 C ATOM 916 O ALA A 76 7.592 -10.762 2.638 1.00 0.00 O ATOM 917 CB ALA A 76 9.662 -8.143 2.603 1.00 0.00 C ATOM 0 H ALA A 76 10.798 -8.899 0.561 1.00 0.00 H new ATOM 0 HA ALA A 76 10.010 -10.207 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.023 -8.020 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.682 -7.854 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.296 -7.511 1.794 1.00 0.00 H new ATOM 923 N VAL A 77 7.782 -9.743 0.629 1.00 0.00 N ATOM 924 CA VAL A 77 6.458 -10.137 0.179 1.00 0.00 C ATOM 925 C VAL A 77 6.423 -11.653 -0.024 1.00 0.00 C ATOM 926 O VAL A 77 5.511 -12.326 0.453 1.00 0.00 O ATOM 927 CB VAL A 77 6.079 -9.356 -1.081 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.655 -9.692 -1.527 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.245 -7.851 -0.864 1.00 0.00 C ATOM 0 H VAL A 77 8.313 -9.189 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 77 5.710 -9.893 0.933 1.00 0.00 H new ATOM 0 HB VAL A 77 6.759 -9.656 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.411 -9.123 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.583 -10.758 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.955 -9.434 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.969 -7.319 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.601 -7.528 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.284 -7.631 -0.616 1.00 0.00 H new ATOM 939 N CYS A 78 7.428 -12.146 -0.733 1.00 0.00 N ATOM 940 CA CYS A 78 7.524 -13.570 -1.005 1.00 0.00 C ATOM 941 C CYS A 78 7.444 -14.320 0.326 1.00 0.00 C ATOM 942 O CYS A 78 6.782 -15.353 0.422 1.00 0.00 O ATOM 943 CB CYS A 78 8.799 -13.914 -1.778 1.00 0.00 C ATOM 944 SG CYS A 78 10.166 -14.252 -0.611 1.00 0.00 S ATOM 0 H CYS A 78 8.183 -11.585 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 78 6.696 -13.877 -1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.627 -14.784 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.068 -13.089 -2.437 1.00 0.00 H new ATOM 0 HG CYS A 78 10.267 -13.270 0.235 1.00 0.00 H new ATOM 950 N GLU A 79 8.126 -13.771 1.320 1.00 0.00 N ATOM 951 CA GLU A 79 8.141 -14.375 2.641 1.00 0.00 C ATOM 952 C GLU A 79 6.810 -14.126 3.353 1.00 0.00 C ATOM 953 O GLU A 79 6.328 -14.982 4.094 1.00 0.00 O ATOM 954 CB GLU A 79 9.314 -13.850 3.471 1.00 0.00 C ATOM 955 CG GLU A 79 8.823 -13.223 4.778 1.00 0.00 C ATOM 956 CD GLU A 79 9.994 -12.672 5.595 1.00 0.00 C ATOM 957 OE1 GLU A 79 11.144 -12.710 5.134 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.675 -12.191 6.749 1.00 0.00 O ATOM 0 H GLU A 79 8.673 -12.914 1.237 1.00 0.00 H new ATOM 0 HA GLU A 79 8.274 -15.451 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.003 -14.666 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.870 -13.110 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.118 -12.421 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.285 -13.968 5.364 1.00 0.00 H new ATOM 966 N GLU A 80 6.253 -12.950 3.104 1.00 0.00 N ATOM 967 CA GLU A 80 4.987 -12.578 3.712 1.00 0.00 C ATOM 968 C GLU A 80 3.869 -13.496 3.214 1.00 0.00 C ATOM 969 O GLU A 80 2.830 -13.622 3.862 1.00 0.00 O ATOM 970 CB GLU A 80 4.656 -11.110 3.434 1.00 0.00 C ATOM 971 CG GLU A 80 3.230 -10.776 3.877 1.00 0.00 C ATOM 972 CD GLU A 80 3.046 -9.266 4.041 1.00 0.00 C ATOM 973 OE1 GLU A 80 2.993 -8.768 5.175 1.00 0.00 O ATOM 974 OE2 GLU A 80 2.958 -8.605 2.937 1.00 0.00 O ATOM 0 H GLU A 80 6.655 -12.242 2.489 1.00 0.00 H new ATOM 0 HA GLU A 80 5.075 -12.698 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.363 -10.468 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.768 -10.904 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.519 -11.155 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.012 -11.277 4.820 1.00 0.00 H new ATOM 982 N LEU A 81 4.119 -14.114 2.069 1.00 0.00 N ATOM 983 CA LEU A 81 3.146 -15.016 1.478 1.00 0.00 C ATOM 984 C LEU A 81 3.301 -16.405 2.100 1.00 0.00 C ATOM 985 O LEU A 81 2.389 -17.227 2.028 1.00 0.00 O ATOM 986 CB LEU A 81 3.266 -15.009 -0.048 1.00 0.00 C ATOM 987 CG LEU A 81 2.326 -14.057 -0.790 1.00 0.00 C ATOM 988 CD1 LEU A 81 1.156 -14.820 -1.416 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.849 -12.930 0.128 1.00 0.00 C ATOM 0 H LEU A 81 4.982 -14.008 1.535 1.00 0.00 H new ATOM 0 HA LEU A 81 2.133 -14.679 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.292 -14.753 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.087 -16.021 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 81 2.883 -13.594 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.503 -14.120 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.538 -15.556 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.593 -15.328 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.182 -12.268 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.316 -13.355 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.709 -12.363 0.485 1.00 0.00 H new ATOM 1001 N GLY A 82 4.463 -16.624 2.698 1.00 0.00 N ATOM 1002 CA GLY A 82 4.750 -17.900 3.332 1.00 0.00 C ATOM 1003 C GLY A 82 4.044 -19.046 2.604 1.00 0.00 C ATOM 1004 O GLY A 82 3.280 -19.794 3.210 1.00 0.00 O ATOM 0 H GLY A 82 5.217 -15.939 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.826 -18.075 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.428 -17.873 4.373 1.00 0.00 H new ATOM 1008 N ALA A 83 4.327 -19.146 1.313 1.00 0.00 N ATOM 1009 CA ALA A 83 3.729 -20.188 0.495 1.00 0.00 C ATOM 1010 C ALA A 83 4.768 -20.707 -0.500 1.00 0.00 C ATOM 1011 O ALA A 83 5.408 -19.925 -1.201 1.00 0.00 O ATOM 1012 CB ALA A 83 2.481 -19.639 -0.199 1.00 0.00 C ATOM 0 H ALA A 83 4.962 -18.523 0.814 1.00 0.00 H new ATOM 0 HA ALA A 83 3.415 -21.029 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.032 -20.420 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.762 -19.310 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.758 -18.795 -0.831 1.00 0.00 H new ATOM 1018 N GLU A 84 4.904 -22.025 -0.532 1.00 0.00 N ATOM 1019 CA GLU A 84 5.854 -22.659 -1.430 1.00 0.00 C ATOM 1020 C GLU A 84 5.210 -23.862 -2.121 1.00 0.00 C ATOM 1021 O GLU A 84 5.908 -24.758 -2.593 1.00 0.00 O ATOM 1022 CB GLU A 84 7.124 -23.070 -0.682 1.00 0.00 C ATOM 1023 CG GLU A 84 6.865 -24.285 0.211 1.00 0.00 C ATOM 1024 CD GLU A 84 8.156 -24.757 0.884 1.00 0.00 C ATOM 1025 OE1 GLU A 84 8.705 -24.046 1.739 1.00 0.00 O ATOM 1026 OE2 GLU A 84 8.588 -25.907 0.490 1.00 0.00 O ATOM 0 H GLU A 84 4.371 -22.671 0.050 1.00 0.00 H new ATOM 0 HA GLU A 84 6.140 -21.937 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.913 -23.302 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.479 -22.237 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.126 -24.031 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.444 -25.095 -0.384 1.00 0.00 H new ATOM 1034 N GLU A 85 3.886 -23.844 -2.158 1.00 0.00 N ATOM 1035 CA GLU A 85 3.140 -24.923 -2.784 1.00 0.00 C ATOM 1036 C GLU A 85 1.650 -24.793 -2.464 1.00 0.00 C ATOM 1037 O GLU A 85 1.271 -24.089 -1.529 1.00 0.00 O ATOM 1038 CB GLU A 85 3.678 -26.287 -2.347 1.00 0.00 C ATOM 1039 CG GLU A 85 4.090 -27.127 -3.557 1.00 0.00 C ATOM 1040 CD GLU A 85 5.075 -26.364 -4.445 1.00 0.00 C ATOM 1041 OE1 GLU A 85 6.294 -26.454 -4.238 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.534 -25.658 -5.379 1.00 0.00 O ATOM 0 H GLU A 85 3.310 -23.099 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 85 3.268 -24.848 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.534 -26.150 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.916 -26.816 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.545 -28.058 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.206 -27.396 -4.136 1.00 0.00 H new ATOM 1050 N CYS A 86 0.844 -25.482 -3.258 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.597 -25.453 -3.071 1.00 0.00 C ATOM 1052 C CYS A 86 -1.019 -26.755 -2.388 1.00 0.00 C ATOM 1053 O CYS A 86 -1.019 -27.815 -3.012 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.334 -25.236 -4.394 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.137 -25.427 -4.143 1.00 0.00 S ATOM 0 H CYS A 86 1.162 -26.064 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.868 -24.608 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.116 -24.241 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.984 -25.953 -5.137 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.587 -26.363 -4.925 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.369 -26.632 -1.116 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.793 -27.787 -0.342 1.00 0.00 C ATOM 1062 C PHE A 87 -3.238 -28.166 -0.670 1.00 0.00 C ATOM 1063 O PHE A 87 -3.616 -29.332 -0.568 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.703 -27.393 1.134 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.306 -26.955 1.577 1.00 0.00 C ATOM 1066 CD1 PHE A 87 0.794 -27.470 0.965 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.164 -26.051 2.583 1.00 0.00 C ATOM 1068 CE1 PHE A 87 2.091 -27.064 1.377 1.00 0.00 C ATOM 1069 CE2 PHE A 87 1.133 -25.645 2.995 1.00 0.00 C ATOM 1070 CZ PHE A 87 2.233 -26.160 2.383 1.00 0.00 C ATOM 0 H PHE A 87 -1.368 -25.751 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.160 -28.644 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.405 -26.582 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.018 -28.239 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.681 -28.188 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.038 -25.642 3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.965 -27.473 0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.246 -24.927 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.219 -25.851 2.696 1.00 0.00 H new ATOM 1080 N SER A 88 -4.007 -27.159 -1.056 1.00 0.00 N ATOM 1081 CA SER A 88 -5.403 -27.372 -1.400 1.00 0.00 C ATOM 1082 C SER A 88 -5.507 -28.253 -2.646 1.00 0.00 C ATOM 1083 O SER A 88 -6.572 -28.792 -2.943 1.00 0.00 O ATOM 1084 CB SER A 88 -6.123 -26.042 -1.629 1.00 0.00 C ATOM 1085 OG SER A 88 -5.454 -25.231 -2.591 1.00 0.00 O ATOM 0 H SER A 88 -3.690 -26.193 -1.138 1.00 0.00 H new ATOM 0 HA SER A 88 -5.887 -27.877 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.142 -26.235 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.194 -25.501 -0.685 1.00 0.00 H new ATOM 0 HG SER A 88 -4.729 -25.745 -3.004 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.386 -28.374 -3.342 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.337 -29.181 -4.549 1.00 0.00 C ATOM 1093 C CYS A 89 -4.737 -30.612 -4.186 1.00 0.00 C ATOM 1094 O CYS A 89 -5.271 -31.342 -5.021 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.960 -29.124 -5.212 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.059 -28.186 -6.781 1.00 0.00 S ATOM 0 H CYS A 89 -3.504 -27.926 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.038 -28.784 -5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.243 -28.651 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.598 -30.134 -5.405 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.884 -28.142 -7.335 1.00 0.00 H new