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 137:sc= 0.177 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -13.3! C(o=-13!,f=-21!) USER MOD Set 1.3: A 37 THR OG1 : rot 69:sc= -0.0331 USER MOD Set 1.4: A 86 CYS SG : rot 21:sc= 0.86 USER MOD Set 1.5: A 88 SER OG : rot -128:sc= -0.417! USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 177:sc= -0.0916 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -3.04! (180deg=-3.22!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00336) USER MOD Single : A 78 CYS SG : rot -40:sc= -1.9! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.171 -1.760 -5.378 1.00 0.00 N ATOM 29 CA ALA A 18 4.446 -1.885 -6.063 1.00 0.00 C ATOM 30 C ALA A 18 5.109 -3.204 -5.661 1.00 0.00 C ATOM 31 O ALA A 18 5.848 -3.797 -6.446 1.00 0.00 O ATOM 32 CB ALA A 18 5.321 -0.672 -5.742 1.00 0.00 C ATOM 0 HA ALA A 18 4.300 -1.904 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.277 -0.767 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.819 0.237 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.491 -0.620 -4.667 1.00 0.00 H new ATOM 38 N VAL A 19 4.820 -3.626 -4.439 1.00 0.00 N ATOM 39 CA VAL A 19 5.378 -4.864 -3.923 1.00 0.00 C ATOM 40 C VAL A 19 4.635 -6.050 -4.540 1.00 0.00 C ATOM 41 O VAL A 19 5.257 -6.976 -5.059 1.00 0.00 O ATOM 42 CB VAL A 19 5.334 -4.861 -2.393 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.552 -3.451 -1.842 1.00 0.00 C ATOM 44 CG2 VAL A 19 4.020 -5.454 -1.882 1.00 0.00 C ATOM 0 H VAL A 19 4.206 -3.132 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 19 6.427 -4.956 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 19 6.147 -5.490 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.516 -3.476 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.525 -3.081 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.770 -2.790 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.014 -5.440 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.184 -4.863 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.924 -6.482 -2.232 1.00 0.00 H new ATOM 54 N TYR A 20 3.313 -5.984 -4.463 1.00 0.00 N ATOM 55 CA TYR A 20 2.478 -7.041 -5.007 1.00 0.00 C ATOM 56 C TYR A 20 2.693 -7.188 -6.515 1.00 0.00 C ATOM 57 O TYR A 20 2.621 -8.293 -7.051 1.00 0.00 O ATOM 58 CB TYR A 20 1.033 -6.611 -4.750 1.00 0.00 C ATOM 59 CG TYR A 20 0.418 -7.220 -3.488 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.235 -7.706 -2.488 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.954 -7.284 -3.350 1.00 0.00 C ATOM 62 CE1 TYR A 20 0.656 -8.279 -1.300 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.532 -7.857 -2.163 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.699 -8.327 -1.196 1.00 0.00 C ATOM 65 OH TYR A 20 -1.245 -8.868 -0.075 1.00 0.00 O ATOM 0 H TYR A 20 2.800 -5.215 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 20 2.719 -7.997 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.996 -5.524 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.423 -6.889 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.308 -7.657 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.594 -6.904 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.284 -8.662 -0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.604 -7.913 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.222 -8.834 -0.138 1.00 0.00 H new ATOM 75 N ILE A 21 2.952 -6.058 -7.156 1.00 0.00 N ATOM 76 CA ILE A 21 3.178 -6.047 -8.592 1.00 0.00 C ATOM 77 C ILE A 21 4.581 -6.582 -8.887 1.00 0.00 C ATOM 78 O ILE A 21 4.772 -7.342 -9.835 1.00 0.00 O ATOM 79 CB ILE A 21 2.919 -4.651 -9.164 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.254 -4.738 -10.539 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.207 -3.826 -9.201 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.955 -5.771 -11.423 1.00 0.00 C ATOM 0 H ILE A 21 3.010 -5.144 -6.708 1.00 0.00 H new ATOM 0 HA ILE A 21 2.472 -6.708 -9.094 1.00 0.00 H new ATOM 0 HB ILE A 21 2.225 -4.133 -8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.204 -5.006 -10.423 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.282 -3.762 -11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.995 -2.839 -9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.601 -3.722 -8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.943 -4.329 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.462 -5.813 -12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.999 -5.487 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.904 -6.751 -10.948 1.00 0.00 H new ATOM 94 N ALA A 22 5.526 -6.164 -8.058 1.00 0.00 N ATOM 95 CA ALA A 22 6.905 -6.592 -8.219 1.00 0.00 C ATOM 96 C ALA A 22 6.997 -8.101 -7.985 1.00 0.00 C ATOM 97 O ALA A 22 7.796 -8.784 -8.624 1.00 0.00 O ATOM 98 CB ALA A 22 7.800 -5.798 -7.265 1.00 0.00 C ATOM 0 H ALA A 22 5.364 -5.533 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 22 7.253 -6.394 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.835 -6.119 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.721 -4.735 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.483 -5.974 -6.237 1.00 0.00 H new ATOM 104 N ILE A 23 6.167 -8.577 -7.068 1.00 0.00 N ATOM 105 CA ILE A 23 6.145 -9.993 -6.742 1.00 0.00 C ATOM 106 C ILE A 23 5.187 -10.715 -7.693 1.00 0.00 C ATOM 107 O ILE A 23 5.316 -11.919 -7.912 1.00 0.00 O ATOM 108 CB ILE A 23 5.813 -10.197 -5.263 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.382 -9.751 -4.955 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.837 -9.494 -4.369 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.399 -10.913 -5.115 1.00 0.00 C ATOM 0 H ILE A 23 5.505 -8.007 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 23 7.132 -10.433 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 23 5.872 -11.263 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.329 -9.363 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.100 -8.937 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.578 -9.655 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.830 -9.900 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.834 -8.425 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.389 -10.569 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.437 -11.283 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.670 -11.716 -4.429 1.00 0.00 H new ATOM 123 N GLU A 24 4.249 -9.950 -8.231 1.00 0.00 N ATOM 124 CA GLU A 24 3.271 -10.502 -9.152 1.00 0.00 C ATOM 125 C GLU A 24 3.707 -10.258 -10.599 1.00 0.00 C ATOM 126 O GLU A 24 3.006 -10.640 -11.535 1.00 0.00 O ATOM 127 CB GLU A 24 1.881 -9.917 -8.892 1.00 0.00 C ATOM 128 CG GLU A 24 0.834 -10.566 -9.800 1.00 0.00 C ATOM 129 CD GLU A 24 -0.580 -10.309 -9.276 1.00 0.00 C ATOM 130 OE1 GLU A 24 -1.532 -10.241 -10.068 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.672 -10.179 -7.996 1.00 0.00 O ATOM 0 H GLU A 24 4.146 -8.952 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 24 3.213 -11.578 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.607 -10.070 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.898 -8.840 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.929 -10.170 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.014 -11.639 -9.860 1.00 0.00 H new ATOM 139 N ALA A 25 4.862 -9.624 -10.736 1.00 0.00 N ATOM 140 CA ALA A 25 5.399 -9.324 -12.052 1.00 0.00 C ATOM 141 C ALA A 25 6.077 -10.574 -12.617 1.00 0.00 C ATOM 142 O ALA A 25 6.671 -10.529 -13.694 1.00 0.00 O ATOM 143 CB ALA A 25 6.357 -8.135 -11.954 1.00 0.00 C ATOM 0 H ALA A 25 5.441 -9.310 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 25 4.600 -9.043 -12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.760 -7.910 -12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.820 -7.266 -11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.174 -8.381 -11.276 1.00 0.00 H new ATOM 149 N GLY A 26 5.967 -11.659 -11.866 1.00 0.00 N ATOM 150 CA GLY A 26 6.562 -12.919 -12.279 1.00 0.00 C ATOM 151 C GLY A 26 7.619 -13.381 -11.274 1.00 0.00 C ATOM 152 O GLY A 26 8.605 -14.012 -11.652 1.00 0.00 O ATOM 0 H GLY A 26 5.475 -11.692 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.786 -13.679 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.016 -12.806 -13.263 1.00 0.00 H new ATOM 156 N THR A 27 7.377 -13.050 -10.015 1.00 0.00 N ATOM 157 CA THR A 27 8.296 -13.423 -8.953 1.00 0.00 C ATOM 158 C THR A 27 7.873 -14.753 -8.325 1.00 0.00 C ATOM 159 O THR A 27 8.693 -15.655 -8.161 1.00 0.00 O ATOM 160 CB THR A 27 8.354 -12.269 -7.950 1.00 0.00 C ATOM 161 OG1 THR A 27 8.427 -11.103 -8.767 1.00 0.00 O ATOM 162 CG2 THR A 27 9.661 -12.249 -7.155 1.00 0.00 C ATOM 0 H THR A 27 6.557 -12.527 -9.706 1.00 0.00 H new ATOM 0 HA THR A 27 9.302 -13.587 -9.340 1.00 0.00 H new ATOM 0 HB THR A 27 7.512 -12.343 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.417 -10.304 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.650 -11.411 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.763 -13.181 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.502 -12.140 -7.840 1.00 0.00 H new ATOM 170 N LEU A 28 6.593 -14.832 -7.990 1.00 0.00 N ATOM 171 CA LEU A 28 6.052 -16.036 -7.383 1.00 0.00 C ATOM 172 C LEU A 28 4.907 -16.567 -8.249 1.00 0.00 C ATOM 173 O LEU A 28 4.519 -15.933 -9.229 1.00 0.00 O ATOM 174 CB LEU A 28 5.653 -15.771 -5.930 1.00 0.00 C ATOM 175 CG LEU A 28 6.309 -14.560 -5.265 1.00 0.00 C ATOM 176 CD1 LEU A 28 5.744 -14.332 -3.861 1.00 0.00 C ATOM 177 CD2 LEU A 28 7.833 -14.699 -5.253 1.00 0.00 C ATOM 0 H LEU A 28 5.916 -14.082 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 28 6.811 -16.817 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.571 -15.642 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.891 -16.657 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 28 6.071 -13.676 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.227 -13.465 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.670 -14.156 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.931 -15.212 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.274 -13.825 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.112 -15.595 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.199 -14.776 -6.277 1.00 0.00 H new ATOM 189 N ALA A 29 4.397 -17.725 -7.854 1.00 0.00 N ATOM 190 CA ALA A 29 3.305 -18.348 -8.581 1.00 0.00 C ATOM 191 C ALA A 29 2.181 -18.697 -7.604 1.00 0.00 C ATOM 192 O ALA A 29 2.440 -19.147 -6.489 1.00 0.00 O ATOM 193 CB ALA A 29 3.825 -19.575 -9.333 1.00 0.00 C ATOM 0 H ALA A 29 4.720 -18.247 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 29 2.897 -17.661 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.005 -20.042 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.600 -19.270 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.241 -20.289 -8.622 1.00 0.00 H new ATOM 199 N GLU A 30 0.956 -18.475 -8.057 1.00 0.00 N ATOM 200 CA GLU A 30 -0.209 -18.760 -7.236 1.00 0.00 C ATOM 201 C GLU A 30 -1.319 -19.379 -8.087 1.00 0.00 C ATOM 202 O GLU A 30 -1.643 -18.869 -9.159 1.00 0.00 O ATOM 203 CB GLU A 30 -0.702 -17.497 -6.526 1.00 0.00 C ATOM 204 CG GLU A 30 -0.794 -16.321 -7.501 1.00 0.00 C ATOM 205 CD GLU A 30 -2.062 -16.412 -8.352 1.00 0.00 C ATOM 206 OE1 GLU A 30 -2.033 -16.074 -9.545 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.104 -16.853 -7.733 1.00 0.00 O ATOM 0 H GLU A 30 0.745 -18.101 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 30 0.078 -19.479 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.680 -17.683 -6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.024 -17.246 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.791 -15.383 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.083 -16.311 -8.148 1.00 0.00 H new ATOM 215 N CYS A 31 -1.873 -20.470 -7.578 1.00 0.00 N ATOM 216 CA CYS A 31 -2.940 -21.165 -8.278 1.00 0.00 C ATOM 217 C CYS A 31 -4.104 -20.190 -8.466 1.00 0.00 C ATOM 218 O CYS A 31 -4.429 -19.424 -7.561 1.00 0.00 O ATOM 219 CB CYS A 31 -3.370 -22.433 -7.538 1.00 0.00 C ATOM 220 SG CYS A 31 -2.815 -23.914 -8.459 1.00 0.00 S ATOM 0 H CYS A 31 -1.603 -20.890 -6.689 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.584 -21.497 -9.253 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.946 -22.439 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.454 -22.449 -7.427 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.328 -24.785 -7.626 1.00 0.00 H new ATOM 225 N GLU A 32 -4.701 -20.252 -9.648 1.00 0.00 N ATOM 226 CA GLU A 32 -5.822 -19.385 -9.966 1.00 0.00 C ATOM 227 C GLU A 32 -7.137 -20.162 -9.874 1.00 0.00 C ATOM 228 O GLU A 32 -8.147 -19.749 -10.442 1.00 0.00 O ATOM 229 CB GLU A 32 -5.653 -18.756 -11.350 1.00 0.00 C ATOM 230 CG GLU A 32 -4.568 -17.677 -11.333 1.00 0.00 C ATOM 231 CD GLU A 32 -5.091 -16.383 -10.706 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.381 -15.367 -10.699 1.00 0.00 O ATOM 233 OE2 GLU A 32 -6.281 -16.458 -10.214 1.00 0.00 O ATOM 0 H GLU A 32 -4.429 -20.889 -10.396 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.849 -18.576 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.392 -19.527 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.599 -18.321 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.704 -18.034 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.229 -17.481 -12.350 1.00 0.00 H new ATOM 241 N VAL A 33 -7.081 -21.273 -9.155 1.00 0.00 N ATOM 242 CA VAL A 33 -8.255 -22.112 -8.982 1.00 0.00 C ATOM 243 C VAL A 33 -8.802 -21.930 -7.564 1.00 0.00 C ATOM 244 O VAL A 33 -10.013 -21.957 -7.354 1.00 0.00 O ATOM 245 CB VAL A 33 -7.912 -23.567 -9.308 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.794 -23.646 -10.350 1.00 0.00 C ATOM 247 CG2 VAL A 33 -7.537 -24.339 -8.041 1.00 0.00 C ATOM 0 H VAL A 33 -6.241 -21.612 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.042 -21.815 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.800 -24.034 -9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.569 -24.691 -10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.114 -23.149 -11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.901 -23.155 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.298 -25.370 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.670 -23.872 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.376 -24.325 -7.345 1.00 0.00 H new ATOM 257 N HIS A 34 -7.881 -21.748 -6.628 1.00 0.00 N ATOM 258 CA HIS A 34 -8.256 -21.562 -5.237 1.00 0.00 C ATOM 259 C HIS A 34 -7.423 -20.432 -4.628 1.00 0.00 C ATOM 260 O HIS A 34 -6.201 -20.538 -4.534 1.00 0.00 O ATOM 261 CB HIS A 34 -8.131 -22.875 -4.460 1.00 0.00 C ATOM 262 CG HIS A 34 -7.122 -23.837 -5.039 1.00 0.00 C ATOM 263 ND1 HIS A 34 -7.464 -25.098 -5.496 1.00 0.00 N ATOM 264 CD2 HIS A 34 -5.777 -23.710 -5.230 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.367 -25.694 -5.939 1.00 0.00 C ATOM 266 NE2 HIS A 34 -5.323 -24.833 -5.773 1.00 0.00 N ATOM 0 H HIS A 34 -6.877 -21.726 -6.806 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.304 -21.269 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.854 -22.651 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.106 -23.362 -4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.183 -22.843 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.310 -26.688 -6.358 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.353 -25.021 -6.025 1.00 0.00 H new ATOM 274 N GLU A 35 -8.118 -19.376 -4.231 1.00 0.00 N ATOM 275 CA GLU A 35 -7.458 -18.228 -3.634 1.00 0.00 C ATOM 276 C GLU A 35 -6.932 -18.582 -2.242 1.00 0.00 C ATOM 277 O GLU A 35 -7.555 -19.356 -1.517 1.00 0.00 O ATOM 278 CB GLU A 35 -8.400 -17.024 -3.574 1.00 0.00 C ATOM 279 CG GLU A 35 -8.356 -16.227 -4.879 1.00 0.00 C ATOM 280 CD GLU A 35 -8.975 -17.024 -6.029 1.00 0.00 C ATOM 281 OE1 GLU A 35 -8.277 -17.814 -6.682 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.229 -16.801 -6.235 1.00 0.00 O ATOM 0 H GLU A 35 -9.131 -19.292 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.610 -17.954 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.418 -17.364 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.120 -16.380 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.893 -15.287 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.323 -15.975 -5.121 1.00 0.00 H new ATOM 290 N GLY A 36 -5.789 -17.998 -1.909 1.00 0.00 N ATOM 291 CA GLY A 36 -5.172 -18.243 -0.617 1.00 0.00 C ATOM 292 C GLY A 36 -3.930 -19.125 -0.760 1.00 0.00 C ATOM 293 O GLY A 36 -2.975 -18.987 0.002 1.00 0.00 O ATOM 0 H GLY A 36 -5.275 -17.356 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.897 -17.294 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.890 -18.725 0.047 1.00 0.00 H new ATOM 297 N THR A 37 -3.985 -20.012 -1.743 1.00 0.00 N ATOM 298 CA THR A 37 -2.876 -20.917 -1.996 1.00 0.00 C ATOM 299 C THR A 37 -1.832 -20.245 -2.890 1.00 0.00 C ATOM 300 O THR A 37 -2.153 -19.778 -3.982 1.00 0.00 O ATOM 301 CB THR A 37 -3.445 -22.207 -2.591 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.723 -21.824 -3.092 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.762 -23.255 -1.522 1.00 0.00 C ATOM 0 H THR A 37 -4.779 -20.123 -2.373 1.00 0.00 H new ATOM 0 HA THR A 37 -2.354 -21.170 -1.073 1.00 0.00 H new ATOM 0 HB THR A 37 -2.734 -22.622 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.608 -21.235 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.163 -24.150 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.851 -23.509 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.498 -22.853 -0.826 1.00 0.00 H new ATOM 311 N TYR A 38 -0.604 -20.216 -2.393 1.00 0.00 N ATOM 312 CA TYR A 38 0.489 -19.609 -3.132 1.00 0.00 C ATOM 313 C TYR A 38 1.761 -20.451 -3.022 1.00 0.00 C ATOM 314 O TYR A 38 1.816 -21.398 -2.239 1.00 0.00 O ATOM 315 CB TYR A 38 0.735 -18.247 -2.479 1.00 0.00 C ATOM 316 CG TYR A 38 -0.140 -17.122 -3.037 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.503 -17.136 -2.821 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.435 -16.093 -3.755 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.326 -16.078 -3.346 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.388 -15.035 -4.280 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.728 -15.079 -4.049 1.00 0.00 C ATOM 322 OH TYR A 38 -2.505 -14.079 -4.545 1.00 0.00 O ATOM 0 H TYR A 38 -0.342 -20.604 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 38 0.237 -19.527 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.559 -18.333 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.783 -17.977 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.952 -17.941 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.502 -16.082 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.394 -16.078 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.049 -14.224 -4.845 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.943 -13.435 -5.024 1.00 0.00 H new ATOM 332 N PHE A 39 2.752 -20.077 -3.818 1.00 0.00 N ATOM 333 CA PHE A 39 4.020 -20.786 -3.819 1.00 0.00 C ATOM 334 C PHE A 39 5.045 -20.075 -4.705 1.00 0.00 C ATOM 335 O PHE A 39 4.859 -19.973 -5.917 1.00 0.00 O ATOM 336 CB PHE A 39 3.751 -22.181 -4.388 1.00 0.00 C ATOM 337 CG PHE A 39 3.505 -22.200 -5.898 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.255 -21.982 -6.386 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.537 -22.435 -6.752 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.027 -21.999 -7.788 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.309 -22.453 -8.154 1.00 0.00 C ATOM 342 CZ PHE A 39 3.059 -22.235 -8.642 1.00 0.00 C ATOM 0 H PHE A 39 2.702 -19.292 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 39 4.423 -20.830 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.600 -22.825 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.884 -22.607 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.435 -21.796 -5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.530 -22.608 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.034 -21.825 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.129 -22.640 -8.832 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.885 -22.249 -9.708 1.00 0.00 H new ATOM 352 N SER A 40 6.104 -19.602 -4.066 1.00 0.00 N ATOM 353 CA SER A 40 7.159 -18.904 -4.781 1.00 0.00 C ATOM 354 C SER A 40 8.227 -19.898 -5.240 1.00 0.00 C ATOM 355 O SER A 40 8.456 -20.915 -4.587 1.00 0.00 O ATOM 356 CB SER A 40 7.787 -17.814 -3.910 1.00 0.00 C ATOM 357 OG SER A 40 8.165 -18.308 -2.628 1.00 0.00 O ATOM 0 H SER A 40 6.255 -19.688 -3.061 1.00 0.00 H new ATOM 0 HA SER A 40 6.719 -18.424 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.663 -17.407 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.079 -16.994 -3.788 1.00 0.00 H new ATOM 0 HG SER A 40 8.563 -17.583 -2.102 1.00 0.00 H new ATOM 363 N ASP A 41 8.854 -19.570 -6.360 1.00 0.00 N ATOM 364 CA ASP A 41 9.893 -20.422 -6.914 1.00 0.00 C ATOM 365 C ASP A 41 10.753 -20.975 -5.776 1.00 0.00 C ATOM 366 O ASP A 41 11.681 -20.312 -5.315 1.00 0.00 O ATOM 367 CB ASP A 41 10.806 -19.635 -7.857 1.00 0.00 C ATOM 368 CG ASP A 41 10.967 -20.239 -9.253 1.00 0.00 C ATOM 369 OD1 ASP A 41 10.420 -19.723 -10.239 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.701 -21.298 -9.308 1.00 0.00 O ATOM 0 H ASP A 41 8.663 -18.726 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 41 9.410 -21.227 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.413 -18.623 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.791 -19.550 -7.398 1.00 0.00 H new ATOM 376 N SER A 42 10.414 -22.185 -5.355 1.00 0.00 N ATOM 377 CA SER A 42 11.143 -22.835 -4.280 1.00 0.00 C ATOM 378 C SER A 42 12.528 -23.262 -4.771 1.00 0.00 C ATOM 379 O SER A 42 12.670 -23.750 -5.891 1.00 0.00 O ATOM 380 CB SER A 42 10.373 -24.045 -3.745 1.00 0.00 C ATOM 381 OG SER A 42 11.075 -24.701 -2.693 1.00 0.00 O ATOM 0 H SER A 42 9.644 -22.732 -5.739 1.00 0.00 H new ATOM 0 HA SER A 42 11.258 -22.122 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.397 -23.723 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.195 -24.750 -4.557 1.00 0.00 H new ATOM 0 HG SER A 42 10.551 -25.466 -2.377 1.00 0.00 H new ATOM 387 N GLY A 43 13.514 -23.063 -3.908 1.00 0.00 N ATOM 388 CA GLY A 43 14.882 -23.421 -4.239 1.00 0.00 C ATOM 389 C GLY A 43 15.737 -22.172 -4.462 1.00 0.00 C ATOM 390 O GLY A 43 16.948 -22.198 -4.247 1.00 0.00 O ATOM 0 H GLY A 43 13.392 -22.658 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.310 -24.020 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.893 -24.039 -5.137 1.00 0.00 H new ATOM 394 N ASP A 44 15.074 -21.109 -4.891 1.00 0.00 N ATOM 395 CA ASP A 44 15.758 -19.852 -5.145 1.00 0.00 C ATOM 396 C ASP A 44 14.834 -18.690 -4.777 1.00 0.00 C ATOM 397 O ASP A 44 14.169 -18.123 -5.643 1.00 0.00 O ATOM 398 CB ASP A 44 16.125 -19.715 -6.624 1.00 0.00 C ATOM 399 CG ASP A 44 16.828 -20.930 -7.232 1.00 0.00 C ATOM 400 OD1 ASP A 44 16.205 -21.747 -7.926 1.00 0.00 O ATOM 401 OD2 ASP A 44 18.086 -21.023 -6.963 1.00 0.00 O ATOM 0 H ASP A 44 14.070 -21.092 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 44 16.667 -19.835 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.215 -19.519 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.769 -18.844 -6.744 1.00 0.00 H new ATOM 407 N ILE A 45 14.822 -18.369 -3.492 1.00 0.00 N ATOM 408 CA ILE A 45 13.990 -17.284 -2.999 1.00 0.00 C ATOM 409 C ILE A 45 14.581 -15.948 -3.452 1.00 0.00 C ATOM 410 O ILE A 45 13.845 -15.030 -3.813 1.00 0.00 O ATOM 411 CB ILE A 45 13.809 -17.394 -1.483 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.691 -18.378 -1.134 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.577 -16.017 -0.858 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.373 -17.644 -0.882 1.00 0.00 C ATOM 0 H ILE A 45 15.375 -18.841 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 45 12.988 -17.350 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 45 14.731 -17.790 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.564 -19.092 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.968 -18.949 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.451 -16.123 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.434 -15.376 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.680 -15.570 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.595 -18.367 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.497 -16.948 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.086 -17.093 -1.778 1.00 0.00 H new ATOM 426 N SER A 46 15.904 -15.880 -3.419 1.00 0.00 N ATOM 427 CA SER A 46 16.602 -14.672 -3.823 1.00 0.00 C ATOM 428 C SER A 46 16.458 -14.463 -5.331 1.00 0.00 C ATOM 429 O SER A 46 16.486 -13.330 -5.811 1.00 0.00 O ATOM 430 CB SER A 46 18.080 -14.733 -3.434 1.00 0.00 C ATOM 431 OG SER A 46 18.654 -16.007 -3.716 1.00 0.00 O ATOM 0 H SER A 46 16.511 -16.643 -3.118 1.00 0.00 H new ATOM 0 HA SER A 46 16.152 -13.827 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.629 -13.961 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.184 -14.515 -2.371 1.00 0.00 H new ATOM 0 HG SER A 46 19.599 -16.005 -3.455 1.00 0.00 H new ATOM 437 N GLU A 47 16.307 -15.573 -6.038 1.00 0.00 N ATOM 438 CA GLU A 47 16.159 -15.527 -7.483 1.00 0.00 C ATOM 439 C GLU A 47 14.940 -14.685 -7.865 1.00 0.00 C ATOM 440 O GLU A 47 14.937 -14.025 -8.903 1.00 0.00 O ATOM 441 CB GLU A 47 16.058 -16.936 -8.070 1.00 0.00 C ATOM 442 CG GLU A 47 15.501 -16.898 -9.494 1.00 0.00 C ATOM 443 CD GLU A 47 15.941 -18.130 -10.288 1.00 0.00 C ATOM 444 OE1 GLU A 47 15.107 -18.988 -10.614 1.00 0.00 O ATOM 445 OE2 GLU A 47 17.199 -18.177 -10.568 1.00 0.00 O ATOM 0 H GLU A 47 16.284 -16.511 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 47 17.048 -15.057 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.042 -17.404 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.415 -17.551 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.412 -16.852 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.844 -15.994 -9.998 1.00 0.00 H new ATOM 453 N ALA A 48 13.933 -14.735 -7.005 1.00 0.00 N ATOM 454 CA ALA A 48 12.711 -13.985 -7.238 1.00 0.00 C ATOM 455 C ALA A 48 13.009 -12.488 -7.137 1.00 0.00 C ATOM 456 O ALA A 48 12.365 -11.677 -7.802 1.00 0.00 O ATOM 457 CB ALA A 48 11.638 -14.435 -6.244 1.00 0.00 C ATOM 0 H ALA A 48 13.939 -15.284 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 48 12.328 -14.177 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.721 -13.872 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.442 -15.499 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.986 -14.255 -5.227 1.00 0.00 H new ATOM 463 N GLU A 49 13.985 -12.166 -6.301 1.00 0.00 N ATOM 464 CA GLU A 49 14.376 -10.781 -6.104 1.00 0.00 C ATOM 465 C GLU A 49 15.170 -10.277 -7.311 1.00 0.00 C ATOM 466 O GLU A 49 14.951 -9.161 -7.780 1.00 0.00 O ATOM 467 CB GLU A 49 15.178 -10.616 -4.812 1.00 0.00 C ATOM 468 CG GLU A 49 14.250 -10.419 -3.612 1.00 0.00 C ATOM 469 CD GLU A 49 13.489 -11.707 -3.291 1.00 0.00 C ATOM 470 OE1 GLU A 49 14.077 -12.657 -2.754 1.00 0.00 O ATOM 471 OE2 GLU A 49 12.241 -11.698 -3.618 1.00 0.00 O ATOM 0 H GLU A 49 14.517 -12.841 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 49 13.472 -10.178 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.803 -11.495 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.848 -9.761 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.833 -10.110 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.542 -9.617 -3.823 1.00 0.00 H new ATOM 479 N GLU A 50 16.075 -11.124 -7.779 1.00 0.00 N ATOM 480 CA GLU A 50 16.902 -10.779 -8.922 1.00 0.00 C ATOM 481 C GLU A 50 16.032 -10.568 -10.163 1.00 0.00 C ATOM 482 O GLU A 50 16.249 -9.628 -10.926 1.00 0.00 O ATOM 483 CB GLU A 50 17.966 -11.850 -9.173 1.00 0.00 C ATOM 484 CG GLU A 50 17.538 -12.794 -10.299 1.00 0.00 C ATOM 485 CD GLU A 50 17.662 -12.112 -11.663 1.00 0.00 C ATOM 486 OE1 GLU A 50 18.437 -11.155 -11.810 1.00 0.00 O ATOM 487 OE2 GLU A 50 16.918 -12.611 -12.591 1.00 0.00 O ATOM 0 H GLU A 50 16.253 -12.049 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 50 17.419 -9.845 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.912 -11.374 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.136 -12.421 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.155 -13.692 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.508 -13.112 -10.140 1.00 0.00 H new ATOM 495 N LEU A 51 15.066 -11.460 -10.327 1.00 0.00 N ATOM 496 CA LEU A 51 14.162 -11.384 -11.462 1.00 0.00 C ATOM 497 C LEU A 51 13.211 -10.200 -11.273 1.00 0.00 C ATOM 498 O LEU A 51 12.808 -9.562 -12.244 1.00 0.00 O ATOM 499 CB LEU A 51 13.447 -12.720 -11.669 1.00 0.00 C ATOM 500 CG LEU A 51 12.633 -13.236 -10.480 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.262 -12.561 -10.420 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.520 -14.762 -10.514 1.00 0.00 C ATOM 0 H LEU A 51 14.890 -12.239 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 51 14.720 -11.202 -12.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.780 -12.624 -12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.192 -13.472 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 51 13.162 -12.973 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.704 -12.946 -9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.391 -11.484 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.712 -12.772 -11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.937 -15.103 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.026 -15.070 -11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.517 -15.202 -10.472 1.00 0.00 H new ATOM 514 N ALA A 52 12.880 -9.944 -10.016 1.00 0.00 N ATOM 515 CA ALA A 52 11.984 -8.848 -9.687 1.00 0.00 C ATOM 516 C ALA A 52 12.708 -7.519 -9.905 1.00 0.00 C ATOM 517 O ALA A 52 12.096 -6.533 -10.312 1.00 0.00 O ATOM 518 CB ALA A 52 11.484 -9.011 -8.250 1.00 0.00 C ATOM 0 H ALA A 52 13.216 -10.476 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 52 11.111 -8.858 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.812 -8.189 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.950 -9.957 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.333 -9.003 -7.566 1.00 0.00 H new ATOM 524 N ARG A 53 14.003 -7.535 -9.625 1.00 0.00 N ATOM 525 CA ARG A 53 14.818 -6.342 -9.785 1.00 0.00 C ATOM 526 C ARG A 53 14.920 -5.964 -11.264 1.00 0.00 C ATOM 527 O ARG A 53 14.783 -4.794 -11.620 1.00 0.00 O ATOM 528 CB ARG A 53 16.225 -6.557 -9.223 1.00 0.00 C ATOM 529 CG ARG A 53 17.241 -5.658 -9.930 1.00 0.00 C ATOM 530 CD ARG A 53 17.840 -6.360 -11.150 1.00 0.00 C ATOM 531 NE ARG A 53 19.258 -5.968 -11.314 1.00 0.00 N ATOM 532 CZ ARG A 53 20.164 -6.691 -11.987 1.00 0.00 C ATOM 533 NH1 ARG A 53 19.805 -7.848 -12.561 1.00 0.00 N ATOM 534 NH2 ARG A 53 21.428 -6.258 -12.084 1.00 0.00 N ATOM 0 H ARG A 53 14.508 -8.355 -9.288 1.00 0.00 H new ATOM 0 HA ARG A 53 14.337 -5.535 -9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.229 -6.346 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.513 -7.601 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.758 -4.731 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.036 -5.386 -9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.764 -7.441 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.276 -6.097 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 53 19.565 -5.093 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.843 -8.178 -12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.494 -8.399 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.701 -5.378 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 53 22.118 -6.808 -12.596 1.00 0.00 H new ATOM 548 N GLU A 54 15.159 -6.975 -12.086 1.00 0.00 N ATOM 549 CA GLU A 54 15.281 -6.764 -13.518 1.00 0.00 C ATOM 550 C GLU A 54 13.898 -6.576 -14.147 1.00 0.00 C ATOM 551 O GLU A 54 13.749 -5.833 -15.115 1.00 0.00 O ATOM 552 CB GLU A 54 16.032 -7.920 -14.182 1.00 0.00 C ATOM 553 CG GLU A 54 17.457 -7.506 -14.554 1.00 0.00 C ATOM 554 CD GLU A 54 17.506 -6.913 -15.964 1.00 0.00 C ATOM 555 OE1 GLU A 54 16.642 -6.100 -16.325 1.00 0.00 O ATOM 556 OE2 GLU A 54 18.485 -7.325 -16.695 1.00 0.00 O ATOM 0 H GLU A 54 15.272 -7.944 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 54 15.861 -5.856 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.062 -8.775 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.497 -8.240 -15.076 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.826 -6.775 -13.835 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.118 -8.371 -14.496 1.00 0.00 H new ATOM 564 N LYS A 55 12.923 -7.262 -13.569 1.00 0.00 N ATOM 565 CA LYS A 55 11.558 -7.180 -14.060 1.00 0.00 C ATOM 566 C LYS A 55 11.063 -5.737 -13.941 1.00 0.00 C ATOM 567 O LYS A 55 10.613 -5.148 -14.922 1.00 0.00 O ATOM 568 CB LYS A 55 10.668 -8.196 -13.342 1.00 0.00 C ATOM 569 CG LYS A 55 10.665 -9.538 -14.077 1.00 0.00 C ATOM 570 CD LYS A 55 10.199 -9.368 -15.525 1.00 0.00 C ATOM 571 CE LYS A 55 9.111 -8.298 -15.629 1.00 0.00 C ATOM 572 NZ LYS A 55 7.905 -8.708 -14.875 1.00 0.00 N ATOM 0 H LYS A 55 13.051 -7.877 -12.765 1.00 0.00 H new ATOM 0 HA LYS A 55 11.517 -7.445 -15.116 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.022 -8.337 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.650 -7.811 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.667 -9.968 -14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.009 -10.239 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.046 -9.093 -16.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.818 -10.317 -15.902 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.486 -7.351 -15.240 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.854 -8.133 -16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.132 -8.039 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.618 -9.663 -15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.117 -8.711 -13.857 1.00 0.00 H new ATOM 586 N PHE A 56 11.164 -5.209 -12.730 1.00 0.00 N ATOM 587 CA PHE A 56 10.732 -3.846 -12.469 1.00 0.00 C ATOM 588 C PHE A 56 11.691 -2.836 -13.104 1.00 0.00 C ATOM 589 O PHE A 56 11.261 -1.805 -13.619 1.00 0.00 O ATOM 590 CB PHE A 56 10.743 -3.656 -10.951 1.00 0.00 C ATOM 591 CG PHE A 56 11.995 -2.956 -10.420 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.259 -1.670 -10.777 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.845 -3.619 -9.591 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.421 -1.020 -10.284 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.008 -2.969 -9.098 1.00 0.00 C ATOM 596 CZ PHE A 56 14.271 -1.684 -9.455 1.00 0.00 C ATOM 0 H PHE A 56 11.539 -5.700 -11.918 1.00 0.00 H new ATOM 0 HA PHE A 56 9.741 -3.682 -12.892 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.866 -3.078 -10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.654 -4.631 -10.473 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.584 -1.143 -11.436 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.636 -4.640 -9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.630 0.001 -10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.683 -3.496 -8.440 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.155 -1.190 -9.080 1.00 0.00 H new ATOM 606 N GLU A 57 12.972 -3.169 -13.047 1.00 0.00 N ATOM 607 CA GLU A 57 13.995 -2.304 -13.610 1.00 0.00 C ATOM 608 C GLU A 57 13.689 -2.006 -15.079 1.00 0.00 C ATOM 609 O GLU A 57 13.902 -0.889 -15.548 1.00 0.00 O ATOM 610 CB GLU A 57 15.385 -2.926 -13.455 1.00 0.00 C ATOM 611 CG GLU A 57 15.992 -2.578 -12.095 1.00 0.00 C ATOM 612 CD GLU A 57 16.550 -1.153 -12.091 1.00 0.00 C ATOM 613 OE1 GLU A 57 17.480 -0.849 -12.853 1.00 0.00 O ATOM 614 OE2 GLU A 57 15.981 -0.347 -11.260 1.00 0.00 O ATOM 0 H GLU A 57 13.325 -4.025 -12.620 1.00 0.00 H new ATOM 0 HA GLU A 57 13.990 -1.363 -13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.317 -4.009 -13.561 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.038 -2.569 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.234 -2.677 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.787 -3.284 -11.856 1.00 0.00 H new ATOM 622 N LYS A 58 13.193 -3.025 -15.766 1.00 0.00 N ATOM 623 CA LYS A 58 12.856 -2.887 -17.172 1.00 0.00 C ATOM 624 C LYS A 58 11.357 -3.132 -17.359 1.00 0.00 C ATOM 625 O LYS A 58 10.902 -3.400 -18.470 1.00 0.00 O ATOM 626 CB LYS A 58 13.739 -3.797 -18.028 1.00 0.00 C ATOM 627 CG LYS A 58 13.907 -3.229 -19.439 1.00 0.00 C ATOM 628 CD LYS A 58 14.704 -1.924 -19.413 1.00 0.00 C ATOM 629 CE LYS A 58 15.437 -1.703 -20.738 1.00 0.00 C ATOM 630 NZ LYS A 58 15.959 -0.320 -20.818 1.00 0.00 N ATOM 0 H LYS A 58 13.017 -3.950 -15.374 1.00 0.00 H new ATOM 0 HA LYS A 58 13.059 -1.872 -17.514 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.716 -3.908 -17.558 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.297 -4.792 -18.083 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.416 -3.958 -20.070 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.927 -3.052 -19.883 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.032 -1.087 -19.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.424 -1.949 -18.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.258 -2.414 -20.829 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.759 -1.891 -21.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.453 -0.187 -21.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.169 0.353 -20.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.622 -0.153 -20.034 1.00 0.00 H new ATOM 754 N VAL A 67 16.624 -0.504 -6.152 1.00 0.00 N ATOM 755 CA VAL A 67 16.677 -1.897 -6.561 1.00 0.00 C ATOM 756 C VAL A 67 16.746 -2.787 -5.318 1.00 0.00 C ATOM 757 O VAL A 67 16.077 -3.817 -5.251 1.00 0.00 O ATOM 758 CB VAL A 67 17.850 -2.117 -7.519 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.069 -1.296 -7.091 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.200 -3.603 -7.626 1.00 0.00 C ATOM 0 HA VAL A 67 15.773 -2.169 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 67 17.544 -1.773 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.888 -1.471 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.812 -0.237 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.376 -1.595 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 67 19.037 -3.731 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.476 -3.983 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.337 -4.154 -7.999 1.00 0.00 H new ATOM 770 N GLU A 68 17.560 -2.357 -4.366 1.00 0.00 N ATOM 771 CA GLU A 68 17.724 -3.101 -3.129 1.00 0.00 C ATOM 772 C GLU A 68 16.458 -2.999 -2.275 1.00 0.00 C ATOM 773 O GLU A 68 16.148 -3.908 -1.507 1.00 0.00 O ATOM 774 CB GLU A 68 18.949 -2.613 -2.354 1.00 0.00 C ATOM 775 CG GLU A 68 18.538 -1.699 -1.198 1.00 0.00 C ATOM 776 CD GLU A 68 19.767 -1.125 -0.489 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.342 -1.787 0.388 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.121 0.052 -0.879 1.00 0.00 O ATOM 0 H GLU A 68 18.113 -1.502 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 68 17.887 -4.150 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.503 -3.468 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.619 -2.077 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.919 -0.885 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.931 -2.258 -0.486 1.00 0.00 H new ATOM 786 N GLU A 69 15.762 -1.884 -2.439 1.00 0.00 N ATOM 787 CA GLU A 69 14.537 -1.650 -1.693 1.00 0.00 C ATOM 788 C GLU A 69 13.408 -2.527 -2.238 1.00 0.00 C ATOM 789 O GLU A 69 12.714 -3.198 -1.476 1.00 0.00 O ATOM 790 CB GLU A 69 14.148 -0.171 -1.726 1.00 0.00 C ATOM 791 CG GLU A 69 12.918 0.092 -0.855 1.00 0.00 C ATOM 792 CD GLU A 69 12.646 1.593 -0.730 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.292 2.275 0.078 1.00 0.00 O ATOM 794 OE2 GLU A 69 11.725 2.046 -1.512 1.00 0.00 O ATOM 0 H GLU A 69 16.023 -1.133 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 69 14.711 -1.922 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.983 0.436 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.942 0.132 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.049 -0.404 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.070 -0.337 0.135 1.00 0.00 H new ATOM 802 N LEU A 70 13.259 -2.493 -3.554 1.00 0.00 N ATOM 803 CA LEU A 70 12.226 -3.277 -4.211 1.00 0.00 C ATOM 804 C LEU A 70 12.465 -4.762 -3.934 1.00 0.00 C ATOM 805 O LEU A 70 11.578 -5.456 -3.438 1.00 0.00 O ATOM 806 CB LEU A 70 12.158 -2.932 -5.700 1.00 0.00 C ATOM 807 CG LEU A 70 10.758 -2.898 -6.317 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.833 -2.837 -7.844 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.915 -4.079 -5.830 1.00 0.00 C ATOM 0 H LEU A 70 13.836 -1.935 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 70 11.245 -3.031 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.623 -1.957 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.758 -3.658 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 70 10.259 -1.988 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.825 -2.814 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.370 -1.938 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.358 -3.716 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.925 -4.031 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.399 -5.013 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.820 -4.035 -4.745 1.00 0.00 H new ATOM 821 N VAL A 71 13.668 -5.207 -4.266 1.00 0.00 N ATOM 822 CA VAL A 71 14.035 -6.598 -4.059 1.00 0.00 C ATOM 823 C VAL A 71 13.691 -7.004 -2.625 1.00 0.00 C ATOM 824 O VAL A 71 13.044 -8.026 -2.404 1.00 0.00 O ATOM 825 CB VAL A 71 15.512 -6.806 -4.402 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.792 -6.446 -5.862 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.412 -6.005 -3.458 1.00 0.00 C ATOM 0 H VAL A 71 14.401 -4.629 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 71 13.466 -7.246 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 71 15.741 -7.863 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.849 -6.603 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.190 -7.078 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.538 -5.400 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.456 -6.170 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.179 -4.944 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.243 -6.330 -2.431 1.00 0.00 H new ATOM 837 N LYS A 72 14.140 -6.182 -1.688 1.00 0.00 N ATOM 838 CA LYS A 72 13.887 -6.442 -0.280 1.00 0.00 C ATOM 839 C LYS A 72 12.378 -6.530 -0.045 1.00 0.00 C ATOM 840 O LYS A 72 11.922 -7.294 0.804 1.00 0.00 O ATOM 841 CB LYS A 72 14.587 -5.398 0.592 1.00 0.00 C ATOM 842 CG LYS A 72 13.974 -5.355 1.993 1.00 0.00 C ATOM 843 CD LYS A 72 14.334 -6.611 2.788 1.00 0.00 C ATOM 844 CE LYS A 72 14.230 -6.356 4.293 1.00 0.00 C ATOM 845 NZ LYS A 72 14.947 -7.408 5.048 1.00 0.00 N ATOM 0 H LYS A 72 14.677 -5.336 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 72 14.311 -7.403 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.649 -5.631 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.507 -4.416 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.330 -4.471 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.890 -5.267 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.668 -7.427 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.347 -6.926 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.649 -5.379 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.182 -6.335 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.866 -7.220 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.529 -8.336 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.950 -7.409 4.774 1.00 0.00 H new ATOM 859 N LYS A 73 11.645 -5.735 -0.812 1.00 0.00 N ATOM 860 CA LYS A 73 10.197 -5.713 -0.697 1.00 0.00 C ATOM 861 C LYS A 73 9.617 -6.962 -1.365 1.00 0.00 C ATOM 862 O LYS A 73 8.557 -7.445 -0.972 1.00 0.00 O ATOM 863 CB LYS A 73 9.635 -4.403 -1.252 1.00 0.00 C ATOM 864 CG LYS A 73 9.811 -3.262 -0.247 1.00 0.00 C ATOM 865 CD LYS A 73 8.750 -2.180 -0.456 1.00 0.00 C ATOM 866 CE LYS A 73 8.587 -1.323 0.801 1.00 0.00 C ATOM 867 NZ LYS A 73 9.798 -0.504 1.031 1.00 0.00 N ATOM 0 H LYS A 73 12.027 -5.102 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 73 9.898 -5.743 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.140 -4.152 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.578 -4.527 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.742 -3.653 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.805 -2.828 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.031 -1.547 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.797 -2.644 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.717 -0.675 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.405 -1.964 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.657 0.096 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.615 -1.128 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.974 0.096 0.200 1.00 0.00 H new ATOM 881 N VAL A 74 10.339 -7.449 -2.364 1.00 0.00 N ATOM 882 CA VAL A 74 9.910 -8.632 -3.090 1.00 0.00 C ATOM 883 C VAL A 74 10.104 -9.866 -2.206 1.00 0.00 C ATOM 884 O VAL A 74 9.214 -10.708 -2.107 1.00 0.00 O ATOM 885 CB VAL A 74 10.657 -8.727 -4.422 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.320 -10.032 -5.147 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.356 -7.516 -5.307 1.00 0.00 C ATOM 0 H VAL A 74 11.218 -7.046 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 74 8.849 -8.569 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 74 11.726 -8.728 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.864 -10.075 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.607 -10.879 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.249 -10.073 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.899 -7.609 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.286 -7.470 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.668 -6.605 -4.796 1.00 0.00 H new ATOM 897 N VAL A 75 11.273 -9.932 -1.587 1.00 0.00 N ATOM 898 CA VAL A 75 11.595 -11.049 -0.715 1.00 0.00 C ATOM 899 C VAL A 75 10.689 -11.006 0.518 1.00 0.00 C ATOM 900 O VAL A 75 10.286 -12.047 1.034 1.00 0.00 O ATOM 901 CB VAL A 75 13.084 -11.027 -0.363 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.337 -10.198 0.898 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.632 -12.446 -0.206 1.00 0.00 C ATOM 0 H VAL A 75 12.009 -9.231 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 75 11.409 -11.995 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 75 13.616 -10.553 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.403 -10.199 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.002 -9.174 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.787 -10.630 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.692 -12.401 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.093 -12.958 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.503 -12.992 -1.141 1.00 0.00 H new ATOM 913 N ALA A 76 10.396 -9.790 0.954 1.00 0.00 N ATOM 914 CA ALA A 76 9.545 -9.597 2.117 1.00 0.00 C ATOM 915 C ALA A 76 8.134 -10.093 1.798 1.00 0.00 C ATOM 916 O ALA A 76 7.513 -10.774 2.613 1.00 0.00 O ATOM 917 CB ALA A 76 9.566 -8.122 2.526 1.00 0.00 C ATOM 0 H ALA A 76 10.732 -8.929 0.524 1.00 0.00 H new ATOM 0 HA ALA A 76 9.915 -10.175 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.928 -7.977 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.586 -7.827 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.198 -7.511 1.702 1.00 0.00 H new ATOM 923 N VAL A 77 7.668 -9.734 0.611 1.00 0.00 N ATOM 924 CA VAL A 77 6.341 -10.134 0.175 1.00 0.00 C ATOM 925 C VAL A 77 6.302 -11.655 0.005 1.00 0.00 C ATOM 926 O VAL A 77 5.390 -12.315 0.500 1.00 0.00 O ATOM 927 CB VAL A 77 5.960 -9.380 -1.101 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.573 -9.801 -1.592 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.029 -7.867 -0.885 1.00 0.00 C ATOM 0 H VAL A 77 8.186 -9.170 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 77 5.596 -9.871 0.926 1.00 0.00 H new ATOM 0 HB VAL A 77 6.683 -9.641 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.326 -9.251 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.571 -10.870 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.833 -9.582 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.754 -7.355 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.339 -7.581 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.044 -7.586 -0.603 1.00 0.00 H new ATOM 939 N CYS A 78 7.303 -12.165 -0.697 1.00 0.00 N ATOM 940 CA CYS A 78 7.395 -13.595 -0.938 1.00 0.00 C ATOM 941 C CYS A 78 7.457 -14.308 0.415 1.00 0.00 C ATOM 942 O CYS A 78 6.839 -15.355 0.598 1.00 0.00 O ATOM 943 CB CYS A 78 8.594 -13.944 -1.823 1.00 0.00 C ATOM 944 SG CYS A 78 10.091 -14.158 -0.792 1.00 0.00 S ATOM 0 H CYS A 78 8.057 -11.614 -1.107 1.00 0.00 H new ATOM 0 HA CYS A 78 6.514 -13.931 -1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.392 -14.859 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.757 -13.154 -2.556 1.00 0.00 H new ATOM 0 HG CYS A 78 10.112 -13.248 0.136 1.00 0.00 H new ATOM 950 N GLU A 79 8.210 -13.711 1.327 1.00 0.00 N ATOM 951 CA GLU A 79 8.361 -14.276 2.658 1.00 0.00 C ATOM 952 C GLU A 79 7.090 -14.048 3.478 1.00 0.00 C ATOM 953 O GLU A 79 6.772 -14.836 4.368 1.00 0.00 O ATOM 954 CB GLU A 79 9.584 -13.689 3.366 1.00 0.00 C ATOM 955 CG GLU A 79 9.948 -14.513 4.603 1.00 0.00 C ATOM 956 CD GLU A 79 10.384 -15.926 4.212 1.00 0.00 C ATOM 957 OE1 GLU A 79 9.692 -16.902 4.538 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.486 -15.991 3.544 1.00 0.00 O ATOM 0 H GLU A 79 8.722 -12.843 1.171 1.00 0.00 H new ATOM 0 HA GLU A 79 8.519 -15.350 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.430 -13.665 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.380 -12.659 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.751 -14.019 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.091 -14.566 5.274 1.00 0.00 H new ATOM 966 N GLU A 80 6.397 -12.968 3.150 1.00 0.00 N ATOM 967 CA GLU A 80 5.168 -12.627 3.846 1.00 0.00 C ATOM 968 C GLU A 80 4.024 -13.527 3.374 1.00 0.00 C ATOM 969 O GLU A 80 3.021 -13.677 4.070 1.00 0.00 O ATOM 970 CB GLU A 80 4.820 -11.150 3.651 1.00 0.00 C ATOM 971 CG GLU A 80 3.463 -10.819 4.277 1.00 0.00 C ATOM 972 CD GLU A 80 3.274 -9.306 4.409 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.957 -8.665 5.222 1.00 0.00 O ATOM 974 OE2 GLU A 80 2.382 -8.798 3.629 1.00 0.00 O ATOM 0 H GLU A 80 6.663 -12.317 2.411 1.00 0.00 H new ATOM 0 HA GLU A 80 5.319 -12.793 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.594 -10.528 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.801 -10.915 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.664 -11.237 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.388 -11.285 5.259 1.00 0.00 H new ATOM 982 N LEU A 81 4.214 -14.102 2.196 1.00 0.00 N ATOM 983 CA LEU A 81 3.210 -14.984 1.624 1.00 0.00 C ATOM 984 C LEU A 81 3.393 -16.393 2.189 1.00 0.00 C ATOM 985 O LEU A 81 2.484 -17.218 2.117 1.00 0.00 O ATOM 986 CB LEU A 81 3.254 -14.924 0.096 1.00 0.00 C ATOM 987 CG LEU A 81 2.460 -13.788 -0.554 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.438 -13.936 -2.077 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.051 -13.698 0.034 1.00 0.00 C ATOM 0 H LEU A 81 5.047 -13.975 1.622 1.00 0.00 H new ATOM 0 HA LEU A 81 2.209 -14.655 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.295 -14.837 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.883 -15.871 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 81 2.963 -12.847 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.868 -13.116 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.458 -13.912 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.972 -14.885 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.508 -12.883 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.524 -14.636 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.115 -13.510 1.106 1.00 0.00 H new ATOM 1001 N GLY A 82 4.576 -16.626 2.740 1.00 0.00 N ATOM 1002 CA GLY A 82 4.890 -17.922 3.318 1.00 0.00 C ATOM 1003 C GLY A 82 4.192 -19.048 2.552 1.00 0.00 C ATOM 1004 O GLY A 82 3.585 -19.931 3.156 1.00 0.00 O ATOM 0 H GLY A 82 5.328 -15.939 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.968 -18.080 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.581 -17.942 4.363 1.00 0.00 H new ATOM 1008 N ALA A 83 4.301 -18.979 1.234 1.00 0.00 N ATOM 1009 CA ALA A 83 3.688 -19.981 0.379 1.00 0.00 C ATOM 1010 C ALA A 83 4.758 -20.598 -0.525 1.00 0.00 C ATOM 1011 O ALA A 83 5.567 -19.881 -1.113 1.00 0.00 O ATOM 1012 CB ALA A 83 2.548 -19.345 -0.418 1.00 0.00 C ATOM 0 H ALA A 83 4.805 -18.245 0.737 1.00 0.00 H new ATOM 0 HA ALA A 83 3.258 -20.784 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.089 -20.097 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.801 -18.948 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.941 -18.535 -1.033 1.00 0.00 H new ATOM 1018 N GLU A 84 4.727 -21.920 -0.608 1.00 0.00 N ATOM 1019 CA GLU A 84 5.684 -22.640 -1.430 1.00 0.00 C ATOM 1020 C GLU A 84 5.015 -23.849 -2.088 1.00 0.00 C ATOM 1021 O GLU A 84 5.695 -24.759 -2.560 1.00 0.00 O ATOM 1022 CB GLU A 84 6.902 -23.068 -0.608 1.00 0.00 C ATOM 1023 CG GLU A 84 7.980 -21.982 -0.619 1.00 0.00 C ATOM 1024 CD GLU A 84 7.753 -20.973 0.508 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.718 -19.759 0.256 1.00 0.00 O ATOM 1026 OE2 GLU A 84 7.609 -21.489 1.681 1.00 0.00 O ATOM 0 H GLU A 84 4.054 -22.511 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 84 6.034 -21.970 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.598 -23.274 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.310 -23.995 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.963 -22.440 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.973 -21.467 -1.580 1.00 0.00 H new ATOM 1034 N GLU A 85 3.690 -23.818 -2.098 1.00 0.00 N ATOM 1035 CA GLU A 85 2.922 -24.900 -2.690 1.00 0.00 C ATOM 1036 C GLU A 85 1.471 -24.846 -2.208 1.00 0.00 C ATOM 1037 O GLU A 85 1.198 -24.384 -1.101 1.00 0.00 O ATOM 1038 CB GLU A 85 3.554 -26.257 -2.377 1.00 0.00 C ATOM 1039 CG GLU A 85 3.873 -26.383 -0.886 1.00 0.00 C ATOM 1040 CD GLU A 85 2.620 -26.744 -0.086 1.00 0.00 C ATOM 1041 OE1 GLU A 85 1.642 -27.248 -0.658 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.685 -26.483 1.176 1.00 0.00 O ATOM 0 H GLU A 85 3.130 -23.061 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 85 2.930 -24.775 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.875 -27.056 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.467 -26.380 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.636 -27.147 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.286 -25.444 -0.518 1.00 0.00 H new ATOM 1050 N CYS A 86 0.578 -25.326 -3.061 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.837 -25.338 -2.736 1.00 0.00 C ATOM 1052 C CYS A 86 -1.252 -26.783 -2.450 1.00 0.00 C ATOM 1053 O CYS A 86 -0.996 -27.677 -3.255 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.680 -24.713 -3.849 1.00 0.00 C ATOM 1055 SG CYS A 86 -1.628 -25.770 -5.342 1.00 0.00 S ATOM 0 H CYS A 86 0.808 -25.710 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.013 -24.727 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.710 -24.594 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.305 -23.717 -4.085 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.292 -26.980 -5.006 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.886 -26.967 -1.301 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.338 -28.288 -0.899 1.00 0.00 C ATOM 1062 C PHE A 87 -3.743 -28.573 -1.435 1.00 0.00 C ATOM 1063 O PHE A 87 -4.224 -29.702 -1.354 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.377 -28.301 0.631 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.255 -29.698 1.244 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -1.028 -30.233 1.479 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.376 -30.404 1.554 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -0.915 -31.529 2.049 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.263 -31.700 2.123 1.00 0.00 C ATOM 1070 CZ PHE A 87 -2.036 -32.235 2.359 1.00 0.00 C ATOM 0 H PHE A 87 -2.097 -26.223 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.665 -29.048 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.568 -27.677 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.311 -27.849 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.138 -29.672 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.351 -29.979 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.060 -31.954 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.153 -32.261 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.951 -33.220 2.793 1.00 0.00 H new ATOM 1080 N SER A 88 -4.360 -27.530 -1.970 1.00 0.00 N ATOM 1081 CA SER A 88 -5.699 -27.654 -2.520 1.00 0.00 C ATOM 1082 C SER A 88 -5.688 -28.609 -3.715 1.00 0.00 C ATOM 1083 O SER A 88 -6.595 -29.426 -3.870 1.00 0.00 O ATOM 1084 CB SER A 88 -6.253 -26.290 -2.935 1.00 0.00 C ATOM 1085 OG SER A 88 -7.610 -26.372 -3.361 1.00 0.00 O ATOM 0 H SER A 88 -3.957 -26.595 -2.034 1.00 0.00 H new ATOM 0 HA SER A 88 -6.350 -28.059 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.178 -25.598 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.644 -25.881 -3.741 1.00 0.00 H new ATOM 0 HG SER A 88 -7.704 -25.943 -4.237 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.652 -28.475 -4.530 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.511 -29.316 -5.706 1.00 0.00 C ATOM 1093 C CYS A 89 -4.421 -30.773 -5.248 1.00 0.00 C ATOM 1094 O CYS A 89 -4.604 -31.691 -6.045 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.303 -28.908 -6.552 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.810 -27.689 -7.820 1.00 0.00 S ATOM 0 H CYS A 89 -3.902 -27.796 -4.399 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.381 -29.192 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.529 -28.481 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.871 -29.786 -7.032 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.777 -27.347 -8.531 1.00 0.00 H new