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 40 SER OG : rot 179:sc= 0.561 USER MOD Set 1.2: A 78 CYS SG : rot 180:sc= -4.96! USER MOD Set 2.1: A 31 CYS SG : rot 146:sc= -7.69! USER MOD Set 2.2: A 34 HIS : no HD1:sc= -25.2! C(o=-39!,f=-37!) USER MOD Set 2.3: A 37 THR OG1 : rot 76:sc= -0.667 USER MOD Set 2.4: A 86 CYS SG : rot -108:sc= -5.49 USER MOD Set 2.5: A 88 SER OG : rot 180:sc= -0.115 USER MOD Set 2.6: A 89 CYS SG : rot 180:sc= 0.264 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 58:sc= -4.11! USER MOD Single : A 38 TYR OH : 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 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= -0.263 (180deg=-0.301) 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+ 161:sc= -0.0701 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.127 -1.451 -5.246 1.00 0.00 N ATOM 29 CA ALA A 18 4.209 -1.553 -6.211 1.00 0.00 C ATOM 30 C ALA A 18 4.924 -2.893 -6.029 1.00 0.00 C ATOM 31 O ALA A 18 5.106 -3.639 -6.990 1.00 0.00 O ATOM 32 CB ALA A 18 5.153 -0.361 -6.047 1.00 0.00 C ATOM 0 HA ALA A 18 3.820 -1.523 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.965 -0.437 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.603 0.565 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.565 -0.360 -5.038 1.00 0.00 H new ATOM 38 N VAL A 19 5.310 -3.158 -4.789 1.00 0.00 N ATOM 39 CA VAL A 19 6.001 -4.396 -4.469 1.00 0.00 C ATOM 40 C VAL A 19 5.163 -5.582 -4.949 1.00 0.00 C ATOM 41 O VAL A 19 5.637 -6.407 -5.729 1.00 0.00 O ATOM 42 CB VAL A 19 6.311 -4.449 -2.972 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.046 -4.226 -2.142 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.986 -5.771 -2.599 1.00 0.00 C ATOM 0 H VAL A 19 5.157 -2.537 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 19 6.958 -4.445 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 19 7.007 -3.641 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.294 -4.269 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.624 -3.249 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.316 -5.002 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.196 -5.783 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.324 -6.600 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.919 -5.872 -3.153 1.00 0.00 H new ATOM 54 N TYR A 20 3.931 -5.630 -4.464 1.00 0.00 N ATOM 55 CA TYR A 20 3.022 -6.702 -4.833 1.00 0.00 C ATOM 56 C TYR A 20 2.986 -6.892 -6.351 1.00 0.00 C ATOM 57 O TYR A 20 2.789 -8.004 -6.837 1.00 0.00 O ATOM 58 CB TYR A 20 1.637 -6.264 -4.353 1.00 0.00 C ATOM 59 CG TYR A 20 1.258 -6.802 -2.972 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.577 -8.100 -2.625 1.00 0.00 C ATOM 61 CD2 TYR A 20 0.599 -5.990 -2.072 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.221 -8.606 -1.325 1.00 0.00 C ATOM 63 CE2 TYR A 20 0.243 -6.496 -0.772 1.00 0.00 C ATOM 64 CZ TYR A 20 0.571 -7.779 -0.463 1.00 0.00 C ATOM 65 OH TYR A 20 0.235 -8.257 0.765 1.00 0.00 O ATOM 0 H TYR A 20 3.541 -4.943 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 20 3.340 -7.645 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.599 -5.175 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.892 -6.594 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.094 -8.736 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.350 -4.975 -2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.465 -9.619 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.273 -5.871 -0.058 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.223 -7.556 1.275 1.00 0.00 H new ATOM 75 N ILE A 21 3.181 -5.788 -7.058 1.00 0.00 N ATOM 76 CA ILE A 21 3.174 -5.819 -8.511 1.00 0.00 C ATOM 77 C ILE A 21 4.487 -6.424 -9.010 1.00 0.00 C ATOM 78 O ILE A 21 4.514 -7.090 -10.044 1.00 0.00 O ATOM 79 CB ILE A 21 2.885 -4.426 -9.074 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.410 -4.284 -9.456 1.00 0.00 C ATOM 81 CG2 ILE A 21 3.813 -4.106 -10.247 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.072 -5.152 -10.671 1.00 0.00 C ATOM 0 H ILE A 21 3.345 -4.867 -6.652 1.00 0.00 H new ATOM 0 HA ILE A 21 2.370 -6.458 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 21 3.088 -3.693 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.783 -4.573 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.187 -3.240 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.587 -3.110 -10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.849 -4.139 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.665 -4.840 -11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.018 -5.033 -10.922 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.684 -4.845 -11.519 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.273 -6.198 -10.438 1.00 0.00 H new ATOM 94 N ALA A 22 5.544 -6.170 -8.253 1.00 0.00 N ATOM 95 CA ALA A 22 6.858 -6.682 -8.606 1.00 0.00 C ATOM 96 C ALA A 22 6.884 -8.197 -8.392 1.00 0.00 C ATOM 97 O ALA A 22 7.364 -8.940 -9.248 1.00 0.00 O ATOM 98 CB ALA A 22 7.926 -5.958 -7.784 1.00 0.00 C ATOM 0 H ALA A 22 5.518 -5.617 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 22 7.074 -6.494 -9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.911 -6.342 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.885 -4.889 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.744 -6.126 -6.723 1.00 0.00 H new ATOM 104 N ILE A 23 6.364 -8.610 -7.246 1.00 0.00 N ATOM 105 CA ILE A 23 6.322 -10.023 -6.909 1.00 0.00 C ATOM 106 C ILE A 23 5.332 -10.734 -7.834 1.00 0.00 C ATOM 107 O ILE A 23 5.528 -11.898 -8.181 1.00 0.00 O ATOM 108 CB ILE A 23 6.017 -10.210 -5.422 1.00 0.00 C ATOM 109 CG1 ILE A 23 5.369 -11.571 -5.162 1.00 0.00 C ATOM 110 CG2 ILE A 23 5.164 -9.058 -4.888 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.870 -11.423 -4.893 1.00 0.00 C ATOM 0 H ILE A 23 5.968 -7.991 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 23 7.297 -10.483 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 23 6.960 -10.193 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.525 -12.222 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.850 -12.049 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.962 -9.216 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.699 -8.118 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.222 -9.019 -5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.434 -12.405 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.718 -10.791 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.388 -10.967 -5.758 1.00 0.00 H new ATOM 123 N GLU A 24 4.291 -10.005 -8.207 1.00 0.00 N ATOM 124 CA GLU A 24 3.270 -10.552 -9.085 1.00 0.00 C ATOM 125 C GLU A 24 3.678 -10.373 -10.549 1.00 0.00 C ATOM 126 O GLU A 24 3.097 -10.993 -11.439 1.00 0.00 O ATOM 127 CB GLU A 24 1.910 -9.907 -8.813 1.00 0.00 C ATOM 128 CG GLU A 24 1.712 -8.659 -9.676 1.00 0.00 C ATOM 129 CD GLU A 24 1.095 -9.021 -11.029 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.189 -9.865 -11.091 1.00 0.00 O ATOM 131 OE2 GLU A 24 1.589 -8.390 -12.039 1.00 0.00 O ATOM 0 H GLU A 24 4.132 -9.040 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 24 3.177 -11.619 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.116 -10.625 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.834 -9.640 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.067 -7.951 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.670 -8.163 -9.830 1.00 0.00 H new ATOM 139 N ALA A 25 4.674 -9.524 -10.753 1.00 0.00 N ATOM 140 CA ALA A 25 5.167 -9.256 -12.094 1.00 0.00 C ATOM 141 C ALA A 25 5.560 -10.576 -12.761 1.00 0.00 C ATOM 142 O ALA A 25 5.525 -10.691 -13.985 1.00 0.00 O ATOM 143 CB ALA A 25 6.333 -8.268 -12.022 1.00 0.00 C ATOM 0 H ALA A 25 5.153 -9.012 -10.012 1.00 0.00 H new ATOM 0 HA ALA A 25 4.389 -8.797 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.702 -8.067 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.994 -7.337 -11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.135 -8.695 -11.419 1.00 0.00 H new ATOM 149 N GLY A 26 5.927 -11.537 -11.926 1.00 0.00 N ATOM 150 CA GLY A 26 6.327 -12.844 -12.420 1.00 0.00 C ATOM 151 C GLY A 26 7.472 -13.419 -11.583 1.00 0.00 C ATOM 152 O GLY A 26 8.393 -14.030 -12.122 1.00 0.00 O ATOM 0 H GLY A 26 5.956 -11.437 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.475 -13.523 -12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.638 -12.764 -13.462 1.00 0.00 H new ATOM 156 N THR A 27 7.375 -13.204 -10.279 1.00 0.00 N ATOM 157 CA THR A 27 8.391 -13.693 -9.363 1.00 0.00 C ATOM 158 C THR A 27 7.975 -15.043 -8.777 1.00 0.00 C ATOM 159 O THR A 27 8.764 -15.987 -8.761 1.00 0.00 O ATOM 160 CB THR A 27 8.628 -12.617 -8.302 1.00 0.00 C ATOM 161 OG1 THR A 27 9.483 -11.676 -8.946 1.00 0.00 O ATOM 162 CG2 THR A 27 9.459 -13.129 -7.123 1.00 0.00 C ATOM 0 H THR A 27 6.609 -12.698 -9.835 1.00 0.00 H new ATOM 0 HA THR A 27 9.334 -13.875 -9.878 1.00 0.00 H new ATOM 0 HB THR A 27 7.668 -12.250 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.049 -11.342 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.598 -12.326 -6.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.941 -13.961 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.432 -13.465 -7.482 1.00 0.00 H new ATOM 170 N LEU A 28 6.736 -15.093 -8.309 1.00 0.00 N ATOM 171 CA LEU A 28 6.205 -16.312 -7.724 1.00 0.00 C ATOM 172 C LEU A 28 4.954 -16.739 -8.493 1.00 0.00 C ATOM 173 O LEU A 28 4.502 -16.032 -9.392 1.00 0.00 O ATOM 174 CB LEU A 28 5.973 -16.128 -6.223 1.00 0.00 C ATOM 175 CG LEU A 28 5.775 -14.688 -5.746 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.918 -14.642 -4.480 1.00 0.00 C ATOM 177 CD2 LEU A 28 7.120 -13.984 -5.554 1.00 0.00 C ATOM 0 H LEU A 28 6.085 -14.308 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 28 6.926 -17.124 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.095 -16.708 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.823 -16.553 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 28 5.234 -14.144 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.793 -13.607 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.941 -15.079 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.409 -15.208 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.951 -12.962 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.709 -14.521 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.660 -13.967 -6.501 1.00 0.00 H new ATOM 189 N ALA A 29 4.428 -17.894 -8.110 1.00 0.00 N ATOM 190 CA ALA A 29 3.237 -18.423 -8.752 1.00 0.00 C ATOM 191 C ALA A 29 2.241 -18.869 -7.680 1.00 0.00 C ATOM 192 O ALA A 29 2.636 -19.245 -6.578 1.00 0.00 O ATOM 193 CB ALA A 29 3.629 -19.563 -9.694 1.00 0.00 C ATOM 0 H ALA A 29 4.805 -18.478 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 29 2.752 -17.655 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.736 -19.960 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.315 -19.188 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.116 -20.354 -9.124 1.00 0.00 H new ATOM 199 N GLU A 30 0.967 -18.814 -8.042 1.00 0.00 N ATOM 200 CA GLU A 30 -0.089 -19.207 -7.125 1.00 0.00 C ATOM 201 C GLU A 30 -1.294 -19.741 -7.901 1.00 0.00 C ATOM 202 O GLU A 30 -1.621 -19.235 -8.973 1.00 0.00 O ATOM 203 CB GLU A 30 -0.493 -18.041 -6.220 1.00 0.00 C ATOM 204 CG GLU A 30 -0.997 -16.856 -7.045 1.00 0.00 C ATOM 205 CD GLU A 30 0.152 -16.183 -7.798 1.00 0.00 C ATOM 206 OE1 GLU A 30 0.414 -16.522 -8.962 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.783 -15.276 -7.132 1.00 0.00 O ATOM 0 H GLU A 30 0.643 -18.503 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 30 0.290 -20.005 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.271 -18.365 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.360 -17.732 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.751 -17.197 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.480 -16.132 -6.390 1.00 0.00 H new ATOM 215 N CYS A 31 -1.923 -20.758 -7.329 1.00 0.00 N ATOM 216 CA CYS A 31 -3.085 -21.367 -7.955 1.00 0.00 C ATOM 217 C CYS A 31 -4.139 -20.279 -8.171 1.00 0.00 C ATOM 218 O CYS A 31 -4.526 -19.589 -7.229 1.00 0.00 O ATOM 219 CB CYS A 31 -3.629 -22.531 -7.125 1.00 0.00 C ATOM 220 SG CYS A 31 -3.896 -23.991 -8.195 1.00 0.00 S ATOM 0 H CYS A 31 -1.650 -21.175 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.802 -21.794 -8.917 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.929 -22.778 -6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.566 -22.242 -6.649 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.658 -25.075 -7.518 1.00 0.00 H new ATOM 225 N GLU A 32 -4.572 -20.159 -9.418 1.00 0.00 N ATOM 226 CA GLU A 32 -5.573 -19.167 -9.770 1.00 0.00 C ATOM 227 C GLU A 32 -6.978 -19.716 -9.512 1.00 0.00 C ATOM 228 O GLU A 32 -7.969 -19.020 -9.729 1.00 0.00 O ATOM 229 CB GLU A 32 -5.416 -18.722 -11.225 1.00 0.00 C ATOM 230 CG GLU A 32 -5.946 -17.300 -11.424 1.00 0.00 C ATOM 231 CD GLU A 32 -6.028 -16.949 -12.911 1.00 0.00 C ATOM 232 OE1 GLU A 32 -6.945 -17.410 -13.607 1.00 0.00 O ATOM 233 OE2 GLU A 32 -5.096 -16.167 -13.339 1.00 0.00 O ATOM 0 H GLU A 32 -4.248 -20.733 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.426 -18.290 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.365 -18.766 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.953 -19.409 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.933 -17.209 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.294 -16.590 -10.914 1.00 0.00 H new ATOM 241 N VAL A 33 -7.018 -20.958 -9.054 1.00 0.00 N ATOM 242 CA VAL A 33 -8.285 -21.609 -8.765 1.00 0.00 C ATOM 243 C VAL A 33 -8.463 -21.719 -7.250 1.00 0.00 C ATOM 244 O VAL A 33 -9.534 -22.090 -6.772 1.00 0.00 O ATOM 245 CB VAL A 33 -8.352 -22.962 -9.476 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.971 -23.388 -9.976 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.958 -24.030 -8.563 1.00 0.00 C ATOM 0 H VAL A 33 -6.193 -21.531 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.116 -21.015 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.003 -22.853 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.047 -24.353 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.592 -22.644 -10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.288 -23.471 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.995 -24.982 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.344 -24.135 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.968 -23.734 -8.278 1.00 0.00 H new ATOM 257 N HIS A 34 -7.396 -21.391 -6.536 1.00 0.00 N ATOM 258 CA HIS A 34 -7.421 -21.448 -5.084 1.00 0.00 C ATOM 259 C HIS A 34 -6.950 -20.111 -4.509 1.00 0.00 C ATOM 260 O HIS A 34 -5.749 -19.861 -4.413 1.00 0.00 O ATOM 261 CB HIS A 34 -6.601 -22.635 -4.574 1.00 0.00 C ATOM 262 CG HIS A 34 -6.618 -23.834 -5.492 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.361 -23.743 -6.848 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.862 -25.151 -5.234 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.450 -24.956 -7.373 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.762 -25.827 -6.371 1.00 0.00 N ATOM 0 H HIS A 34 -6.509 -21.085 -6.936 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.442 -21.611 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.569 -22.315 -4.430 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.981 -22.933 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.097 -25.572 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.302 -25.210 -8.412 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.896 -26.832 -6.478 1.00 0.00 H new ATOM 274 N GLU A 35 -7.920 -19.287 -4.142 1.00 0.00 N ATOM 275 CA GLU A 35 -7.620 -17.981 -3.579 1.00 0.00 C ATOM 276 C GLU A 35 -7.060 -18.130 -2.162 1.00 0.00 C ATOM 277 O GLU A 35 -7.702 -18.724 -1.297 1.00 0.00 O ATOM 278 CB GLU A 35 -8.858 -17.083 -3.588 1.00 0.00 C ATOM 279 CG GLU A 35 -9.810 -17.449 -2.448 1.00 0.00 C ATOM 280 CD GLU A 35 -11.192 -16.829 -2.667 1.00 0.00 C ATOM 281 OE1 GLU A 35 -11.972 -16.700 -1.712 1.00 0.00 O ATOM 282 OE2 GLU A 35 -11.444 -16.474 -3.881 1.00 0.00 O ATOM 0 H GLU A 35 -8.915 -19.498 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.862 -17.504 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.556 -16.040 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.375 -17.180 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.901 -18.533 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.398 -17.103 -1.500 1.00 0.00 H new ATOM 290 N GLY A 36 -5.871 -17.579 -1.969 1.00 0.00 N ATOM 291 CA GLY A 36 -5.218 -17.643 -0.673 1.00 0.00 C ATOM 292 C GLY A 36 -3.997 -18.563 -0.718 1.00 0.00 C ATOM 293 O GLY A 36 -3.092 -18.441 0.106 1.00 0.00 O ATOM 0 H GLY A 36 -5.343 -17.086 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.913 -16.643 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.923 -18.005 0.076 1.00 0.00 H new ATOM 297 N THR A 37 -4.011 -19.464 -1.690 1.00 0.00 N ATOM 298 CA THR A 37 -2.915 -20.405 -1.854 1.00 0.00 C ATOM 299 C THR A 37 -1.875 -19.847 -2.827 1.00 0.00 C ATOM 300 O THR A 37 -2.217 -19.412 -3.925 1.00 0.00 O ATOM 301 CB THR A 37 -3.505 -21.745 -2.297 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.877 -21.453 -2.552 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.547 -22.771 -1.163 1.00 0.00 C ATOM 0 H THR A 37 -4.763 -19.562 -2.372 1.00 0.00 H new ATOM 0 HA THR A 37 -2.384 -20.562 -0.915 1.00 0.00 H new ATOM 0 HB THR A 37 -2.918 -22.143 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.957 -20.972 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.974 -23.703 -1.532 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.536 -22.954 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.161 -22.388 -0.348 1.00 0.00 H new ATOM 311 N TYR A 38 -0.625 -19.878 -2.388 1.00 0.00 N ATOM 312 CA TYR A 38 0.468 -19.382 -3.207 1.00 0.00 C ATOM 313 C TYR A 38 1.694 -20.291 -3.096 1.00 0.00 C ATOM 314 O TYR A 38 1.698 -21.240 -2.314 1.00 0.00 O ATOM 315 CB TYR A 38 0.820 -18.001 -2.648 1.00 0.00 C ATOM 316 CG TYR A 38 -0.150 -16.895 -3.067 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.361 -16.756 -2.419 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.186 -16.035 -4.093 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.273 -15.715 -2.813 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.727 -14.994 -4.488 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.912 -14.885 -3.828 1.00 0.00 C ATOM 322 OH TYR A 38 -2.774 -13.901 -4.201 1.00 0.00 O ATOM 0 H TYR A 38 -0.345 -20.239 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 38 0.176 -19.347 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.844 -18.056 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.824 -17.733 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.624 -17.429 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.134 -16.143 -4.600 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.223 -15.595 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.477 -14.315 -5.290 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.383 -13.385 -4.937 1.00 0.00 H new ATOM 332 N PHE A 39 2.704 -19.968 -3.890 1.00 0.00 N ATOM 333 CA PHE A 39 3.932 -20.744 -3.891 1.00 0.00 C ATOM 334 C PHE A 39 5.001 -20.078 -4.760 1.00 0.00 C ATOM 335 O PHE A 39 4.850 -19.991 -5.978 1.00 0.00 O ATOM 336 CB PHE A 39 3.595 -22.116 -4.480 1.00 0.00 C ATOM 337 CG PHE A 39 3.412 -22.113 -5.999 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.185 -21.876 -6.536 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.477 -22.347 -6.813 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.015 -21.873 -7.946 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.307 -22.344 -8.222 1.00 0.00 C ATOM 342 CZ PHE A 39 3.080 -22.107 -8.759 1.00 0.00 C ATOM 0 H PHE A 39 2.697 -19.179 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 39 4.323 -20.822 -2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.389 -22.816 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.681 -22.485 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.340 -21.690 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.451 -22.535 -6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.041 -21.685 -8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.152 -22.530 -8.868 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.951 -22.105 -9.831 1.00 0.00 H new ATOM 352 N SER A 40 6.057 -19.626 -4.101 1.00 0.00 N ATOM 353 CA SER A 40 7.150 -18.971 -4.798 1.00 0.00 C ATOM 354 C SER A 40 8.232 -19.993 -5.153 1.00 0.00 C ATOM 355 O SER A 40 8.380 -21.007 -4.473 1.00 0.00 O ATOM 356 CB SER A 40 7.744 -17.841 -3.953 1.00 0.00 C ATOM 357 OG SER A 40 8.460 -18.338 -2.826 1.00 0.00 O ATOM 0 H SER A 40 6.179 -19.700 -3.091 1.00 0.00 H new ATOM 0 HA SER A 40 6.757 -18.534 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.411 -17.239 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.944 -17.183 -3.613 1.00 0.00 H new ATOM 0 HG SER A 40 8.834 -17.587 -2.319 1.00 0.00 H new ATOM 363 N ASP A 41 8.960 -19.690 -6.218 1.00 0.00 N ATOM 364 CA ASP A 41 10.024 -20.570 -6.671 1.00 0.00 C ATOM 365 C ASP A 41 10.798 -21.094 -5.460 1.00 0.00 C ATOM 366 O ASP A 41 11.733 -20.447 -4.989 1.00 0.00 O ATOM 367 CB ASP A 41 11.008 -19.824 -7.575 1.00 0.00 C ATOM 368 CG ASP A 41 11.425 -20.579 -8.839 1.00 0.00 C ATOM 369 OD1 ASP A 41 10.838 -20.394 -9.916 1.00 0.00 O ATOM 370 OD2 ASP A 41 12.410 -21.397 -8.686 1.00 0.00 O ATOM 0 H ASP A 41 8.834 -18.848 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 41 9.570 -21.388 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.560 -18.874 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.903 -19.590 -6.998 1.00 0.00 H new ATOM 376 N SER A 42 10.380 -22.260 -4.990 1.00 0.00 N ATOM 377 CA SER A 42 11.023 -22.878 -3.843 1.00 0.00 C ATOM 378 C SER A 42 12.402 -23.411 -4.239 1.00 0.00 C ATOM 379 O SER A 42 12.563 -23.987 -5.314 1.00 0.00 O ATOM 380 CB SER A 42 10.162 -24.007 -3.271 1.00 0.00 C ATOM 381 OG SER A 42 10.004 -25.078 -4.197 1.00 0.00 O ATOM 0 H SER A 42 9.604 -22.793 -5.383 1.00 0.00 H new ATOM 0 HA SER A 42 11.142 -22.120 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.619 -24.383 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.182 -23.614 -3.000 1.00 0.00 H new ATOM 0 HG SER A 42 9.450 -25.779 -3.795 1.00 0.00 H new ATOM 387 N GLY A 43 13.360 -23.199 -3.350 1.00 0.00 N ATOM 388 CA GLY A 43 14.720 -23.650 -3.593 1.00 0.00 C ATOM 389 C GLY A 43 15.650 -22.467 -3.868 1.00 0.00 C ATOM 390 O GLY A 43 16.838 -22.520 -3.554 1.00 0.00 O ATOM 0 H GLY A 43 13.222 -22.721 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.081 -24.208 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.734 -24.333 -4.442 1.00 0.00 H new ATOM 394 N ASP A 44 15.074 -21.426 -4.452 1.00 0.00 N ATOM 395 CA ASP A 44 15.836 -20.232 -4.774 1.00 0.00 C ATOM 396 C ASP A 44 14.928 -19.006 -4.657 1.00 0.00 C ATOM 397 O ASP A 44 14.406 -18.518 -5.658 1.00 0.00 O ATOM 398 CB ASP A 44 16.371 -20.289 -6.206 1.00 0.00 C ATOM 399 CG ASP A 44 17.193 -21.535 -6.540 1.00 0.00 C ATOM 400 OD1 ASP A 44 18.137 -21.890 -5.819 1.00 0.00 O ATOM 401 OD2 ASP A 44 16.824 -22.162 -7.606 1.00 0.00 O ATOM 0 H ASP A 44 14.088 -21.385 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 44 16.673 -20.169 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.528 -20.233 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.987 -19.407 -6.383 1.00 0.00 H new ATOM 407 N ILE A 45 14.767 -18.544 -3.426 1.00 0.00 N ATOM 408 CA ILE A 45 13.931 -17.384 -3.165 1.00 0.00 C ATOM 409 C ILE A 45 14.654 -16.122 -3.640 1.00 0.00 C ATOM 410 O ILE A 45 14.016 -15.152 -4.046 1.00 0.00 O ATOM 411 CB ILE A 45 13.521 -17.340 -1.692 1.00 0.00 C ATOM 412 CG1 ILE A 45 14.745 -17.192 -0.786 1.00 0.00 C ATOM 413 CG2 ILE A 45 12.677 -18.561 -1.320 1.00 0.00 C ATOM 414 CD1 ILE A 45 14.448 -16.259 0.390 1.00 0.00 C ATOM 0 H ILE A 45 15.201 -18.952 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 45 13.001 -17.450 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 45 12.898 -16.459 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 45 15.045 -18.171 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.583 -16.801 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.399 -18.504 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.776 -18.581 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.254 -19.469 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.335 -16.171 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.172 -15.274 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.625 -16.666 0.978 1.00 0.00 H new ATOM 426 N SER A 46 15.976 -16.176 -3.574 1.00 0.00 N ATOM 427 CA SER A 46 16.793 -15.050 -3.993 1.00 0.00 C ATOM 428 C SER A 46 16.535 -14.735 -5.468 1.00 0.00 C ATOM 429 O SER A 46 16.551 -13.573 -5.871 1.00 0.00 O ATOM 430 CB SER A 46 18.279 -15.331 -3.763 1.00 0.00 C ATOM 431 OG SER A 46 18.830 -16.160 -4.783 1.00 0.00 O ATOM 0 H SER A 46 16.502 -16.982 -3.237 1.00 0.00 H new ATOM 0 HA SER A 46 16.517 -14.185 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.825 -14.388 -3.728 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.411 -15.812 -2.794 1.00 0.00 H new ATOM 0 HG SER A 46 19.780 -16.315 -4.601 1.00 0.00 H new ATOM 437 N GLU A 47 16.303 -15.792 -6.233 1.00 0.00 N ATOM 438 CA GLU A 47 16.041 -15.643 -7.655 1.00 0.00 C ATOM 439 C GLU A 47 14.809 -14.764 -7.879 1.00 0.00 C ATOM 440 O GLU A 47 14.731 -14.040 -8.870 1.00 0.00 O ATOM 441 CB GLU A 47 15.871 -17.007 -8.327 1.00 0.00 C ATOM 442 CG GLU A 47 16.047 -16.898 -9.842 1.00 0.00 C ATOM 443 CD GLU A 47 16.115 -18.283 -10.488 1.00 0.00 C ATOM 444 OE1 GLU A 47 15.071 -18.866 -10.816 1.00 0.00 O ATOM 445 OE2 GLU A 47 17.306 -18.753 -10.647 1.00 0.00 O ATOM 0 H GLU A 47 16.291 -16.754 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 47 16.900 -15.153 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.600 -17.709 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.883 -17.407 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.217 -16.335 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.958 -16.343 -10.067 1.00 0.00 H new ATOM 453 N ALA A 48 13.877 -14.857 -6.942 1.00 0.00 N ATOM 454 CA ALA A 48 12.652 -14.080 -7.025 1.00 0.00 C ATOM 455 C ALA A 48 12.980 -12.598 -6.829 1.00 0.00 C ATOM 456 O ALA A 48 12.509 -11.749 -7.585 1.00 0.00 O ATOM 457 CB ALA A 48 11.649 -14.596 -5.992 1.00 0.00 C ATOM 0 H ALA A 48 13.946 -15.459 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 48 12.193 -14.190 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.730 -14.013 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.428 -15.644 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.073 -14.499 -4.993 1.00 0.00 H new ATOM 463 N GLU A 49 13.785 -12.332 -5.811 1.00 0.00 N ATOM 464 CA GLU A 49 14.182 -10.968 -5.507 1.00 0.00 C ATOM 465 C GLU A 49 14.872 -10.333 -6.716 1.00 0.00 C ATOM 466 O GLU A 49 14.461 -9.274 -7.186 1.00 0.00 O ATOM 467 CB GLU A 49 15.085 -10.921 -4.273 1.00 0.00 C ATOM 468 CG GLU A 49 14.600 -11.900 -3.202 1.00 0.00 C ATOM 469 CD GLU A 49 13.076 -12.029 -3.226 1.00 0.00 C ATOM 470 OE1 GLU A 49 12.372 -11.026 -3.413 1.00 0.00 O ATOM 471 OE2 GLU A 49 12.627 -13.224 -3.043 1.00 0.00 O ATOM 0 H GLU A 49 14.173 -13.038 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 49 13.285 -10.392 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.109 -11.165 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.100 -9.910 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.054 -12.877 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.924 -11.559 -2.219 1.00 0.00 H new ATOM 479 N GLU A 50 15.911 -11.009 -7.186 1.00 0.00 N ATOM 480 CA GLU A 50 16.663 -10.525 -8.331 1.00 0.00 C ATOM 481 C GLU A 50 15.780 -10.519 -9.582 1.00 0.00 C ATOM 482 O GLU A 50 15.887 -9.623 -10.417 1.00 0.00 O ATOM 483 CB GLU A 50 17.923 -11.362 -8.554 1.00 0.00 C ATOM 484 CG GLU A 50 18.952 -11.109 -7.449 1.00 0.00 C ATOM 485 CD GLU A 50 20.247 -11.877 -7.720 1.00 0.00 C ATOM 486 OE1 GLU A 50 20.217 -12.938 -8.360 1.00 0.00 O ATOM 487 OE2 GLU A 50 21.314 -11.333 -7.240 1.00 0.00 O ATOM 0 H GLU A 50 16.249 -11.888 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 50 16.978 -9.502 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.662 -12.420 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.358 -11.120 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.165 -10.042 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.540 -11.412 -6.487 1.00 0.00 H new ATOM 495 N LEU A 51 14.929 -11.531 -9.670 1.00 0.00 N ATOM 496 CA LEU A 51 14.029 -11.654 -10.805 1.00 0.00 C ATOM 497 C LEU A 51 13.117 -10.428 -10.861 1.00 0.00 C ATOM 498 O LEU A 51 12.884 -9.872 -11.934 1.00 0.00 O ATOM 499 CB LEU A 51 13.272 -12.982 -10.746 1.00 0.00 C ATOM 500 CG LEU A 51 12.069 -13.110 -11.682 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.485 -14.524 -11.635 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.016 -12.044 -11.372 1.00 0.00 C ATOM 0 H LEU A 51 14.844 -12.273 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 51 14.592 -11.676 -11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.971 -13.787 -10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.929 -13.137 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 51 12.411 -12.937 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.631 -14.588 -12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.245 -15.242 -11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.162 -14.751 -10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.172 -12.158 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.672 -12.160 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.453 -11.053 -11.499 1.00 0.00 H new ATOM 514 N ALA A 52 12.625 -10.041 -9.694 1.00 0.00 N ATOM 515 CA ALA A 52 11.743 -8.890 -9.597 1.00 0.00 C ATOM 516 C ALA A 52 12.543 -7.615 -9.871 1.00 0.00 C ATOM 517 O ALA A 52 12.067 -6.717 -10.563 1.00 0.00 O ATOM 518 CB ALA A 52 11.073 -8.874 -8.221 1.00 0.00 C ATOM 0 H ALA A 52 12.820 -10.504 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 52 10.952 -8.949 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.412 -8.011 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.493 -9.787 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.836 -8.812 -7.445 1.00 0.00 H new ATOM 524 N ARG A 53 13.744 -7.578 -9.314 1.00 0.00 N ATOM 525 CA ARG A 53 14.615 -6.428 -9.490 1.00 0.00 C ATOM 526 C ARG A 53 14.749 -6.086 -10.975 1.00 0.00 C ATOM 527 O ARG A 53 14.613 -4.927 -11.363 1.00 0.00 O ATOM 528 CB ARG A 53 16.005 -6.695 -8.907 1.00 0.00 C ATOM 529 CG ARG A 53 17.057 -6.774 -10.015 1.00 0.00 C ATOM 530 CD ARG A 53 18.464 -6.898 -9.426 1.00 0.00 C ATOM 531 NE ARG A 53 19.078 -5.557 -9.296 1.00 0.00 N ATOM 532 CZ ARG A 53 20.115 -5.281 -8.494 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.661 -6.250 -7.746 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.607 -4.036 -8.440 1.00 0.00 N ATOM 0 H ARG A 53 14.135 -8.326 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 53 14.166 -5.588 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.268 -5.902 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.994 -7.628 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.851 -7.630 -10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.998 -5.884 -10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.418 -7.382 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.081 -7.529 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 53 18.687 -4.796 -9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.287 -7.198 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.451 -6.039 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.192 -3.298 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.397 -3.826 -7.829 1.00 0.00 H new ATOM 548 N GLU A 54 15.015 -7.116 -11.765 1.00 0.00 N ATOM 549 CA GLU A 54 15.170 -6.939 -13.199 1.00 0.00 C ATOM 550 C GLU A 54 13.800 -6.795 -13.866 1.00 0.00 C ATOM 551 O GLU A 54 13.659 -6.074 -14.853 1.00 0.00 O ATOM 552 CB GLU A 54 15.959 -8.096 -13.812 1.00 0.00 C ATOM 553 CG GLU A 54 15.163 -9.401 -13.742 1.00 0.00 C ATOM 554 CD GLU A 54 15.854 -10.509 -14.541 1.00 0.00 C ATOM 555 OE1 GLU A 54 15.706 -10.571 -15.770 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.567 -11.323 -13.839 1.00 0.00 O ATOM 0 H GLU A 54 15.127 -8.076 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 54 15.736 -6.024 -13.374 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.199 -7.867 -14.850 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.906 -8.215 -13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.056 -9.710 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.158 -9.239 -14.132 1.00 0.00 H new ATOM 564 N LYS A 55 12.826 -7.492 -13.301 1.00 0.00 N ATOM 565 CA LYS A 55 11.473 -7.451 -13.829 1.00 0.00 C ATOM 566 C LYS A 55 10.993 -5.999 -13.878 1.00 0.00 C ATOM 567 O LYS A 55 10.529 -5.529 -14.916 1.00 0.00 O ATOM 568 CB LYS A 55 10.555 -8.375 -13.025 1.00 0.00 C ATOM 569 CG LYS A 55 9.175 -8.478 -13.676 1.00 0.00 C ATOM 570 CD LYS A 55 9.289 -8.908 -15.140 1.00 0.00 C ATOM 571 CE LYS A 55 10.149 -10.166 -15.276 1.00 0.00 C ATOM 572 NZ LYS A 55 9.523 -11.302 -14.563 1.00 0.00 N ATOM 0 H LYS A 55 12.947 -8.089 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 55 11.452 -7.829 -14.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.003 -9.366 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.454 -7.997 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.564 -9.196 -13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.667 -7.515 -13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.295 -9.097 -15.546 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.725 -8.100 -15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.275 -10.415 -16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.144 -9.979 -14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.144 -12.134 -14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.379 -11.048 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.606 -11.523 -15.000 1.00 0.00 H new ATOM 586 N PHE A 56 11.121 -5.328 -12.743 1.00 0.00 N ATOM 587 CA PHE A 56 10.707 -3.939 -12.643 1.00 0.00 C ATOM 588 C PHE A 56 11.654 -3.027 -13.425 1.00 0.00 C ATOM 589 O PHE A 56 11.209 -2.119 -14.126 1.00 0.00 O ATOM 590 CB PHE A 56 10.761 -3.561 -11.161 1.00 0.00 C ATOM 591 CG PHE A 56 12.111 -2.998 -10.712 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.538 -1.797 -11.184 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.885 -3.700 -9.840 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.791 -1.274 -10.767 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.137 -3.178 -9.423 1.00 0.00 C ATOM 596 CZ PHE A 56 14.564 -1.976 -9.896 1.00 0.00 C ATOM 0 H PHE A 56 11.506 -5.721 -11.884 1.00 0.00 H new ATOM 0 HA PHE A 56 9.706 -3.819 -13.057 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.985 -2.824 -10.956 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.529 -4.442 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.924 -1.240 -11.876 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.546 -4.655 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.130 -0.319 -11.142 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.751 -3.735 -8.730 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.517 -1.579 -9.580 1.00 0.00 H new ATOM 606 N GLU A 57 12.942 -3.299 -13.279 1.00 0.00 N ATOM 607 CA GLU A 57 13.956 -2.515 -13.963 1.00 0.00 C ATOM 608 C GLU A 57 13.914 -2.789 -15.467 1.00 0.00 C ATOM 609 O GLU A 57 14.521 -2.062 -16.252 1.00 0.00 O ATOM 610 CB GLU A 57 15.347 -2.798 -13.392 1.00 0.00 C ATOM 611 CG GLU A 57 16.088 -3.832 -14.241 1.00 0.00 C ATOM 612 CD GLU A 57 16.817 -3.162 -15.408 1.00 0.00 C ATOM 613 OE1 GLU A 57 16.879 -3.730 -16.508 1.00 0.00 O ATOM 614 OE2 GLU A 57 17.329 -2.008 -15.141 1.00 0.00 O ATOM 0 H GLU A 57 13.307 -4.052 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 57 13.741 -1.459 -13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.923 -1.874 -13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.257 -3.160 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.805 -4.371 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.381 -4.568 -14.624 1.00 0.00 H new ATOM 622 N LYS A 58 13.193 -3.842 -15.824 1.00 0.00 N ATOM 623 CA LYS A 58 13.064 -4.222 -17.221 1.00 0.00 C ATOM 624 C LYS A 58 11.981 -3.366 -17.880 1.00 0.00 C ATOM 625 O LYS A 58 11.893 -3.306 -19.106 1.00 0.00 O ATOM 626 CB LYS A 58 12.820 -5.727 -17.346 1.00 0.00 C ATOM 627 CG LYS A 58 14.143 -6.495 -17.389 1.00 0.00 C ATOM 628 CD LYS A 58 13.934 -7.968 -17.029 1.00 0.00 C ATOM 629 CE LYS A 58 12.922 -8.623 -17.971 1.00 0.00 C ATOM 630 NZ LYS A 58 13.039 -10.097 -17.913 1.00 0.00 N ATOM 0 H LYS A 58 12.692 -4.444 -15.170 1.00 0.00 H new ATOM 0 HA LYS A 58 13.993 -4.028 -17.756 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.222 -6.073 -16.503 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.247 -5.932 -18.250 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.580 -6.419 -18.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.852 -6.044 -16.695 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.885 -8.498 -17.085 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.584 -8.049 -16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.911 -8.321 -17.695 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.090 -8.279 -18.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.345 -10.526 -18.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.998 -10.381 -18.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.856 -10.422 -16.942 1.00 0.00 H new ATOM 754 N VAL A 67 16.480 -0.060 -6.101 1.00 0.00 N ATOM 755 CA VAL A 67 16.368 -1.442 -6.535 1.00 0.00 C ATOM 756 C VAL A 67 16.467 -2.363 -5.317 1.00 0.00 C ATOM 757 O VAL A 67 15.794 -3.391 -5.256 1.00 0.00 O ATOM 758 CB VAL A 67 17.424 -1.743 -7.600 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.809 -1.277 -7.146 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.436 -3.231 -7.956 1.00 0.00 C ATOM 0 HA VAL A 67 15.398 -1.620 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 67 17.161 -1.186 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.541 -1.503 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.790 -0.202 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.083 -1.794 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.196 -3.417 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.662 -3.816 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.459 -3.521 -8.342 1.00 0.00 H new ATOM 770 N GLU A 68 17.312 -1.962 -4.379 1.00 0.00 N ATOM 771 CA GLU A 68 17.508 -2.739 -3.167 1.00 0.00 C ATOM 772 C GLU A 68 16.229 -2.745 -2.328 1.00 0.00 C ATOM 773 O GLU A 68 15.947 -3.716 -1.626 1.00 0.00 O ATOM 774 CB GLU A 68 18.692 -2.205 -2.358 1.00 0.00 C ATOM 775 CG GLU A 68 19.013 -3.128 -1.181 1.00 0.00 C ATOM 776 CD GLU A 68 20.490 -3.029 -0.794 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.822 -3.063 0.400 1.00 0.00 O ATOM 778 OE2 GLU A 68 21.307 -2.914 -1.786 1.00 0.00 O ATOM 0 H GLU A 68 17.869 -1.109 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 68 17.738 -3.766 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.566 -2.115 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.463 -1.205 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.391 -2.863 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.771 -4.157 -1.445 1.00 0.00 H new ATOM 786 N GLU A 69 15.489 -1.651 -2.428 1.00 0.00 N ATOM 787 CA GLU A 69 14.246 -1.518 -1.687 1.00 0.00 C ATOM 788 C GLU A 69 13.163 -2.406 -2.303 1.00 0.00 C ATOM 789 O GLU A 69 12.360 -3.001 -1.585 1.00 0.00 O ATOM 790 CB GLU A 69 13.793 -0.058 -1.633 1.00 0.00 C ATOM 791 CG GLU A 69 12.919 0.200 -0.404 1.00 0.00 C ATOM 792 CD GLU A 69 13.767 0.271 0.867 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.389 -0.306 1.897 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.855 0.955 0.759 1.00 0.00 O ATOM 0 H GLU A 69 15.726 -0.848 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 69 14.420 -1.848 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.665 0.596 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.236 0.187 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.371 1.134 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.178 -0.594 -0.307 1.00 0.00 H new ATOM 802 N LEU A 70 13.175 -2.467 -3.626 1.00 0.00 N ATOM 803 CA LEU A 70 12.203 -3.272 -4.347 1.00 0.00 C ATOM 804 C LEU A 70 12.476 -4.753 -4.079 1.00 0.00 C ATOM 805 O LEU A 70 11.580 -5.487 -3.663 1.00 0.00 O ATOM 806 CB LEU A 70 12.202 -2.906 -5.833 1.00 0.00 C ATOM 807 CG LEU A 70 10.827 -2.698 -6.471 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.858 -3.034 -7.963 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.751 -3.492 -5.727 1.00 0.00 C ATOM 0 H LEU A 70 13.842 -1.972 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 70 11.195 -3.063 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.783 -1.993 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.720 -3.693 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 70 10.567 -1.643 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.868 -2.878 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.578 -2.389 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.150 -4.076 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.784 -3.326 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.994 -4.554 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.708 -3.162 -4.689 1.00 0.00 H new ATOM 821 N VAL A 71 13.715 -5.149 -4.328 1.00 0.00 N ATOM 822 CA VAL A 71 14.117 -6.530 -4.118 1.00 0.00 C ATOM 823 C VAL A 71 13.758 -6.950 -2.692 1.00 0.00 C ATOM 824 O VAL A 71 13.079 -7.955 -2.489 1.00 0.00 O ATOM 825 CB VAL A 71 15.604 -6.696 -4.434 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.878 -6.469 -5.922 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.456 -5.762 -3.572 1.00 0.00 C ATOM 0 H VAL A 71 14.455 -4.538 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 71 13.579 -7.192 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 71 15.884 -7.722 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.943 -6.593 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.313 -7.192 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.573 -5.460 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.509 -5.900 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.171 -4.728 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.295 -5.992 -2.519 1.00 0.00 H new ATOM 837 N LYS A 72 14.229 -6.158 -1.740 1.00 0.00 N ATOM 838 CA LYS A 72 13.966 -6.435 -0.338 1.00 0.00 C ATOM 839 C LYS A 72 12.455 -6.481 -0.106 1.00 0.00 C ATOM 840 O LYS A 72 11.978 -7.217 0.756 1.00 0.00 O ATOM 841 CB LYS A 72 14.694 -5.426 0.553 1.00 0.00 C ATOM 842 CG LYS A 72 13.807 -4.215 0.849 1.00 0.00 C ATOM 843 CD LYS A 72 14.373 -3.390 2.006 1.00 0.00 C ATOM 844 CE LYS A 72 15.845 -3.047 1.766 1.00 0.00 C ATOM 845 NZ LYS A 72 16.464 -2.524 3.004 1.00 0.00 N ATOM 0 H LYS A 72 14.791 -5.324 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 72 14.361 -7.413 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.985 -5.905 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.611 -5.098 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.727 -3.592 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.799 -4.549 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.796 -2.472 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.273 -3.947 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.381 -3.935 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.927 -2.306 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.463 -2.296 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.962 -1.665 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.403 -3.243 3.753 1.00 0.00 H new ATOM 859 N LYS A 73 11.743 -5.686 -0.891 1.00 0.00 N ATOM 860 CA LYS A 73 10.295 -5.627 -0.782 1.00 0.00 C ATOM 861 C LYS A 73 9.689 -6.883 -1.412 1.00 0.00 C ATOM 862 O LYS A 73 8.636 -7.350 -0.983 1.00 0.00 O ATOM 863 CB LYS A 73 9.766 -4.322 -1.380 1.00 0.00 C ATOM 864 CG LYS A 73 10.012 -3.145 -0.434 1.00 0.00 C ATOM 865 CD LYS A 73 8.872 -3.007 0.577 1.00 0.00 C ATOM 866 CE LYS A 73 9.089 -1.795 1.485 1.00 0.00 C ATOM 867 NZ LYS A 73 9.137 -0.551 0.686 1.00 0.00 N ATOM 0 H LYS A 73 12.142 -5.077 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 73 9.991 -5.617 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.253 -4.132 -2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.699 -4.416 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.955 -3.289 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.106 -2.224 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.924 -2.906 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.806 -3.912 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.284 -1.733 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.018 -1.912 2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.962 0.266 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.075 -0.457 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.409 -0.586 -0.055 1.00 0.00 H new ATOM 881 N VAL A 74 10.382 -7.394 -2.420 1.00 0.00 N ATOM 882 CA VAL A 74 9.925 -8.586 -3.113 1.00 0.00 C ATOM 883 C VAL A 74 10.165 -9.810 -2.226 1.00 0.00 C ATOM 884 O VAL A 74 9.330 -10.710 -2.165 1.00 0.00 O ATOM 885 CB VAL A 74 10.610 -8.693 -4.477 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.090 -9.902 -5.258 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.433 -7.403 -5.281 1.00 0.00 C ATOM 0 H VAL A 74 11.256 -7.004 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 74 8.854 -8.529 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 74 11.677 -8.838 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.593 -9.955 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.290 -10.813 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.016 -9.800 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.929 -7.505 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.371 -7.214 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.873 -6.570 -4.733 1.00 0.00 H new ATOM 897 N VAL A 75 11.311 -9.803 -1.561 1.00 0.00 N ATOM 898 CA VAL A 75 11.672 -10.901 -0.680 1.00 0.00 C ATOM 899 C VAL A 75 10.796 -10.852 0.574 1.00 0.00 C ATOM 900 O VAL A 75 10.451 -11.891 1.135 1.00 0.00 O ATOM 901 CB VAL A 75 13.168 -10.850 -0.366 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.442 -9.979 0.861 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.737 -12.258 -0.178 1.00 0.00 C ATOM 0 H VAL A 75 12.002 -9.054 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 75 11.489 -11.858 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 75 13.674 -10.395 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.513 -9.960 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.090 -8.965 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.918 -10.391 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.802 -12.193 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.223 -12.751 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.591 -12.834 -1.092 1.00 0.00 H new ATOM 913 N ALA A 76 10.462 -9.635 0.977 1.00 0.00 N ATOM 914 CA ALA A 76 9.634 -9.437 2.154 1.00 0.00 C ATOM 915 C ALA A 76 8.241 -10.015 1.895 1.00 0.00 C ATOM 916 O ALA A 76 7.720 -10.777 2.709 1.00 0.00 O ATOM 917 CB ALA A 76 9.591 -7.948 2.504 1.00 0.00 C ATOM 0 H ALA A 76 10.750 -8.776 0.509 1.00 0.00 H new ATOM 0 HA ALA A 76 10.055 -9.961 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.970 -7.800 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.601 -7.593 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.171 -7.390 1.667 1.00 0.00 H new ATOM 923 N VAL A 77 7.678 -9.632 0.759 1.00 0.00 N ATOM 924 CA VAL A 77 6.356 -10.103 0.382 1.00 0.00 C ATOM 925 C VAL A 77 6.414 -11.607 0.106 1.00 0.00 C ATOM 926 O VAL A 77 5.587 -12.366 0.608 1.00 0.00 O ATOM 927 CB VAL A 77 5.832 -9.297 -0.808 1.00 0.00 C ATOM 928 CG1 VAL A 77 6.723 -9.490 -2.036 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.379 -9.662 -1.121 1.00 0.00 C ATOM 0 H VAL A 77 8.113 -9.000 0.087 1.00 0.00 H new ATOM 0 HA VAL A 77 5.650 -9.949 1.198 1.00 0.00 H new ATOM 0 HB VAL A 77 5.861 -8.242 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.328 -8.906 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.735 -9.157 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.742 -10.545 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.031 -9.075 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.314 -10.723 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.755 -9.449 -0.253 1.00 0.00 H new ATOM 939 N CYS A 78 7.401 -11.992 -0.690 1.00 0.00 N ATOM 940 CA CYS A 78 7.578 -13.391 -1.039 1.00 0.00 C ATOM 941 C CYS A 78 7.621 -14.207 0.254 1.00 0.00 C ATOM 942 O CYS A 78 6.910 -15.202 0.389 1.00 0.00 O ATOM 943 CB CYS A 78 8.830 -13.607 -1.892 1.00 0.00 C ATOM 944 SG CYS A 78 8.738 -15.226 -2.740 1.00 0.00 S ATOM 0 H CYS A 78 8.086 -11.359 -1.103 1.00 0.00 H new ATOM 0 HA CYS A 78 6.740 -13.725 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.922 -12.807 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.720 -13.566 -1.264 1.00 0.00 H new ATOM 0 HG CYS A 78 9.805 -15.399 -3.463 1.00 0.00 H new ATOM 950 N GLU A 79 8.462 -13.756 1.173 1.00 0.00 N ATOM 951 CA GLU A 79 8.607 -14.432 2.451 1.00 0.00 C ATOM 952 C GLU A 79 7.345 -14.246 3.296 1.00 0.00 C ATOM 953 O GLU A 79 6.997 -15.113 4.097 1.00 0.00 O ATOM 954 CB GLU A 79 9.845 -13.932 3.198 1.00 0.00 C ATOM 955 CG GLU A 79 11.128 -14.382 2.497 1.00 0.00 C ATOM 956 CD GLU A 79 11.480 -15.824 2.870 1.00 0.00 C ATOM 957 OE1 GLU A 79 10.926 -16.768 2.286 1.00 0.00 O ATOM 958 OE2 GLU A 79 12.363 -15.946 3.802 1.00 0.00 O ATOM 0 H GLU A 79 9.050 -12.931 1.058 1.00 0.00 H new ATOM 0 HA GLU A 79 8.742 -15.497 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.822 -12.844 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.834 -14.309 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.004 -14.302 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.949 -13.720 2.773 1.00 0.00 H new ATOM 966 N GLU A 80 6.694 -13.111 3.088 1.00 0.00 N ATOM 967 CA GLU A 80 5.478 -12.802 3.820 1.00 0.00 C ATOM 968 C GLU A 80 4.338 -13.718 3.369 1.00 0.00 C ATOM 969 O GLU A 80 3.360 -13.900 4.093 1.00 0.00 O ATOM 970 CB GLU A 80 5.097 -11.329 3.652 1.00 0.00 C ATOM 971 CG GLU A 80 3.853 -10.987 4.475 1.00 0.00 C ATOM 972 CD GLU A 80 3.601 -9.478 4.487 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.914 -8.790 3.505 1.00 0.00 O ATOM 974 OE2 GLU A 80 3.059 -9.025 5.567 1.00 0.00 O ATOM 0 H GLU A 80 6.986 -12.395 2.423 1.00 0.00 H new ATOM 0 HA GLU A 80 5.661 -12.978 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.929 -10.697 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.911 -11.116 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.986 -11.501 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.978 -11.346 5.496 1.00 0.00 H new ATOM 982 N LEU A 81 4.503 -14.270 2.176 1.00 0.00 N ATOM 983 CA LEU A 81 3.500 -15.163 1.620 1.00 0.00 C ATOM 984 C LEU A 81 3.730 -16.578 2.157 1.00 0.00 C ATOM 985 O LEU A 81 2.825 -17.411 2.127 1.00 0.00 O ATOM 986 CB LEU A 81 3.495 -15.078 0.093 1.00 0.00 C ATOM 987 CG LEU A 81 2.368 -14.253 -0.529 1.00 0.00 C ATOM 988 CD1 LEU A 81 1.218 -15.153 -0.988 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.893 -13.161 0.432 1.00 0.00 C ATOM 0 H LEU A 81 5.316 -14.116 1.579 1.00 0.00 H new ATOM 0 HA LEU A 81 2.502 -14.860 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.447 -14.658 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.441 -16.090 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 81 2.759 -13.754 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.430 -14.541 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.584 -15.861 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.820 -15.699 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.091 -12.589 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.525 -13.619 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.724 -12.496 0.666 1.00 0.00 H new ATOM 1001 N GLY A 82 4.944 -16.805 2.636 1.00 0.00 N ATOM 1002 CA GLY A 82 5.303 -18.104 3.179 1.00 0.00 C ATOM 1003 C GLY A 82 4.545 -19.225 2.465 1.00 0.00 C ATOM 1004 O GLY A 82 4.107 -20.184 3.099 1.00 0.00 O ATOM 0 H GLY A 82 5.692 -16.111 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.376 -18.262 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.079 -18.131 4.245 1.00 0.00 H new ATOM 1008 N ALA A 83 4.413 -19.067 1.156 1.00 0.00 N ATOM 1009 CA ALA A 83 3.715 -20.054 0.350 1.00 0.00 C ATOM 1010 C ALA A 83 4.718 -20.757 -0.567 1.00 0.00 C ATOM 1011 O ALA A 83 5.578 -20.112 -1.164 1.00 0.00 O ATOM 1012 CB ALA A 83 2.590 -19.372 -0.430 1.00 0.00 C ATOM 0 H ALA A 83 4.778 -18.270 0.634 1.00 0.00 H new ATOM 0 HA ALA A 83 3.258 -20.814 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.066 -20.112 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.890 -18.912 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.011 -18.605 -1.080 1.00 0.00 H new ATOM 1018 N GLU A 84 4.573 -22.072 -0.651 1.00 0.00 N ATOM 1019 CA GLU A 84 5.455 -22.870 -1.486 1.00 0.00 C ATOM 1020 C GLU A 84 4.664 -23.974 -2.190 1.00 0.00 C ATOM 1021 O GLU A 84 5.240 -24.959 -2.649 1.00 0.00 O ATOM 1022 CB GLU A 84 6.604 -23.457 -0.664 1.00 0.00 C ATOM 1023 CG GLU A 84 7.324 -22.366 0.130 1.00 0.00 C ATOM 1024 CD GLU A 84 8.649 -22.881 0.695 1.00 0.00 C ATOM 1025 OE1 GLU A 84 9.600 -22.101 0.856 1.00 0.00 O ATOM 1026 OE2 GLU A 84 8.671 -24.142 0.969 1.00 0.00 O ATOM 0 H GLU A 84 3.858 -22.604 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 84 5.890 -22.221 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.218 -24.214 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.311 -23.957 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.509 -21.506 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.686 -22.024 0.945 1.00 0.00 H new ATOM 1034 N GLU A 85 3.356 -23.773 -2.252 1.00 0.00 N ATOM 1035 CA GLU A 85 2.480 -24.740 -2.893 1.00 0.00 C ATOM 1036 C GLU A 85 1.017 -24.426 -2.570 1.00 0.00 C ATOM 1037 O GLU A 85 0.726 -23.752 -1.583 1.00 0.00 O ATOM 1038 CB GLU A 85 2.839 -26.167 -2.474 1.00 0.00 C ATOM 1039 CG GLU A 85 3.005 -26.268 -0.957 1.00 0.00 C ATOM 1040 CD GLU A 85 3.249 -27.716 -0.527 1.00 0.00 C ATOM 1041 OE1 GLU A 85 2.327 -28.379 -0.030 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.448 -28.149 -0.727 1.00 0.00 O ATOM 0 H GLU A 85 2.881 -22.955 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 85 2.618 -24.667 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.060 -26.854 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.763 -26.473 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.840 -25.644 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.112 -25.884 -0.464 1.00 0.00 H new ATOM 1050 N CYS A 86 0.136 -24.929 -3.422 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.289 -24.710 -3.240 1.00 0.00 C ATOM 1052 C CYS A 86 -1.905 -25.995 -2.682 1.00 0.00 C ATOM 1053 O CYS A 86 -2.405 -26.827 -3.437 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.965 -24.272 -4.541 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.779 -24.462 -4.399 1.00 0.00 S ATOM 0 H CYS A 86 0.381 -25.487 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.447 -23.895 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.716 -23.233 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.593 -24.870 -5.373 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.167 -25.471 -5.121 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.847 -26.116 -1.364 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.393 -27.285 -0.695 1.00 0.00 C ATOM 1062 C PHE A 87 -3.865 -27.488 -1.060 1.00 0.00 C ATOM 1063 O PHE A 87 -4.365 -28.611 -1.033 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.282 -27.033 0.810 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.863 -26.716 1.285 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -0.032 -27.724 1.665 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.431 -25.427 1.327 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.285 -27.430 2.106 1.00 0.00 C ATOM 1069 CE2 PHE A 87 0.887 -25.134 1.768 1.00 0.00 C ATOM 1070 CZ PHE A 87 1.717 -26.141 2.148 1.00 0.00 C ATOM 0 H PHE A 87 -1.430 -25.424 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.845 -28.177 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.938 -26.205 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.645 -27.912 1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.374 -28.748 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.090 -24.626 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.944 -28.230 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.230 -24.110 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.719 -25.918 2.483 1.00 0.00 H new ATOM 1080 N SER A 88 -4.517 -26.384 -1.391 1.00 0.00 N ATOM 1081 CA SER A 88 -5.921 -26.426 -1.760 1.00 0.00 C ATOM 1082 C SER A 88 -6.117 -27.338 -2.973 1.00 0.00 C ATOM 1083 O SER A 88 -7.238 -27.741 -3.277 1.00 0.00 O ATOM 1084 CB SER A 88 -6.455 -25.023 -2.059 1.00 0.00 C ATOM 1085 OG SER A 88 -6.320 -24.151 -0.941 1.00 0.00 O ATOM 0 H SER A 88 -4.098 -25.454 -1.411 1.00 0.00 H new ATOM 0 HA SER A 88 -6.484 -26.827 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.919 -24.605 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.505 -25.088 -2.343 1.00 0.00 H new ATOM 0 HG SER A 88 -6.670 -23.266 -1.173 1.00 0.00 H new ATOM 1091 N CYS A 89 -5.007 -27.637 -3.633 1.00 0.00 N ATOM 1092 CA CYS A 89 -5.042 -28.494 -4.805 1.00 0.00 C ATOM 1093 C CYS A 89 -5.698 -29.820 -4.412 1.00 0.00 C ATOM 1094 O CYS A 89 -6.471 -30.387 -5.183 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.647 -28.701 -5.397 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.342 -27.478 -6.724 1.00 0.00 S ATOM 0 H CYS A 89 -4.078 -27.301 -3.378 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.630 -28.017 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.893 -28.599 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.558 -29.712 -5.795 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.154 -27.661 -7.218 1.00 0.00 H new