USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=15 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 174:sc= 0.706 USER MOD Set 1.2: A 78 CYS SG : rot 164:sc= -3! USER MOD Set 2.1: A 31 CYS SG : rot 146:sc= -7.67! USER MOD Set 2.2: A 34 HIS : no HD1:sc= -26.4! C(o=-41!,f=-40!) USER MOD Set 2.3: A 37 THR OG1 : rot 65:sc= -1.07! USER MOD Set 2.4: A 86 CYS SG : rot -108:sc= -6.5 USER MOD Set 2.5: A 88 SER OG : rot 180:sc= -0.0836 USER MOD Set 2.6: A 89 CYS SG : rot 180:sc= 0.257 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -63:sc= -3.24 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+ -160:sc= 0 (180deg=-0.475) USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= -0.0766 (180deg=-1.16) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.322) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.485 -2.042 -7.031 1.00 0.00 N ATOM 29 CA ALA A 18 4.686 -2.179 -7.837 1.00 0.00 C ATOM 30 C ALA A 18 5.524 -3.343 -7.304 1.00 0.00 C ATOM 31 O ALA A 18 6.061 -4.132 -8.079 1.00 0.00 O ATOM 32 CB ALA A 18 5.456 -0.857 -7.834 1.00 0.00 C ATOM 0 HA ALA A 18 4.429 -2.405 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.357 -0.959 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.828 -0.069 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.732 -0.599 -6.812 1.00 0.00 H new ATOM 38 N VAL A 19 5.608 -3.413 -5.983 1.00 0.00 N ATOM 39 CA VAL A 19 6.371 -4.467 -5.337 1.00 0.00 C ATOM 40 C VAL A 19 5.660 -5.806 -5.545 1.00 0.00 C ATOM 41 O VAL A 19 6.255 -6.757 -6.050 1.00 0.00 O ATOM 42 CB VAL A 19 6.587 -4.127 -3.861 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.253 -4.052 -3.115 1.00 0.00 C ATOM 44 CG2 VAL A 19 7.530 -5.134 -3.199 1.00 0.00 C ATOM 0 H VAL A 19 5.160 -2.757 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 19 7.361 -4.552 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 19 7.056 -3.144 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.435 -3.809 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.628 -3.280 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.745 -5.014 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.667 -4.870 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.101 -6.134 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.495 -5.117 -3.706 1.00 0.00 H new ATOM 54 N TYR A 20 4.398 -5.837 -5.144 1.00 0.00 N ATOM 55 CA TYR A 20 3.599 -7.043 -5.280 1.00 0.00 C ATOM 56 C TYR A 20 3.694 -7.607 -6.700 1.00 0.00 C ATOM 57 O TYR A 20 3.885 -8.808 -6.883 1.00 0.00 O ATOM 58 CB TYR A 20 2.153 -6.625 -5.006 1.00 0.00 C ATOM 59 CG TYR A 20 1.769 -6.649 -3.526 1.00 0.00 C ATOM 60 CD1 TYR A 20 2.199 -7.682 -2.717 1.00 0.00 C ATOM 61 CD2 TYR A 20 0.991 -5.639 -2.998 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.837 -7.705 -1.324 1.00 0.00 C ATOM 63 CE2 TYR A 20 0.629 -5.661 -1.604 1.00 0.00 C ATOM 64 CZ TYR A 20 1.070 -6.693 -0.836 1.00 0.00 C ATOM 65 OH TYR A 20 0.728 -6.715 0.480 1.00 0.00 O ATOM 0 H TYR A 20 3.909 -5.046 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 20 3.949 -7.814 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.996 -5.619 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.484 -7.287 -5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.807 -8.473 -3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.653 -4.831 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.167 -8.507 -0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.021 -4.876 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 20 0.180 -5.930 0.689 1.00 0.00 H new ATOM 75 N ILE A 21 3.556 -6.713 -7.667 1.00 0.00 N ATOM 76 CA ILE A 21 3.624 -7.106 -9.065 1.00 0.00 C ATOM 77 C ILE A 21 5.060 -7.506 -9.408 1.00 0.00 C ATOM 78 O ILE A 21 5.282 -8.390 -10.234 1.00 0.00 O ATOM 79 CB ILE A 21 3.063 -5.999 -9.960 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.492 -6.579 -11.256 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.118 -4.924 -10.230 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.831 -5.488 -12.100 1.00 0.00 C ATOM 0 H ILE A 21 3.397 -5.718 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 21 2.998 -7.979 -9.247 1.00 0.00 H new ATOM 0 HB ILE A 21 2.240 -5.517 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.289 -7.054 -11.828 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.763 -7.354 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.693 -4.149 -10.868 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.437 -4.482 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.977 -5.374 -10.728 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.434 -5.927 -13.015 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.019 -5.032 -11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.569 -4.727 -12.353 1.00 0.00 H new ATOM 94 N ALA A 22 6.000 -6.835 -8.757 1.00 0.00 N ATOM 95 CA ALA A 22 7.408 -7.110 -8.983 1.00 0.00 C ATOM 96 C ALA A 22 7.702 -8.569 -8.630 1.00 0.00 C ATOM 97 O ALA A 22 8.560 -9.200 -9.245 1.00 0.00 O ATOM 98 CB ALA A 22 8.257 -6.131 -8.170 1.00 0.00 C ATOM 0 H ALA A 22 5.813 -6.102 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 22 7.662 -6.968 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.314 -6.338 -8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.033 -5.110 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.031 -6.246 -7.110 1.00 0.00 H new ATOM 104 N ILE A 23 6.973 -9.063 -7.640 1.00 0.00 N ATOM 105 CA ILE A 23 7.145 -10.436 -7.197 1.00 0.00 C ATOM 106 C ILE A 23 6.036 -11.303 -7.795 1.00 0.00 C ATOM 107 O ILE A 23 6.180 -12.521 -7.895 1.00 0.00 O ATOM 108 CB ILE A 23 7.221 -10.501 -5.670 1.00 0.00 C ATOM 109 CG1 ILE A 23 6.376 -11.656 -5.128 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.829 -9.161 -5.044 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.907 -11.247 -4.998 1.00 0.00 C ATOM 0 H ILE A 23 6.262 -8.537 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 23 8.092 -10.837 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 23 8.255 -10.698 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.460 -12.516 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.758 -11.966 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.891 -9.234 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.507 -8.383 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.808 -8.909 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.329 -12.086 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.824 -10.402 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.521 -10.961 -5.976 1.00 0.00 H new ATOM 123 N GLU A 24 4.953 -10.642 -8.178 1.00 0.00 N ATOM 124 CA GLU A 24 3.820 -11.337 -8.763 1.00 0.00 C ATOM 125 C GLU A 24 3.883 -11.263 -10.290 1.00 0.00 C ATOM 126 O GLU A 24 2.946 -11.671 -10.975 1.00 0.00 O ATOM 127 CB GLU A 24 2.499 -10.768 -8.242 1.00 0.00 C ATOM 128 CG GLU A 24 2.254 -11.191 -6.792 1.00 0.00 C ATOM 129 CD GLU A 24 0.771 -11.476 -6.547 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.056 -10.619 -6.007 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.367 -12.637 -6.939 1.00 0.00 O ATOM 0 H GLU A 24 4.837 -9.632 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 24 3.869 -12.385 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.516 -9.680 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.677 -11.114 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.841 -12.081 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.593 -10.405 -6.118 1.00 0.00 H new ATOM 139 N ALA A 25 4.998 -10.740 -10.780 1.00 0.00 N ATOM 140 CA ALA A 25 5.196 -10.607 -12.213 1.00 0.00 C ATOM 141 C ALA A 25 5.568 -11.970 -12.800 1.00 0.00 C ATOM 142 O ALA A 25 5.682 -12.116 -14.016 1.00 0.00 O ATOM 143 CB ALA A 25 6.262 -9.544 -12.485 1.00 0.00 C ATOM 0 H ALA A 25 5.774 -10.403 -10.209 1.00 0.00 H new ATOM 0 HA ALA A 25 4.277 -10.278 -12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.410 -9.444 -13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.936 -8.589 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.200 -9.841 -12.015 1.00 0.00 H new ATOM 149 N GLY A 26 5.748 -12.934 -11.909 1.00 0.00 N ATOM 150 CA GLY A 26 6.105 -14.280 -12.323 1.00 0.00 C ATOM 151 C GLY A 26 6.995 -14.957 -11.279 1.00 0.00 C ATOM 152 O GLY A 26 7.159 -16.176 -11.294 1.00 0.00 O ATOM 0 H GLY A 26 5.653 -12.809 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.201 -14.870 -12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.624 -14.244 -13.281 1.00 0.00 H new ATOM 156 N THR A 27 7.546 -14.137 -10.396 1.00 0.00 N ATOM 157 CA THR A 27 8.415 -14.641 -9.347 1.00 0.00 C ATOM 158 C THR A 27 7.635 -15.558 -8.403 1.00 0.00 C ATOM 159 O THR A 27 8.189 -16.513 -7.860 1.00 0.00 O ATOM 160 CB THR A 27 9.050 -13.441 -8.641 1.00 0.00 C ATOM 161 OG1 THR A 27 10.452 -13.660 -8.777 1.00 0.00 O ATOM 162 CG2 THR A 27 8.815 -13.458 -7.130 1.00 0.00 C ATOM 0 H THR A 27 7.407 -13.127 -10.386 1.00 0.00 H new ATOM 0 HA THR A 27 9.216 -15.255 -9.758 1.00 0.00 H new ATOM 0 HB THR A 27 8.647 -12.519 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.702 -14.483 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.286 -12.585 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.744 -13.437 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.247 -14.364 -6.705 1.00 0.00 H new ATOM 170 N LEU A 28 6.361 -15.235 -8.235 1.00 0.00 N ATOM 171 CA LEU A 28 5.499 -16.018 -7.366 1.00 0.00 C ATOM 172 C LEU A 28 4.311 -16.545 -8.173 1.00 0.00 C ATOM 173 O LEU A 28 3.791 -15.850 -9.045 1.00 0.00 O ATOM 174 CB LEU A 28 5.093 -15.201 -6.137 1.00 0.00 C ATOM 175 CG LEU A 28 5.467 -15.801 -4.780 1.00 0.00 C ATOM 176 CD1 LEU A 28 5.986 -14.721 -3.828 1.00 0.00 C ATOM 177 CD2 LEU A 28 4.293 -16.577 -4.181 1.00 0.00 C ATOM 0 H LEU A 28 5.905 -14.442 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 28 6.034 -16.886 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.550 -14.214 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.013 -15.055 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 28 6.278 -16.513 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.245 -15.174 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.870 -14.251 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.213 -13.968 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.586 -16.993 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.445 -15.906 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.010 -17.386 -4.854 1.00 0.00 H new ATOM 189 N ALA A 29 3.917 -17.769 -7.855 1.00 0.00 N ATOM 190 CA ALA A 29 2.800 -18.398 -8.540 1.00 0.00 C ATOM 191 C ALA A 29 1.795 -18.908 -7.505 1.00 0.00 C ATOM 192 O ALA A 29 2.183 -19.446 -6.470 1.00 0.00 O ATOM 193 CB ALA A 29 3.320 -19.514 -9.447 1.00 0.00 C ATOM 0 H ALA A 29 4.351 -18.342 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 29 2.284 -17.677 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.482 -19.986 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.007 -19.095 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.842 -20.258 -8.846 1.00 0.00 H new ATOM 199 N GLU A 30 0.522 -18.720 -7.822 1.00 0.00 N ATOM 200 CA GLU A 30 -0.542 -19.155 -6.933 1.00 0.00 C ATOM 201 C GLU A 30 -1.700 -19.747 -7.740 1.00 0.00 C ATOM 202 O GLU A 30 -2.002 -19.276 -8.835 1.00 0.00 O ATOM 203 CB GLU A 30 -1.023 -18.002 -6.050 1.00 0.00 C ATOM 204 CG GLU A 30 -1.966 -17.076 -6.821 1.00 0.00 C ATOM 205 CD GLU A 30 -3.424 -17.502 -6.639 1.00 0.00 C ATOM 206 OE1 GLU A 30 -4.183 -17.550 -7.619 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.760 -17.792 -5.428 1.00 0.00 O ATOM 0 H GLU A 30 0.204 -18.273 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.147 -19.932 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.535 -18.400 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.166 -17.434 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.837 -16.050 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.709 -17.090 -7.880 1.00 0.00 H new ATOM 215 N CYS A 31 -2.315 -20.771 -7.168 1.00 0.00 N ATOM 216 CA CYS A 31 -3.432 -21.433 -7.820 1.00 0.00 C ATOM 217 C CYS A 31 -4.528 -20.394 -8.067 1.00 0.00 C ATOM 218 O CYS A 31 -4.997 -19.747 -7.132 1.00 0.00 O ATOM 219 CB CYS A 31 -3.945 -22.619 -7.000 1.00 0.00 C ATOM 220 SG CYS A 31 -4.160 -24.080 -8.081 1.00 0.00 S ATOM 0 H CYS A 31 -2.061 -21.159 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.105 -21.849 -8.773 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.242 -22.849 -6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.894 -22.363 -6.528 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.883 -25.160 -7.412 1.00 0.00 H new ATOM 225 N GLU A 32 -4.904 -20.266 -9.331 1.00 0.00 N ATOM 226 CA GLU A 32 -5.936 -19.317 -9.712 1.00 0.00 C ATOM 227 C GLU A 32 -7.323 -19.897 -9.427 1.00 0.00 C ATOM 228 O GLU A 32 -8.334 -19.228 -9.633 1.00 0.00 O ATOM 229 CB GLU A 32 -5.799 -18.921 -11.184 1.00 0.00 C ATOM 230 CG GLU A 32 -6.055 -20.119 -12.100 1.00 0.00 C ATOM 231 CD GLU A 32 -5.916 -19.724 -13.572 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.160 -20.364 -14.318 1.00 0.00 O ATOM 233 OE2 GLU A 32 -6.630 -18.712 -13.934 1.00 0.00 O ATOM 0 H GLU A 32 -4.512 -20.804 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.812 -18.415 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.504 -18.123 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.800 -18.526 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.351 -20.917 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.055 -20.513 -11.918 1.00 0.00 H new ATOM 241 N VAL A 33 -7.326 -21.136 -8.957 1.00 0.00 N ATOM 242 CA VAL A 33 -8.572 -21.814 -8.642 1.00 0.00 C ATOM 243 C VAL A 33 -8.718 -21.921 -7.123 1.00 0.00 C ATOM 244 O VAL A 33 -9.768 -22.323 -6.624 1.00 0.00 O ATOM 245 CB VAL A 33 -8.621 -23.172 -9.345 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.236 -23.576 -9.855 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.200 -24.246 -8.421 1.00 0.00 C ATOM 0 H VAL A 33 -6.485 -21.688 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.423 -21.242 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.281 -23.080 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.299 -24.545 -10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.877 -22.829 -10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.544 -23.642 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.224 -25.202 -8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.577 -24.335 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.212 -23.967 -8.128 1.00 0.00 H new ATOM 257 N HIS A 34 -7.650 -21.555 -6.430 1.00 0.00 N ATOM 258 CA HIS A 34 -7.647 -21.605 -4.978 1.00 0.00 C ATOM 259 C HIS A 34 -7.161 -20.266 -4.419 1.00 0.00 C ATOM 260 O HIS A 34 -5.958 -20.019 -4.347 1.00 0.00 O ATOM 261 CB HIS A 34 -6.821 -22.791 -4.477 1.00 0.00 C ATOM 262 CG HIS A 34 -6.848 -23.989 -5.395 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.632 -23.894 -6.758 1.00 0.00 N ATOM 264 CD2 HIS A 34 -7.066 -25.310 -5.131 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.720 -25.108 -7.282 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.990 -25.984 -6.271 1.00 0.00 N ATOM 0 H HIS A 34 -6.781 -21.223 -6.847 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.662 -21.764 -4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.788 -22.471 -4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.190 -23.089 -3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.266 -25.735 -4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.599 -25.360 -8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.113 -26.991 -6.375 1.00 0.00 H new ATOM 274 N GLU A 35 -8.121 -19.436 -4.039 1.00 0.00 N ATOM 275 CA GLU A 35 -7.806 -18.128 -3.489 1.00 0.00 C ATOM 276 C GLU A 35 -7.222 -18.271 -2.082 1.00 0.00 C ATOM 277 O GLU A 35 -7.856 -18.846 -1.198 1.00 0.00 O ATOM 278 CB GLU A 35 -9.040 -17.225 -3.482 1.00 0.00 C ATOM 279 CG GLU A 35 -9.911 -17.496 -2.253 1.00 0.00 C ATOM 280 CD GLU A 35 -11.214 -16.695 -2.317 1.00 0.00 C ATOM 281 OE1 GLU A 35 -11.324 -15.754 -3.117 1.00 0.00 O ATOM 282 OE2 GLU A 35 -12.132 -17.082 -1.497 1.00 0.00 O ATOM 0 H GLU A 35 -9.118 -19.644 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.057 -17.658 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.730 -16.180 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.622 -17.391 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.137 -18.560 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.362 -17.233 -1.349 1.00 0.00 H new ATOM 290 N GLY A 36 -6.021 -17.736 -1.917 1.00 0.00 N ATOM 291 CA GLY A 36 -5.345 -17.797 -0.632 1.00 0.00 C ATOM 292 C GLY A 36 -4.145 -18.744 -0.688 1.00 0.00 C ATOM 293 O GLY A 36 -3.200 -18.600 0.086 1.00 0.00 O ATOM 0 H GLY A 36 -5.499 -17.258 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.012 -16.800 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.043 -18.134 0.134 1.00 0.00 H new ATOM 297 N THR A 37 -4.221 -19.691 -1.611 1.00 0.00 N ATOM 298 CA THR A 37 -3.153 -20.661 -1.778 1.00 0.00 C ATOM 299 C THR A 37 -2.116 -20.146 -2.779 1.00 0.00 C ATOM 300 O THR A 37 -2.422 -19.960 -3.955 1.00 0.00 O ATOM 301 CB THR A 37 -3.784 -21.993 -2.189 1.00 0.00 C ATOM 302 OG1 THR A 37 -5.155 -21.674 -2.413 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.820 -23.003 -1.040 1.00 0.00 C ATOM 0 H THR A 37 -5.006 -19.807 -2.251 1.00 0.00 H new ATOM 0 HA THR A 37 -2.610 -20.816 -0.846 1.00 0.00 H new ATOM 0 HB THR A 37 -3.228 -22.415 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.228 -21.064 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.277 -23.930 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.804 -23.204 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.405 -22.595 -0.215 1.00 0.00 H new ATOM 311 N TYR A 38 -0.910 -19.930 -2.274 1.00 0.00 N ATOM 312 CA TYR A 38 0.173 -19.440 -3.108 1.00 0.00 C ATOM 313 C TYR A 38 1.401 -20.346 -3.000 1.00 0.00 C ATOM 314 O TYR A 38 1.412 -21.292 -2.214 1.00 0.00 O ATOM 315 CB TYR A 38 0.528 -18.054 -2.567 1.00 0.00 C ATOM 316 CG TYR A 38 -0.234 -16.910 -3.238 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.613 -16.936 -3.289 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.457 -15.852 -3.793 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.331 -15.859 -3.921 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.261 -14.775 -4.425 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.620 -14.832 -4.457 1.00 0.00 C ATOM 322 OH TYR A 38 -2.298 -13.815 -5.054 1.00 0.00 O ATOM 0 H TYR A 38 -0.660 -20.086 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.130 -19.415 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.328 -18.031 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.598 -17.888 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.154 -17.764 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.536 -15.832 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.410 -15.867 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.267 -13.941 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.661 -13.151 -5.391 1.00 0.00 H new ATOM 332 N PHE A 39 2.406 -20.026 -3.802 1.00 0.00 N ATOM 333 CA PHE A 39 3.636 -20.799 -3.806 1.00 0.00 C ATOM 334 C PHE A 39 4.706 -20.123 -4.667 1.00 0.00 C ATOM 335 O PHE A 39 4.518 -19.943 -5.869 1.00 0.00 O ATOM 336 CB PHE A 39 3.303 -22.166 -4.407 1.00 0.00 C ATOM 337 CG PHE A 39 3.173 -22.160 -5.932 1.00 0.00 C ATOM 338 CD1 PHE A 39 4.275 -22.338 -6.709 1.00 0.00 C ATOM 339 CD2 PHE A 39 1.956 -21.976 -6.510 1.00 0.00 C ATOM 340 CE1 PHE A 39 4.155 -22.333 -8.124 1.00 0.00 C ATOM 341 CE2 PHE A 39 1.836 -21.971 -7.925 1.00 0.00 C ATOM 342 CZ PHE A 39 2.937 -22.149 -8.702 1.00 0.00 C ATOM 0 H PHE A 39 2.393 -19.241 -4.454 1.00 0.00 H new ATOM 0 HA PHE A 39 4.025 -20.884 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.079 -22.876 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.369 -22.524 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.242 -22.483 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.081 -21.834 -5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.030 -22.475 -8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.869 -21.826 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.845 -22.144 -9.778 1.00 0.00 H new ATOM 352 N SER A 40 5.805 -19.768 -4.018 1.00 0.00 N ATOM 353 CA SER A 40 6.905 -19.116 -4.709 1.00 0.00 C ATOM 354 C SER A 40 7.922 -20.160 -5.174 1.00 0.00 C ATOM 355 O SER A 40 8.049 -21.222 -4.568 1.00 0.00 O ATOM 356 CB SER A 40 7.581 -18.079 -3.811 1.00 0.00 C ATOM 357 OG SER A 40 8.504 -18.677 -2.905 1.00 0.00 O ATOM 0 H SER A 40 5.958 -19.919 -3.021 1.00 0.00 H new ATOM 0 HA SER A 40 6.504 -18.597 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.102 -17.349 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.821 -17.536 -3.249 1.00 0.00 H new ATOM 0 HG SER A 40 8.984 -17.976 -2.416 1.00 0.00 H new ATOM 363 N ASP A 41 8.622 -19.820 -6.247 1.00 0.00 N ATOM 364 CA ASP A 41 9.624 -20.715 -6.801 1.00 0.00 C ATOM 365 C ASP A 41 10.541 -21.204 -5.678 1.00 0.00 C ATOM 366 O ASP A 41 11.503 -20.527 -5.318 1.00 0.00 O ATOM 367 CB ASP A 41 10.489 -19.997 -7.839 1.00 0.00 C ATOM 368 CG ASP A 41 10.789 -20.807 -9.101 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.671 -21.680 -9.106 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.065 -20.509 -10.126 1.00 0.00 O ATOM 0 H ASP A 41 8.515 -18.937 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 41 9.107 -21.548 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.990 -19.072 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.433 -19.717 -7.372 1.00 0.00 H new ATOM 376 N SER A 42 10.210 -22.375 -5.155 1.00 0.00 N ATOM 377 CA SER A 42 10.992 -22.963 -4.080 1.00 0.00 C ATOM 378 C SER A 42 12.351 -23.421 -4.612 1.00 0.00 C ATOM 379 O SER A 42 12.441 -23.964 -5.712 1.00 0.00 O ATOM 380 CB SER A 42 10.250 -24.137 -3.438 1.00 0.00 C ATOM 381 OG SER A 42 11.142 -25.047 -2.800 1.00 0.00 O ATOM 0 H SER A 42 9.411 -22.933 -5.455 1.00 0.00 H new ATOM 0 HA SER A 42 11.146 -22.203 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.535 -23.758 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.678 -24.665 -4.201 1.00 0.00 H new ATOM 0 HG SER A 42 10.630 -25.781 -2.401 1.00 0.00 H new ATOM 387 N GLY A 43 13.376 -23.184 -3.806 1.00 0.00 N ATOM 388 CA GLY A 43 14.727 -23.566 -4.182 1.00 0.00 C ATOM 389 C GLY A 43 15.586 -22.332 -4.468 1.00 0.00 C ATOM 390 O GLY A 43 16.806 -22.373 -4.319 1.00 0.00 O ATOM 0 H GLY A 43 13.298 -22.733 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.180 -24.151 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.696 -24.205 -5.065 1.00 0.00 H new ATOM 394 N ASP A 44 14.914 -21.265 -4.875 1.00 0.00 N ATOM 395 CA ASP A 44 15.600 -20.022 -5.183 1.00 0.00 C ATOM 396 C ASP A 44 14.720 -18.842 -4.769 1.00 0.00 C ATOM 397 O ASP A 44 14.000 -18.279 -5.593 1.00 0.00 O ATOM 398 CB ASP A 44 15.875 -19.902 -6.684 1.00 0.00 C ATOM 399 CG ASP A 44 16.940 -18.872 -7.066 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.332 -18.025 -6.249 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.377 -18.963 -8.276 1.00 0.00 O ATOM 0 H ASP A 44 13.902 -21.236 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 44 16.546 -20.016 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.183 -20.877 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.944 -19.644 -7.189 1.00 0.00 H new ATOM 407 N ILE A 45 14.805 -18.501 -3.491 1.00 0.00 N ATOM 408 CA ILE A 45 14.025 -17.398 -2.957 1.00 0.00 C ATOM 409 C ILE A 45 14.593 -16.077 -3.480 1.00 0.00 C ATOM 410 O ILE A 45 13.854 -15.112 -3.673 1.00 0.00 O ATOM 411 CB ILE A 45 13.960 -17.477 -1.430 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.742 -18.284 -0.975 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.988 -16.080 -0.807 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.498 -17.397 -0.887 1.00 0.00 C ATOM 0 H ILE A 45 15.402 -18.970 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 45 12.993 -17.461 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 45 14.846 -18.004 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.561 -19.101 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.942 -18.734 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.941 -16.165 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.910 -15.573 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.133 -15.505 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.647 -17.995 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.673 -16.595 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.287 -16.968 -1.867 1.00 0.00 H new ATOM 426 N SER A 46 15.900 -16.075 -3.695 1.00 0.00 N ATOM 427 CA SER A 46 16.575 -14.888 -4.192 1.00 0.00 C ATOM 428 C SER A 46 16.022 -14.509 -5.567 1.00 0.00 C ATOM 429 O SER A 46 16.095 -13.349 -5.971 1.00 0.00 O ATOM 430 CB SER A 46 18.087 -15.107 -4.271 1.00 0.00 C ATOM 431 OG SER A 46 18.672 -15.264 -2.981 1.00 0.00 O ATOM 0 H SER A 46 16.510 -16.877 -3.534 1.00 0.00 H new ATOM 0 HA SER A 46 16.389 -14.071 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.294 -15.992 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.550 -14.261 -4.778 1.00 0.00 H new ATOM 0 HG SER A 46 19.638 -15.403 -3.074 1.00 0.00 H new ATOM 437 N GLU A 47 15.480 -15.508 -6.248 1.00 0.00 N ATOM 438 CA GLU A 47 14.915 -15.293 -7.569 1.00 0.00 C ATOM 439 C GLU A 47 13.809 -14.237 -7.508 1.00 0.00 C ATOM 440 O GLU A 47 13.514 -13.584 -8.508 1.00 0.00 O ATOM 441 CB GLU A 47 14.389 -16.603 -8.160 1.00 0.00 C ATOM 442 CG GLU A 47 13.602 -16.347 -9.447 1.00 0.00 C ATOM 443 CD GLU A 47 14.008 -17.334 -10.544 1.00 0.00 C ATOM 444 OE1 GLU A 47 13.168 -17.728 -11.366 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.248 -17.691 -10.524 1.00 0.00 O ATOM 0 H GLU A 47 15.420 -16.468 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 47 15.705 -14.927 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.223 -17.274 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.750 -17.104 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.534 -16.438 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.777 -15.327 -9.788 1.00 0.00 H new ATOM 453 N ALA A 48 13.228 -14.103 -6.325 1.00 0.00 N ATOM 454 CA ALA A 48 12.162 -13.137 -6.121 1.00 0.00 C ATOM 455 C ALA A 48 12.708 -11.726 -6.346 1.00 0.00 C ATOM 456 O ALA A 48 12.123 -10.942 -7.092 1.00 0.00 O ATOM 457 CB ALA A 48 11.571 -13.317 -4.721 1.00 0.00 C ATOM 0 H ALA A 48 13.475 -14.647 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 48 11.357 -13.297 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.771 -12.592 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.170 -14.326 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.350 -13.161 -3.974 1.00 0.00 H new ATOM 463 N GLU A 49 13.822 -11.445 -5.687 1.00 0.00 N ATOM 464 CA GLU A 49 14.454 -10.142 -5.806 1.00 0.00 C ATOM 465 C GLU A 49 15.062 -9.971 -7.200 1.00 0.00 C ATOM 466 O GLU A 49 15.019 -8.883 -7.771 1.00 0.00 O ATOM 467 CB GLU A 49 15.512 -9.943 -4.719 1.00 0.00 C ATOM 468 CG GLU A 49 16.543 -11.073 -4.745 1.00 0.00 C ATOM 469 CD GLU A 49 17.806 -10.680 -3.976 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.714 -10.049 -2.913 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.914 -11.055 -4.521 1.00 0.00 O ATOM 0 H GLU A 49 14.304 -12.098 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 49 13.690 -9.377 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.012 -8.986 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.032 -9.906 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.112 -11.974 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.801 -11.312 -5.777 1.00 0.00 H new ATOM 479 N GLU A 50 15.614 -11.064 -7.707 1.00 0.00 N ATOM 480 CA GLU A 50 16.230 -11.049 -9.023 1.00 0.00 C ATOM 481 C GLU A 50 15.201 -10.659 -10.086 1.00 0.00 C ATOM 482 O GLU A 50 15.379 -9.668 -10.793 1.00 0.00 O ATOM 483 CB GLU A 50 16.865 -12.403 -9.346 1.00 0.00 C ATOM 484 CG GLU A 50 18.248 -12.527 -8.703 1.00 0.00 C ATOM 485 CD GLU A 50 19.334 -11.974 -9.629 1.00 0.00 C ATOM 486 OE1 GLU A 50 20.103 -12.750 -10.215 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.363 -10.688 -9.728 1.00 0.00 O ATOM 0 H GLU A 50 15.647 -11.965 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 50 17.024 -10.303 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 50 16.220 -13.206 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.950 -12.520 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.263 -11.987 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.456 -13.573 -8.477 1.00 0.00 H new ATOM 495 N LEU A 51 14.147 -11.458 -10.166 1.00 0.00 N ATOM 496 CA LEU A 51 13.090 -11.209 -11.131 1.00 0.00 C ATOM 497 C LEU A 51 12.500 -9.819 -10.886 1.00 0.00 C ATOM 498 O LEU A 51 12.162 -9.108 -11.832 1.00 0.00 O ATOM 499 CB LEU A 51 12.053 -12.333 -11.092 1.00 0.00 C ATOM 500 CG LEU A 51 12.454 -13.640 -11.779 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.731 -14.833 -11.152 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.224 -13.559 -13.290 1.00 0.00 C ATOM 0 H LEU A 51 14.003 -12.279 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 51 13.491 -11.212 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.821 -12.550 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.135 -11.970 -11.554 1.00 0.00 H new ATOM 0 HG LEU A 51 13.522 -13.793 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.034 -15.749 -11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.989 -14.900 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.654 -14.701 -11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.517 -14.501 -13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.169 -13.370 -13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.822 -12.748 -13.706 1.00 0.00 H new ATOM 514 N ALA A 52 12.393 -9.472 -9.612 1.00 0.00 N ATOM 515 CA ALA A 52 11.849 -8.180 -9.231 1.00 0.00 C ATOM 516 C ALA A 52 12.793 -7.074 -9.706 1.00 0.00 C ATOM 517 O ALA A 52 12.347 -5.990 -10.081 1.00 0.00 O ATOM 518 CB ALA A 52 11.627 -8.145 -7.717 1.00 0.00 C ATOM 0 H ALA A 52 12.674 -10.064 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 52 10.882 -8.016 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.219 -7.175 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.927 -8.931 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.577 -8.303 -7.206 1.00 0.00 H new ATOM 524 N ARG A 53 14.081 -7.385 -9.676 1.00 0.00 N ATOM 525 CA ARG A 53 15.091 -6.431 -10.100 1.00 0.00 C ATOM 526 C ARG A 53 14.952 -6.139 -11.595 1.00 0.00 C ATOM 527 O ARG A 53 15.028 -4.985 -12.016 1.00 0.00 O ATOM 528 CB ARG A 53 16.500 -6.959 -9.819 1.00 0.00 C ATOM 529 CG ARG A 53 17.014 -6.458 -8.468 1.00 0.00 C ATOM 530 CD ARG A 53 18.505 -6.758 -8.304 1.00 0.00 C ATOM 531 NE ARG A 53 19.251 -6.283 -9.491 1.00 0.00 N ATOM 532 CZ ARG A 53 19.702 -5.030 -9.643 1.00 0.00 C ATOM 533 NH1 ARG A 53 19.486 -4.119 -8.684 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.369 -4.688 -10.754 1.00 0.00 N ATOM 0 H ARG A 53 14.448 -8.284 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 53 14.939 -5.513 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.492 -8.049 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 53 17.177 -6.639 -10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.844 -5.384 -8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.453 -6.932 -7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.886 -6.271 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.657 -7.830 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 53 19.433 -6.951 -10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.978 -4.379 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.829 -3.165 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.533 -5.381 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.712 -3.734 -10.870 1.00 0.00 H new ATOM 548 N GLU A 54 14.751 -7.204 -12.357 1.00 0.00 N ATOM 549 CA GLU A 54 14.600 -7.077 -13.797 1.00 0.00 C ATOM 550 C GLU A 54 13.247 -6.449 -14.136 1.00 0.00 C ATOM 551 O GLU A 54 13.185 -5.434 -14.828 1.00 0.00 O ATOM 552 CB GLU A 54 14.764 -8.432 -14.487 1.00 0.00 C ATOM 553 CG GLU A 54 14.797 -8.272 -16.009 1.00 0.00 C ATOM 554 CD GLU A 54 14.626 -9.623 -16.706 1.00 0.00 C ATOM 555 OE1 GLU A 54 14.340 -10.631 -16.043 1.00 0.00 O ATOM 556 OE2 GLU A 54 14.800 -9.603 -17.984 1.00 0.00 O ATOM 0 H GLU A 54 14.689 -8.159 -12.004 1.00 0.00 H new ATOM 0 HA GLU A 54 15.386 -6.420 -14.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.684 -8.908 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.942 -9.090 -14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.004 -7.593 -16.324 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.742 -7.820 -16.310 1.00 0.00 H new ATOM 564 N LYS A 55 12.196 -7.079 -13.632 1.00 0.00 N ATOM 565 CA LYS A 55 10.847 -6.595 -13.873 1.00 0.00 C ATOM 566 C LYS A 55 10.766 -5.115 -13.493 1.00 0.00 C ATOM 567 O LYS A 55 10.327 -4.289 -14.291 1.00 0.00 O ATOM 568 CB LYS A 55 9.825 -7.473 -13.147 1.00 0.00 C ATOM 569 CG LYS A 55 9.408 -8.661 -14.016 1.00 0.00 C ATOM 570 CD LYS A 55 10.565 -9.647 -14.188 1.00 0.00 C ATOM 571 CE LYS A 55 10.262 -10.659 -15.295 1.00 0.00 C ATOM 572 NZ LYS A 55 9.320 -11.692 -14.810 1.00 0.00 N ATOM 0 H LYS A 55 12.251 -7.920 -13.058 1.00 0.00 H new ATOM 0 HA LYS A 55 10.600 -6.667 -14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.250 -7.834 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.947 -6.880 -12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.558 -9.169 -13.561 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.081 -8.305 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.479 -9.103 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.743 -10.172 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.836 -10.146 -16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.187 -11.130 -15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.382 -12.532 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.564 -11.954 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.350 -11.317 -14.835 1.00 0.00 H new ATOM 586 N PHE A 56 11.196 -4.825 -12.273 1.00 0.00 N ATOM 587 CA PHE A 56 11.177 -3.459 -11.778 1.00 0.00 C ATOM 588 C PHE A 56 12.149 -2.577 -12.565 1.00 0.00 C ATOM 589 O PHE A 56 11.911 -1.382 -12.734 1.00 0.00 O ATOM 590 CB PHE A 56 11.621 -3.508 -10.315 1.00 0.00 C ATOM 591 CG PHE A 56 11.506 -2.168 -9.585 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.427 -1.192 -9.806 1.00 0.00 C ATOM 593 CD2 PHE A 56 10.483 -1.954 -8.715 1.00 0.00 C ATOM 594 CE1 PHE A 56 12.320 0.051 -9.128 1.00 0.00 C ATOM 595 CE2 PHE A 56 10.376 -0.710 -8.037 1.00 0.00 C ATOM 596 CZ PHE A 56 11.297 0.266 -8.258 1.00 0.00 C ATOM 0 H PHE A 56 11.559 -5.513 -11.613 1.00 0.00 H new ATOM 0 HA PHE A 56 10.178 -3.038 -11.886 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.021 -4.250 -9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.656 -3.846 -10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.239 -1.362 -10.497 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.752 -2.729 -8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.051 0.826 -9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.563 -0.539 -7.346 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.216 1.212 -7.743 1.00 0.00 H new ATOM 606 N GLU A 57 13.224 -3.201 -13.025 1.00 0.00 N ATOM 607 CA GLU A 57 14.233 -2.488 -13.790 1.00 0.00 C ATOM 608 C GLU A 57 13.661 -2.044 -15.138 1.00 0.00 C ATOM 609 O GLU A 57 14.088 -1.033 -15.694 1.00 0.00 O ATOM 610 CB GLU A 57 15.484 -3.346 -13.980 1.00 0.00 C ATOM 611 CG GLU A 57 16.329 -2.833 -15.148 1.00 0.00 C ATOM 612 CD GLU A 57 15.907 -3.492 -16.462 1.00 0.00 C ATOM 613 OE1 GLU A 57 15.977 -4.724 -16.588 1.00 0.00 O ATOM 614 OE2 GLU A 57 15.493 -2.678 -17.373 1.00 0.00 O ATOM 0 H GLU A 57 13.418 -4.192 -12.883 1.00 0.00 H new ATOM 0 HA GLU A 57 14.525 -1.599 -13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.078 -3.337 -13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.195 -4.381 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.224 -1.751 -15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.382 -3.037 -14.957 1.00 0.00 H new ATOM 622 N LYS A 58 12.705 -2.822 -15.624 1.00 0.00 N ATOM 623 CA LYS A 58 12.071 -2.521 -16.897 1.00 0.00 C ATOM 624 C LYS A 58 10.747 -1.799 -16.644 1.00 0.00 C ATOM 625 O LYS A 58 10.008 -1.503 -17.582 1.00 0.00 O ATOM 626 CB LYS A 58 11.928 -3.792 -17.737 1.00 0.00 C ATOM 627 CG LYS A 58 13.267 -4.521 -17.861 1.00 0.00 C ATOM 628 CD LYS A 58 13.064 -5.966 -18.323 1.00 0.00 C ATOM 629 CE LYS A 58 12.686 -6.020 -19.804 1.00 0.00 C ATOM 630 NZ LYS A 58 11.218 -5.924 -19.968 1.00 0.00 N ATOM 0 H LYS A 58 12.354 -3.660 -15.160 1.00 0.00 H new ATOM 0 HA LYS A 58 12.695 -1.847 -17.484 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.191 -4.453 -17.280 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.556 -3.536 -18.729 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.907 -3.995 -18.570 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.781 -4.512 -16.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.978 -6.537 -18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.282 -6.436 -17.727 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.172 -5.204 -20.339 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.047 -6.950 -20.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.896 -6.646 -20.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.755 -6.079 -19.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.970 -4.980 -20.326 1.00 0.00 H new ATOM 754 N VAL A 67 16.111 0.859 -5.087 1.00 0.00 N ATOM 755 CA VAL A 67 15.993 -0.420 -5.768 1.00 0.00 C ATOM 756 C VAL A 67 16.250 -1.549 -4.769 1.00 0.00 C ATOM 757 O VAL A 67 15.388 -2.399 -4.551 1.00 0.00 O ATOM 758 CB VAL A 67 16.936 -0.460 -6.972 1.00 0.00 C ATOM 759 CG1 VAL A 67 16.686 -1.708 -7.821 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.805 0.811 -7.814 1.00 0.00 C ATOM 0 HA VAL A 67 14.984 -0.554 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 67 17.958 -0.508 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 67 17.369 -1.713 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.853 -2.599 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 15.658 -1.702 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.486 0.757 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.781 0.904 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.055 1.679 -7.204 1.00 0.00 H new ATOM 770 N GLU A 68 17.441 -1.523 -4.188 1.00 0.00 N ATOM 771 CA GLU A 68 17.822 -2.535 -3.217 1.00 0.00 C ATOM 772 C GLU A 68 16.718 -2.712 -2.173 1.00 0.00 C ATOM 773 O GLU A 68 16.406 -3.834 -1.779 1.00 0.00 O ATOM 774 CB GLU A 68 19.154 -2.181 -2.552 1.00 0.00 C ATOM 775 CG GLU A 68 18.941 -1.246 -1.360 1.00 0.00 C ATOM 776 CD GLU A 68 20.272 -0.897 -0.692 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.284 -1.572 -0.936 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.233 0.116 0.106 1.00 0.00 O ATOM 0 H GLU A 68 18.154 -0.817 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 68 17.954 -3.482 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.652 -3.092 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.812 -1.705 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.447 -0.333 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.280 -1.720 -0.635 1.00 0.00 H new ATOM 786 N GLU A 69 16.157 -1.586 -1.755 1.00 0.00 N ATOM 787 CA GLU A 69 15.095 -1.603 -0.764 1.00 0.00 C ATOM 788 C GLU A 69 13.826 -2.221 -1.356 1.00 0.00 C ATOM 789 O GLU A 69 13.134 -2.986 -0.688 1.00 0.00 O ATOM 790 CB GLU A 69 14.821 -0.196 -0.229 1.00 0.00 C ATOM 791 CG GLU A 69 13.951 -0.247 1.028 1.00 0.00 C ATOM 792 CD GLU A 69 13.928 1.110 1.734 1.00 0.00 C ATOM 793 OE1 GLU A 69 14.721 1.342 2.659 1.00 0.00 O ATOM 794 OE2 GLU A 69 13.047 1.941 1.290 1.00 0.00 O ATOM 0 H GLU A 69 16.418 -0.657 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 69 15.418 -2.219 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.764 0.301 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.324 0.398 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.936 -0.539 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.333 -1.008 1.708 1.00 0.00 H new ATOM 802 N LEU A 70 13.561 -1.865 -2.605 1.00 0.00 N ATOM 803 CA LEU A 70 12.388 -2.374 -3.295 1.00 0.00 C ATOM 804 C LEU A 70 12.479 -3.898 -3.388 1.00 0.00 C ATOM 805 O LEU A 70 11.558 -4.605 -2.980 1.00 0.00 O ATOM 806 CB LEU A 70 12.222 -1.683 -4.650 1.00 0.00 C ATOM 807 CG LEU A 70 10.783 -1.493 -5.133 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.344 -2.658 -6.022 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.831 -1.282 -3.954 1.00 0.00 C ATOM 0 H LEU A 70 14.139 -1.230 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 70 11.484 -2.142 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.699 -0.704 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.763 -2.261 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 70 10.745 -0.590 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.317 -2.498 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.999 -2.719 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.403 -3.589 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.815 -1.150 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.867 -2.151 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.132 -0.394 -3.397 1.00 0.00 H new ATOM 821 N VAL A 71 13.597 -4.361 -3.928 1.00 0.00 N ATOM 822 CA VAL A 71 13.820 -5.788 -4.081 1.00 0.00 C ATOM 823 C VAL A 71 13.689 -6.469 -2.717 1.00 0.00 C ATOM 824 O VAL A 71 13.114 -7.551 -2.612 1.00 0.00 O ATOM 825 CB VAL A 71 15.174 -6.038 -4.747 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.180 -5.525 -6.188 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.308 -5.408 -3.936 1.00 0.00 C ATOM 0 H VAL A 71 14.359 -3.772 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 71 13.066 -6.224 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 71 15.340 -7.115 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.154 -5.715 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.409 -6.040 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.981 -4.453 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.260 -5.600 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.148 -4.332 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.325 -5.842 -2.936 1.00 0.00 H new ATOM 837 N LYS A 72 14.232 -5.806 -1.706 1.00 0.00 N ATOM 838 CA LYS A 72 14.184 -6.334 -0.353 1.00 0.00 C ATOM 839 C LYS A 72 12.725 -6.548 0.054 1.00 0.00 C ATOM 840 O LYS A 72 12.389 -7.560 0.667 1.00 0.00 O ATOM 841 CB LYS A 72 14.963 -5.429 0.603 1.00 0.00 C ATOM 842 CG LYS A 72 16.471 -5.584 0.398 1.00 0.00 C ATOM 843 CD LYS A 72 17.225 -4.359 0.921 1.00 0.00 C ATOM 844 CE LYS A 72 18.736 -4.598 0.907 1.00 0.00 C ATOM 845 NZ LYS A 72 19.449 -3.438 1.487 1.00 0.00 N ATOM 0 H LYS A 72 14.707 -4.908 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 72 14.675 -7.306 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.675 -4.390 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.705 -5.675 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.821 -6.478 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.685 -5.722 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.985 -3.491 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.898 -4.132 1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.973 -5.499 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.074 -4.766 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.411 -3.391 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.937 -2.563 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.500 -3.543 2.520 1.00 0.00 H new ATOM 859 N LYS A 73 11.896 -5.577 -0.302 1.00 0.00 N ATOM 860 CA LYS A 73 10.481 -5.647 0.019 1.00 0.00 C ATOM 861 C LYS A 73 9.829 -6.759 -0.805 1.00 0.00 C ATOM 862 O LYS A 73 8.844 -7.359 -0.376 1.00 0.00 O ATOM 863 CB LYS A 73 9.822 -4.278 -0.167 1.00 0.00 C ATOM 864 CG LYS A 73 9.835 -3.482 1.139 1.00 0.00 C ATOM 865 CD LYS A 73 11.257 -3.351 1.688 1.00 0.00 C ATOM 866 CE LYS A 73 11.244 -2.834 3.127 1.00 0.00 C ATOM 867 NZ LYS A 73 12.529 -3.134 3.798 1.00 0.00 N ATOM 0 H LYS A 73 12.178 -4.738 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 73 10.341 -5.904 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.347 -3.720 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.795 -4.408 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.414 -2.491 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.201 -3.975 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.756 -4.319 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.832 -2.672 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.067 -1.758 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.423 -3.294 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.503 -2.776 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.682 -4.163 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.306 -2.674 3.281 1.00 0.00 H new ATOM 881 N VAL A 74 10.405 -7.002 -1.973 1.00 0.00 N ATOM 882 CA VAL A 74 9.893 -8.033 -2.860 1.00 0.00 C ATOM 883 C VAL A 74 10.115 -9.405 -2.222 1.00 0.00 C ATOM 884 O VAL A 74 9.166 -10.161 -2.020 1.00 0.00 O ATOM 885 CB VAL A 74 10.540 -7.903 -4.241 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.188 -9.101 -5.125 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.139 -6.589 -4.913 1.00 0.00 C ATOM 0 H VAL A 74 11.221 -6.503 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 74 8.820 -7.913 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 74 11.621 -7.893 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.660 -8.984 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.546 -10.017 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.107 -9.156 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.612 -6.522 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.056 -6.556 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.463 -5.751 -4.296 1.00 0.00 H new ATOM 897 N VAL A 75 11.375 -9.687 -1.923 1.00 0.00 N ATOM 898 CA VAL A 75 11.734 -10.956 -1.313 1.00 0.00 C ATOM 899 C VAL A 75 11.007 -11.095 0.027 1.00 0.00 C ATOM 900 O VAL A 75 10.629 -12.198 0.419 1.00 0.00 O ATOM 901 CB VAL A 75 13.254 -11.062 -1.182 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.738 -10.432 0.126 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.714 -12.517 -1.292 1.00 0.00 C ATOM 0 H VAL A 75 12.160 -9.058 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 75 11.417 -11.787 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 75 13.700 -10.506 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.822 -10.521 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.459 -9.379 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.278 -10.947 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.799 -12.564 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.253 -13.105 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.418 -12.920 -2.261 1.00 0.00 H new ATOM 913 N ALA A 76 10.835 -9.962 0.691 1.00 0.00 N ATOM 914 CA ALA A 76 10.160 -9.945 1.978 1.00 0.00 C ATOM 915 C ALA A 76 8.732 -10.465 1.807 1.00 0.00 C ATOM 916 O ALA A 76 8.284 -11.321 2.569 1.00 0.00 O ATOM 917 CB ALA A 76 10.200 -8.528 2.556 1.00 0.00 C ATOM 0 H ALA A 76 11.151 -9.049 0.363 1.00 0.00 H new ATOM 0 HA ALA A 76 10.666 -10.601 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.694 -8.514 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.237 -8.217 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.698 -7.842 1.873 1.00 0.00 H new ATOM 923 N VAL A 77 8.055 -9.926 0.804 1.00 0.00 N ATOM 924 CA VAL A 77 6.687 -10.325 0.523 1.00 0.00 C ATOM 925 C VAL A 77 6.656 -11.813 0.169 1.00 0.00 C ATOM 926 O VAL A 77 5.788 -12.548 0.636 1.00 0.00 O ATOM 927 CB VAL A 77 6.097 -9.437 -0.574 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.903 -10.224 -1.871 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.782 -8.801 -0.117 1.00 0.00 C ATOM 0 H VAL A 77 8.429 -9.215 0.175 1.00 0.00 H new ATOM 0 HA VAL A 77 6.061 -10.188 1.405 1.00 0.00 H new ATOM 0 HB VAL A 77 6.807 -8.634 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.482 -9.569 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.865 -10.607 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.223 -11.057 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.384 -8.175 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.063 -9.584 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.961 -8.190 0.768 1.00 0.00 H new ATOM 939 N CYS A 78 7.615 -12.212 -0.654 1.00 0.00 N ATOM 940 CA CYS A 78 7.709 -13.599 -1.077 1.00 0.00 C ATOM 941 C CYS A 78 7.696 -14.484 0.172 1.00 0.00 C ATOM 942 O CYS A 78 6.928 -15.442 0.250 1.00 0.00 O ATOM 943 CB CYS A 78 8.949 -13.845 -1.938 1.00 0.00 C ATOM 944 SG CYS A 78 9.248 -15.643 -2.105 1.00 0.00 S ATOM 0 H CYS A 78 8.334 -11.599 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 78 6.855 -13.849 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.813 -13.398 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.817 -13.364 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 78 10.070 -15.857 -3.089 1.00 0.00 H new ATOM 950 N GLU A 79 8.554 -14.131 1.117 1.00 0.00 N ATOM 951 CA GLU A 79 8.651 -14.880 2.358 1.00 0.00 C ATOM 952 C GLU A 79 7.430 -14.610 3.238 1.00 0.00 C ATOM 953 O GLU A 79 7.030 -15.462 4.030 1.00 0.00 O ATOM 954 CB GLU A 79 9.947 -14.547 3.100 1.00 0.00 C ATOM 955 CG GLU A 79 9.934 -15.130 4.515 1.00 0.00 C ATOM 956 CD GLU A 79 11.356 -15.272 5.062 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.087 -14.275 5.157 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.693 -16.472 5.396 1.00 0.00 O ATOM 0 H GLU A 79 9.189 -13.336 1.048 1.00 0.00 H new ATOM 0 HA GLU A 79 8.672 -15.943 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.799 -14.943 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.074 -13.466 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.350 -14.486 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.445 -16.104 4.507 1.00 0.00 H new ATOM 966 N GLU A 80 6.871 -13.420 3.071 1.00 0.00 N ATOM 967 CA GLU A 80 5.703 -13.027 3.840 1.00 0.00 C ATOM 968 C GLU A 80 4.486 -13.854 3.419 1.00 0.00 C ATOM 969 O GLU A 80 3.515 -13.961 4.166 1.00 0.00 O ATOM 970 CB GLU A 80 5.426 -11.529 3.691 1.00 0.00 C ATOM 971 CG GLU A 80 4.469 -11.037 4.777 1.00 0.00 C ATOM 972 CD GLU A 80 4.156 -9.550 4.600 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.872 -8.697 5.144 1.00 0.00 O ATOM 974 OE2 GLU A 80 3.127 -9.293 3.866 1.00 0.00 O ATOM 0 H GLU A 80 7.206 -12.715 2.414 1.00 0.00 H new ATOM 0 HA GLU A 80 5.904 -13.223 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.363 -10.975 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.999 -11.331 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.545 -11.614 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.911 -11.205 5.759 1.00 0.00 H new ATOM 982 N LEU A 81 4.579 -14.417 2.223 1.00 0.00 N ATOM 983 CA LEU A 81 3.498 -15.231 1.693 1.00 0.00 C ATOM 984 C LEU A 81 3.621 -16.654 2.242 1.00 0.00 C ATOM 985 O LEU A 81 2.664 -17.425 2.197 1.00 0.00 O ATOM 986 CB LEU A 81 3.474 -15.161 0.165 1.00 0.00 C ATOM 987 CG LEU A 81 3.173 -13.788 -0.439 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.514 -13.926 -1.813 1.00 0.00 C ATOM 989 CD2 LEU A 81 2.331 -12.941 0.518 1.00 0.00 C ATOM 0 H LEU A 81 5.386 -14.326 1.606 1.00 0.00 H new ATOM 0 HA LEU A 81 2.533 -14.844 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.441 -15.496 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.728 -15.868 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 81 4.118 -13.265 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.311 -12.936 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.183 -14.464 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.579 -14.477 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.131 -11.970 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.388 -13.449 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.874 -12.800 1.453 1.00 0.00 H new ATOM 1001 N GLY A 82 4.807 -16.958 2.748 1.00 0.00 N ATOM 1002 CA GLY A 82 5.068 -18.275 3.304 1.00 0.00 C ATOM 1003 C GLY A 82 4.283 -19.353 2.553 1.00 0.00 C ATOM 1004 O GLY A 82 3.768 -20.289 3.163 1.00 0.00 O ATOM 0 H GLY A 82 5.598 -16.315 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.135 -18.492 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.794 -18.289 4.359 1.00 0.00 H new ATOM 1008 N ALA A 83 4.217 -19.185 1.241 1.00 0.00 N ATOM 1009 CA ALA A 83 3.504 -20.132 0.400 1.00 0.00 C ATOM 1010 C ALA A 83 4.503 -20.860 -0.501 1.00 0.00 C ATOM 1011 O ALA A 83 5.363 -20.232 -1.116 1.00 0.00 O ATOM 1012 CB ALA A 83 2.427 -19.395 -0.399 1.00 0.00 C ATOM 0 H ALA A 83 4.645 -18.407 0.739 1.00 0.00 H new ATOM 0 HA ALA A 83 3.001 -20.883 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.892 -20.105 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.726 -18.920 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.894 -18.635 -1.024 1.00 0.00 H new ATOM 1018 N GLU A 84 4.356 -22.176 -0.550 1.00 0.00 N ATOM 1019 CA GLU A 84 5.235 -22.997 -1.366 1.00 0.00 C ATOM 1020 C GLU A 84 4.433 -24.089 -2.076 1.00 0.00 C ATOM 1021 O GLU A 84 4.977 -25.135 -2.428 1.00 0.00 O ATOM 1022 CB GLU A 84 6.359 -23.602 -0.523 1.00 0.00 C ATOM 1023 CG GLU A 84 6.824 -22.622 0.556 1.00 0.00 C ATOM 1024 CD GLU A 84 6.074 -22.855 1.869 1.00 0.00 C ATOM 1025 OE1 GLU A 84 5.868 -24.011 2.269 1.00 0.00 O ATOM 1026 OE2 GLU A 84 5.701 -21.783 2.481 1.00 0.00 O ATOM 0 H GLU A 84 3.642 -22.694 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 84 5.695 -22.362 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.012 -24.524 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.199 -23.866 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.895 -22.738 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.662 -21.599 0.217 1.00 0.00 H new ATOM 1034 N GLU A 85 3.152 -23.810 -2.267 1.00 0.00 N ATOM 1035 CA GLU A 85 2.270 -24.755 -2.929 1.00 0.00 C ATOM 1036 C GLU A 85 0.811 -24.459 -2.574 1.00 0.00 C ATOM 1037 O GLU A 85 0.536 -23.763 -1.597 1.00 0.00 O ATOM 1038 CB GLU A 85 2.640 -26.195 -2.568 1.00 0.00 C ATOM 1039 CG GLU A 85 3.488 -26.836 -3.669 1.00 0.00 C ATOM 1040 CD GLU A 85 4.558 -27.753 -3.074 1.00 0.00 C ATOM 1041 OE1 GLU A 85 4.410 -28.219 -1.934 1.00 0.00 O ATOM 1042 OE2 GLU A 85 5.571 -27.978 -3.840 1.00 0.00 O ATOM 0 H GLU A 85 2.704 -22.942 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 85 2.391 -24.642 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.190 -26.208 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.733 -26.780 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.847 -27.407 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.963 -26.058 -4.267 1.00 0.00 H new ATOM 1050 N CYS A 86 -0.084 -25.001 -3.386 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.507 -24.804 -3.170 1.00 0.00 C ATOM 1052 C CYS A 86 -2.095 -26.104 -2.618 1.00 0.00 C ATOM 1053 O CYS A 86 -2.601 -26.931 -3.376 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.217 -24.354 -4.448 1.00 0.00 C ATOM 1055 SG CYS A 86 -4.022 -24.606 -4.285 1.00 0.00 S ATOM 0 H CYS A 86 0.149 -25.577 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.659 -24.002 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.005 -23.302 -4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.839 -24.917 -5.301 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.390 -25.603 -5.033 1.00 0.00 H new ATOM 1060 N PHE A 87 -2.008 -26.245 -1.304 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.525 -27.431 -0.642 1.00 0.00 C ATOM 1062 C PHE A 87 -3.997 -27.656 -0.992 1.00 0.00 C ATOM 1063 O PHE A 87 -4.473 -28.791 -0.988 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.401 -27.193 0.864 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.977 -27.343 1.403 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -0.255 -28.458 1.114 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.434 -26.361 2.172 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.067 -28.597 1.615 1.00 0.00 C ATOM 1069 CE2 PHE A 87 0.887 -26.500 2.672 1.00 0.00 C ATOM 1070 CZ PHE A 87 1.610 -27.615 2.383 1.00 0.00 C ATOM 0 H PHE A 87 -1.587 -25.557 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.965 -28.310 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.762 -26.190 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.052 -27.894 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.686 -29.238 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.008 -25.476 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.641 -29.483 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.318 -25.720 3.282 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.615 -27.721 2.763 1.00 0.00 H new ATOM 1080 N SER A 88 -4.677 -26.558 -1.286 1.00 0.00 N ATOM 1081 CA SER A 88 -6.086 -26.621 -1.638 1.00 0.00 C ATOM 1082 C SER A 88 -6.279 -27.517 -2.863 1.00 0.00 C ATOM 1083 O SER A 88 -7.398 -27.931 -3.163 1.00 0.00 O ATOM 1084 CB SER A 88 -6.650 -25.225 -1.907 1.00 0.00 C ATOM 1085 OG SER A 88 -6.619 -24.403 -0.743 1.00 0.00 O ATOM 0 H SER A 88 -4.279 -25.619 -1.288 1.00 0.00 H new ATOM 0 HA SER A 88 -6.631 -27.046 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.076 -24.749 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.677 -25.311 -2.263 1.00 0.00 H new ATOM 0 HG SER A 88 -6.986 -23.520 -0.956 1.00 0.00 H new ATOM 1091 N CYS A 89 -5.172 -27.790 -3.538 1.00 0.00 N ATOM 1092 CA CYS A 89 -5.206 -28.629 -4.723 1.00 0.00 C ATOM 1093 C CYS A 89 -5.840 -29.969 -4.346 1.00 0.00 C ATOM 1094 O CYS A 89 -6.626 -30.526 -5.111 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.813 -28.807 -5.330 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.548 -27.578 -6.660 1.00 0.00 S ATOM 0 H CYS A 89 -4.246 -27.445 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.808 -28.148 -5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -3.053 -28.689 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.707 -29.816 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.362 -27.737 -7.167 1.00 0.00 H new