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 31 CYS SG : rot -142:sc= 0.177 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -7.49! C(o=-10!,f=-13!) USER MOD Set 1.3: A 86 CYS SG : rot -20:sc= -2.84! USER MOD Set 1.4: A 89 CYS SG : rot 132:sc= 0.187 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 66:sc= -4.21! USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.173 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -64:sc= 0.228 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+ 170:sc= 0 (180deg=-0.0795) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.207) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -1.59! (180deg=-1.6!) USER MOD Single : A 78 CYS SG : rot 180:sc= -4.26! USER MOD Single : A 88 SER OG : rot 62:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.368 -1.624 -5.065 1.00 0.00 N ATOM 29 CA ALA A 18 3.649 -1.530 -5.745 1.00 0.00 C ATOM 30 C ALA A 18 4.446 -2.812 -5.502 1.00 0.00 C ATOM 31 O ALA A 18 4.938 -3.431 -6.445 1.00 0.00 O ATOM 32 CB ALA A 18 4.392 -0.281 -5.265 1.00 0.00 C ATOM 0 HA ALA A 18 3.506 -1.430 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.353 -0.211 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.797 0.605 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.556 -0.346 -4.189 1.00 0.00 H new ATOM 38 N VAL A 19 4.550 -3.175 -4.231 1.00 0.00 N ATOM 39 CA VAL A 19 5.279 -4.373 -3.852 1.00 0.00 C ATOM 40 C VAL A 19 4.630 -5.590 -4.513 1.00 0.00 C ATOM 41 O VAL A 19 5.304 -6.368 -5.187 1.00 0.00 O ATOM 42 CB VAL A 19 5.345 -4.484 -2.327 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.920 -3.208 -1.709 1.00 0.00 C ATOM 44 CG2 VAL A 19 3.969 -4.806 -1.741 1.00 0.00 C ATOM 0 H VAL A 19 4.141 -2.660 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 19 6.309 -4.322 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 19 6.015 -5.307 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.956 -3.313 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.927 -3.041 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.287 -2.360 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.044 -4.879 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.267 -4.014 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.614 -5.754 -2.145 1.00 0.00 H new ATOM 54 N TYR A 20 3.329 -5.718 -4.296 1.00 0.00 N ATOM 55 CA TYR A 20 2.582 -6.828 -4.863 1.00 0.00 C ATOM 56 C TYR A 20 2.786 -6.910 -6.377 1.00 0.00 C ATOM 57 O TYR A 20 2.663 -7.983 -6.966 1.00 0.00 O ATOM 58 CB TYR A 20 1.108 -6.535 -4.574 1.00 0.00 C ATOM 59 CG TYR A 20 0.579 -7.202 -3.302 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.459 -7.611 -2.320 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.777 -7.394 -3.137 1.00 0.00 C ATOM 62 CE1 TYR A 20 0.961 -8.238 -1.124 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.275 -8.022 -1.941 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.382 -8.413 -0.993 1.00 0.00 C ATOM 65 OH TYR A 20 -0.852 -9.005 0.137 1.00 0.00 O ATOM 0 H TYR A 20 2.773 -5.072 -3.736 1.00 0.00 H new ATOM 0 HA TYR A 20 2.913 -7.773 -4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.972 -5.457 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.509 -6.867 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.521 -7.461 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.465 -7.073 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.638 -8.562 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.334 -8.179 -1.800 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.829 -9.063 0.094 1.00 0.00 H new ATOM 75 N ILE A 21 3.094 -5.763 -6.964 1.00 0.00 N ATOM 76 CA ILE A 21 3.316 -5.692 -8.398 1.00 0.00 C ATOM 77 C ILE A 21 4.685 -6.290 -8.728 1.00 0.00 C ATOM 78 O ILE A 21 4.792 -7.171 -9.579 1.00 0.00 O ATOM 79 CB ILE A 21 3.135 -4.257 -8.898 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.776 -4.081 -9.578 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.291 -3.845 -9.811 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.687 -4.925 -10.851 1.00 0.00 C ATOM 0 H ILE A 21 3.195 -4.875 -6.472 1.00 0.00 H new ATOM 0 HA ILE A 21 2.572 -6.286 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 21 3.152 -3.590 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.981 -4.369 -8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.621 -3.030 -9.822 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.138 -2.821 -10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.230 -3.907 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.330 -4.512 -10.672 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.711 -4.782 -11.315 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.468 -4.618 -11.546 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.818 -5.977 -10.600 1.00 0.00 H new ATOM 94 N ALA A 22 5.697 -5.787 -8.037 1.00 0.00 N ATOM 95 CA ALA A 22 7.055 -6.260 -8.246 1.00 0.00 C ATOM 96 C ALA A 22 7.075 -7.788 -8.170 1.00 0.00 C ATOM 97 O ALA A 22 7.758 -8.444 -8.956 1.00 0.00 O ATOM 98 CB ALA A 22 7.985 -5.613 -7.218 1.00 0.00 C ATOM 0 H ALA A 22 5.604 -5.056 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 22 7.413 -5.974 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.004 -5.968 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.956 -4.529 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.658 -5.880 -6.213 1.00 0.00 H new ATOM 104 N ILE A 23 6.317 -8.312 -7.217 1.00 0.00 N ATOM 105 CA ILE A 23 6.240 -9.750 -7.029 1.00 0.00 C ATOM 106 C ILE A 23 5.332 -10.353 -8.103 1.00 0.00 C ATOM 107 O ILE A 23 5.559 -11.474 -8.555 1.00 0.00 O ATOM 108 CB ILE A 23 5.804 -10.081 -5.599 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.281 -10.185 -5.501 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.375 -9.068 -4.605 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.861 -10.862 -4.194 1.00 0.00 C ATOM 0 H ILE A 23 5.751 -7.766 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 23 7.224 -10.203 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 23 6.211 -11.057 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.840 -9.190 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.896 -10.752 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.051 -9.325 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.464 -9.086 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.018 -8.070 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.774 -10.923 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.283 -11.866 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.227 -10.279 -3.349 1.00 0.00 H new ATOM 123 N GLU A 24 4.322 -9.582 -8.480 1.00 0.00 N ATOM 124 CA GLU A 24 3.379 -10.025 -9.492 1.00 0.00 C ATOM 125 C GLU A 24 4.045 -10.034 -10.870 1.00 0.00 C ATOM 126 O GLU A 24 3.513 -10.612 -11.817 1.00 0.00 O ATOM 127 CB GLU A 24 2.125 -9.149 -9.495 1.00 0.00 C ATOM 128 CG GLU A 24 1.129 -9.621 -10.556 1.00 0.00 C ATOM 129 CD GLU A 24 -0.310 -9.329 -10.126 1.00 0.00 C ATOM 130 OE1 GLU A 24 -1.122 -8.873 -10.945 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.574 -9.592 -8.891 1.00 0.00 O ATOM 0 H GLU A 24 4.137 -8.653 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 24 3.070 -11.042 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.655 -9.177 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.402 -8.112 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.338 -9.123 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.252 -10.691 -10.725 1.00 0.00 H new ATOM 139 N ALA A 25 5.198 -9.385 -10.939 1.00 0.00 N ATOM 140 CA ALA A 25 5.941 -9.310 -12.185 1.00 0.00 C ATOM 141 C ALA A 25 6.405 -10.713 -12.582 1.00 0.00 C ATOM 142 O ALA A 25 6.603 -10.994 -13.763 1.00 0.00 O ATOM 143 CB ALA A 25 7.108 -8.334 -12.026 1.00 0.00 C ATOM 0 H ALA A 25 5.636 -8.906 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 25 5.307 -8.932 -12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.665 -8.278 -12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.724 -7.346 -11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.767 -8.682 -11.231 1.00 0.00 H new ATOM 149 N GLY A 26 6.565 -11.557 -11.573 1.00 0.00 N ATOM 150 CA GLY A 26 7.002 -12.923 -11.802 1.00 0.00 C ATOM 151 C GLY A 26 7.980 -13.376 -10.715 1.00 0.00 C ATOM 152 O GLY A 26 9.004 -13.988 -11.013 1.00 0.00 O ATOM 0 H GLY A 26 6.400 -11.321 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.138 -13.587 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.479 -12.997 -12.779 1.00 0.00 H new ATOM 156 N THR A 27 7.629 -13.056 -9.478 1.00 0.00 N ATOM 157 CA THR A 27 8.462 -13.422 -8.346 1.00 0.00 C ATOM 158 C THR A 27 8.104 -14.825 -7.851 1.00 0.00 C ATOM 159 O THR A 27 8.988 -15.643 -7.601 1.00 0.00 O ATOM 160 CB THR A 27 8.306 -12.341 -7.274 1.00 0.00 C ATOM 161 OG1 THR A 27 9.046 -11.236 -7.785 1.00 0.00 O ATOM 162 CG2 THR A 27 9.023 -12.700 -5.971 1.00 0.00 C ATOM 0 H THR A 27 6.779 -12.547 -9.235 1.00 0.00 H new ATOM 0 HA THR A 27 9.514 -13.470 -8.629 1.00 0.00 H new ATOM 0 HB THR A 27 7.247 -12.180 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.612 -10.899 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.880 -11.900 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.612 -13.628 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.088 -12.828 -6.165 1.00 0.00 H new ATOM 170 N LEU A 28 6.806 -15.059 -7.724 1.00 0.00 N ATOM 171 CA LEU A 28 6.320 -16.349 -7.264 1.00 0.00 C ATOM 172 C LEU A 28 5.066 -16.728 -8.053 1.00 0.00 C ATOM 173 O LEU A 28 4.575 -15.941 -8.861 1.00 0.00 O ATOM 174 CB LEU A 28 6.111 -16.333 -5.748 1.00 0.00 C ATOM 175 CG LEU A 28 5.560 -15.031 -5.161 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.674 -15.311 -3.945 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.692 -14.055 -4.833 1.00 0.00 C ATOM 0 H LEU A 28 6.076 -14.377 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 28 7.062 -17.125 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.430 -17.143 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.065 -16.550 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 28 4.933 -14.554 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.295 -14.370 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.837 -15.942 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.258 -15.820 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.273 -13.138 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.365 -14.509 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.246 -13.821 -5.742 1.00 0.00 H new ATOM 189 N ALA A 29 4.583 -17.933 -7.792 1.00 0.00 N ATOM 190 CA ALA A 29 3.395 -18.426 -8.468 1.00 0.00 C ATOM 191 C ALA A 29 2.392 -18.929 -7.427 1.00 0.00 C ATOM 192 O ALA A 29 2.782 -19.502 -6.411 1.00 0.00 O ATOM 193 CB ALA A 29 3.791 -19.514 -9.469 1.00 0.00 C ATOM 0 H ALA A 29 4.993 -18.583 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 29 2.914 -17.625 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.900 -19.884 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.481 -19.099 -10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.275 -20.336 -8.941 1.00 0.00 H new ATOM 199 N GLU A 30 1.120 -18.697 -7.717 1.00 0.00 N ATOM 200 CA GLU A 30 0.059 -19.119 -6.819 1.00 0.00 C ATOM 201 C GLU A 30 -1.158 -19.588 -7.618 1.00 0.00 C ATOM 202 O GLU A 30 -1.432 -19.069 -8.700 1.00 0.00 O ATOM 203 CB GLU A 30 -0.320 -17.996 -5.851 1.00 0.00 C ATOM 204 CG GLU A 30 -0.665 -16.713 -6.609 1.00 0.00 C ATOM 205 CD GLU A 30 0.574 -15.835 -6.795 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.682 -16.237 -6.409 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.357 -14.698 -7.363 1.00 0.00 O ATOM 0 H GLU A 30 0.801 -18.222 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 30 0.424 -19.957 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.172 -18.305 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.506 -17.807 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.087 -16.964 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.429 -16.159 -6.064 1.00 0.00 H new ATOM 215 N CYS A 31 -1.856 -20.564 -7.056 1.00 0.00 N ATOM 216 CA CYS A 31 -3.037 -21.108 -7.703 1.00 0.00 C ATOM 217 C CYS A 31 -4.115 -20.022 -7.728 1.00 0.00 C ATOM 218 O CYS A 31 -4.572 -19.573 -6.678 1.00 0.00 O ATOM 219 CB CYS A 31 -3.526 -22.382 -7.010 1.00 0.00 C ATOM 220 SG CYS A 31 -3.147 -23.843 -8.045 1.00 0.00 S ATOM 0 H CYS A 31 -1.626 -20.992 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.793 -21.400 -8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.048 -22.482 -6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.600 -22.320 -6.833 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.130 -24.691 -7.975 1.00 0.00 H new ATOM 225 N GLU A 32 -4.489 -19.632 -8.938 1.00 0.00 N ATOM 226 CA GLU A 32 -5.504 -18.607 -9.113 1.00 0.00 C ATOM 227 C GLU A 32 -6.883 -19.159 -8.748 1.00 0.00 C ATOM 228 O GLU A 32 -7.874 -18.431 -8.776 1.00 0.00 O ATOM 229 CB GLU A 32 -5.492 -18.062 -10.543 1.00 0.00 C ATOM 230 CG GLU A 32 -5.960 -19.125 -11.538 1.00 0.00 C ATOM 231 CD GLU A 32 -4.777 -19.936 -12.072 1.00 0.00 C ATOM 232 OE1 GLU A 32 -3.638 -19.446 -12.069 1.00 0.00 O ATOM 233 OE2 GLU A 32 -5.074 -21.116 -12.500 1.00 0.00 O ATOM 0 H GLU A 32 -4.107 -20.007 -9.806 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.276 -17.779 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.139 -17.187 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.486 -17.734 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.674 -19.792 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.482 -18.647 -12.367 1.00 0.00 H new ATOM 241 N VAL A 33 -6.903 -20.441 -8.414 1.00 0.00 N ATOM 242 CA VAL A 33 -8.145 -21.099 -8.044 1.00 0.00 C ATOM 243 C VAL A 33 -8.201 -21.254 -6.523 1.00 0.00 C ATOM 244 O VAL A 33 -9.283 -21.302 -5.940 1.00 0.00 O ATOM 245 CB VAL A 33 -8.273 -22.430 -8.786 1.00 0.00 C ATOM 246 CG1 VAL A 33 -9.523 -22.448 -9.669 1.00 0.00 C ATOM 247 CG2 VAL A 33 -7.017 -22.723 -9.609 1.00 0.00 C ATOM 0 H VAL A 33 -6.079 -21.042 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.001 -20.494 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.377 -23.219 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.590 -23.406 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.408 -22.307 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.462 -21.644 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.135 -23.675 -10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.868 -21.929 -10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.152 -22.774 -8.947 1.00 0.00 H new ATOM 257 N HIS A 34 -7.022 -21.329 -5.924 1.00 0.00 N ATOM 258 CA HIS A 34 -6.923 -21.478 -4.482 1.00 0.00 C ATOM 259 C HIS A 34 -6.533 -20.139 -3.853 1.00 0.00 C ATOM 260 O HIS A 34 -5.350 -19.827 -3.732 1.00 0.00 O ATOM 261 CB HIS A 34 -5.958 -22.607 -4.117 1.00 0.00 C ATOM 262 CG HIS A 34 -6.117 -23.848 -4.963 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.100 -25.126 -4.431 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.296 -23.993 -6.307 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.262 -25.993 -5.420 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.383 -25.289 -6.582 1.00 0.00 N ATOM 0 H HIS A 34 -6.127 -21.289 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.894 -21.762 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.935 -22.242 -4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.104 -22.872 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.357 -23.190 -7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.293 -27.068 -5.323 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.518 -25.692 -7.509 1.00 0.00 H new ATOM 274 N GLU A 35 -7.552 -19.383 -3.469 1.00 0.00 N ATOM 275 CA GLU A 35 -7.331 -18.085 -2.855 1.00 0.00 C ATOM 276 C GLU A 35 -6.599 -18.246 -1.521 1.00 0.00 C ATOM 277 O GLU A 35 -7.087 -18.924 -0.619 1.00 0.00 O ATOM 278 CB GLU A 35 -8.651 -17.334 -2.669 1.00 0.00 C ATOM 279 CG GLU A 35 -8.403 -15.887 -2.241 1.00 0.00 C ATOM 280 CD GLU A 35 -9.675 -15.048 -2.379 1.00 0.00 C ATOM 281 OE1 GLU A 35 -10.184 -14.873 -3.497 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.137 -14.572 -1.273 1.00 0.00 O ATOM 0 H GLU A 35 -8.532 -19.645 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.705 -17.492 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.217 -17.350 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.259 -17.840 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.058 -15.864 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.610 -15.455 -2.851 1.00 0.00 H new ATOM 290 N GLY A 36 -5.439 -17.610 -1.439 1.00 0.00 N ATOM 291 CA GLY A 36 -4.635 -17.675 -0.230 1.00 0.00 C ATOM 292 C GLY A 36 -3.466 -18.648 -0.400 1.00 0.00 C ATOM 293 O GLY A 36 -2.463 -18.548 0.305 1.00 0.00 O ATOM 0 H GLY A 36 -5.037 -17.048 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.254 -16.683 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.257 -17.991 0.608 1.00 0.00 H new ATOM 297 N THR A 37 -3.635 -19.567 -1.340 1.00 0.00 N ATOM 298 CA THR A 37 -2.607 -20.557 -1.611 1.00 0.00 C ATOM 299 C THR A 37 -1.602 -20.016 -2.631 1.00 0.00 C ATOM 300 O THR A 37 -1.970 -19.691 -3.758 1.00 0.00 O ATOM 301 CB THR A 37 -3.298 -21.845 -2.063 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.610 -21.745 -1.516 1.00 0.00 O ATOM 303 CG2 THR A 37 -2.709 -23.090 -1.397 1.00 0.00 C ATOM 0 H THR A 37 -4.468 -19.646 -1.923 1.00 0.00 H new ATOM 0 HA THR A 37 -2.026 -20.780 -0.716 1.00 0.00 H new ATOM 0 HB THR A 37 -3.216 -21.940 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.893 -22.622 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.235 -23.976 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.651 -23.171 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.820 -23.011 -0.316 1.00 0.00 H new ATOM 311 N TYR A 38 -0.352 -19.937 -2.197 1.00 0.00 N ATOM 312 CA TYR A 38 0.708 -19.442 -3.058 1.00 0.00 C ATOM 313 C TYR A 38 1.965 -20.306 -2.933 1.00 0.00 C ATOM 314 O TYR A 38 2.017 -21.216 -2.107 1.00 0.00 O ATOM 315 CB TYR A 38 1.025 -18.028 -2.567 1.00 0.00 C ATOM 316 CG TYR A 38 -0.057 -16.998 -2.897 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.291 -17.072 -2.282 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.200 -15.995 -3.809 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.309 -16.102 -2.593 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.818 -15.025 -4.120 1.00 0.00 C ATOM 321 CZ TYR A 38 -2.022 -15.127 -3.496 1.00 0.00 C ATOM 322 OH TYR A 38 -2.984 -14.211 -3.790 1.00 0.00 O ATOM 0 H TYR A 38 -0.050 -20.207 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 38 0.395 -19.462 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.171 -18.054 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.968 -17.704 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.493 -17.857 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.165 -15.937 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.279 -16.148 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.630 -14.235 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.638 -13.574 -4.450 1.00 0.00 H new ATOM 332 N PHE A 39 2.947 -19.990 -3.764 1.00 0.00 N ATOM 333 CA PHE A 39 4.200 -20.726 -3.757 1.00 0.00 C ATOM 334 C PHE A 39 5.271 -19.993 -4.566 1.00 0.00 C ATOM 335 O PHE A 39 5.064 -19.679 -5.737 1.00 0.00 O ATOM 336 CB PHE A 39 3.925 -22.083 -4.408 1.00 0.00 C ATOM 337 CG PHE A 39 4.214 -22.122 -5.910 1.00 0.00 C ATOM 338 CD1 PHE A 39 5.498 -22.069 -6.357 1.00 0.00 C ATOM 339 CD2 PHE A 39 3.188 -22.210 -6.798 1.00 0.00 C ATOM 340 CE1 PHE A 39 5.766 -22.106 -7.751 1.00 0.00 C ATOM 341 CE2 PHE A 39 3.456 -22.247 -8.192 1.00 0.00 C ATOM 342 CZ PHE A 39 4.739 -22.194 -8.639 1.00 0.00 C ATOM 0 H PHE A 39 2.900 -19.234 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 39 4.564 -20.831 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.530 -22.842 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.881 -22.349 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.313 -21.999 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.169 -22.252 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.785 -22.064 -8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.641 -22.317 -8.897 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.943 -22.222 -9.699 1.00 0.00 H new ATOM 352 N SER A 40 6.394 -19.740 -3.909 1.00 0.00 N ATOM 353 CA SER A 40 7.498 -19.050 -4.553 1.00 0.00 C ATOM 354 C SER A 40 8.553 -20.060 -5.008 1.00 0.00 C ATOM 355 O SER A 40 8.744 -21.094 -4.370 1.00 0.00 O ATOM 356 CB SER A 40 8.124 -18.016 -3.615 1.00 0.00 C ATOM 357 OG SER A 40 8.643 -18.615 -2.431 1.00 0.00 O ATOM 0 H SER A 40 6.562 -20.001 -2.937 1.00 0.00 H new ATOM 0 HA SER A 40 7.109 -18.523 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.924 -17.491 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.376 -17.270 -3.346 1.00 0.00 H new ATOM 0 HG SER A 40 7.909 -19.011 -1.916 1.00 0.00 H new ATOM 363 N ASP A 41 9.211 -19.726 -6.108 1.00 0.00 N ATOM 364 CA ASP A 41 10.242 -20.591 -6.656 1.00 0.00 C ATOM 365 C ASP A 41 11.060 -21.191 -5.511 1.00 0.00 C ATOM 366 O ASP A 41 11.994 -20.563 -5.014 1.00 0.00 O ATOM 367 CB ASP A 41 11.197 -19.807 -7.559 1.00 0.00 C ATOM 368 CG ASP A 41 11.579 -20.511 -8.862 1.00 0.00 C ATOM 369 OD1 ASP A 41 12.198 -19.911 -9.754 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.211 -21.744 -8.944 1.00 0.00 O ATOM 0 H ASP A 41 9.050 -18.868 -6.635 1.00 0.00 H new ATOM 0 HA ASP A 41 9.752 -21.371 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.738 -18.849 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.107 -19.592 -7.000 1.00 0.00 H new ATOM 376 N SER A 42 10.680 -22.400 -5.125 1.00 0.00 N ATOM 377 CA SER A 42 11.366 -23.092 -4.047 1.00 0.00 C ATOM 378 C SER A 42 12.746 -23.554 -4.518 1.00 0.00 C ATOM 379 O SER A 42 12.893 -24.045 -5.636 1.00 0.00 O ATOM 380 CB SER A 42 10.548 -24.285 -3.549 1.00 0.00 C ATOM 381 OG SER A 42 11.149 -24.910 -2.419 1.00 0.00 O ATOM 0 H SER A 42 9.906 -22.918 -5.540 1.00 0.00 H new ATOM 0 HA SER A 42 11.486 -22.397 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.544 -23.952 -3.287 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.443 -25.013 -4.353 1.00 0.00 H new ATOM 0 HG SER A 42 10.596 -25.666 -2.130 1.00 0.00 H new ATOM 387 N GLY A 43 13.724 -23.381 -3.640 1.00 0.00 N ATOM 388 CA GLY A 43 15.088 -23.774 -3.952 1.00 0.00 C ATOM 389 C GLY A 43 15.968 -22.548 -4.204 1.00 0.00 C ATOM 390 O GLY A 43 17.172 -22.582 -3.956 1.00 0.00 O ATOM 0 H GLY A 43 13.599 -22.974 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.499 -24.358 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.093 -24.417 -4.832 1.00 0.00 H new ATOM 394 N ASP A 44 15.332 -21.494 -4.695 1.00 0.00 N ATOM 395 CA ASP A 44 16.042 -20.260 -4.984 1.00 0.00 C ATOM 396 C ASP A 44 15.117 -19.071 -4.721 1.00 0.00 C ATOM 397 O ASP A 44 14.502 -18.542 -5.646 1.00 0.00 O ATOM 398 CB ASP A 44 16.478 -20.205 -6.450 1.00 0.00 C ATOM 399 CG ASP A 44 17.719 -19.353 -6.724 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.818 -18.204 -6.269 1.00 0.00 O ATOM 401 OD2 ASP A 44 18.622 -19.922 -7.449 1.00 0.00 O ATOM 0 H ASP A 44 14.333 -21.470 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 44 16.924 -20.221 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.670 -21.221 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.651 -19.817 -7.045 1.00 0.00 H new ATOM 407 N ILE A 45 15.047 -18.685 -3.456 1.00 0.00 N ATOM 408 CA ILE A 45 14.206 -17.568 -3.059 1.00 0.00 C ATOM 409 C ILE A 45 14.837 -16.262 -3.547 1.00 0.00 C ATOM 410 O ILE A 45 14.144 -15.262 -3.726 1.00 0.00 O ATOM 411 CB ILE A 45 13.948 -17.600 -1.552 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.773 -18.521 -1.216 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.745 -16.187 -1.000 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.504 -17.712 -0.940 1.00 0.00 C ATOM 0 H ILE A 45 15.559 -19.126 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 45 13.225 -17.644 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 45 14.831 -18.013 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.597 -19.209 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.019 -19.127 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.563 -16.238 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.638 -15.591 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.889 -15.724 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.684 -18.390 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.675 -17.043 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.247 -17.126 -1.822 1.00 0.00 H new ATOM 426 N SER A 46 16.146 -16.314 -3.749 1.00 0.00 N ATOM 427 CA SER A 46 16.878 -15.148 -4.213 1.00 0.00 C ATOM 428 C SER A 46 16.562 -14.883 -5.686 1.00 0.00 C ATOM 429 O SER A 46 16.642 -13.746 -6.148 1.00 0.00 O ATOM 430 CB SER A 46 18.384 -15.330 -4.018 1.00 0.00 C ATOM 431 OG SER A 46 18.749 -15.328 -2.641 1.00 0.00 O ATOM 0 H SER A 46 16.718 -17.145 -3.600 1.00 0.00 H new ATOM 0 HA SER A 46 16.563 -14.289 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.698 -16.269 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.915 -14.531 -4.535 1.00 0.00 H new ATOM 0 HG SER A 46 19.718 -15.448 -2.559 1.00 0.00 H new ATOM 437 N GLU A 47 16.208 -15.952 -6.384 1.00 0.00 N ATOM 438 CA GLU A 47 15.879 -15.850 -7.796 1.00 0.00 C ATOM 439 C GLU A 47 14.724 -14.868 -8.002 1.00 0.00 C ATOM 440 O GLU A 47 14.684 -14.151 -9.001 1.00 0.00 O ATOM 441 CB GLU A 47 15.543 -17.223 -8.381 1.00 0.00 C ATOM 442 CG GLU A 47 16.717 -17.776 -9.192 1.00 0.00 C ATOM 443 CD GLU A 47 16.419 -19.190 -9.693 1.00 0.00 C ATOM 444 OE1 GLU A 47 17.318 -20.044 -9.712 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.202 -19.390 -10.071 1.00 0.00 O ATOM 0 H GLU A 47 16.142 -16.894 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 47 16.752 -15.470 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.295 -17.914 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.661 -17.145 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.919 -17.121 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.616 -17.786 -8.576 1.00 0.00 H new ATOM 453 N ALA A 48 13.812 -14.866 -7.040 1.00 0.00 N ATOM 454 CA ALA A 48 12.660 -13.984 -7.104 1.00 0.00 C ATOM 455 C ALA A 48 13.121 -12.536 -6.924 1.00 0.00 C ATOM 456 O ALA A 48 12.540 -11.619 -7.504 1.00 0.00 O ATOM 457 CB ALA A 48 11.636 -14.405 -6.048 1.00 0.00 C ATOM 0 H ALA A 48 13.848 -15.461 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 48 12.174 -14.057 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.771 -13.743 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.319 -15.431 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.087 -14.341 -5.058 1.00 0.00 H new ATOM 463 N GLU A 49 14.160 -12.375 -6.118 1.00 0.00 N ATOM 464 CA GLU A 49 14.705 -11.054 -5.855 1.00 0.00 C ATOM 465 C GLU A 49 15.280 -10.452 -7.139 1.00 0.00 C ATOM 466 O GLU A 49 14.908 -9.347 -7.531 1.00 0.00 O ATOM 467 CB GLU A 49 15.765 -11.108 -4.752 1.00 0.00 C ATOM 468 CG GLU A 49 15.114 -11.142 -3.368 1.00 0.00 C ATOM 469 CD GLU A 49 13.714 -11.756 -3.435 1.00 0.00 C ATOM 470 OE1 GLU A 49 13.569 -12.982 -3.312 1.00 0.00 O ATOM 471 OE2 GLU A 49 12.756 -10.913 -3.622 1.00 0.00 O ATOM 0 H GLU A 49 14.639 -13.137 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 49 13.897 -10.411 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.390 -11.991 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 49 16.420 -10.240 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.736 -11.719 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.053 -10.131 -2.966 1.00 0.00 H new ATOM 479 N GLU A 50 16.179 -11.204 -7.757 1.00 0.00 N ATOM 480 CA GLU A 50 16.809 -10.759 -8.988 1.00 0.00 C ATOM 481 C GLU A 50 15.791 -10.744 -10.130 1.00 0.00 C ATOM 482 O GLU A 50 15.834 -9.870 -10.994 1.00 0.00 O ATOM 483 CB GLU A 50 18.012 -11.637 -9.337 1.00 0.00 C ATOM 484 CG GLU A 50 19.115 -11.498 -8.286 1.00 0.00 C ATOM 485 CD GLU A 50 20.343 -12.328 -8.667 1.00 0.00 C ATOM 486 OE1 GLU A 50 20.399 -12.878 -9.777 1.00 0.00 O ATOM 487 OE2 GLU A 50 21.261 -12.389 -7.763 1.00 0.00 O ATOM 0 H GLU A 50 16.486 -12.119 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 50 17.174 -9.743 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.699 -12.679 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.400 -11.356 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.397 -10.450 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.740 -11.821 -7.315 1.00 0.00 H new ATOM 495 N LEU A 51 14.898 -11.723 -10.097 1.00 0.00 N ATOM 496 CA LEU A 51 13.871 -11.834 -11.119 1.00 0.00 C ATOM 497 C LEU A 51 12.985 -10.587 -11.083 1.00 0.00 C ATOM 498 O LEU A 51 12.714 -9.983 -12.120 1.00 0.00 O ATOM 499 CB LEU A 51 13.096 -13.143 -10.960 1.00 0.00 C ATOM 500 CG LEU A 51 12.022 -13.420 -12.014 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.331 -14.759 -11.755 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.022 -12.264 -12.094 1.00 0.00 C ATOM 0 H LEU A 51 14.865 -12.446 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 51 14.323 -11.876 -12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.809 -13.968 -10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.622 -13.144 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 51 12.509 -13.493 -12.987 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.572 -14.931 -12.519 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.068 -15.561 -11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.859 -14.741 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.269 -12.486 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.537 -12.135 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.547 -11.347 -12.362 1.00 0.00 H new ATOM 514 N ALA A 52 12.558 -10.238 -9.878 1.00 0.00 N ATOM 515 CA ALA A 52 11.709 -9.074 -9.693 1.00 0.00 C ATOM 516 C ALA A 52 12.529 -7.805 -9.936 1.00 0.00 C ATOM 517 O ALA A 52 12.001 -6.802 -10.412 1.00 0.00 O ATOM 518 CB ALA A 52 11.091 -9.109 -8.293 1.00 0.00 C ATOM 0 H ALA A 52 12.784 -10.741 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 52 10.890 -9.080 -10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.454 -8.235 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.495 -10.014 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.884 -9.102 -7.545 1.00 0.00 H new ATOM 524 N ARG A 53 13.807 -7.891 -9.598 1.00 0.00 N ATOM 525 CA ARG A 53 14.706 -6.763 -9.774 1.00 0.00 C ATOM 526 C ARG A 53 14.835 -6.414 -11.258 1.00 0.00 C ATOM 527 O ARG A 53 14.828 -5.240 -11.626 1.00 0.00 O ATOM 528 CB ARG A 53 16.093 -7.070 -9.206 1.00 0.00 C ATOM 529 CG ARG A 53 16.916 -5.790 -9.048 1.00 0.00 C ATOM 530 CD ARG A 53 17.743 -5.511 -10.304 1.00 0.00 C ATOM 531 NE ARG A 53 18.786 -6.549 -10.464 1.00 0.00 N ATOM 532 CZ ARG A 53 19.410 -6.814 -11.620 1.00 0.00 C ATOM 533 NH1 ARG A 53 19.101 -6.120 -12.724 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.344 -7.775 -11.672 1.00 0.00 N ATOM 0 H ARG A 53 14.242 -8.725 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 53 14.285 -5.915 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.993 -7.564 -8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.615 -7.763 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.252 -4.948 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.577 -5.883 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.095 -5.497 -11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.206 -4.527 -10.234 1.00 0.00 H new ATOM 0 HE ARG A 53 19.046 -7.097 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.390 -5.389 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.576 -6.322 -13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.579 -8.304 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.819 -7.977 -12.552 1.00 0.00 H new ATOM 548 N GLU A 54 14.950 -7.454 -12.070 1.00 0.00 N ATOM 549 CA GLU A 54 15.081 -7.272 -13.506 1.00 0.00 C ATOM 550 C GLU A 54 13.722 -6.937 -14.124 1.00 0.00 C ATOM 551 O GLU A 54 13.613 -6.013 -14.929 1.00 0.00 O ATOM 552 CB GLU A 54 15.692 -8.512 -14.162 1.00 0.00 C ATOM 553 CG GLU A 54 14.602 -9.428 -14.724 1.00 0.00 C ATOM 554 CD GLU A 54 15.214 -10.651 -15.410 1.00 0.00 C ATOM 555 OE1 GLU A 54 16.290 -11.115 -15.004 1.00 0.00 O ATOM 556 OE2 GLU A 54 14.531 -11.121 -16.397 1.00 0.00 O ATOM 0 H GLU A 54 14.955 -8.426 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 54 15.756 -6.436 -13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.366 -8.209 -14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.289 -9.057 -13.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.942 -9.751 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.989 -8.876 -15.436 1.00 0.00 H new ATOM 564 N LYS A 55 12.720 -7.707 -13.725 1.00 0.00 N ATOM 565 CA LYS A 55 11.373 -7.503 -14.230 1.00 0.00 C ATOM 566 C LYS A 55 10.902 -6.095 -13.862 1.00 0.00 C ATOM 567 O LYS A 55 10.218 -5.441 -14.647 1.00 0.00 O ATOM 568 CB LYS A 55 10.442 -8.612 -13.736 1.00 0.00 C ATOM 569 CG LYS A 55 9.464 -9.037 -14.833 1.00 0.00 C ATOM 570 CD LYS A 55 9.177 -10.538 -14.760 1.00 0.00 C ATOM 571 CE LYS A 55 8.168 -10.956 -15.831 1.00 0.00 C ATOM 572 NZ LYS A 55 8.774 -10.868 -17.178 1.00 0.00 N ATOM 0 H LYS A 55 12.814 -8.473 -13.058 1.00 0.00 H new ATOM 0 HA LYS A 55 11.360 -7.569 -15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.032 -9.471 -13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.887 -8.265 -12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.533 -8.480 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.878 -8.789 -15.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.104 -11.096 -14.891 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.790 -10.790 -13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.831 -11.976 -15.643 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.288 -10.315 -15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.141 -11.312 -17.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.918 -9.869 -17.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.690 -11.361 -17.180 1.00 0.00 H new ATOM 586 N PHE A 56 11.288 -5.670 -12.668 1.00 0.00 N ATOM 587 CA PHE A 56 10.914 -4.352 -12.186 1.00 0.00 C ATOM 588 C PHE A 56 11.768 -3.265 -12.842 1.00 0.00 C ATOM 589 O PHE A 56 11.281 -2.170 -13.120 1.00 0.00 O ATOM 590 CB PHE A 56 11.165 -4.339 -10.677 1.00 0.00 C ATOM 591 CG PHE A 56 10.875 -2.993 -10.009 1.00 0.00 C ATOM 592 CD1 PHE A 56 11.679 -1.924 -10.255 1.00 0.00 C ATOM 593 CD2 PHE A 56 9.812 -2.866 -9.169 1.00 0.00 C ATOM 594 CE1 PHE A 56 11.409 -0.676 -9.635 1.00 0.00 C ATOM 595 CE2 PHE A 56 9.543 -1.618 -8.549 1.00 0.00 C ATOM 596 CZ PHE A 56 10.347 -0.549 -8.795 1.00 0.00 C ATOM 0 H PHE A 56 11.856 -6.216 -12.020 1.00 0.00 H new ATOM 0 HA PHE A 56 9.870 -4.151 -12.427 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.547 -5.106 -10.210 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.204 -4.610 -10.490 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.523 -2.025 -10.922 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.173 -3.715 -8.974 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.047 0.173 -9.830 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.700 -1.517 -7.882 1.00 0.00 H new ATOM 0 HZ PHE A 56 10.142 0.401 -8.323 1.00 0.00 H new ATOM 606 N GLU A 57 13.028 -3.606 -13.071 1.00 0.00 N ATOM 607 CA GLU A 57 13.955 -2.673 -13.690 1.00 0.00 C ATOM 608 C GLU A 57 13.467 -2.289 -15.088 1.00 0.00 C ATOM 609 O GLU A 57 13.625 -1.145 -15.512 1.00 0.00 O ATOM 610 CB GLU A 57 15.368 -3.258 -13.743 1.00 0.00 C ATOM 611 CG GLU A 57 16.302 -2.360 -14.556 1.00 0.00 C ATOM 612 CD GLU A 57 16.215 -2.687 -16.048 1.00 0.00 C ATOM 613 OE1 GLU A 57 16.307 -3.862 -16.432 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.045 -1.667 -16.820 1.00 0.00 O ATOM 0 H GLU A 57 13.429 -4.515 -12.839 1.00 0.00 H new ATOM 0 HA GLU A 57 13.994 -1.771 -13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.757 -3.372 -12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.337 -4.253 -14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.040 -1.315 -14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.328 -2.489 -14.211 1.00 0.00 H new ATOM 622 N LYS A 58 12.885 -3.267 -15.767 1.00 0.00 N ATOM 623 CA LYS A 58 12.373 -3.046 -17.108 1.00 0.00 C ATOM 624 C LYS A 58 10.991 -2.396 -17.022 1.00 0.00 C ATOM 625 O LYS A 58 10.336 -2.183 -18.041 1.00 0.00 O ATOM 626 CB LYS A 58 12.391 -4.349 -17.910 1.00 0.00 C ATOM 627 CG LYS A 58 13.821 -4.865 -18.086 1.00 0.00 C ATOM 628 CD LYS A 58 14.682 -3.848 -18.837 1.00 0.00 C ATOM 629 CE LYS A 58 15.978 -4.490 -19.337 1.00 0.00 C ATOM 630 NZ LYS A 58 16.878 -3.464 -19.910 1.00 0.00 N ATOM 0 H LYS A 58 12.757 -4.215 -15.413 1.00 0.00 H new ATOM 0 HA LYS A 58 13.017 -2.355 -17.652 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.789 -5.102 -17.401 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.937 -4.185 -18.887 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.261 -5.069 -17.110 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.806 -5.808 -18.632 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.122 -3.445 -19.681 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.917 -3.010 -18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.478 -5.002 -18.515 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.750 -5.244 -20.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.752 -3.917 -20.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.405 -2.994 -20.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.110 -2.759 -19.181 1.00 0.00 H new ATOM 754 N VAL A 67 15.668 0.213 -5.909 1.00 0.00 N ATOM 755 CA VAL A 67 15.670 -1.151 -6.412 1.00 0.00 C ATOM 756 C VAL A 67 16.016 -2.109 -5.271 1.00 0.00 C ATOM 757 O VAL A 67 15.302 -3.084 -5.036 1.00 0.00 O ATOM 758 CB VAL A 67 16.625 -1.268 -7.601 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.070 -1.002 -7.173 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.497 -2.636 -8.274 1.00 0.00 C ATOM 0 HA VAL A 67 14.681 -1.425 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 67 16.346 -0.507 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.728 -1.092 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.148 0.004 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.365 -1.729 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.187 -2.693 -9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.737 -3.419 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.476 -2.772 -8.631 1.00 0.00 H new ATOM 770 N GLU A 68 17.110 -1.800 -4.591 1.00 0.00 N ATOM 771 CA GLU A 68 17.558 -2.622 -3.480 1.00 0.00 C ATOM 772 C GLU A 68 16.402 -2.886 -2.514 1.00 0.00 C ATOM 773 O GLU A 68 16.122 -4.035 -2.174 1.00 0.00 O ATOM 774 CB GLU A 68 18.739 -1.970 -2.757 1.00 0.00 C ATOM 775 CG GLU A 68 19.146 -2.785 -1.528 1.00 0.00 C ATOM 776 CD GLU A 68 20.344 -2.147 -0.820 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.786 -2.650 0.224 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.817 -1.093 -1.392 1.00 0.00 O ATOM 0 H GLU A 68 17.700 -0.991 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 68 17.900 -3.578 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.586 -1.885 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.471 -0.958 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.305 -2.854 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.396 -3.803 -1.828 1.00 0.00 H new ATOM 786 N GLU A 69 15.760 -1.804 -2.099 1.00 0.00 N ATOM 787 CA GLU A 69 14.640 -1.904 -1.179 1.00 0.00 C ATOM 788 C GLU A 69 13.460 -2.606 -1.854 1.00 0.00 C ATOM 789 O GLU A 69 12.663 -3.266 -1.189 1.00 0.00 O ATOM 790 CB GLU A 69 14.232 -0.524 -0.659 1.00 0.00 C ATOM 791 CG GLU A 69 13.739 -0.606 0.787 1.00 0.00 C ATOM 792 CD GLU A 69 14.895 -0.908 1.743 1.00 0.00 C ATOM 793 OE1 GLU A 69 15.003 -2.035 2.249 1.00 0.00 O ATOM 794 OE2 GLU A 69 15.699 0.079 1.955 1.00 0.00 O ATOM 0 H GLU A 69 15.994 -0.853 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 69 14.952 -2.501 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.081 0.157 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.447 -0.111 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.266 0.335 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.979 -1.383 0.873 1.00 0.00 H new ATOM 802 N LEU A 70 13.386 -2.441 -3.166 1.00 0.00 N ATOM 803 CA LEU A 70 12.317 -3.051 -3.938 1.00 0.00 C ATOM 804 C LEU A 70 12.439 -4.573 -3.856 1.00 0.00 C ATOM 805 O LEU A 70 11.483 -5.258 -3.494 1.00 0.00 O ATOM 806 CB LEU A 70 12.314 -2.510 -5.370 1.00 0.00 C ATOM 807 CG LEU A 70 10.939 -2.230 -5.978 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.323 -3.507 -6.553 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.016 -1.557 -4.961 1.00 0.00 C ATOM 0 H LEU A 70 14.049 -1.893 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 70 11.346 -2.786 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.893 -1.587 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.833 -3.225 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 70 11.068 -1.533 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.346 -3.280 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.974 -3.907 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.210 -4.246 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.045 -1.369 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.889 -2.209 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.455 -0.612 -4.641 1.00 0.00 H new ATOM 821 N VAL A 71 13.623 -5.059 -4.199 1.00 0.00 N ATOM 822 CA VAL A 71 13.883 -6.489 -4.168 1.00 0.00 C ATOM 823 C VAL A 71 13.692 -7.007 -2.742 1.00 0.00 C ATOM 824 O VAL A 71 13.138 -8.086 -2.538 1.00 0.00 O ATOM 825 CB VAL A 71 15.277 -6.779 -4.728 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.354 -6.428 -6.215 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.353 -6.038 -3.933 1.00 0.00 C ATOM 0 H VAL A 71 14.413 -4.488 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 71 13.175 -7.020 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 71 15.463 -7.848 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.355 -6.644 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.625 -7.021 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.137 -5.369 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.334 -6.262 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.171 -4.965 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.322 -6.359 -2.892 1.00 0.00 H new ATOM 837 N LYS A 72 14.162 -6.214 -1.790 1.00 0.00 N ATOM 838 CA LYS A 72 14.050 -6.579 -0.388 1.00 0.00 C ATOM 839 C LYS A 72 12.572 -6.719 -0.019 1.00 0.00 C ATOM 840 O LYS A 72 12.205 -7.586 0.774 1.00 0.00 O ATOM 841 CB LYS A 72 14.811 -5.582 0.488 1.00 0.00 C ATOM 842 CG LYS A 72 15.345 -6.259 1.752 1.00 0.00 C ATOM 843 CD LYS A 72 14.198 -6.718 2.654 1.00 0.00 C ATOM 844 CE LYS A 72 14.658 -6.837 4.109 1.00 0.00 C ATOM 845 NZ LYS A 72 15.881 -7.666 4.199 1.00 0.00 N ATOM 0 H LYS A 72 14.621 -5.320 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 72 14.517 -7.547 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.639 -5.154 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.153 -4.758 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.962 -7.115 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.986 -5.566 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.372 -6.010 2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.821 -7.681 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.853 -5.845 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.866 -7.280 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.046 -7.935 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.762 -8.524 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.695 -7.123 3.847 1.00 0.00 H new ATOM 859 N LYS A 73 11.762 -5.853 -0.610 1.00 0.00 N ATOM 860 CA LYS A 73 10.332 -5.869 -0.353 1.00 0.00 C ATOM 861 C LYS A 73 9.699 -7.050 -1.091 1.00 0.00 C ATOM 862 O LYS A 73 8.660 -7.561 -0.676 1.00 0.00 O ATOM 863 CB LYS A 73 9.709 -4.517 -0.707 1.00 0.00 C ATOM 864 CG LYS A 73 8.709 -4.077 0.365 1.00 0.00 C ATOM 865 CD LYS A 73 8.632 -2.551 0.449 1.00 0.00 C ATOM 866 CE LYS A 73 9.364 -2.032 1.688 1.00 0.00 C ATOM 867 NZ LYS A 73 10.756 -1.661 1.349 1.00 0.00 N ATOM 0 H LYS A 73 12.069 -5.135 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 73 10.137 -6.015 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.493 -3.767 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.207 -4.585 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.723 -4.482 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.005 -4.484 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.070 -2.111 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.589 -2.237 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.839 -1.167 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.364 -2.797 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.175 -1.127 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.313 -2.522 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.759 -1.073 0.492 1.00 0.00 H new ATOM 881 N VAL A 74 10.352 -7.449 -2.173 1.00 0.00 N ATOM 882 CA VAL A 74 9.865 -8.561 -2.972 1.00 0.00 C ATOM 883 C VAL A 74 10.095 -9.869 -2.213 1.00 0.00 C ATOM 884 O VAL A 74 9.225 -10.738 -2.188 1.00 0.00 O ATOM 885 CB VAL A 74 10.530 -8.544 -4.350 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.054 -9.722 -5.203 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.281 -7.214 -5.064 1.00 0.00 C ATOM 0 H VAL A 74 11.213 -7.023 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 74 8.792 -8.469 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 74 11.605 -8.649 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.542 -9.686 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.307 -10.658 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.974 -9.662 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.765 -7.229 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.209 -7.065 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.692 -6.399 -4.468 1.00 0.00 H new ATOM 897 N VAL A 75 11.272 -9.968 -1.612 1.00 0.00 N ATOM 898 CA VAL A 75 11.627 -11.155 -0.854 1.00 0.00 C ATOM 899 C VAL A 75 10.808 -11.195 0.438 1.00 0.00 C ATOM 900 O VAL A 75 10.382 -12.263 0.875 1.00 0.00 O ATOM 901 CB VAL A 75 13.137 -11.185 -0.605 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.480 -10.583 0.759 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.685 -12.608 -0.730 1.00 0.00 C ATOM 0 H VAL A 75 11.992 -9.245 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 75 11.386 -12.055 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 75 13.615 -10.574 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.559 -10.617 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.141 -9.548 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.985 -11.155 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.760 -12.601 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.197 -13.251 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.489 -12.987 -1.733 1.00 0.00 H new ATOM 913 N ALA A 76 10.612 -10.017 1.013 1.00 0.00 N ATOM 914 CA ALA A 76 9.852 -9.904 2.246 1.00 0.00 C ATOM 915 C ALA A 76 8.391 -10.271 1.975 1.00 0.00 C ATOM 916 O ALA A 76 7.808 -11.083 2.692 1.00 0.00 O ATOM 917 CB ALA A 76 10.002 -8.490 2.810 1.00 0.00 C ATOM 0 H ALA A 76 10.966 -9.133 0.648 1.00 0.00 H new ATOM 0 HA ALA A 76 10.233 -10.597 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.432 -8.405 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.054 -8.289 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.627 -7.767 2.085 1.00 0.00 H new ATOM 923 N VAL A 77 7.842 -9.656 0.938 1.00 0.00 N ATOM 924 CA VAL A 77 6.461 -9.908 0.563 1.00 0.00 C ATOM 925 C VAL A 77 6.319 -11.361 0.104 1.00 0.00 C ATOM 926 O VAL A 77 5.337 -12.026 0.431 1.00 0.00 O ATOM 927 CB VAL A 77 6.014 -8.900 -0.497 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.581 -9.182 -0.952 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.155 -7.466 0.016 1.00 0.00 C ATOM 0 H VAL A 77 8.329 -8.983 0.345 1.00 0.00 H new ATOM 0 HA VAL A 77 5.802 -9.772 1.420 1.00 0.00 H new ATOM 0 HB VAL A 77 6.668 -9.011 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.288 -8.451 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.525 -10.184 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.908 -9.112 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.831 -6.769 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.538 -7.335 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.198 -7.270 0.267 1.00 0.00 H new ATOM 939 N CYS A 78 7.314 -11.811 -0.646 1.00 0.00 N ATOM 940 CA CYS A 78 7.312 -13.173 -1.153 1.00 0.00 C ATOM 941 C CYS A 78 7.276 -14.130 0.041 1.00 0.00 C ATOM 942 O CYS A 78 6.448 -15.038 0.088 1.00 0.00 O ATOM 943 CB CYS A 78 8.514 -13.440 -2.062 1.00 0.00 C ATOM 944 SG CYS A 78 8.770 -15.243 -2.247 1.00 0.00 S ATOM 0 H CYS A 78 8.127 -11.257 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 78 6.429 -13.332 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.350 -12.985 -3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.408 -12.979 -1.642 1.00 0.00 H new ATOM 0 HG CYS A 78 9.791 -15.459 -3.022 1.00 0.00 H new ATOM 950 N GLU A 79 8.184 -13.893 0.976 1.00 0.00 N ATOM 951 CA GLU A 79 8.266 -14.723 2.166 1.00 0.00 C ATOM 952 C GLU A 79 7.025 -14.523 3.039 1.00 0.00 C ATOM 953 O GLU A 79 6.604 -15.439 3.745 1.00 0.00 O ATOM 954 CB GLU A 79 9.543 -14.426 2.955 1.00 0.00 C ATOM 955 CG GLU A 79 10.783 -14.873 2.178 1.00 0.00 C ATOM 956 CD GLU A 79 11.149 -16.320 2.516 1.00 0.00 C ATOM 957 OE1 GLU A 79 10.296 -17.215 2.415 1.00 0.00 O ATOM 958 OE2 GLU A 79 12.369 -16.500 2.894 1.00 0.00 O ATOM 0 H GLU A 79 8.869 -13.138 0.934 1.00 0.00 H new ATOM 0 HA GLU A 79 8.304 -15.767 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.606 -13.358 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.508 -14.938 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.599 -14.781 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.621 -14.217 2.415 1.00 0.00 H new ATOM 966 N GLU A 80 6.473 -13.321 2.961 1.00 0.00 N ATOM 967 CA GLU A 80 5.288 -12.991 3.735 1.00 0.00 C ATOM 968 C GLU A 80 4.044 -13.604 3.089 1.00 0.00 C ATOM 969 O GLU A 80 3.012 -13.755 3.742 1.00 0.00 O ATOM 970 CB GLU A 80 5.137 -11.476 3.886 1.00 0.00 C ATOM 971 CG GLU A 80 6.064 -10.938 4.978 1.00 0.00 C ATOM 972 CD GLU A 80 5.501 -11.234 6.369 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.275 -11.237 6.554 1.00 0.00 O ATOM 974 OE2 GLU A 80 6.387 -11.466 7.278 1.00 0.00 O ATOM 0 H GLU A 80 6.824 -12.564 2.374 1.00 0.00 H new ATOM 0 HA GLU A 80 5.400 -13.414 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.364 -10.988 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.103 -11.233 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.051 -11.390 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.192 -9.863 4.855 1.00 0.00 H new ATOM 982 N LEU A 81 4.183 -13.941 1.816 1.00 0.00 N ATOM 983 CA LEU A 81 3.083 -14.535 1.075 1.00 0.00 C ATOM 984 C LEU A 81 3.052 -16.042 1.336 1.00 0.00 C ATOM 985 O LEU A 81 2.310 -16.774 0.683 1.00 0.00 O ATOM 986 CB LEU A 81 3.177 -14.170 -0.408 1.00 0.00 C ATOM 987 CG LEU A 81 1.858 -13.808 -1.095 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.056 -13.625 -2.601 1.00 0.00 C ATOM 989 CD2 LEU A 81 0.775 -14.841 -0.780 1.00 0.00 C ATOM 0 H LEU A 81 5.040 -13.814 1.278 1.00 0.00 H new ATOM 0 HA LEU A 81 2.131 -14.132 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.861 -13.328 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.623 -15.010 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 81 1.517 -12.852 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.103 -13.368 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.774 -12.824 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.432 -14.552 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.152 -14.560 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.095 -15.822 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.610 -14.878 0.297 1.00 0.00 H new ATOM 1001 N GLY A 82 3.868 -16.461 2.292 1.00 0.00 N ATOM 1002 CA GLY A 82 3.944 -17.868 2.647 1.00 0.00 C ATOM 1003 C GLY A 82 3.803 -18.755 1.409 1.00 0.00 C ATOM 1004 O GLY A 82 3.068 -19.741 1.427 1.00 0.00 O ATOM 0 H GLY A 82 4.482 -15.851 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.896 -18.072 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.158 -18.109 3.363 1.00 0.00 H new ATOM 1008 N ALA A 83 4.520 -18.373 0.362 1.00 0.00 N ATOM 1009 CA ALA A 83 4.484 -19.121 -0.883 1.00 0.00 C ATOM 1010 C ALA A 83 5.363 -20.366 -0.751 1.00 0.00 C ATOM 1011 O ALA A 83 6.588 -20.276 -0.824 1.00 0.00 O ATOM 1012 CB ALA A 83 4.924 -18.216 -2.036 1.00 0.00 C ATOM 0 H ALA A 83 5.129 -17.555 0.351 1.00 0.00 H new ATOM 0 HA ALA A 83 3.470 -19.455 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.897 -18.777 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.250 -17.362 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.939 -17.863 -1.854 1.00 0.00 H new ATOM 1018 N GLU A 84 4.704 -21.499 -0.558 1.00 0.00 N ATOM 1019 CA GLU A 84 5.411 -22.761 -0.415 1.00 0.00 C ATOM 1020 C GLU A 84 4.904 -23.773 -1.443 1.00 0.00 C ATOM 1021 O GLU A 84 5.679 -24.567 -1.973 1.00 0.00 O ATOM 1022 CB GLU A 84 5.274 -23.308 1.007 1.00 0.00 C ATOM 1023 CG GLU A 84 3.885 -23.012 1.577 1.00 0.00 C ATOM 1024 CD GLU A 84 2.826 -23.909 0.932 1.00 0.00 C ATOM 1025 OE1 GLU A 84 3.143 -25.022 0.488 1.00 0.00 O ATOM 1026 OE2 GLU A 84 1.635 -23.412 0.902 1.00 0.00 O ATOM 0 H GLU A 84 3.688 -21.570 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 84 6.470 -22.584 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.448 -24.384 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.036 -22.863 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.890 -23.167 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.633 -21.965 1.406 1.00 0.00 H new ATOM 1034 N GLU A 85 3.604 -23.713 -1.695 1.00 0.00 N ATOM 1035 CA GLU A 85 2.984 -24.615 -2.650 1.00 0.00 C ATOM 1036 C GLU A 85 1.480 -24.716 -2.386 1.00 0.00 C ATOM 1037 O GLU A 85 1.018 -24.413 -1.287 1.00 0.00 O ATOM 1038 CB GLU A 85 3.642 -25.995 -2.608 1.00 0.00 C ATOM 1039 CG GLU A 85 4.635 -26.164 -3.760 1.00 0.00 C ATOM 1040 CD GLU A 85 3.997 -26.923 -4.927 1.00 0.00 C ATOM 1041 OE1 GLU A 85 3.167 -26.358 -5.653 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.394 -28.142 -5.066 1.00 0.00 O ATOM 0 H GLU A 85 2.963 -23.053 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 85 3.131 -24.209 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.157 -26.127 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.877 -26.769 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.973 -25.185 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.516 -26.702 -3.410 1.00 0.00 H new ATOM 1050 N CYS A 86 0.759 -25.143 -3.412 1.00 0.00 N ATOM 1051 CA CYS A 86 -0.683 -25.288 -3.304 1.00 0.00 C ATOM 1052 C CYS A 86 -0.983 -26.652 -2.679 1.00 0.00 C ATOM 1053 O CYS A 86 -1.298 -27.607 -3.387 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.372 -25.117 -4.660 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.189 -25.158 -4.448 1.00 0.00 S ATOM 0 H CYS A 86 1.146 -25.393 -4.322 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.084 -24.501 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.072 -24.172 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.059 -25.910 -5.339 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.481 -25.731 -3.318 1.00 0.00 H new ATOM 1060 N PHE A 87 -0.875 -26.699 -1.359 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.131 -27.930 -0.631 1.00 0.00 C ATOM 1062 C PHE A 87 -2.398 -28.617 -1.144 1.00 0.00 C ATOM 1063 O PHE A 87 -2.403 -29.825 -1.375 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.331 -27.548 0.837 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.645 -26.815 1.116 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -3.782 -27.523 1.352 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -2.676 -25.456 1.127 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -5.001 -26.843 1.611 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.895 -24.775 1.386 1.00 0.00 C ATOM 1070 CZ PHE A 87 -5.032 -25.484 1.623 1.00 0.00 C ATOM 0 H PHE A 87 -0.614 -25.904 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.297 -28.620 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.295 -28.452 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.501 -26.917 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.758 -28.603 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.773 -24.894 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.904 -27.405 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.920 -23.695 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.959 -24.967 1.821 1.00 0.00 H new ATOM 1080 N SER A 88 -3.442 -27.817 -1.308 1.00 0.00 N ATOM 1081 CA SER A 88 -4.712 -28.333 -1.789 1.00 0.00 C ATOM 1082 C SER A 88 -4.495 -29.155 -3.062 1.00 0.00 C ATOM 1083 O SER A 88 -5.065 -30.234 -3.213 1.00 0.00 O ATOM 1084 CB SER A 88 -5.703 -27.198 -2.053 1.00 0.00 C ATOM 1085 OG SER A 88 -6.822 -27.250 -1.172 1.00 0.00 O ATOM 0 H SER A 88 -3.434 -26.815 -1.116 1.00 0.00 H new ATOM 0 HA SER A 88 -5.134 -28.976 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.196 -26.240 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.051 -27.253 -3.085 1.00 0.00 H new ATOM 0 HG SER A 88 -6.515 -27.148 -0.247 1.00 0.00 H new ATOM 1091 N CYS A 89 -3.668 -28.613 -3.944 1.00 0.00 N ATOM 1092 CA CYS A 89 -3.368 -29.282 -5.198 1.00 0.00 C ATOM 1093 C CYS A 89 -2.746 -30.643 -4.880 1.00 0.00 C ATOM 1094 O CYS A 89 -2.881 -31.588 -5.656 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.458 -28.433 -6.089 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.448 -27.605 -7.386 1.00 0.00 S ATOM 0 H CYS A 89 -3.196 -27.718 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.288 -29.427 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.937 -27.689 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.695 -29.062 -6.548 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.133 -26.345 -7.434 1.00 0.00 H new