USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 41:sc= 0.122 USER MOD Single : A 28 ASN : amide:sc= -0.256 K(o=-0.26,f=-0.93) USER MOD Single : A 30 ASN : amide:sc= -3.37! C(o=-3.4!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0852) USER MOD Single : A 42 TYR OH : rot -26:sc= 0.0997 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.18) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -2.09! USER MOD Single : A 86 MET CE :methyl 169:sc= -0.0182 (180deg=-0.2) USER MOD Single : A 87 THR OG1 : rot 78:sc= 0.71 USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0201) USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.568) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.815 -27.216 28.724 1.00 0.00 N ATOM 59 CA GLY A 5 -14.240 -26.808 27.397 1.00 0.00 C ATOM 60 C GLY A 5 -15.720 -27.030 27.170 1.00 0.00 C ATOM 61 O GLY A 5 -16.408 -26.172 26.616 1.00 0.00 O ATOM 0 HA2 GLY A 5 -14.008 -25.753 27.253 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.673 -27.364 26.650 1.00 0.00 H new ATOM 65 N SER A 6 -16.210 -28.172 27.594 1.00 0.00 N ATOM 66 CA SER A 6 -17.617 -28.476 27.452 1.00 0.00 C ATOM 67 C SER A 6 -18.327 -28.332 28.790 1.00 0.00 C ATOM 68 O SER A 6 -17.808 -28.748 29.828 1.00 0.00 O ATOM 69 CB SER A 6 -17.810 -29.881 26.874 1.00 0.00 C ATOM 70 OG SER A 6 -17.091 -30.851 27.622 1.00 0.00 O ATOM 0 H SER A 6 -15.658 -28.905 28.039 1.00 0.00 H new ATOM 0 HA SER A 6 -18.059 -27.764 26.755 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.870 -30.133 26.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.476 -29.899 25.836 1.00 0.00 H new ATOM 0 HG SER A 6 -17.235 -31.738 27.231 1.00 0.00 H new ATOM 76 N LEU A 7 -19.499 -27.744 28.763 1.00 0.00 N ATOM 77 CA LEU A 7 -20.255 -27.502 29.973 1.00 0.00 C ATOM 78 C LEU A 7 -21.512 -28.328 30.033 1.00 0.00 C ATOM 79 O LEU A 7 -22.202 -28.510 29.025 1.00 0.00 O ATOM 80 CB LEU A 7 -20.611 -26.020 30.100 1.00 0.00 C ATOM 81 CG LEU A 7 -19.465 -25.098 30.484 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.887 -23.643 30.355 1.00 0.00 C ATOM 83 CD2 LEU A 7 -19.025 -25.399 31.907 1.00 0.00 C ATOM 0 H LEU A 7 -19.955 -27.421 27.910 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.618 -27.798 30.806 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.023 -25.681 29.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.401 -25.917 30.844 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.628 -25.270 29.808 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.055 -22.997 30.634 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.176 -23.438 29.324 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.733 -23.450 31.014 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.203 -24.737 32.181 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.861 -25.240 32.588 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.694 -26.435 31.974 1.00 0.00 H new ATOM 95 N LYS A 8 -21.791 -28.846 31.213 1.00 0.00 N ATOM 96 CA LYS A 8 -23.021 -29.547 31.473 1.00 0.00 C ATOM 97 C LYS A 8 -24.065 -28.501 31.835 1.00 0.00 C ATOM 98 O LYS A 8 -24.097 -27.990 32.956 1.00 0.00 O ATOM 99 CB LYS A 8 -22.818 -30.542 32.611 1.00 0.00 C ATOM 100 CG LYS A 8 -24.027 -31.403 32.924 1.00 0.00 C ATOM 101 CD LYS A 8 -23.713 -32.377 34.045 1.00 0.00 C ATOM 102 CE LYS A 8 -24.905 -33.264 34.370 1.00 0.00 C ATOM 103 NZ LYS A 8 -24.609 -34.226 35.464 1.00 0.00 N ATOM 0 H LYS A 8 -21.166 -28.789 32.017 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.348 -30.114 30.601 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.980 -31.193 32.361 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.538 -29.993 33.510 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.867 -30.770 33.210 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.330 -31.952 32.032 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.864 -32.998 33.760 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.418 -31.823 34.936 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -25.752 -32.641 34.656 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.201 -33.813 33.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.450 -34.809 35.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.818 -34.840 35.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.352 -33.703 36.326 1.00 0.00 H new ATOM 117 N VAL A 9 -24.894 -28.184 30.883 1.00 0.00 N ATOM 118 CA VAL A 9 -25.821 -27.084 30.997 1.00 0.00 C ATOM 119 C VAL A 9 -27.231 -27.578 31.268 1.00 0.00 C ATOM 120 O VAL A 9 -27.721 -28.492 30.606 1.00 0.00 O ATOM 121 CB VAL A 9 -25.758 -26.247 29.699 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.814 -25.171 29.633 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.385 -25.637 29.559 1.00 0.00 C ATOM 0 H VAL A 9 -24.950 -28.683 29.995 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.540 -26.459 31.844 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.958 -26.926 28.870 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.715 -24.620 28.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.802 -25.628 29.682 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.689 -24.486 30.472 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.341 -25.047 28.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.184 -24.994 30.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.638 -26.429 29.516 1.00 0.00 H new ATOM 133 N TYR A 10 -27.868 -26.975 32.260 1.00 0.00 N ATOM 134 CA TYR A 10 -29.194 -27.373 32.676 1.00 0.00 C ATOM 135 C TYR A 10 -30.255 -26.437 32.108 1.00 0.00 C ATOM 136 O TYR A 10 -30.297 -25.246 32.429 1.00 0.00 O ATOM 137 CB TYR A 10 -29.249 -27.443 34.220 1.00 0.00 C ATOM 138 CG TYR A 10 -30.597 -27.824 34.820 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.039 -29.139 34.806 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.401 -26.873 35.443 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.240 -29.501 35.382 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.608 -27.230 36.023 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.022 -28.544 35.987 1.00 0.00 C ATOM 144 OH TYR A 10 -34.218 -28.903 36.564 1.00 0.00 O ATOM 0 H TYR A 10 -27.478 -26.199 32.795 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.412 -28.364 32.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.505 -28.164 34.559 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.956 -26.472 34.619 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.430 -29.896 34.334 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.079 -25.842 35.475 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.564 -30.531 35.358 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.222 -26.481 36.501 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.647 -28.110 36.948 1.00 0.00 H new ATOM 154 N GLY A 11 -31.098 -26.997 31.252 1.00 0.00 N ATOM 155 CA GLY A 11 -32.170 -26.250 30.628 1.00 0.00 C ATOM 156 C GLY A 11 -33.499 -26.554 31.270 1.00 0.00 C ATOM 157 O GLY A 11 -34.549 -26.491 30.619 1.00 0.00 O ATOM 0 H GLY A 11 -31.055 -27.978 30.974 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.963 -25.182 30.704 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.214 -26.492 29.566 1.00 0.00 H new ATOM 161 N GLY A 12 -33.453 -26.900 32.556 1.00 0.00 N ATOM 162 CA GLY A 12 -34.654 -27.226 33.298 1.00 0.00 C ATOM 163 C GLY A 12 -35.650 -26.088 33.305 1.00 0.00 C ATOM 164 O GLY A 12 -35.295 -24.946 32.988 1.00 0.00 O ATOM 0 H GLY A 12 -32.592 -26.960 33.100 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.119 -28.110 32.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.387 -27.479 34.324 1.00 0.00 H new ATOM 168 N GLU A 13 -36.892 -26.399 33.680 1.00 0.00 N ATOM 169 CA GLU A 13 -38.000 -25.441 33.653 1.00 0.00 C ATOM 170 C GLU A 13 -38.439 -25.164 32.219 1.00 0.00 C ATOM 171 O GLU A 13 -39.614 -25.310 31.885 1.00 0.00 O ATOM 172 CB GLU A 13 -37.648 -24.132 34.393 1.00 0.00 C ATOM 173 CG GLU A 13 -37.532 -24.293 35.902 1.00 0.00 C ATOM 174 CD GLU A 13 -38.839 -24.698 36.523 1.00 0.00 C ATOM 175 OE1 GLU A 13 -39.810 -23.913 36.416 1.00 0.00 O ATOM 176 OE2 GLU A 13 -38.910 -25.795 37.109 1.00 0.00 O ATOM 0 H GLU A 13 -37.159 -27.326 34.012 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.837 -25.892 34.185 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -36.705 -23.748 34.004 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -38.411 -23.385 34.174 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -36.774 -25.042 36.130 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.196 -23.355 36.343 1.00 0.00 H new ATOM 183 N ILE A 14 -37.493 -24.764 31.378 1.00 0.00 N ATOM 184 CA ILE A 14 -37.775 -24.482 29.980 1.00 0.00 C ATOM 185 C ILE A 14 -38.114 -25.765 29.204 1.00 0.00 C ATOM 186 O ILE A 14 -39.126 -25.825 28.496 1.00 0.00 O ATOM 187 CB ILE A 14 -36.576 -23.783 29.298 1.00 0.00 C ATOM 188 CG1 ILE A 14 -36.198 -22.514 30.065 1.00 0.00 C ATOM 189 CG2 ILE A 14 -36.911 -23.442 27.847 1.00 0.00 C ATOM 190 CD1 ILE A 14 -34.950 -21.838 29.543 1.00 0.00 C ATOM 0 H ILE A 14 -36.518 -24.628 31.645 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.639 -23.817 29.962 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.726 -24.466 29.307 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -37.029 -21.810 30.017 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -36.052 -22.765 31.116 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -36.056 -22.951 27.382 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.144 -24.357 27.303 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.772 -22.775 27.820 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.744 -20.946 30.135 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.107 -22.525 29.616 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -35.098 -21.555 28.501 1.00 0.00 H new ATOM 202 N VAL A 15 -37.281 -26.793 29.368 1.00 0.00 N ATOM 203 CA VAL A 15 -37.470 -28.062 28.660 1.00 0.00 C ATOM 204 C VAL A 15 -37.257 -29.268 29.573 1.00 0.00 C ATOM 205 O VAL A 15 -36.127 -29.674 29.837 1.00 0.00 O ATOM 206 CB VAL A 15 -36.534 -28.195 27.429 1.00 0.00 C ATOM 207 CG1 VAL A 15 -37.108 -27.460 26.233 1.00 0.00 C ATOM 208 CG2 VAL A 15 -35.144 -27.672 27.754 1.00 0.00 C ATOM 0 H VAL A 15 -36.469 -26.773 29.984 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.505 -28.051 28.318 1.00 0.00 H new ATOM 0 HB VAL A 15 -36.456 -29.253 27.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.435 -27.567 25.383 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -38.081 -27.880 25.981 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.221 -26.403 26.475 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -34.503 -27.774 26.878 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -35.208 -26.621 28.037 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -34.724 -28.245 28.580 1.00 0.00 H new ATOM 218 N PRO A 16 -38.352 -29.845 30.080 1.00 0.00 N ATOM 219 CA PRO A 16 -38.302 -31.044 30.937 1.00 0.00 C ATOM 220 C PRO A 16 -37.706 -32.258 30.209 1.00 0.00 C ATOM 221 O PRO A 16 -37.094 -33.126 30.827 1.00 0.00 O ATOM 222 CB PRO A 16 -39.778 -31.305 31.270 1.00 0.00 C ATOM 223 CG PRO A 16 -40.451 -30.000 31.040 1.00 0.00 C ATOM 224 CD PRO A 16 -39.730 -29.371 29.890 1.00 0.00 C ATOM 0 HA PRO A 16 -37.669 -30.890 31.811 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.196 -32.084 30.633 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -39.899 -31.637 32.301 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.508 -30.139 30.811 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -40.398 -29.370 31.928 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.140 -29.689 28.931 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.792 -28.283 29.918 1.00 0.00 H new ATOM 232 N THR A 17 -37.897 -32.306 28.895 1.00 0.00 N ATOM 233 CA THR A 17 -37.419 -33.419 28.084 1.00 0.00 C ATOM 234 C THR A 17 -35.885 -33.479 28.033 1.00 0.00 C ATOM 235 O THR A 17 -35.303 -34.564 28.031 1.00 0.00 O ATOM 236 CB THR A 17 -38.007 -33.375 26.647 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.547 -34.501 25.888 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.624 -32.084 25.927 1.00 0.00 C ATOM 0 H THR A 17 -38.383 -31.582 28.366 1.00 0.00 H new ATOM 0 HA THR A 17 -37.772 -34.329 28.570 1.00 0.00 H new ATOM 0 HB THR A 17 -39.093 -33.411 26.734 1.00 0.00 H new ATOM 0 HG1 THR A 17 -37.925 -34.463 24.985 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.052 -32.086 24.924 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.008 -31.229 26.484 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.538 -32.014 25.858 1.00 0.00 H new ATOM 246 N ARG A 18 -35.240 -32.323 27.990 1.00 0.00 N ATOM 247 CA ARG A 18 -33.788 -32.268 27.952 1.00 0.00 C ATOM 248 C ARG A 18 -33.254 -31.367 29.056 1.00 0.00 C ATOM 249 O ARG A 18 -32.900 -30.222 28.808 1.00 0.00 O ATOM 250 CB ARG A 18 -33.297 -31.783 26.584 1.00 0.00 C ATOM 251 CG ARG A 18 -33.494 -32.791 25.465 1.00 0.00 C ATOM 252 CD ARG A 18 -33.023 -32.240 24.126 1.00 0.00 C ATOM 253 NE ARG A 18 -33.072 -33.256 23.075 1.00 0.00 N ATOM 254 CZ ARG A 18 -32.677 -33.072 21.811 1.00 0.00 C ATOM 255 NH1 ARG A 18 -32.241 -31.880 21.405 1.00 0.00 N ATOM 256 NH2 ARG A 18 -32.730 -34.083 20.952 1.00 0.00 N ATOM 0 H ARG A 18 -35.699 -31.412 27.981 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.409 -33.277 28.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -33.821 -30.863 26.327 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -32.237 -31.537 26.656 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -32.946 -33.704 25.696 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -34.548 -33.060 25.398 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -33.646 -31.392 23.842 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -32.003 -31.867 24.224 1.00 0.00 H new ATOM 0 HE ARG A 18 -33.435 -34.176 23.326 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -32.207 -31.099 22.060 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -31.942 -31.748 20.439 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -33.071 -34.995 21.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -32.430 -33.948 19.987 1.00 0.00 H new ATOM 270 N PRO A 19 -33.218 -31.872 30.304 1.00 0.00 N ATOM 271 CA PRO A 19 -32.739 -31.100 31.451 1.00 0.00 C ATOM 272 C PRO A 19 -31.262 -30.733 31.337 1.00 0.00 C ATOM 273 O PRO A 19 -30.841 -29.695 31.827 1.00 0.00 O ATOM 274 CB PRO A 19 -32.966 -32.040 32.645 1.00 0.00 C ATOM 275 CG PRO A 19 -33.030 -33.402 32.050 1.00 0.00 C ATOM 276 CD PRO A 19 -33.645 -33.228 30.695 1.00 0.00 C ATOM 0 HA PRO A 19 -33.261 -30.147 31.537 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.155 -31.962 33.369 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -33.888 -31.795 33.172 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.036 -33.843 31.974 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -33.629 -34.071 32.668 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.289 -33.981 29.992 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.731 -33.314 30.731 1.00 0.00 H new ATOM 284 N TYR A 20 -30.479 -31.584 30.686 1.00 0.00 N ATOM 285 CA TYR A 20 -29.052 -31.338 30.555 1.00 0.00 C ATOM 286 C TYR A 20 -28.579 -31.461 29.120 1.00 0.00 C ATOM 287 O TYR A 20 -29.002 -32.356 28.384 1.00 0.00 O ATOM 288 CB TYR A 20 -28.239 -32.286 31.445 1.00 0.00 C ATOM 289 CG TYR A 20 -28.453 -32.081 32.927 1.00 0.00 C ATOM 290 CD1 TYR A 20 -27.788 -31.069 33.609 1.00 0.00 C ATOM 291 CD2 TYR A 20 -29.317 -32.897 33.644 1.00 0.00 C ATOM 292 CE1 TYR A 20 -27.978 -30.877 34.962 1.00 0.00 C ATOM 293 CE2 TYR A 20 -29.513 -32.711 34.995 1.00 0.00 C ATOM 294 CZ TYR A 20 -28.842 -31.701 35.650 1.00 0.00 C ATOM 295 OH TYR A 20 -29.037 -31.513 37.000 1.00 0.00 O ATOM 0 H TYR A 20 -30.806 -32.443 30.244 1.00 0.00 H new ATOM 0 HA TYR A 20 -28.887 -30.311 30.881 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.496 -33.314 31.191 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.180 -32.158 31.221 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.111 -30.422 33.071 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -29.844 -33.690 33.135 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.453 -30.087 35.478 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -30.190 -33.354 35.538 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.677 -32.176 37.334 1.00 0.00 H new ATOM 305 N VAL A 21 -27.714 -30.554 28.731 1.00 0.00 N ATOM 306 CA VAL A 21 -27.094 -30.586 27.426 1.00 0.00 C ATOM 307 C VAL A 21 -25.639 -30.182 27.550 1.00 0.00 C ATOM 308 O VAL A 21 -25.258 -29.478 28.486 1.00 0.00 O ATOM 309 CB VAL A 21 -27.818 -29.666 26.402 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.752 -28.206 26.817 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.259 -29.855 25.002 1.00 0.00 C ATOM 0 H VAL A 21 -27.419 -29.770 29.313 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.170 -31.605 27.048 1.00 0.00 H new ATOM 0 HB VAL A 21 -28.868 -29.959 26.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.268 -27.594 26.078 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.230 -28.082 27.789 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.710 -27.893 26.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -27.785 -29.199 24.309 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.197 -29.610 24.998 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.394 -30.892 24.693 1.00 0.00 H new ATOM 321 N SER A 22 -24.842 -30.640 26.640 1.00 0.00 N ATOM 322 CA SER A 22 -23.431 -30.336 26.646 1.00 0.00 C ATOM 323 C SER A 22 -23.117 -29.272 25.605 1.00 0.00 C ATOM 324 O SER A 22 -23.396 -29.453 24.419 1.00 0.00 O ATOM 325 CB SER A 22 -22.620 -31.604 26.381 1.00 0.00 C ATOM 326 OG SER A 22 -23.110 -32.294 25.237 1.00 0.00 O ATOM 0 H SER A 22 -25.141 -31.236 25.868 1.00 0.00 H new ATOM 0 HA SER A 22 -23.157 -29.948 27.627 1.00 0.00 H new ATOM 0 HB2 SER A 22 -21.572 -31.345 26.232 1.00 0.00 H new ATOM 0 HB3 SER A 22 -22.666 -32.258 27.252 1.00 0.00 H new ATOM 0 HG SER A 22 -23.338 -31.647 24.538 1.00 0.00 H new ATOM 332 N ILE A 23 -22.554 -28.163 26.041 1.00 0.00 N ATOM 333 CA ILE A 23 -22.226 -27.086 25.125 1.00 0.00 C ATOM 334 C ILE A 23 -20.738 -26.801 25.175 1.00 0.00 C ATOM 335 O ILE A 23 -20.072 -27.129 26.160 1.00 0.00 O ATOM 336 CB ILE A 23 -22.987 -25.782 25.462 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.484 -25.190 26.782 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.483 -26.061 25.534 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.982 -23.786 27.042 1.00 0.00 C ATOM 0 H ILE A 23 -22.315 -27.983 27.016 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.524 -27.412 24.129 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.803 -25.052 24.673 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.796 -25.836 27.603 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.394 -25.185 26.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -25.014 -25.139 25.772 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.829 -26.442 24.573 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.678 -26.802 26.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.587 -23.430 27.993 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.647 -23.127 26.241 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -24.071 -23.787 27.080 1.00 0.00 H new ATOM 351 N LEU A 24 -20.217 -26.211 24.124 1.00 0.00 N ATOM 352 CA LEU A 24 -18.823 -25.862 24.074 1.00 0.00 C ATOM 353 C LEU A 24 -18.649 -24.364 24.236 1.00 0.00 C ATOM 354 O LEU A 24 -19.182 -23.575 23.455 1.00 0.00 O ATOM 355 CB LEU A 24 -18.207 -26.342 22.766 1.00 0.00 C ATOM 356 CG LEU A 24 -18.210 -27.858 22.556 1.00 0.00 C ATOM 357 CD1 LEU A 24 -17.655 -28.216 21.196 1.00 0.00 C ATOM 358 CD2 LEU A 24 -17.412 -28.553 23.644 1.00 0.00 C ATOM 0 H LEU A 24 -20.746 -25.963 23.288 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.306 -26.355 24.897 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.744 -25.877 21.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.177 -25.988 22.717 1.00 0.00 H new ATOM 0 HG LEU A 24 -19.244 -28.200 22.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -17.668 -29.299 21.071 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -18.266 -27.754 20.421 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.630 -27.854 21.114 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.427 -29.630 23.475 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.382 -28.197 23.623 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.853 -28.332 24.616 1.00 0.00 H new ATOM 370 N ALA A 25 -17.900 -23.983 25.247 1.00 0.00 N ATOM 371 CA ALA A 25 -17.669 -22.591 25.558 1.00 0.00 C ATOM 372 C ALA A 25 -16.287 -22.420 26.152 1.00 0.00 C ATOM 373 O ALA A 25 -15.695 -23.379 26.641 1.00 0.00 O ATOM 374 CB ALA A 25 -18.727 -22.087 26.534 1.00 0.00 C ATOM 0 H ALA A 25 -17.432 -24.633 25.879 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.736 -22.007 24.640 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.542 -21.037 26.761 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.715 -22.193 26.086 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.681 -22.670 27.454 1.00 0.00 H new ATOM 380 N GLU A 26 -15.768 -21.218 26.085 1.00 0.00 N ATOM 381 CA GLU A 26 -14.472 -20.910 26.658 1.00 0.00 C ATOM 382 C GLU A 26 -14.679 -20.013 27.870 1.00 0.00 C ATOM 383 O GLU A 26 -15.687 -19.317 27.952 1.00 0.00 O ATOM 384 CB GLU A 26 -13.582 -20.211 25.626 1.00 0.00 C ATOM 385 CG GLU A 26 -13.269 -21.051 24.400 1.00 0.00 C ATOM 386 CD GLU A 26 -12.458 -22.278 24.729 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.391 -22.134 25.352 1.00 0.00 O ATOM 388 OE2 GLU A 26 -12.872 -23.389 24.345 1.00 0.00 O ATOM 0 H GLU A 26 -16.227 -20.426 25.635 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.976 -21.832 26.960 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.070 -19.290 25.306 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.646 -19.925 26.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.202 -21.354 23.924 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.725 -20.443 23.677 1.00 0.00 H new ATOM 395 N ILE A 27 -13.741 -20.022 28.806 1.00 0.00 N ATOM 396 CA ILE A 27 -13.891 -19.224 30.021 1.00 0.00 C ATOM 397 C ILE A 27 -13.886 -17.718 29.741 1.00 0.00 C ATOM 398 O ILE A 27 -14.487 -16.940 30.481 1.00 0.00 O ATOM 399 CB ILE A 27 -12.831 -19.573 31.100 1.00 0.00 C ATOM 400 CG1 ILE A 27 -13.131 -18.801 32.383 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.423 -19.264 30.605 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.397 -19.304 33.585 1.00 0.00 C ATOM 0 H ILE A 27 -12.878 -20.564 28.753 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.871 -19.488 30.418 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.882 -20.642 31.306 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.879 -17.752 32.230 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.202 -18.847 32.579 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.701 -19.518 31.381 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.215 -19.850 29.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.345 -18.203 30.370 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.665 -18.702 34.453 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.667 -20.344 33.767 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.323 -19.232 33.412 1.00 0.00 H new ATOM 414 N ASN A 28 -13.233 -17.315 28.668 1.00 0.00 N ATOM 415 CA ASN A 28 -13.154 -15.902 28.319 1.00 0.00 C ATOM 416 C ASN A 28 -14.400 -15.460 27.539 1.00 0.00 C ATOM 417 O ASN A 28 -14.474 -14.337 27.033 1.00 0.00 O ATOM 418 CB ASN A 28 -11.882 -15.620 27.509 1.00 0.00 C ATOM 419 CG ASN A 28 -11.624 -14.132 27.296 1.00 0.00 C ATOM 420 OD1 ASN A 28 -11.965 -13.299 28.139 1.00 0.00 O ATOM 421 ND2 ASN A 28 -11.027 -13.789 26.170 1.00 0.00 N ATOM 0 H ASN A 28 -12.750 -17.940 28.023 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.111 -15.325 29.243 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.027 -16.061 28.022 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.960 -16.111 26.539 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.833 -12.807 25.974 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.759 -14.506 25.496 1.00 0.00 H new ATOM 428 N GLU A 29 -15.381 -16.341 27.449 1.00 0.00 N ATOM 429 CA GLU A 29 -16.614 -16.023 26.764 1.00 0.00 C ATOM 430 C GLU A 29 -17.623 -15.483 27.754 1.00 0.00 C ATOM 431 O GLU A 29 -17.634 -15.875 28.923 1.00 0.00 O ATOM 432 CB GLU A 29 -17.185 -17.254 26.055 1.00 0.00 C ATOM 433 CG GLU A 29 -16.278 -17.806 24.975 1.00 0.00 C ATOM 434 CD GLU A 29 -16.014 -16.819 23.862 1.00 0.00 C ATOM 435 OE1 GLU A 29 -16.970 -16.403 23.193 1.00 0.00 O ATOM 436 OE2 GLU A 29 -14.839 -16.455 23.652 1.00 0.00 O ATOM 0 H GLU A 29 -15.344 -17.281 27.843 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.402 -15.266 26.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.373 -18.034 26.793 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.147 -16.995 25.613 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.329 -18.103 25.422 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.728 -18.706 24.556 1.00 0.00 H new ATOM 443 N ASN A 30 -18.456 -14.589 27.294 1.00 0.00 N ATOM 444 CA ASN A 30 -19.469 -14.001 28.137 1.00 0.00 C ATOM 445 C ASN A 30 -20.703 -14.887 28.188 1.00 0.00 C ATOM 446 O ASN A 30 -20.815 -15.865 27.429 1.00 0.00 O ATOM 447 CB ASN A 30 -19.825 -12.576 27.657 1.00 0.00 C ATOM 448 CG ASN A 30 -20.246 -12.512 26.189 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.764 -13.471 25.629 1.00 0.00 O ATOM 450 ND2 ASN A 30 -20.018 -11.371 25.560 1.00 0.00 N ATOM 0 H ASN A 30 -18.455 -14.248 26.333 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.070 -13.921 29.148 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.633 -12.185 28.275 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.964 -11.925 27.808 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.275 -11.270 24.578 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.585 -10.593 26.057 1.00 0.00 H new ATOM 457 N ALA A 31 -21.627 -14.552 29.075 1.00 0.00 N ATOM 458 CA ALA A 31 -22.852 -15.313 29.230 1.00 0.00 C ATOM 459 C ALA A 31 -23.646 -15.342 27.931 1.00 0.00 C ATOM 460 O ALA A 31 -24.398 -16.257 27.697 1.00 0.00 O ATOM 461 CB ALA A 31 -23.692 -14.746 30.364 1.00 0.00 C ATOM 0 H ALA A 31 -21.548 -13.751 29.702 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.584 -16.339 29.480 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.607 -15.329 30.466 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.126 -14.793 31.295 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.945 -13.709 30.146 1.00 0.00 H new ATOM 467 N ASP A 32 -23.461 -14.329 27.093 1.00 0.00 N ATOM 468 CA ASP A 32 -24.139 -14.257 25.791 1.00 0.00 C ATOM 469 C ASP A 32 -23.792 -15.456 24.916 1.00 0.00 C ATOM 470 O ASP A 32 -24.678 -16.113 24.368 1.00 0.00 O ATOM 471 CB ASP A 32 -23.756 -12.963 25.072 1.00 0.00 C ATOM 472 CG ASP A 32 -24.251 -12.909 23.642 1.00 0.00 C ATOM 473 OD1 ASP A 32 -25.444 -12.623 23.428 1.00 0.00 O ATOM 474 OD2 ASP A 32 -23.435 -13.123 22.721 1.00 0.00 O ATOM 0 H ASP A 32 -22.845 -13.539 27.287 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.214 -14.269 25.972 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.162 -12.115 25.623 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -22.671 -12.858 25.079 1.00 0.00 H new ATOM 479 N ARG A 33 -22.507 -15.741 24.799 1.00 0.00 N ATOM 480 CA ARG A 33 -22.038 -16.864 23.997 1.00 0.00 C ATOM 481 C ARG A 33 -22.499 -18.189 24.586 1.00 0.00 C ATOM 482 O ARG A 33 -22.970 -19.070 23.868 1.00 0.00 O ATOM 483 CB ARG A 33 -20.517 -16.846 23.893 1.00 0.00 C ATOM 484 CG ARG A 33 -19.965 -16.078 22.700 1.00 0.00 C ATOM 485 CD ARG A 33 -20.331 -14.605 22.725 1.00 0.00 C ATOM 486 NE ARG A 33 -19.638 -13.863 21.668 1.00 0.00 N ATOM 487 CZ ARG A 33 -20.043 -12.702 21.158 1.00 0.00 C ATOM 488 NH1 ARG A 33 -21.213 -12.182 21.513 1.00 0.00 N ATOM 489 NH2 ARG A 33 -19.284 -12.077 20.261 1.00 0.00 N ATOM 0 H ARG A 33 -21.764 -15.208 25.251 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.466 -16.762 23.000 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.110 -16.411 24.806 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.159 -17.874 23.842 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.880 -16.177 22.681 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.342 -16.525 21.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -21.408 -14.494 22.603 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -20.075 -14.182 23.696 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.779 -14.267 21.294 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -21.808 -12.673 22.181 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.516 -11.292 21.118 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -18.398 -12.488 19.968 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.589 -11.187 19.866 1.00 0.00 H new ATOM 503 N ILE A 34 -22.363 -18.316 25.895 1.00 0.00 N ATOM 504 CA ILE A 34 -22.752 -19.525 26.603 1.00 0.00 C ATOM 505 C ILE A 34 -24.260 -19.749 26.489 1.00 0.00 C ATOM 506 O ILE A 34 -24.719 -20.861 26.207 1.00 0.00 O ATOM 507 CB ILE A 34 -22.353 -19.421 28.092 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.830 -19.397 28.225 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.939 -20.575 28.901 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.347 -19.029 29.611 1.00 0.00 C ATOM 0 H ILE A 34 -21.981 -17.586 26.496 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.234 -20.371 26.151 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.760 -18.492 28.491 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.435 -20.378 27.961 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.422 -18.686 27.507 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.642 -20.475 29.945 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.026 -20.554 28.830 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.568 -21.521 28.507 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.257 -19.032 29.629 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.711 -18.035 29.871 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.724 -19.754 30.332 1.00 0.00 H new ATOM 522 N LEU A 35 -25.016 -18.680 26.690 1.00 0.00 N ATOM 523 CA LEU A 35 -26.465 -18.728 26.595 1.00 0.00 C ATOM 524 C LEU A 35 -26.880 -19.067 25.186 1.00 0.00 C ATOM 525 O LEU A 35 -27.765 -19.890 24.970 1.00 0.00 O ATOM 526 CB LEU A 35 -27.071 -17.379 27.012 1.00 0.00 C ATOM 527 CG LEU A 35 -28.591 -17.234 26.852 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.335 -18.202 27.760 1.00 0.00 C ATOM 529 CD2 LEU A 35 -29.018 -15.806 27.136 1.00 0.00 C ATOM 0 H LEU A 35 -24.643 -17.759 26.922 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.834 -19.501 27.269 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.819 -17.200 28.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.590 -16.594 26.429 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.846 -17.478 25.821 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.409 -18.076 27.624 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.055 -19.225 27.508 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.074 -18.000 28.799 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.098 -15.719 27.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.741 -15.540 28.156 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.522 -15.132 26.438 1.00 0.00 H new ATOM 541 N GLY A 36 -26.214 -18.443 24.227 1.00 0.00 N ATOM 542 CA GLY A 36 -26.516 -18.674 22.849 1.00 0.00 C ATOM 543 C GLY A 36 -26.286 -20.102 22.438 1.00 0.00 C ATOM 544 O GLY A 36 -27.113 -20.680 21.764 1.00 0.00 O ATOM 0 H GLY A 36 -25.462 -17.774 24.392 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.556 -18.408 22.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -25.902 -18.019 22.231 1.00 0.00 H new ATOM 548 N ALA A 37 -25.174 -20.674 22.870 1.00 0.00 N ATOM 549 CA ALA A 37 -24.844 -22.053 22.531 1.00 0.00 C ATOM 550 C ALA A 37 -25.874 -23.024 23.096 1.00 0.00 C ATOM 551 O ALA A 37 -26.396 -23.873 22.381 1.00 0.00 O ATOM 552 CB ALA A 37 -23.455 -22.401 23.052 1.00 0.00 C ATOM 0 H ALA A 37 -24.483 -20.206 23.457 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.855 -22.145 21.445 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.218 -23.433 22.794 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.720 -21.736 22.600 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.433 -22.284 24.135 1.00 0.00 H new ATOM 558 N ALA A 38 -26.172 -22.883 24.376 1.00 0.00 N ATOM 559 CA ALA A 38 -27.117 -23.771 25.040 1.00 0.00 C ATOM 560 C ALA A 38 -28.529 -23.605 24.495 1.00 0.00 C ATOM 561 O ALA A 38 -29.215 -24.584 24.213 1.00 0.00 O ATOM 562 CB ALA A 38 -27.093 -23.534 26.531 1.00 0.00 C ATOM 0 H ALA A 38 -25.774 -22.162 24.978 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.809 -24.797 24.836 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -27.803 -24.203 27.017 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.091 -23.728 26.914 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.368 -22.500 26.740 1.00 0.00 H new ATOM 568 N LEU A 39 -28.942 -22.367 24.326 1.00 0.00 N ATOM 569 CA LEU A 39 -30.270 -22.054 23.827 1.00 0.00 C ATOM 570 C LEU A 39 -30.411 -22.536 22.378 1.00 0.00 C ATOM 571 O LEU A 39 -31.489 -22.980 21.950 1.00 0.00 O ATOM 572 CB LEU A 39 -30.507 -20.553 23.938 1.00 0.00 C ATOM 573 CG LEU A 39 -31.913 -20.069 23.659 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.881 -20.685 24.648 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.960 -18.578 23.771 1.00 0.00 C ATOM 0 H LEU A 39 -28.369 -21.548 24.530 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.023 -22.568 24.424 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.231 -20.238 24.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.830 -20.049 23.249 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.199 -20.368 22.651 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.890 -20.330 24.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.852 -21.771 24.557 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.598 -20.398 25.661 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.973 -18.230 23.570 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.667 -18.279 24.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -31.274 -18.137 23.047 1.00 0.00 H new ATOM 587 N GLU A 40 -29.308 -22.451 21.637 1.00 0.00 N ATOM 588 CA GLU A 40 -29.242 -22.885 20.245 1.00 0.00 C ATOM 589 C GLU A 40 -29.526 -24.384 20.140 1.00 0.00 C ATOM 590 O GLU A 40 -30.137 -24.844 19.176 1.00 0.00 O ATOM 591 CB GLU A 40 -27.851 -22.595 19.693 1.00 0.00 C ATOM 592 CG GLU A 40 -27.691 -22.877 18.222 1.00 0.00 C ATOM 593 CD GLU A 40 -26.268 -22.703 17.753 1.00 0.00 C ATOM 594 OE1 GLU A 40 -25.493 -23.679 17.828 1.00 0.00 O ATOM 595 OE2 GLU A 40 -25.921 -21.600 17.275 1.00 0.00 O ATOM 0 H GLU A 40 -28.428 -22.075 21.990 1.00 0.00 H new ATOM 0 HA GLU A 40 -29.992 -22.343 19.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.612 -21.548 19.877 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.124 -23.190 20.245 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.017 -23.896 18.013 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -28.341 -22.211 17.655 1.00 0.00 H new ATOM 602 N LYS A 41 -29.089 -25.129 21.152 1.00 0.00 N ATOM 603 CA LYS A 41 -29.284 -26.573 21.207 1.00 0.00 C ATOM 604 C LYS A 41 -30.761 -26.927 21.193 1.00 0.00 C ATOM 605 O LYS A 41 -31.162 -27.912 20.582 1.00 0.00 O ATOM 606 CB LYS A 41 -28.613 -27.151 22.462 1.00 0.00 C ATOM 607 CG LYS A 41 -27.197 -27.669 22.240 1.00 0.00 C ATOM 608 CD LYS A 41 -26.343 -26.685 21.477 1.00 0.00 C ATOM 609 CE LYS A 41 -24.933 -27.201 21.298 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.883 -28.376 20.390 1.00 0.00 N ATOM 0 H LYS A 41 -28.590 -24.748 21.956 1.00 0.00 H new ATOM 0 HA LYS A 41 -28.822 -27.011 20.322 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -28.588 -26.381 23.233 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.228 -27.965 22.845 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -26.733 -27.879 23.204 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -27.238 -28.612 21.694 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -26.789 -26.494 20.501 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -26.319 -25.733 22.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.304 -26.406 20.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.521 -27.475 22.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.892 -28.605 20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.333 -29.192 20.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.389 -28.155 19.508 1.00 0.00 H new ATOM 624 N TYR A 42 -31.567 -26.121 21.864 1.00 0.00 N ATOM 625 CA TYR A 42 -33.000 -26.361 21.909 1.00 0.00 C ATOM 626 C TYR A 42 -33.693 -25.646 20.748 1.00 0.00 C ATOM 627 O TYR A 42 -34.878 -25.852 20.491 1.00 0.00 O ATOM 628 CB TYR A 42 -33.585 -25.888 23.244 1.00 0.00 C ATOM 629 CG TYR A 42 -32.868 -26.447 24.456 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.084 -27.750 24.880 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.962 -25.669 25.169 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.422 -28.260 25.979 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.297 -26.174 26.268 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.529 -27.469 26.670 1.00 0.00 C ATOM 635 OH TYR A 42 -30.874 -27.974 27.770 1.00 0.00 O ATOM 0 H TYR A 42 -31.256 -25.299 22.382 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.172 -27.433 21.817 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.548 -24.799 23.281 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.636 -26.173 23.291 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -33.781 -28.375 24.342 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.776 -24.652 24.857 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -32.603 -29.276 26.297 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.597 -25.555 26.810 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.415 -28.683 28.176 1.00 0.00 H new ATOM 645 N GLY A 43 -32.935 -24.809 20.046 1.00 0.00 N ATOM 646 CA GLY A 43 -33.464 -24.074 18.910 1.00 0.00 C ATOM 647 C GLY A 43 -34.366 -22.930 19.322 1.00 0.00 C ATOM 648 O GLY A 43 -35.154 -22.437 18.526 1.00 0.00 O ATOM 0 H GLY A 43 -31.952 -24.625 20.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.636 -23.683 18.318 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.021 -24.757 18.268 1.00 0.00 H new ATOM 652 N LEU A 44 -34.237 -22.501 20.560 1.00 0.00 N ATOM 653 CA LEU A 44 -35.066 -21.436 21.089 1.00 0.00 C ATOM 654 C LEU A 44 -34.294 -20.125 21.092 1.00 0.00 C ATOM 655 O LEU A 44 -34.689 -19.165 21.746 1.00 0.00 O ATOM 656 CB LEU A 44 -35.522 -21.779 22.513 1.00 0.00 C ATOM 657 CG LEU A 44 -36.264 -23.108 22.675 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.666 -23.324 24.121 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.479 -23.168 21.771 1.00 0.00 C ATOM 0 H LEU A 44 -33.560 -22.877 21.224 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.945 -21.327 20.454 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.646 -21.793 23.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -36.169 -20.978 22.869 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.585 -23.909 22.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.192 -24.274 24.214 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.775 -23.340 24.748 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.321 -22.514 24.442 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -37.987 -24.123 21.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.160 -22.355 22.023 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.165 -23.069 20.732 1.00 0.00 H new ATOM 671 N GLU A 45 -33.197 -20.090 20.332 1.00 0.00 N ATOM 672 CA GLU A 45 -32.316 -18.927 20.289 1.00 0.00 C ATOM 673 C GLU A 45 -33.048 -17.649 19.848 1.00 0.00 C ATOM 674 O GLU A 45 -32.676 -16.551 20.251 1.00 0.00 O ATOM 675 CB GLU A 45 -31.102 -19.191 19.393 1.00 0.00 C ATOM 676 CG GLU A 45 -30.116 -18.047 19.404 1.00 0.00 C ATOM 677 CD GLU A 45 -28.856 -18.311 18.630 1.00 0.00 C ATOM 678 OE1 GLU A 45 -28.942 -18.697 17.448 1.00 0.00 O ATOM 679 OE2 GLU A 45 -27.765 -18.104 19.198 1.00 0.00 O ATOM 0 H GLU A 45 -32.899 -20.861 19.735 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.968 -18.760 21.309 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.601 -20.101 19.724 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.439 -19.366 18.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -30.601 -17.161 18.995 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.853 -17.819 20.437 1.00 0.00 H new ATOM 686 N HIS A 46 -34.085 -17.800 19.038 1.00 0.00 N ATOM 687 CA HIS A 46 -34.879 -16.655 18.579 1.00 0.00 C ATOM 688 C HIS A 46 -35.466 -15.901 19.784 1.00 0.00 C ATOM 689 O HIS A 46 -35.623 -14.678 19.758 1.00 0.00 O ATOM 690 CB HIS A 46 -36.009 -17.131 17.653 1.00 0.00 C ATOM 691 CG HIS A 46 -36.733 -16.022 16.941 1.00 0.00 C ATOM 692 ND1 HIS A 46 -37.868 -15.419 17.433 1.00 0.00 N ATOM 693 CD2 HIS A 46 -36.472 -15.415 15.762 1.00 0.00 C ATOM 694 CE1 HIS A 46 -38.277 -14.493 16.579 1.00 0.00 C ATOM 695 NE2 HIS A 46 -37.448 -14.474 15.562 1.00 0.00 N ATOM 0 H HIS A 46 -34.402 -18.702 18.681 1.00 0.00 H new ATOM 0 HA HIS A 46 -34.230 -15.979 18.023 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -35.592 -17.812 16.911 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -36.729 -17.701 18.241 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -35.647 -15.632 15.100 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -39.145 -13.861 16.699 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -37.519 -13.858 14.752 1.00 0.00 H new ATOM 703 N SER A 47 -35.773 -16.646 20.826 1.00 0.00 N ATOM 704 CA SER A 47 -36.360 -16.106 22.040 1.00 0.00 C ATOM 705 C SER A 47 -35.277 -15.805 23.103 1.00 0.00 C ATOM 706 O SER A 47 -35.584 -15.687 24.283 1.00 0.00 O ATOM 707 CB SER A 47 -37.354 -17.131 22.596 1.00 0.00 C ATOM 708 OG SER A 47 -38.313 -17.495 21.608 1.00 0.00 O ATOM 0 H SER A 47 -35.621 -17.654 20.856 1.00 0.00 H new ATOM 0 HA SER A 47 -36.864 -15.169 21.803 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.818 -18.018 22.933 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.862 -16.716 23.467 1.00 0.00 H new ATOM 0 HG SER A 47 -38.937 -18.151 21.983 1.00 0.00 H new ATOM 714 N LYS A 48 -34.026 -15.633 22.666 1.00 0.00 N ATOM 715 CA LYS A 48 -32.885 -15.469 23.593 1.00 0.00 C ATOM 716 C LYS A 48 -33.032 -14.256 24.504 1.00 0.00 C ATOM 717 O LYS A 48 -32.629 -14.291 25.661 1.00 0.00 O ATOM 718 CB LYS A 48 -31.570 -15.354 22.830 1.00 0.00 C ATOM 719 CG LYS A 48 -30.352 -15.432 23.736 1.00 0.00 C ATOM 720 CD LYS A 48 -29.055 -15.210 22.974 1.00 0.00 C ATOM 721 CE LYS A 48 -28.890 -16.226 21.855 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.642 -16.020 21.061 1.00 0.00 N ATOM 0 H LYS A 48 -33.770 -15.603 21.679 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.879 -16.364 24.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.516 -16.150 22.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.552 -14.409 22.287 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.440 -14.686 24.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.324 -16.408 24.221 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -29.043 -14.203 22.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.211 -15.281 23.660 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.882 -17.229 22.281 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.751 -16.169 21.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.486 -16.840 20.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.736 -15.161 20.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.833 -15.916 21.706 1.00 0.00 H new ATOM 736 N ASP A 49 -33.610 -13.196 23.983 1.00 0.00 N ATOM 737 CA ASP A 49 -33.764 -11.954 24.739 1.00 0.00 C ATOM 738 C ASP A 49 -34.621 -12.155 25.995 1.00 0.00 C ATOM 739 O ASP A 49 -34.512 -11.394 26.957 1.00 0.00 O ATOM 740 CB ASP A 49 -34.377 -10.867 23.849 1.00 0.00 C ATOM 741 CG ASP A 49 -34.591 -9.557 24.586 1.00 0.00 C ATOM 742 OD1 ASP A 49 -33.594 -8.868 24.899 1.00 0.00 O ATOM 743 OD2 ASP A 49 -35.751 -9.203 24.847 1.00 0.00 O ATOM 0 H ASP A 49 -33.985 -13.161 23.035 1.00 0.00 H new ATOM 0 HA ASP A 49 -32.772 -11.639 25.063 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -33.726 -10.695 22.992 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -35.332 -11.219 23.458 1.00 0.00 H new ATOM 748 N ASP A 50 -35.448 -13.194 25.983 1.00 0.00 N ATOM 749 CA ASP A 50 -36.363 -13.477 27.086 1.00 0.00 C ATOM 750 C ASP A 50 -35.719 -14.386 28.161 1.00 0.00 C ATOM 751 O ASP A 50 -36.326 -14.662 29.193 1.00 0.00 O ATOM 752 CB ASP A 50 -37.648 -14.121 26.534 1.00 0.00 C ATOM 753 CG ASP A 50 -38.762 -14.236 27.563 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.333 -13.192 27.944 1.00 0.00 O ATOM 755 OD2 ASP A 50 -39.097 -15.369 27.962 1.00 0.00 O ATOM 0 H ASP A 50 -35.504 -13.861 25.214 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.605 -12.533 27.574 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.005 -13.533 25.689 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.412 -15.115 26.154 1.00 0.00 H new ATOM 760 N PHE A 51 -34.481 -14.825 27.937 1.00 0.00 N ATOM 761 CA PHE A 51 -33.828 -15.739 28.886 1.00 0.00 C ATOM 762 C PHE A 51 -32.435 -15.248 29.284 1.00 0.00 C ATOM 763 O PHE A 51 -31.785 -14.524 28.540 1.00 0.00 O ATOM 764 CB PHE A 51 -33.711 -17.140 28.288 1.00 0.00 C ATOM 765 CG PHE A 51 -35.018 -17.747 27.873 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.845 -18.362 28.799 1.00 0.00 C ATOM 767 CD2 PHE A 51 -35.417 -17.699 26.552 1.00 0.00 C ATOM 768 CE1 PHE A 51 -37.050 -18.918 28.411 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.621 -18.251 26.156 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.438 -18.862 27.086 1.00 0.00 C ATOM 0 H PHE A 51 -33.916 -14.572 27.126 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.453 -15.768 29.779 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -33.052 -17.098 27.421 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.235 -17.795 29.018 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.545 -18.408 29.836 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.781 -17.225 25.819 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.686 -19.395 29.142 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.922 -18.204 25.120 1.00 0.00 H new ATOM 0 HZ PHE A 51 -38.378 -19.295 26.779 1.00 0.00 H new ATOM 780 N ILE A 52 -32.001 -15.648 30.478 1.00 0.00 N ATOM 781 CA ILE A 52 -30.673 -15.306 31.001 1.00 0.00 C ATOM 782 C ILE A 52 -30.053 -16.536 31.665 1.00 0.00 C ATOM 783 O ILE A 52 -30.713 -17.575 31.797 1.00 0.00 O ATOM 784 CB ILE A 52 -30.722 -14.131 32.029 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.590 -14.507 33.237 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.238 -12.858 31.370 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.590 -13.468 34.337 1.00 0.00 C ATOM 0 H ILE A 52 -32.558 -16.219 31.113 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.065 -14.979 30.158 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.708 -13.943 32.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.615 -14.666 32.901 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.237 -15.454 33.645 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.264 -12.053 32.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.577 -12.580 30.549 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.243 -13.030 30.984 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.225 -13.805 35.156 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.573 -13.325 34.702 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.971 -12.525 33.946 1.00 0.00 H new ATOM 799 N LEU A 53 -28.808 -16.428 32.094 1.00 0.00 N ATOM 800 CA LEU A 53 -28.144 -17.546 32.742 1.00 0.00 C ATOM 801 C LEU A 53 -28.152 -17.356 34.238 1.00 0.00 C ATOM 802 O LEU A 53 -28.101 -16.241 34.718 1.00 0.00 O ATOM 803 CB LEU A 53 -26.701 -17.698 32.251 1.00 0.00 C ATOM 804 CG LEU A 53 -26.519 -18.043 30.777 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.046 -18.102 30.432 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.182 -19.371 30.460 1.00 0.00 C ATOM 0 H LEU A 53 -28.240 -15.585 32.007 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.691 -18.453 32.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.172 -16.766 32.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.218 -18.473 32.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.991 -17.265 30.177 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.929 -18.349 29.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.587 -17.134 30.631 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.560 -18.866 31.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.044 -19.604 29.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.732 -20.157 31.067 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.247 -19.308 30.681 1.00 0.00 H new ATOM 818 N VAL A 54 -28.255 -18.440 34.967 1.00 0.00 N ATOM 819 CA VAL A 54 -28.272 -18.378 36.411 1.00 0.00 C ATOM 820 C VAL A 54 -27.273 -19.355 37.014 1.00 0.00 C ATOM 821 O VAL A 54 -27.172 -20.510 36.585 1.00 0.00 O ATOM 822 CB VAL A 54 -29.677 -18.638 36.984 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.635 -17.522 36.583 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.205 -19.985 36.522 1.00 0.00 C ATOM 0 H VAL A 54 -28.329 -19.382 34.583 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.982 -17.364 36.685 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.604 -18.654 38.071 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.623 -17.724 36.997 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.267 -16.571 36.968 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.701 -17.472 35.496 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.199 -20.148 36.938 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.261 -20.000 35.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.535 -20.775 36.862 1.00 0.00 H new ATOM 834 N GLU A 55 -26.528 -18.888 37.991 1.00 0.00 N ATOM 835 CA GLU A 55 -25.523 -19.710 38.639 1.00 0.00 C ATOM 836 C GLU A 55 -26.132 -20.504 39.785 1.00 0.00 C ATOM 837 O GLU A 55 -26.695 -19.930 40.724 1.00 0.00 O ATOM 838 CB GLU A 55 -24.362 -18.827 39.133 1.00 0.00 C ATOM 839 CG GLU A 55 -23.259 -19.576 39.865 1.00 0.00 C ATOM 840 CD GLU A 55 -23.561 -19.793 41.358 1.00 0.00 C ATOM 841 OE1 GLU A 55 -23.462 -18.827 42.139 1.00 0.00 O ATOM 842 OE2 GLU A 55 -23.890 -20.925 41.753 1.00 0.00 O ATOM 0 H GLU A 55 -26.598 -17.939 38.358 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.131 -20.424 37.914 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.926 -18.312 38.277 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.763 -18.060 39.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.107 -20.544 39.387 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.325 -19.022 39.767 1.00 0.00 H new ATOM 849 N VAL A 56 -26.027 -21.821 39.698 1.00 0.00 N ATOM 850 CA VAL A 56 -26.544 -22.705 40.732 1.00 0.00 C ATOM 851 C VAL A 56 -25.472 -23.706 41.159 1.00 0.00 C ATOM 852 O VAL A 56 -24.827 -24.322 40.317 1.00 0.00 O ATOM 853 CB VAL A 56 -27.793 -23.480 40.244 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.231 -24.514 41.276 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.928 -22.522 39.933 1.00 0.00 C ATOM 0 H VAL A 56 -25.585 -22.304 38.916 1.00 0.00 H new ATOM 0 HA VAL A 56 -26.829 -22.082 41.580 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.527 -24.008 39.328 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.110 -25.044 40.909 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.422 -25.225 41.445 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -28.475 -24.013 42.213 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.796 -23.085 39.592 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.189 -21.963 40.832 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.615 -21.829 39.152 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.971 -19.686 41.144 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.596 -19.264 40.958 1.00 0.00 C ATOM 1114 C GLY A 73 -29.427 -17.761 41.039 1.00 0.00 C ATOM 1115 O GLY A 73 -30.291 -17.058 41.573 1.00 0.00 O ATOM 0 HA2 GLY A 73 -28.970 -19.737 41.715 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -29.242 -19.613 39.988 1.00 0.00 H new ATOM 1119 N ARG A 74 -28.311 -17.267 40.533 1.00 0.00 N ATOM 1120 CA ARG A 74 -28.060 -15.839 40.499 1.00 0.00 C ATOM 1121 C ARG A 74 -28.292 -15.351 39.088 1.00 0.00 C ATOM 1122 O ARG A 74 -27.710 -15.899 38.155 1.00 0.00 O ATOM 1123 CB ARG A 74 -26.610 -15.516 40.901 1.00 0.00 C ATOM 1124 CG ARG A 74 -26.015 -16.439 41.951 1.00 0.00 C ATOM 1125 CD ARG A 74 -24.717 -15.880 42.524 1.00 0.00 C ATOM 1126 NE ARG A 74 -23.866 -15.234 41.505 1.00 0.00 N ATOM 1127 CZ ARG A 74 -22.574 -15.523 41.299 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -22.032 -16.601 41.840 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -21.847 -14.762 40.494 1.00 0.00 N ATOM 0 H ARG A 74 -27.562 -17.837 40.139 1.00 0.00 H new ATOM 0 HA ARG A 74 -28.729 -15.348 41.205 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -25.984 -15.554 40.009 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -26.572 -14.493 41.274 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -26.735 -16.586 42.756 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.826 -17.418 41.510 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -24.953 -15.156 43.304 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -24.158 -16.687 42.997 1.00 0.00 H new ATOM 0 HE ARG A 74 -24.291 -14.518 40.917 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.598 -17.220 42.420 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.048 -16.813 41.678 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.271 -13.957 40.032 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.863 -14.981 40.336 1.00 0.00 H new ATOM 1143 N PRO A 75 -29.157 -14.345 38.892 1.00 0.00 N ATOM 1144 CA PRO A 75 -29.421 -13.794 37.563 1.00 0.00 C ATOM 1145 C PRO A 75 -28.156 -13.213 36.934 1.00 0.00 C ATOM 1146 O PRO A 75 -27.592 -12.234 37.430 1.00 0.00 O ATOM 1147 CB PRO A 75 -30.455 -12.689 37.820 1.00 0.00 C ATOM 1148 CG PRO A 75 -31.036 -13.002 39.157 1.00 0.00 C ATOM 1149 CD PRO A 75 -29.947 -13.675 39.937 1.00 0.00 C ATOM 0 HA PRO A 75 -29.773 -14.554 36.865 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.989 -11.704 37.814 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -31.224 -12.682 37.048 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -31.370 -12.094 39.659 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.906 -13.652 39.061 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -29.349 -12.956 40.497 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -30.348 -14.387 40.658 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.717 -13.829 35.858 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.523 -13.417 35.154 1.00 0.00 C ATOM 1159 C ILE A 76 -26.856 -13.027 33.723 1.00 0.00 C ATOM 1160 O ILE A 76 -27.150 -13.884 32.883 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.476 -14.552 35.129 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -25.105 -14.963 36.548 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -24.233 -14.118 34.355 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.377 -16.277 36.623 1.00 0.00 C ATOM 0 H ILE A 76 -28.183 -14.636 35.444 1.00 0.00 H new ATOM 0 HA ILE A 76 -26.110 -12.558 35.684 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.912 -15.413 34.622 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.482 -14.186 36.991 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -26.013 -15.025 37.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.507 -14.931 34.348 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.510 -13.871 33.330 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.794 -13.243 34.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.145 -16.506 37.663 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.006 -17.066 36.210 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.452 -16.214 36.050 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.864 -11.729 33.439 1.00 0.00 N ATOM 1177 CA PRO A 77 -27.094 -11.214 32.093 1.00 0.00 C ATOM 1178 C PRO A 77 -25.969 -11.625 31.133 1.00 0.00 C ATOM 1179 O PRO A 77 -24.848 -11.916 31.562 1.00 0.00 O ATOM 1180 CB PRO A 77 -27.107 -9.693 32.292 1.00 0.00 C ATOM 1181 CG PRO A 77 -27.382 -9.516 33.740 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.688 -10.651 34.411 1.00 0.00 C ATOM 0 HA PRO A 77 -28.012 -11.600 31.649 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.153 -9.247 32.011 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.874 -9.218 31.680 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -27.006 -8.558 34.098 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -28.453 -9.534 33.943 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.636 -10.435 34.595 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -27.137 -10.892 35.374 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.252 -11.616 29.821 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.295 -12.047 28.781 1.00 0.00 C ATOM 1192 C PRO A 78 -23.950 -11.312 28.842 1.00 0.00 C ATOM 1193 O PRO A 78 -22.914 -11.860 28.468 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.017 -11.708 27.475 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.460 -11.683 27.825 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.543 -11.200 29.238 1.00 0.00 C ATOM 0 HA PRO A 78 -25.038 -13.100 28.897 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.690 -10.745 27.082 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -25.811 -12.452 26.706 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.011 -11.022 27.156 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -27.901 -12.675 27.727 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.675 -10.119 29.286 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.385 -11.648 29.766 1.00 0.00 H new ATOM 1204 N THR A 79 -23.980 -10.084 29.302 1.00 0.00 N ATOM 1205 CA THR A 79 -22.780 -9.256 29.373 1.00 0.00 C ATOM 1206 C THR A 79 -21.736 -9.785 30.388 1.00 0.00 C ATOM 1207 O THR A 79 -20.541 -9.535 30.231 1.00 0.00 O ATOM 1208 CB THR A 79 -23.138 -7.788 29.714 1.00 0.00 C ATOM 1209 OG1 THR A 79 -21.971 -6.957 29.657 1.00 0.00 O ATOM 1210 CG2 THR A 79 -23.762 -7.692 31.095 1.00 0.00 C ATOM 0 H THR A 79 -24.827 -9.625 29.638 1.00 0.00 H new ATOM 0 HA THR A 79 -22.326 -9.303 28.383 1.00 0.00 H new ATOM 0 HB THR A 79 -23.860 -7.441 28.975 1.00 0.00 H new ATOM 0 HG1 THR A 79 -22.216 -6.033 29.874 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.005 -6.652 31.313 1.00 0.00 H new ATOM 0 HG22 THR A 79 -24.672 -8.291 31.126 1.00 0.00 H new ATOM 0 HG23 THR A 79 -23.058 -8.063 31.839 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.181 -10.515 31.406 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.274 -10.964 32.462 1.00 0.00 C ATOM 1220 C GLU A 80 -20.629 -12.319 32.131 1.00 0.00 C ATOM 1221 O GLU A 80 -21.228 -13.149 31.461 1.00 0.00 O ATOM 1222 CB GLU A 80 -22.014 -11.014 33.808 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.132 -11.372 34.999 1.00 0.00 C ATOM 1224 CD GLU A 80 -21.863 -11.278 36.322 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -22.330 -10.170 36.665 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -21.954 -12.297 37.037 1.00 0.00 O ATOM 0 H GLU A 80 -23.151 -10.806 31.524 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.462 -10.241 32.535 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.475 -10.043 33.992 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.822 -11.742 33.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -20.751 -12.385 34.871 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.269 -10.707 35.018 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.387 -12.507 32.584 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.660 -13.761 32.381 1.00 0.00 C ATOM 1235 C CYS A 81 -18.480 -14.480 33.728 1.00 0.00 C ATOM 1236 O CYS A 81 -17.483 -14.277 34.425 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.291 -13.490 31.742 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.358 -12.473 30.248 1.00 0.00 S ATOM 0 H CYS A 81 -18.861 -11.800 33.098 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.236 -14.397 31.708 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.652 -12.998 32.475 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.821 -14.443 31.498 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.155 -12.300 29.787 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.459 -15.316 34.117 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.450 -16.005 35.414 1.00 0.00 C ATOM 1246 C PRO A 82 -18.395 -17.112 35.522 1.00 0.00 C ATOM 1247 O PRO A 82 -18.033 -17.522 36.625 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.856 -16.597 35.513 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.301 -16.767 34.101 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.652 -15.661 33.316 1.00 0.00 C ATOM 0 HA PRO A 82 -19.194 -15.316 36.219 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.847 -17.550 36.042 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.526 -15.935 36.061 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -21.005 -17.743 33.715 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.387 -16.711 34.026 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.380 -15.989 32.313 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.319 -14.806 33.202 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.879 -17.568 34.383 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.925 -18.682 34.365 1.00 0.00 C ATOM 1260 C LEU A 83 -15.662 -18.353 35.127 1.00 0.00 C ATOM 1261 O LEU A 83 -15.077 -19.226 35.770 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.570 -19.097 32.950 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.710 -19.634 32.113 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -17.198 -20.139 30.791 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.469 -20.726 32.846 1.00 0.00 C ATOM 0 H LEU A 83 -18.102 -17.188 33.463 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.422 -19.517 34.859 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.142 -18.236 32.436 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.791 -19.858 33.000 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.405 -18.815 31.929 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -18.030 -20.522 30.201 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.716 -19.323 30.252 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.476 -20.938 30.961 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -19.281 -21.090 32.217 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.792 -21.548 33.076 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.880 -20.325 33.772 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.238 -17.099 35.054 1.00 0.00 N ATOM 1278 CA PHE A 84 -14.045 -16.658 35.755 1.00 0.00 C ATOM 1279 C PHE A 84 -14.149 -16.933 37.240 1.00 0.00 C ATOM 1280 O PHE A 84 -13.226 -17.464 37.842 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.806 -15.167 35.506 1.00 0.00 C ATOM 1282 CG PHE A 84 -13.007 -14.889 34.272 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.609 -14.853 33.040 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.642 -14.664 34.356 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -12.875 -14.600 31.900 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.898 -14.409 33.221 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.518 -14.377 31.990 1.00 0.00 C ATOM 0 H PHE A 84 -15.705 -16.370 34.515 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.197 -17.223 35.367 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.768 -14.661 35.428 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.291 -14.741 36.367 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.672 -15.025 32.962 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.155 -14.688 35.320 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.364 -14.577 30.937 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.835 -14.235 33.297 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.942 -14.178 31.099 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.271 -16.591 37.811 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.505 -16.797 39.227 1.00 0.00 C ATOM 1299 C GLU A 85 -15.760 -18.275 39.548 1.00 0.00 C ATOM 1300 O GLU A 85 -15.311 -18.787 40.582 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.653 -15.918 39.666 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.337 -14.442 39.492 1.00 0.00 C ATOM 1303 CD GLU A 85 -15.303 -13.951 40.484 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -14.093 -14.148 40.246 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -15.699 -13.402 41.529 1.00 0.00 O ATOM 0 H GLU A 85 -16.052 -16.162 37.315 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.611 -16.517 39.784 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.543 -16.169 39.089 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.884 -16.119 40.712 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.975 -14.268 38.479 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.252 -13.861 39.608 1.00 0.00 H new ATOM 1312 N MET A 86 -16.469 -18.957 38.649 1.00 0.00 N ATOM 1313 CA MET A 86 -16.777 -20.379 38.817 1.00 0.00 C ATOM 1314 C MET A 86 -15.500 -21.215 38.867 1.00 0.00 C ATOM 1315 O MET A 86 -15.319 -22.050 39.758 1.00 0.00 O ATOM 1316 CB MET A 86 -17.649 -20.859 37.644 1.00 0.00 C ATOM 1317 CG MET A 86 -19.040 -20.242 37.614 1.00 0.00 C ATOM 1318 SD MET A 86 -19.949 -20.619 36.094 1.00 0.00 S ATOM 1319 CE MET A 86 -20.092 -22.396 36.194 1.00 0.00 C ATOM 0 H MET A 86 -16.843 -18.547 37.793 1.00 0.00 H new ATOM 0 HA MET A 86 -17.312 -20.503 39.759 1.00 0.00 H new ATOM 0 HB2 MET A 86 -17.140 -20.628 36.708 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.745 -21.944 37.696 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.610 -20.603 38.470 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.954 -19.161 37.721 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.791 -22.748 35.435 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.115 -22.850 36.026 1.00 0.00 H new ATOM 0 HE3 MET A 86 -20.457 -22.677 37.182 1.00 0.00 H new ATOM 1329 N THR A 87 -14.626 -20.969 37.918 1.00 0.00 N ATOM 1330 CA THR A 87 -13.375 -21.697 37.793 1.00 0.00 C ATOM 1331 C THR A 87 -12.349 -21.287 38.872 1.00 0.00 C ATOM 1332 O THR A 87 -11.653 -22.135 39.439 1.00 0.00 O ATOM 1333 CB THR A 87 -12.771 -21.486 36.390 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.795 -21.683 35.402 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.637 -22.468 36.130 1.00 0.00 C ATOM 0 H THR A 87 -14.760 -20.253 37.204 1.00 0.00 H new ATOM 0 HA THR A 87 -13.603 -22.753 37.939 1.00 0.00 H new ATOM 0 HB THR A 87 -12.374 -20.472 36.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.369 -20.890 35.364 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.229 -22.297 35.134 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.853 -22.323 36.873 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.016 -23.488 36.197 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.621 -24.519 38.815 1.00 0.00 N ATOM 1496 CA PHE A 100 -22.884 -24.749 37.420 1.00 0.00 C ATOM 1497 C PHE A 100 -23.749 -23.628 36.895 1.00 0.00 C ATOM 1498 O PHE A 100 -24.254 -22.809 37.670 1.00 0.00 O ATOM 1499 CB PHE A 100 -23.539 -26.119 37.151 1.00 0.00 C ATOM 1500 CG PHE A 100 -24.881 -26.333 37.798 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.026 -25.775 37.249 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.002 -27.135 38.922 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.267 -26.006 37.814 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.237 -27.366 39.494 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.371 -26.801 38.939 1.00 0.00 C ATOM 0 HA PHE A 100 -21.929 -24.765 36.895 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -23.650 -26.244 36.074 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -22.861 -26.900 37.494 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -25.948 -25.153 36.370 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.120 -27.584 39.355 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.152 -25.566 37.377 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.318 -27.987 40.374 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.338 -26.981 39.385 1.00 0.00 H new ATOM 1515 N LEU A 101 -23.928 -23.576 35.608 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.664 -22.499 35.027 1.00 0.00 C ATOM 1517 C LEU A 101 -25.869 -23.032 34.244 1.00 0.00 C ATOM 1518 O LEU A 101 -25.726 -23.867 33.347 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.713 -21.695 34.157 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.203 -20.358 33.645 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.739 -19.519 34.786 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.051 -19.642 33.013 1.00 0.00 C ATOM 0 H LEU A 101 -23.575 -24.266 34.945 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.069 -21.845 35.799 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.799 -21.524 34.725 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.444 -22.307 33.297 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.002 -20.519 32.922 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -25.087 -18.561 34.401 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.568 -20.041 35.263 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.948 -19.350 35.517 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.385 -18.675 32.638 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.265 -19.492 33.754 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.662 -20.237 32.187 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.050 -22.557 34.609 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.293 -23.008 33.996 1.00 0.00 C ATOM 1536 C ALA A 102 -29.009 -21.852 33.311 1.00 0.00 C ATOM 1537 O ALA A 102 -28.615 -20.698 33.463 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.194 -23.637 35.051 1.00 0.00 C ATOM 0 H ALA A 102 -27.175 -21.851 35.335 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.055 -23.756 33.240 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.121 -23.972 34.585 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.686 -24.490 35.502 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.421 -22.901 35.822 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.058 -22.165 32.563 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.813 -21.138 31.854 1.00 0.00 C ATOM 1546 C ILE A 103 -32.181 -20.949 32.495 1.00 0.00 C ATOM 1547 O ILE A 103 -32.916 -21.914 32.696 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.047 -21.518 30.365 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.729 -21.837 29.666 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.757 -20.377 29.636 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.911 -22.338 28.249 1.00 0.00 C ATOM 0 H ILE A 103 -30.405 -23.115 32.431 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.223 -20.223 31.910 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.674 -22.409 30.339 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.107 -20.942 29.651 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.191 -22.589 30.244 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.916 -20.654 28.594 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.719 -20.185 30.111 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.143 -19.478 29.683 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.936 -22.546 27.809 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.507 -23.251 28.259 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.421 -21.578 27.657 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.515 -19.714 32.816 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.816 -19.384 33.341 1.00 0.00 C ATOM 1565 C LYS A 104 -34.378 -18.181 32.619 1.00 0.00 C ATOM 1566 O LYS A 104 -33.656 -17.466 31.920 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.783 -19.119 34.838 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.550 -20.352 35.696 1.00 0.00 C ATOM 1569 CD LYS A 104 -34.603 -21.430 35.446 1.00 0.00 C ATOM 1570 CE LYS A 104 -36.020 -20.926 35.702 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.232 -20.497 37.109 1.00 0.00 N ATOM 0 H LYS A 104 -31.889 -18.915 32.718 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.460 -20.248 33.175 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.997 -18.393 35.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.727 -18.661 35.133 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -32.560 -20.757 35.487 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -33.563 -20.069 36.749 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -34.525 -21.779 34.417 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -34.403 -22.287 36.090 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -36.229 -20.089 35.036 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.731 -21.714 35.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.228 -20.228 37.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -35.995 -21.281 37.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -35.622 -19.681 37.319 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.655 -17.960 32.786 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.328 -16.872 32.124 1.00 0.00 C ATOM 1587 C ARG A 105 -36.043 -15.560 32.841 1.00 0.00 C ATOM 1588 O ARG A 105 -36.010 -15.512 34.070 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.829 -17.134 32.099 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.609 -16.137 31.274 1.00 0.00 C ATOM 1591 CD ARG A 105 -40.101 -16.365 31.408 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.489 -17.736 31.066 1.00 0.00 N ATOM 1593 CZ ARG A 105 -40.801 -18.153 29.837 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -40.644 -17.352 28.799 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.233 -19.392 29.649 1.00 0.00 N ATOM 0 H ARG A 105 -36.257 -18.527 33.383 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.958 -16.799 31.101 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.007 -18.135 31.706 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.208 -17.121 33.121 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -38.363 -15.124 31.594 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -38.318 -16.220 30.227 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -40.409 -16.148 32.431 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.632 -15.668 30.760 1.00 0.00 H new ATOM 0 HE ARG A 105 -40.523 -18.421 31.821 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -40.282 -16.408 28.934 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -40.884 -17.677 27.863 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -41.327 -20.025 30.443 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -41.472 -19.712 28.710 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.812 -14.510 32.072 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.587 -13.181 32.635 1.00 0.00 C ATOM 1611 C LYS A 106 -36.814 -12.740 33.458 1.00 0.00 C ATOM 1612 O LYS A 106 -37.931 -13.213 33.217 1.00 0.00 O ATOM 1613 CB LYS A 106 -35.319 -12.175 31.509 1.00 0.00 C ATOM 1614 CG LYS A 106 -36.553 -11.821 30.694 1.00 0.00 C ATOM 1615 CD LYS A 106 -36.192 -11.056 29.433 1.00 0.00 C ATOM 1616 CE LYS A 106 -35.502 -9.738 29.727 1.00 0.00 C ATOM 1617 NZ LYS A 106 -35.060 -9.076 28.476 1.00 0.00 N ATOM 0 H LYS A 106 -35.774 -14.548 31.053 1.00 0.00 H new ATOM 0 HA LYS A 106 -34.718 -13.217 33.292 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.906 -11.263 31.940 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -34.560 -12.584 30.842 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -37.086 -12.733 30.426 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -37.231 -11.222 31.302 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -35.541 -11.672 28.813 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -37.097 -10.867 28.856 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -36.182 -9.081 30.269 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -34.642 -9.911 30.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -34.229 -8.482 28.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -34.810 -9.798 27.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -35.830 -8.483 28.106 1.00 0.00 H new