USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 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 -37:sc= 0.0282 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.7!) USER MOD Single : A 30 ASN : amide:sc= 0.017 K(o=0.017,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.22) USER MOD Single : A 42 TYR OH : rot -3:sc= 0.0193 USER MOD Single : A 46 HIS : no HD1:sc=-0.00557 X(o=-0.0056,f=-0.0056) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.796 (180deg=0.267) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 86 MET CE :methyl -176:sc= -0.951 (180deg=-0.985) USER MOD Single : A 87 THR OG1 : rot 77:sc= 0.673 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.03 (180deg=0.941) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.661 -28.699 29.190 1.00 0.00 N ATOM 59 CA GLY A 5 -13.761 -28.278 27.813 1.00 0.00 C ATOM 60 C GLY A 5 -15.183 -27.996 27.394 1.00 0.00 C ATOM 61 O GLY A 5 -15.420 -27.215 26.478 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.158 -27.382 27.666 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.343 -29.052 27.169 1.00 0.00 H new ATOM 65 N SER A 6 -16.132 -28.624 28.063 1.00 0.00 N ATOM 66 CA SER A 6 -17.533 -28.412 27.763 1.00 0.00 C ATOM 67 C SER A 6 -18.310 -28.212 29.053 1.00 0.00 C ATOM 68 O SER A 6 -17.890 -28.674 30.115 1.00 0.00 O ATOM 69 CB SER A 6 -18.099 -29.590 26.963 1.00 0.00 C ATOM 70 OG SER A 6 -17.906 -30.818 27.645 1.00 0.00 O ATOM 0 H SER A 6 -15.956 -29.286 28.819 1.00 0.00 H new ATOM 0 HA SER A 6 -17.632 -27.515 27.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.163 -29.434 26.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.616 -29.634 25.987 1.00 0.00 H new ATOM 0 HG SER A 6 -18.279 -31.551 27.111 1.00 0.00 H new ATOM 76 N LEU A 7 -19.434 -27.537 28.966 1.00 0.00 N ATOM 77 CA LEU A 7 -20.214 -27.230 30.147 1.00 0.00 C ATOM 78 C LEU A 7 -21.479 -28.036 30.245 1.00 0.00 C ATOM 79 O LEU A 7 -22.190 -28.245 29.252 1.00 0.00 O ATOM 80 CB LEU A 7 -20.536 -25.740 30.224 1.00 0.00 C ATOM 81 CG LEU A 7 -19.370 -24.844 30.622 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.755 -23.377 30.496 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.942 -25.169 32.045 1.00 0.00 C ATOM 0 H LEU A 7 -19.829 -27.190 28.092 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.590 -27.507 30.997 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.908 -25.414 29.253 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.345 -25.596 30.940 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.532 -25.028 29.950 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.909 -22.753 30.785 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.030 -23.160 29.464 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.602 -23.166 31.149 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.108 -24.528 32.329 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.778 -25.000 32.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.633 -26.213 32.103 1.00 0.00 H new ATOM 95 N LYS A 8 -21.738 -28.499 31.450 1.00 0.00 N ATOM 96 CA LYS A 8 -22.952 -29.202 31.770 1.00 0.00 C ATOM 97 C LYS A 8 -24.015 -28.158 32.078 1.00 0.00 C ATOM 98 O LYS A 8 -23.966 -27.492 33.113 1.00 0.00 O ATOM 99 CB LYS A 8 -22.696 -30.108 32.968 1.00 0.00 C ATOM 100 CG LYS A 8 -23.831 -31.039 33.327 1.00 0.00 C ATOM 101 CD LYS A 8 -23.387 -32.005 34.408 1.00 0.00 C ATOM 102 CE LYS A 8 -23.136 -31.298 35.735 1.00 0.00 C ATOM 103 NZ LYS A 8 -22.656 -32.238 36.777 1.00 0.00 N ATOM 0 H LYS A 8 -21.101 -28.394 32.240 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.290 -29.828 30.944 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.807 -30.706 32.767 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.472 -29.484 33.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.689 -30.463 33.673 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.153 -31.591 32.444 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.149 -32.772 34.544 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.477 -32.513 34.089 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.400 -30.507 35.592 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -24.056 -30.820 36.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.497 -31.720 37.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.369 -32.979 36.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.765 -32.675 36.466 1.00 0.00 H new ATOM 117 N VAL A 9 -24.950 -28.017 31.176 1.00 0.00 N ATOM 118 CA VAL A 9 -25.927 -26.950 31.235 1.00 0.00 C ATOM 119 C VAL A 9 -27.340 -27.503 31.452 1.00 0.00 C ATOM 120 O VAL A 9 -27.742 -28.476 30.818 1.00 0.00 O ATOM 121 CB VAL A 9 -25.839 -26.124 29.924 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.827 -24.986 29.877 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.435 -25.592 29.751 1.00 0.00 C ATOM 0 H VAL A 9 -25.060 -28.639 30.375 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.709 -26.304 32.085 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.093 -26.797 29.105 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.716 -24.447 28.936 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.840 -25.381 29.952 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.640 -24.307 30.709 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.376 -25.013 28.830 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.181 -24.954 30.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.734 -26.425 29.701 1.00 0.00 H new ATOM 133 N TYR A 10 -28.069 -26.892 32.372 1.00 0.00 N ATOM 134 CA TYR A 10 -29.410 -27.345 32.733 1.00 0.00 C ATOM 135 C TYR A 10 -30.482 -26.313 32.360 1.00 0.00 C ATOM 136 O TYR A 10 -30.411 -25.152 32.755 1.00 0.00 O ATOM 137 CB TYR A 10 -29.445 -27.707 34.239 1.00 0.00 C ATOM 138 CG TYR A 10 -30.828 -27.874 34.849 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.583 -29.017 34.624 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.357 -26.897 35.682 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.829 -29.173 35.199 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.600 -27.047 36.262 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.332 -28.183 36.018 1.00 0.00 C ATOM 144 OH TYR A 10 -34.568 -28.329 36.590 1.00 0.00 O ATOM 0 H TYR A 10 -27.753 -26.072 32.889 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.645 -28.240 32.157 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.891 -28.635 34.383 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.916 -26.931 34.792 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -31.190 -29.797 33.989 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.785 -26.003 35.880 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.407 -30.065 35.009 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -32.995 -26.275 36.905 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.770 -27.542 37.138 1.00 0.00 H new ATOM 154 N GLY A 11 -31.465 -26.754 31.583 1.00 0.00 N ATOM 155 CA GLY A 11 -32.542 -25.875 31.152 1.00 0.00 C ATOM 156 C GLY A 11 -33.908 -26.536 31.262 1.00 0.00 C ATOM 157 O GLY A 11 -34.834 -26.198 30.519 1.00 0.00 O ATOM 0 H GLY A 11 -31.537 -27.712 31.240 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.531 -24.968 31.756 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.370 -25.573 30.119 1.00 0.00 H new ATOM 161 N GLY A 12 -34.029 -27.469 32.204 1.00 0.00 N ATOM 162 CA GLY A 12 -35.272 -28.219 32.397 1.00 0.00 C ATOM 163 C GLY A 12 -36.472 -27.350 32.757 1.00 0.00 C ATOM 164 O GLY A 12 -37.612 -27.749 32.531 1.00 0.00 O ATOM 0 H GLY A 12 -33.281 -27.725 32.848 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.497 -28.771 31.484 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -35.121 -28.956 33.186 1.00 0.00 H new ATOM 168 N GLU A 13 -36.215 -26.175 33.323 1.00 0.00 N ATOM 169 CA GLU A 13 -37.288 -25.255 33.704 1.00 0.00 C ATOM 170 C GLU A 13 -38.033 -24.794 32.455 1.00 0.00 C ATOM 171 O GLU A 13 -39.255 -24.706 32.436 1.00 0.00 O ATOM 172 CB GLU A 13 -36.694 -24.047 34.463 1.00 0.00 C ATOM 173 CG GLU A 13 -37.696 -23.242 35.304 1.00 0.00 C ATOM 174 CD GLU A 13 -38.473 -22.189 34.520 1.00 0.00 C ATOM 175 OE1 GLU A 13 -37.875 -21.154 34.147 1.00 0.00 O ATOM 176 OE2 GLU A 13 -39.687 -22.367 34.319 1.00 0.00 O ATOM 0 H GLU A 13 -35.276 -25.835 33.529 1.00 0.00 H new ATOM 0 HA GLU A 13 -37.992 -25.765 34.362 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -35.900 -24.406 35.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -36.231 -23.376 33.739 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -38.404 -23.932 35.763 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.159 -22.751 36.115 1.00 0.00 H new ATOM 183 N ILE A 14 -37.275 -24.528 31.409 1.00 0.00 N ATOM 184 CA ILE A 14 -37.830 -24.069 30.154 1.00 0.00 C ATOM 185 C ILE A 14 -38.262 -25.251 29.293 1.00 0.00 C ATOM 186 O ILE A 14 -39.382 -25.295 28.790 1.00 0.00 O ATOM 187 CB ILE A 14 -36.792 -23.238 29.380 1.00 0.00 C ATOM 188 CG1 ILE A 14 -36.297 -22.090 30.255 1.00 0.00 C ATOM 189 CG2 ILE A 14 -37.393 -22.701 28.082 1.00 0.00 C ATOM 190 CD1 ILE A 14 -35.120 -21.354 29.677 1.00 0.00 C ATOM 0 H ILE A 14 -36.260 -24.624 31.407 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.699 -23.450 30.379 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.948 -23.878 29.122 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -37.114 -21.385 30.411 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -36.023 -22.483 31.234 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -36.644 -22.116 27.549 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.714 -23.535 27.458 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -38.250 -22.069 28.312 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.824 -20.552 30.354 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.287 -22.045 29.547 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -35.394 -20.930 28.711 1.00 0.00 H new ATOM 202 N VAL A 15 -37.368 -26.213 29.140 1.00 0.00 N ATOM 203 CA VAL A 15 -37.636 -27.384 28.328 1.00 0.00 C ATOM 204 C VAL A 15 -37.523 -28.653 29.172 1.00 0.00 C ATOM 205 O VAL A 15 -36.430 -29.182 29.374 1.00 0.00 O ATOM 206 CB VAL A 15 -36.673 -27.458 27.115 1.00 0.00 C ATOM 207 CG1 VAL A 15 -36.930 -28.704 26.288 1.00 0.00 C ATOM 208 CG2 VAL A 15 -36.810 -26.213 26.249 1.00 0.00 C ATOM 0 H VAL A 15 -36.444 -26.204 29.572 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.654 -27.302 27.946 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.654 -27.509 27.499 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.240 -28.729 25.444 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.779 -29.589 26.907 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.955 -28.690 25.918 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.127 -26.282 25.402 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -37.834 -26.135 25.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.567 -25.330 26.840 1.00 0.00 H new ATOM 218 N PRO A 16 -38.659 -29.147 29.690 1.00 0.00 N ATOM 219 CA PRO A 16 -38.691 -30.331 30.553 1.00 0.00 C ATOM 220 C PRO A 16 -38.301 -31.620 29.832 1.00 0.00 C ATOM 221 O PRO A 16 -37.870 -32.582 30.462 1.00 0.00 O ATOM 222 CB PRO A 16 -40.149 -30.404 31.016 1.00 0.00 C ATOM 223 CG PRO A 16 -40.922 -29.648 29.992 1.00 0.00 C ATOM 224 CD PRO A 16 -40.006 -28.578 29.479 1.00 0.00 C ATOM 0 HA PRO A 16 -37.969 -30.242 31.365 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.490 -31.437 31.083 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -40.270 -29.964 32.006 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.243 -30.305 29.184 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -41.822 -29.214 30.427 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.190 -28.362 28.427 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -40.137 -27.643 30.024 1.00 0.00 H new ATOM 232 N THR A 17 -38.444 -31.636 28.515 1.00 0.00 N ATOM 233 CA THR A 17 -38.120 -32.821 27.743 1.00 0.00 C ATOM 234 C THR A 17 -36.597 -32.974 27.574 1.00 0.00 C ATOM 235 O THR A 17 -36.098 -34.051 27.256 1.00 0.00 O ATOM 236 CB THR A 17 -38.846 -32.827 26.370 1.00 0.00 C ATOM 237 OG1 THR A 17 -38.647 -34.077 25.708 1.00 0.00 O ATOM 238 CG2 THR A 17 -38.356 -31.700 25.474 1.00 0.00 C ATOM 0 H THR A 17 -38.780 -30.846 27.964 1.00 0.00 H new ATOM 0 HA THR A 17 -38.481 -33.685 28.302 1.00 0.00 H new ATOM 0 HB THR A 17 -39.908 -32.678 26.563 1.00 0.00 H new ATOM 0 HG1 THR A 17 -37.737 -34.398 25.882 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.886 -31.735 24.522 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.544 -30.742 25.959 1.00 0.00 H new ATOM 0 HG23 THR A 17 -37.286 -31.814 25.298 1.00 0.00 H new ATOM 246 N ARG A 18 -35.866 -31.893 27.814 1.00 0.00 N ATOM 247 CA ARG A 18 -34.409 -31.917 27.754 1.00 0.00 C ATOM 248 C ARG A 18 -33.830 -31.125 28.918 1.00 0.00 C ATOM 249 O ARG A 18 -33.401 -29.987 28.748 1.00 0.00 O ATOM 250 CB ARG A 18 -33.882 -31.351 26.427 1.00 0.00 C ATOM 251 CG ARG A 18 -34.185 -32.208 25.210 1.00 0.00 C ATOM 252 CD ARG A 18 -33.524 -31.638 23.970 1.00 0.00 C ATOM 253 NE ARG A 18 -33.825 -32.422 22.772 1.00 0.00 N ATOM 254 CZ ARG A 18 -32.931 -32.739 21.831 1.00 0.00 C ATOM 255 NH1 ARG A 18 -31.647 -32.414 21.983 1.00 0.00 N ATOM 256 NH2 ARG A 18 -33.320 -33.400 20.747 1.00 0.00 N ATOM 0 H ARG A 18 -36.261 -30.983 28.053 1.00 0.00 H new ATOM 0 HA ARG A 18 -34.092 -32.958 27.821 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -34.311 -30.361 26.274 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -32.802 -31.222 26.505 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -33.833 -33.226 25.380 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -35.263 -32.265 25.059 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -33.857 -30.611 23.823 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -32.445 -31.605 24.119 1.00 0.00 H new ATOM 0 HE ARG A 18 -34.783 -32.749 22.647 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -31.342 -31.920 22.822 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -30.970 -32.659 21.261 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -34.299 -33.664 20.635 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -32.640 -33.644 20.027 1.00 0.00 H new ATOM 270 N PRO A 19 -33.839 -31.707 30.130 1.00 0.00 N ATOM 271 CA PRO A 19 -33.353 -31.024 31.328 1.00 0.00 C ATOM 272 C PRO A 19 -31.863 -30.688 31.265 1.00 0.00 C ATOM 273 O PRO A 19 -31.436 -29.651 31.767 1.00 0.00 O ATOM 274 CB PRO A 19 -33.633 -32.025 32.460 1.00 0.00 C ATOM 275 CG PRO A 19 -33.747 -33.347 31.784 1.00 0.00 C ATOM 276 CD PRO A 19 -34.317 -33.070 30.425 1.00 0.00 C ATOM 0 HA PRO A 19 -33.846 -30.061 31.461 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.828 -32.025 33.195 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -34.550 -31.773 32.992 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.773 -33.831 31.707 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -34.393 -34.019 32.348 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.964 -33.789 29.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -35.406 -33.123 30.427 1.00 0.00 H new ATOM 284 N TYR A 20 -31.083 -31.543 30.628 1.00 0.00 N ATOM 285 CA TYR A 20 -29.649 -31.335 30.558 1.00 0.00 C ATOM 286 C TYR A 20 -29.146 -31.290 29.130 1.00 0.00 C ATOM 287 O TYR A 20 -29.627 -32.021 28.254 1.00 0.00 O ATOM 288 CB TYR A 20 -28.896 -32.407 31.350 1.00 0.00 C ATOM 289 CG TYR A 20 -29.118 -32.331 32.843 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.367 -31.466 33.628 1.00 0.00 C ATOM 291 CD2 TYR A 20 -30.076 -33.121 33.471 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.563 -31.386 34.991 1.00 0.00 C ATOM 293 CE2 TYR A 20 -30.279 -33.046 34.835 1.00 0.00 C ATOM 294 CZ TYR A 20 -29.521 -32.178 35.591 1.00 0.00 C ATOM 295 OH TYR A 20 -29.722 -32.098 36.952 1.00 0.00 O ATOM 0 H TYR A 20 -31.416 -32.383 30.155 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.452 -30.362 31.009 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -29.204 -33.391 30.996 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.829 -32.314 31.146 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.616 -30.845 33.163 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -30.670 -33.804 32.882 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.970 -30.707 35.586 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -31.028 -33.665 35.307 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.432 -32.720 37.215 1.00 0.00 H new ATOM 305 N VAL A 21 -28.199 -30.409 28.904 1.00 0.00 N ATOM 306 CA VAL A 21 -27.561 -30.253 27.623 1.00 0.00 C ATOM 307 C VAL A 21 -26.084 -29.948 27.833 1.00 0.00 C ATOM 308 O VAL A 21 -25.677 -29.497 28.908 1.00 0.00 O ATOM 309 CB VAL A 21 -28.231 -29.127 26.791 1.00 0.00 C ATOM 310 CG1 VAL A 21 -28.070 -27.769 27.457 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.715 -29.091 25.361 1.00 0.00 C ATOM 0 H VAL A 21 -27.847 -29.772 29.618 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.669 -31.182 27.064 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.295 -29.359 26.750 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.551 -27.005 26.846 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.533 -27.790 28.443 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -27.010 -27.537 27.559 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.211 -28.288 24.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.639 -28.915 25.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.924 -30.044 24.875 1.00 0.00 H new ATOM 321 N SER A 22 -25.293 -30.217 26.844 1.00 0.00 N ATOM 322 CA SER A 22 -23.871 -29.951 26.921 1.00 0.00 C ATOM 323 C SER A 22 -23.462 -28.968 25.841 1.00 0.00 C ATOM 324 O SER A 22 -23.829 -29.129 24.674 1.00 0.00 O ATOM 325 CB SER A 22 -23.070 -31.250 26.817 1.00 0.00 C ATOM 326 OG SER A 22 -23.535 -32.054 25.746 1.00 0.00 O ATOM 0 H SER A 22 -25.600 -30.625 25.961 1.00 0.00 H new ATOM 0 HA SER A 22 -23.652 -29.503 27.890 1.00 0.00 H new ATOM 0 HB2 SER A 22 -22.015 -31.019 26.670 1.00 0.00 H new ATOM 0 HB3 SER A 22 -23.148 -31.804 27.752 1.00 0.00 H new ATOM 0 HG SER A 22 -23.005 -32.877 25.701 1.00 0.00 H new ATOM 332 N ILE A 23 -22.713 -27.951 26.224 1.00 0.00 N ATOM 333 CA ILE A 23 -22.309 -26.915 25.292 1.00 0.00 C ATOM 334 C ILE A 23 -20.801 -26.754 25.298 1.00 0.00 C ATOM 335 O ILE A 23 -20.131 -27.163 26.251 1.00 0.00 O ATOM 336 CB ILE A 23 -22.942 -25.559 25.654 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.408 -25.065 26.998 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.449 -25.687 25.691 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.826 -23.657 27.335 1.00 0.00 C ATOM 0 H ILE A 23 -22.371 -27.820 27.176 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.651 -27.221 24.303 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.674 -24.827 24.892 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.754 -25.735 27.785 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.319 -25.119 26.989 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.890 -24.724 25.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.811 -26.003 24.713 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.733 -26.427 26.439 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.410 -23.376 28.302 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.457 -22.975 26.569 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -23.914 -23.601 27.378 1.00 0.00 H new ATOM 351 N LEU A 24 -20.270 -26.158 24.251 1.00 0.00 N ATOM 352 CA LEU A 24 -18.849 -25.914 24.176 1.00 0.00 C ATOM 353 C LEU A 24 -18.611 -24.405 24.294 1.00 0.00 C ATOM 354 O LEU A 24 -18.918 -23.641 23.375 1.00 0.00 O ATOM 355 CB LEU A 24 -18.289 -26.450 22.840 1.00 0.00 C ATOM 356 CG LEU A 24 -16.791 -26.846 22.812 1.00 0.00 C ATOM 357 CD1 LEU A 24 -15.893 -25.738 23.342 1.00 0.00 C ATOM 358 CD2 LEU A 24 -16.567 -28.137 23.589 1.00 0.00 C ATOM 0 H LEU A 24 -20.802 -25.835 23.443 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.335 -26.430 24.987 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.875 -27.323 22.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.453 -25.691 22.075 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.518 -27.008 21.769 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.853 -26.062 23.303 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.018 -24.845 22.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.164 -25.512 24.373 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.510 -28.401 23.559 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.877 -27.997 24.625 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.154 -28.938 23.140 1.00 0.00 H new ATOM 370 N ALA A 25 -18.070 -23.987 25.422 1.00 0.00 N ATOM 371 CA ALA A 25 -17.818 -22.584 25.683 1.00 0.00 C ATOM 372 C ALA A 25 -16.456 -22.414 26.319 1.00 0.00 C ATOM 373 O ALA A 25 -15.954 -23.330 26.965 1.00 0.00 O ATOM 374 CB ALA A 25 -18.899 -22.014 26.590 1.00 0.00 C ATOM 0 H ALA A 25 -17.793 -24.609 26.181 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.836 -22.040 24.738 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.697 -20.959 26.778 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.871 -22.117 26.107 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.904 -22.557 27.535 1.00 0.00 H new ATOM 380 N GLU A 26 -15.856 -21.257 26.124 1.00 0.00 N ATOM 381 CA GLU A 26 -14.551 -20.975 26.690 1.00 0.00 C ATOM 382 C GLU A 26 -14.696 -19.997 27.844 1.00 0.00 C ATOM 383 O GLU A 26 -15.673 -19.250 27.905 1.00 0.00 O ATOM 384 CB GLU A 26 -13.617 -20.412 25.619 1.00 0.00 C ATOM 385 CG GLU A 26 -13.426 -21.347 24.435 1.00 0.00 C ATOM 386 CD GLU A 26 -12.435 -20.824 23.423 1.00 0.00 C ATOM 387 OE1 GLU A 26 -12.821 -20.000 22.562 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.266 -21.254 23.467 1.00 0.00 O ATOM 0 H GLU A 26 -16.253 -20.494 25.576 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.116 -21.901 27.066 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.015 -19.462 25.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.646 -20.202 26.068 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.089 -22.318 24.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.387 -21.505 23.946 1.00 0.00 H new ATOM 395 N ILE A 27 -13.729 -19.992 28.756 1.00 0.00 N ATOM 396 CA ILE A 27 -13.805 -19.125 29.927 1.00 0.00 C ATOM 397 C ILE A 27 -13.734 -17.651 29.559 1.00 0.00 C ATOM 398 O ILE A 27 -14.311 -16.807 30.238 1.00 0.00 O ATOM 399 CB ILE A 27 -12.733 -19.453 30.997 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.984 -18.604 32.242 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.327 -19.211 30.458 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.243 -19.058 33.460 1.00 0.00 C ATOM 0 H ILE A 27 -12.891 -20.572 28.708 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.783 -19.327 30.365 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.808 -20.509 31.258 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.705 -17.573 32.026 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.052 -18.607 32.459 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.595 -19.449 31.230 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.157 -19.846 29.588 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.223 -18.165 30.170 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.479 -18.400 34.296 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.538 -20.078 33.706 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.171 -19.028 33.266 1.00 0.00 H new ATOM 414 N ASN A 28 -13.062 -17.348 28.472 1.00 0.00 N ATOM 415 CA ASN A 28 -12.901 -15.969 28.047 1.00 0.00 C ATOM 416 C ASN A 28 -14.102 -15.493 27.233 1.00 0.00 C ATOM 417 O ASN A 28 -14.079 -14.409 26.651 1.00 0.00 O ATOM 418 CB ASN A 28 -11.588 -15.785 27.261 1.00 0.00 C ATOM 419 CG ASN A 28 -11.440 -16.743 26.084 1.00 0.00 C ATOM 420 OD1 ASN A 28 -12.419 -17.200 25.500 1.00 0.00 O ATOM 421 ND2 ASN A 28 -10.203 -17.056 25.733 1.00 0.00 N ATOM 0 H ASN A 28 -12.617 -18.035 27.864 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.847 -15.350 28.943 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.535 -14.760 26.893 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.746 -15.924 27.939 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.040 -17.695 24.955 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.413 -16.658 26.240 1.00 0.00 H new ATOM 428 N GLU A 29 -15.149 -16.298 27.216 1.00 0.00 N ATOM 429 CA GLU A 29 -16.364 -15.950 26.516 1.00 0.00 C ATOM 430 C GLU A 29 -17.406 -15.439 27.485 1.00 0.00 C ATOM 431 O GLU A 29 -17.448 -15.852 28.647 1.00 0.00 O ATOM 432 CB GLU A 29 -16.900 -17.139 25.724 1.00 0.00 C ATOM 433 CG GLU A 29 -16.080 -17.470 24.490 1.00 0.00 C ATOM 434 CD GLU A 29 -16.119 -16.351 23.469 1.00 0.00 C ATOM 435 OE1 GLU A 29 -17.229 -15.964 23.052 1.00 0.00 O ATOM 436 OE2 GLU A 29 -15.048 -15.851 23.078 1.00 0.00 O ATOM 0 H GLU A 29 -15.178 -17.204 27.684 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.131 -15.154 25.809 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.931 -18.013 26.374 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.926 -16.930 25.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.047 -17.660 24.781 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.458 -18.387 24.038 1.00 0.00 H new ATOM 443 N ASN A 30 -18.242 -14.544 27.010 1.00 0.00 N ATOM 444 CA ASN A 30 -19.274 -13.955 27.836 1.00 0.00 C ATOM 445 C ASN A 30 -20.469 -14.887 27.950 1.00 0.00 C ATOM 446 O ASN A 30 -20.570 -15.884 27.218 1.00 0.00 O ATOM 447 CB ASN A 30 -19.704 -12.581 27.285 1.00 0.00 C ATOM 448 CG ASN A 30 -20.397 -12.648 25.926 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.191 -13.582 25.140 1.00 0.00 O ATOM 450 ND2 ASN A 30 -21.195 -11.641 25.631 1.00 0.00 N ATOM 0 H ASN A 30 -18.228 -14.205 26.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.862 -13.804 28.834 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.375 -12.107 28.001 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.825 -11.942 27.202 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.668 -11.613 24.728 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -21.339 -10.890 26.306 1.00 0.00 H new ATOM 457 N ALA A 31 -21.372 -14.562 28.859 1.00 0.00 N ATOM 458 CA ALA A 31 -22.546 -15.376 29.113 1.00 0.00 C ATOM 459 C ALA A 31 -23.425 -15.525 27.874 1.00 0.00 C ATOM 460 O ALA A 31 -24.132 -16.502 27.748 1.00 0.00 O ATOM 461 CB ALA A 31 -23.345 -14.805 30.271 1.00 0.00 C ATOM 0 H ALA A 31 -21.311 -13.727 29.441 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.198 -16.374 29.379 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.222 -15.427 30.449 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.725 -14.787 31.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.662 -13.791 30.029 1.00 0.00 H new ATOM 467 N ASP A 32 -23.374 -14.556 26.965 1.00 0.00 N ATOM 468 CA ASP A 32 -24.184 -14.626 25.741 1.00 0.00 C ATOM 469 C ASP A 32 -23.790 -15.829 24.900 1.00 0.00 C ATOM 470 O ASP A 32 -24.647 -16.512 24.339 1.00 0.00 O ATOM 471 CB ASP A 32 -24.055 -13.348 24.905 1.00 0.00 C ATOM 472 CG ASP A 32 -25.026 -13.329 23.728 1.00 0.00 C ATOM 473 OD1 ASP A 32 -24.759 -14.005 22.713 1.00 0.00 O ATOM 474 OD2 ASP A 32 -26.068 -12.655 23.822 1.00 0.00 O ATOM 0 H ASP A 32 -22.791 -13.723 27.045 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.224 -14.731 26.050 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.239 -12.481 25.539 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.034 -13.261 24.533 1.00 0.00 H new ATOM 479 N ARG A 33 -22.490 -16.091 24.820 1.00 0.00 N ATOM 480 CA ARG A 33 -21.984 -17.210 24.071 1.00 0.00 C ATOM 481 C ARG A 33 -22.459 -18.513 24.706 1.00 0.00 C ATOM 482 O ARG A 33 -22.912 -19.425 24.021 1.00 0.00 O ATOM 483 CB ARG A 33 -20.461 -17.159 24.068 1.00 0.00 C ATOM 484 CG ARG A 33 -19.811 -18.290 23.316 1.00 0.00 C ATOM 485 CD ARG A 33 -19.877 -18.080 21.811 1.00 0.00 C ATOM 486 NE ARG A 33 -19.067 -16.931 21.388 1.00 0.00 N ATOM 487 CZ ARG A 33 -19.167 -16.329 20.201 1.00 0.00 C ATOM 488 NH1 ARG A 33 -20.050 -16.753 19.307 1.00 0.00 N ATOM 489 NH2 ARG A 33 -18.372 -15.305 19.911 1.00 0.00 N ATOM 0 H ARG A 33 -21.769 -15.530 25.274 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.353 -17.163 23.046 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.140 -16.214 23.630 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.105 -17.170 25.098 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.770 -18.381 23.625 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.303 -19.228 23.574 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.528 -18.979 21.302 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -20.913 -17.926 21.510 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.379 -16.567 22.048 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.657 -17.543 19.525 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.122 -16.289 18.401 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.688 -14.981 20.595 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.446 -14.843 19.005 1.00 0.00 H new ATOM 503 N ILE A 34 -22.360 -18.569 26.027 1.00 0.00 N ATOM 504 CA ILE A 34 -22.782 -19.730 26.796 1.00 0.00 C ATOM 505 C ILE A 34 -24.295 -19.940 26.671 1.00 0.00 C ATOM 506 O ILE A 34 -24.769 -21.056 26.429 1.00 0.00 O ATOM 507 CB ILE A 34 -22.410 -19.530 28.287 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.889 -19.514 28.453 1.00 0.00 C ATOM 509 CG2 ILE A 34 -23.033 -20.613 29.160 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.433 -19.076 29.829 1.00 0.00 C ATOM 0 H ILE A 34 -21.984 -17.810 26.595 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.273 -20.610 26.404 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.810 -18.570 28.612 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.500 -20.512 28.251 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.458 -18.846 27.707 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.754 -20.446 30.201 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.118 -20.578 29.065 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.672 -21.591 28.840 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.344 -19.089 29.873 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.792 -18.066 30.027 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.834 -19.757 30.579 1.00 0.00 H new ATOM 522 N LEU A 35 -25.030 -18.852 26.810 1.00 0.00 N ATOM 523 CA LEU A 35 -26.476 -18.863 26.720 1.00 0.00 C ATOM 524 C LEU A 35 -26.925 -19.275 25.330 1.00 0.00 C ATOM 525 O LEU A 35 -27.784 -20.127 25.182 1.00 0.00 O ATOM 526 CB LEU A 35 -27.021 -17.467 27.076 1.00 0.00 C ATOM 527 CG LEU A 35 -28.538 -17.263 26.989 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.278 -18.263 27.868 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.894 -15.845 27.400 1.00 0.00 C ATOM 0 H LEU A 35 -24.635 -17.929 26.990 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.872 -19.592 27.427 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.706 -17.231 28.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.544 -16.741 26.418 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.845 -17.428 25.956 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.352 -18.094 27.786 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.044 -19.277 27.542 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.969 -18.135 28.905 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -29.973 -15.708 27.336 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.566 -15.670 28.425 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.398 -15.138 26.735 1.00 0.00 H new ATOM 541 N GLY A 36 -26.298 -18.694 24.321 1.00 0.00 N ATOM 542 CA GLY A 36 -26.654 -18.980 22.951 1.00 0.00 C ATOM 543 C GLY A 36 -26.351 -20.397 22.541 1.00 0.00 C ATOM 544 O GLY A 36 -27.122 -21.007 21.811 1.00 0.00 O ATOM 0 H GLY A 36 -25.539 -18.021 24.430 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.718 -18.788 22.812 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.118 -18.296 22.293 1.00 0.00 H new ATOM 548 N ALA A 37 -25.233 -20.929 23.011 1.00 0.00 N ATOM 549 CA ALA A 37 -24.841 -22.288 22.675 1.00 0.00 C ATOM 550 C ALA A 37 -25.900 -23.289 23.124 1.00 0.00 C ATOM 551 O ALA A 37 -26.337 -24.138 22.349 1.00 0.00 O ATOM 552 CB ALA A 37 -23.498 -22.620 23.305 1.00 0.00 C ATOM 0 H ALA A 37 -24.582 -20.440 23.626 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.748 -22.357 21.591 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.217 -23.641 23.045 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.741 -21.929 22.933 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.572 -22.529 24.389 1.00 0.00 H new ATOM 558 N ALA A 38 -26.312 -23.176 24.377 1.00 0.00 N ATOM 559 CA ALA A 38 -27.331 -24.054 24.936 1.00 0.00 C ATOM 560 C ALA A 38 -28.702 -23.754 24.343 1.00 0.00 C ATOM 561 O ALA A 38 -29.469 -24.660 24.024 1.00 0.00 O ATOM 562 CB ALA A 38 -27.369 -23.905 26.439 1.00 0.00 C ATOM 0 H ALA A 38 -25.954 -22.480 25.031 1.00 0.00 H new ATOM 0 HA ALA A 38 -27.073 -25.082 24.682 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -28.133 -24.564 26.851 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.397 -24.171 26.856 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.604 -22.872 26.696 1.00 0.00 H new ATOM 568 N LEU A 39 -28.977 -22.480 24.176 1.00 0.00 N ATOM 569 CA LEU A 39 -30.251 -21.998 23.668 1.00 0.00 C ATOM 570 C LEU A 39 -30.493 -22.509 22.253 1.00 0.00 C ATOM 571 O LEU A 39 -31.618 -22.872 21.888 1.00 0.00 O ATOM 572 CB LEU A 39 -30.237 -20.482 23.686 1.00 0.00 C ATOM 573 CG LEU A 39 -31.529 -19.796 23.358 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.587 -20.137 24.392 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.313 -18.316 23.304 1.00 0.00 C ATOM 0 H LEU A 39 -28.315 -21.735 24.391 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.059 -22.368 24.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -29.920 -20.156 24.676 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.480 -20.140 22.980 1.00 0.00 H new ATOM 0 HG LEU A 39 -31.877 -20.142 22.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.519 -19.631 24.140 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.751 -21.215 24.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.252 -19.810 25.377 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.254 -17.819 23.065 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -30.953 -17.965 24.271 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -30.575 -18.084 22.536 1.00 0.00 H new ATOM 587 N GLU A 40 -29.432 -22.524 21.464 1.00 0.00 N ATOM 588 CA GLU A 40 -29.475 -23.021 20.107 1.00 0.00 C ATOM 589 C GLU A 40 -29.879 -24.492 20.095 1.00 0.00 C ATOM 590 O GLU A 40 -30.636 -24.934 19.225 1.00 0.00 O ATOM 591 CB GLU A 40 -28.096 -22.807 19.446 1.00 0.00 C ATOM 592 CG GLU A 40 -27.938 -23.399 18.054 1.00 0.00 C ATOM 593 CD GLU A 40 -27.353 -24.798 18.076 1.00 0.00 C ATOM 594 OE1 GLU A 40 -26.122 -24.929 18.261 1.00 0.00 O ATOM 595 OE2 GLU A 40 -28.111 -25.766 17.903 1.00 0.00 O ATOM 0 H GLU A 40 -28.513 -22.189 21.753 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.224 -22.473 19.535 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.901 -21.736 19.391 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.332 -23.237 20.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.910 -23.424 17.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -27.296 -22.750 17.458 1.00 0.00 H new ATOM 602 N LYS A 41 -29.394 -25.241 21.079 1.00 0.00 N ATOM 603 CA LYS A 41 -29.704 -26.658 21.189 1.00 0.00 C ATOM 604 C LYS A 41 -31.198 -26.864 21.428 1.00 0.00 C ATOM 605 O LYS A 41 -31.794 -27.803 20.907 1.00 0.00 O ATOM 606 CB LYS A 41 -28.891 -27.312 22.310 1.00 0.00 C ATOM 607 CG LYS A 41 -27.403 -27.020 22.223 1.00 0.00 C ATOM 608 CD LYS A 41 -26.857 -27.303 20.839 1.00 0.00 C ATOM 609 CE LYS A 41 -25.386 -26.945 20.741 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.883 -27.086 19.356 1.00 0.00 N ATOM 0 H LYS A 41 -28.782 -24.887 21.814 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.432 -27.135 20.247 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.267 -26.964 23.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.045 -28.391 22.279 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.221 -25.976 22.480 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.870 -27.626 22.956 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -26.993 -28.358 20.601 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.422 -26.734 20.100 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.237 -25.920 21.081 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.809 -27.588 21.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.844 -27.034 19.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.183 -28.004 18.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.268 -26.320 18.767 1.00 0.00 H new ATOM 624 N TYR A 42 -31.798 -25.980 22.226 1.00 0.00 N ATOM 625 CA TYR A 42 -33.229 -26.053 22.500 1.00 0.00 C ATOM 626 C TYR A 42 -34.046 -25.452 21.350 1.00 0.00 C ATOM 627 O TYR A 42 -35.274 -25.516 21.350 1.00 0.00 O ATOM 628 CB TYR A 42 -33.591 -25.346 23.816 1.00 0.00 C ATOM 629 CG TYR A 42 -32.949 -25.940 25.056 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.448 -27.100 25.629 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.849 -25.340 25.655 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.877 -27.645 26.760 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.271 -25.879 26.793 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.792 -27.032 27.338 1.00 0.00 C ATOM 635 OH TYR A 42 -31.231 -27.569 28.474 1.00 0.00 O ATOM 0 H TYR A 42 -31.316 -25.210 22.690 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.478 -27.110 22.596 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.301 -24.298 23.741 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.674 -25.369 23.938 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.301 -27.587 25.180 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.437 -24.438 25.227 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.281 -28.550 27.189 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.418 -25.399 27.250 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.752 -28.348 28.759 1.00 0.00 H new ATOM 645 N GLY A 43 -33.353 -24.864 20.380 1.00 0.00 N ATOM 646 CA GLY A 43 -34.022 -24.283 19.229 1.00 0.00 C ATOM 647 C GLY A 43 -34.681 -22.951 19.542 1.00 0.00 C ATOM 648 O GLY A 43 -35.593 -22.524 18.838 1.00 0.00 O ATOM 0 H GLY A 43 -32.337 -24.779 20.370 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -33.299 -24.145 18.425 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.776 -24.979 18.863 1.00 0.00 H new ATOM 652 N LEU A 44 -34.218 -22.295 20.587 1.00 0.00 N ATOM 653 CA LEU A 44 -34.786 -21.016 21.008 1.00 0.00 C ATOM 654 C LEU A 44 -33.778 -19.880 20.829 1.00 0.00 C ATOM 655 O LEU A 44 -33.906 -18.824 21.444 1.00 0.00 O ATOM 656 CB LEU A 44 -35.236 -21.103 22.469 1.00 0.00 C ATOM 657 CG LEU A 44 -36.342 -22.115 22.765 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.615 -22.184 24.257 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.607 -21.752 22.010 1.00 0.00 C ATOM 0 H LEU A 44 -33.446 -22.623 21.167 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.650 -20.799 20.379 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.369 -21.350 23.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.578 -20.117 22.783 1.00 0.00 H new ATOM 0 HG LEU A 44 -36.009 -23.098 22.431 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.405 -22.910 24.449 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.708 -22.489 24.779 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -36.928 -21.203 24.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.385 -22.482 22.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -37.942 -20.761 22.316 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.404 -21.751 20.939 1.00 0.00 H new ATOM 671 N GLU A 45 -32.810 -20.099 19.942 1.00 0.00 N ATOM 672 CA GLU A 45 -31.710 -19.153 19.690 1.00 0.00 C ATOM 673 C GLU A 45 -32.218 -17.734 19.369 1.00 0.00 C ATOM 674 O GLU A 45 -31.664 -16.743 19.849 1.00 0.00 O ATOM 675 CB GLU A 45 -30.856 -19.676 18.524 1.00 0.00 C ATOM 676 CG GLU A 45 -29.708 -18.766 18.111 1.00 0.00 C ATOM 677 CD GLU A 45 -28.629 -18.648 19.165 1.00 0.00 C ATOM 678 OE1 GLU A 45 -28.746 -17.782 20.050 1.00 0.00 O ATOM 679 OE2 GLU A 45 -27.637 -19.401 19.087 1.00 0.00 O ATOM 0 H GLU A 45 -32.761 -20.942 19.370 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.114 -19.082 20.600 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.448 -20.649 18.799 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.503 -19.834 17.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -29.266 -19.145 17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -30.101 -17.774 17.891 1.00 0.00 H new ATOM 686 N HIS A 46 -33.280 -17.644 18.590 1.00 0.00 N ATOM 687 CA HIS A 46 -33.814 -16.347 18.170 1.00 0.00 C ATOM 688 C HIS A 46 -34.565 -15.643 19.313 1.00 0.00 C ATOM 689 O HIS A 46 -34.873 -14.456 19.227 1.00 0.00 O ATOM 690 CB HIS A 46 -34.733 -16.528 16.951 1.00 0.00 C ATOM 691 CG HIS A 46 -35.116 -15.247 16.272 1.00 0.00 C ATOM 692 ND1 HIS A 46 -36.346 -14.650 16.427 1.00 0.00 N ATOM 693 CD2 HIS A 46 -34.425 -14.458 15.421 1.00 0.00 C ATOM 694 CE1 HIS A 46 -36.396 -13.550 15.697 1.00 0.00 C ATOM 695 NE2 HIS A 46 -35.242 -13.409 15.077 1.00 0.00 N ATOM 0 H HIS A 46 -33.794 -18.449 18.232 1.00 0.00 H new ATOM 0 HA HIS A 46 -32.973 -15.711 17.894 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -34.235 -17.174 16.228 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -35.640 -17.043 17.268 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -33.415 -14.622 15.075 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -37.240 -12.880 15.621 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -34.996 -12.647 14.446 1.00 0.00 H new ATOM 703 N SER A 47 -34.831 -16.370 20.379 1.00 0.00 N ATOM 704 CA SER A 47 -35.571 -15.832 21.508 1.00 0.00 C ATOM 705 C SER A 47 -34.667 -15.655 22.735 1.00 0.00 C ATOM 706 O SER A 47 -35.135 -15.699 23.868 1.00 0.00 O ATOM 707 CB SER A 47 -36.734 -16.767 21.837 1.00 0.00 C ATOM 708 OG SER A 47 -37.548 -16.981 20.688 1.00 0.00 O ATOM 0 H SER A 47 -34.544 -17.343 20.490 1.00 0.00 H new ATOM 0 HA SER A 47 -35.954 -14.848 21.238 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.349 -17.720 22.199 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.335 -16.340 22.640 1.00 0.00 H new ATOM 0 HG SER A 47 -38.286 -17.583 20.918 1.00 0.00 H new ATOM 714 N LYS A 48 -33.381 -15.400 22.494 1.00 0.00 N ATOM 715 CA LYS A 48 -32.395 -15.266 23.579 1.00 0.00 C ATOM 716 C LYS A 48 -32.744 -14.118 24.512 1.00 0.00 C ATOM 717 O LYS A 48 -32.485 -14.176 25.710 1.00 0.00 O ATOM 718 CB LYS A 48 -30.995 -15.044 23.006 1.00 0.00 C ATOM 719 CG LYS A 48 -29.897 -15.114 24.058 1.00 0.00 C ATOM 720 CD LYS A 48 -28.530 -14.852 23.471 1.00 0.00 C ATOM 721 CE LYS A 48 -28.125 -15.919 22.475 1.00 0.00 C ATOM 722 NZ LYS A 48 -26.832 -15.593 21.820 1.00 0.00 N ATOM 0 H LYS A 48 -32.993 -15.281 21.558 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.414 -16.194 24.150 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -30.801 -15.793 22.238 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -30.960 -14.070 22.518 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.100 -14.385 24.842 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -29.907 -16.098 24.527 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.527 -13.879 22.981 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.794 -14.807 24.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.044 -16.880 22.983 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -28.901 -16.024 21.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -26.443 -16.449 21.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.985 -14.864 21.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.162 -15.238 22.532 1.00 0.00 H new ATOM 736 N ASP A 49 -33.349 -13.094 23.955 1.00 0.00 N ATOM 737 CA ASP A 49 -33.705 -11.885 24.696 1.00 0.00 C ATOM 738 C ASP A 49 -34.740 -12.176 25.801 1.00 0.00 C ATOM 739 O ASP A 49 -35.037 -11.314 26.632 1.00 0.00 O ATOM 740 CB ASP A 49 -34.251 -10.843 23.713 1.00 0.00 C ATOM 741 CG ASP A 49 -34.491 -9.489 24.337 1.00 0.00 C ATOM 742 OD1 ASP A 49 -33.514 -8.753 24.566 1.00 0.00 O ATOM 743 OD2 ASP A 49 -35.667 -9.144 24.568 1.00 0.00 O ATOM 0 H ASP A 49 -33.613 -13.067 22.970 1.00 0.00 H new ATOM 0 HA ASP A 49 -32.811 -11.502 25.188 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -33.549 -10.733 22.886 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -35.186 -11.210 23.290 1.00 0.00 H new ATOM 748 N ASP A 50 -35.286 -13.385 25.802 1.00 0.00 N ATOM 749 CA ASP A 50 -36.292 -13.774 26.786 1.00 0.00 C ATOM 750 C ASP A 50 -35.686 -14.652 27.900 1.00 0.00 C ATOM 751 O ASP A 50 -36.372 -15.017 28.859 1.00 0.00 O ATOM 752 CB ASP A 50 -37.439 -14.524 26.089 1.00 0.00 C ATOM 753 CG ASP A 50 -38.674 -14.693 26.969 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.404 -13.699 27.169 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.937 -15.826 27.443 1.00 0.00 O ATOM 0 H ASP A 50 -35.049 -14.116 25.131 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.678 -12.867 27.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -37.718 -13.986 25.183 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.085 -15.507 25.779 1.00 0.00 H new ATOM 760 N PHE A 51 -34.400 -14.970 27.791 1.00 0.00 N ATOM 761 CA PHE A 51 -33.769 -15.863 28.765 1.00 0.00 C ATOM 762 C PHE A 51 -32.436 -15.301 29.268 1.00 0.00 C ATOM 763 O PHE A 51 -31.782 -14.519 28.584 1.00 0.00 O ATOM 764 CB PHE A 51 -33.513 -17.234 28.139 1.00 0.00 C ATOM 765 CG PHE A 51 -34.704 -17.842 27.453 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.703 -18.459 28.177 1.00 0.00 C ATOM 767 CD2 PHE A 51 -34.818 -17.791 26.075 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.795 -19.017 27.539 1.00 0.00 C ATOM 769 CE2 PHE A 51 -35.907 -18.347 25.432 1.00 0.00 C ATOM 770 CZ PHE A 51 -36.894 -18.961 26.165 1.00 0.00 C ATOM 0 H PHE A 51 -33.781 -14.632 27.054 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.454 -15.953 29.608 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.702 -17.143 27.417 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.172 -17.916 28.918 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.631 -18.507 29.254 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.045 -17.310 25.494 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.571 -19.497 28.117 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -35.982 -18.299 24.356 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.746 -19.399 25.666 1.00 0.00 H new ATOM 780 N ILE A 52 -32.051 -15.707 30.475 1.00 0.00 N ATOM 781 CA ILE A 52 -30.762 -15.331 31.066 1.00 0.00 C ATOM 782 C ILE A 52 -30.158 -16.558 31.751 1.00 0.00 C ATOM 783 O ILE A 52 -30.814 -17.599 31.852 1.00 0.00 O ATOM 784 CB ILE A 52 -30.881 -14.169 32.105 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.747 -14.602 33.298 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.456 -12.914 31.449 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.812 -13.579 34.408 1.00 0.00 C ATOM 0 H ILE A 52 -32.620 -16.305 31.073 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.124 -14.972 30.258 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.882 -13.933 32.472 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.758 -14.807 32.946 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.354 -15.536 33.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.530 -12.118 32.190 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.802 -12.595 30.638 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.447 -13.133 31.051 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.441 -13.956 35.214 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.808 -13.391 34.789 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -32.234 -12.651 34.023 1.00 0.00 H new ATOM 799 N LEU A 53 -28.935 -16.449 32.223 1.00 0.00 N ATOM 800 CA LEU A 53 -28.283 -17.571 32.873 1.00 0.00 C ATOM 801 C LEU A 53 -28.329 -17.413 34.375 1.00 0.00 C ATOM 802 O LEU A 53 -28.240 -16.312 34.888 1.00 0.00 O ATOM 803 CB LEU A 53 -26.829 -17.695 32.413 1.00 0.00 C ATOM 804 CG LEU A 53 -26.617 -18.006 30.932 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.136 -18.005 30.604 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.230 -19.353 30.585 1.00 0.00 C ATOM 0 H LEU A 53 -28.372 -15.600 32.171 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.819 -18.478 32.593 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.315 -16.762 32.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.349 -18.478 33.000 1.00 0.00 H new ATOM 0 HG LEU A 53 -27.108 -17.235 30.339 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.997 -18.228 29.546 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.715 -17.025 30.827 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.630 -18.762 31.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.072 -19.563 29.527 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.759 -20.132 31.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.299 -19.331 30.795 1.00 0.00 H new ATOM 818 N VAL A 54 -28.502 -18.506 35.072 1.00 0.00 N ATOM 819 CA VAL A 54 -28.519 -18.482 36.516 1.00 0.00 C ATOM 820 C VAL A 54 -27.505 -19.455 37.075 1.00 0.00 C ATOM 821 O VAL A 54 -27.420 -20.607 36.640 1.00 0.00 O ATOM 822 CB VAL A 54 -29.918 -18.784 37.108 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.888 -17.658 36.795 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.452 -20.113 36.599 1.00 0.00 C ATOM 0 H VAL A 54 -28.634 -19.431 34.662 1.00 0.00 H new ATOM 0 HA VAL A 54 -28.256 -17.466 36.811 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.816 -18.857 38.191 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.865 -17.890 37.220 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.517 -16.728 37.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.980 -17.547 35.715 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.435 -20.299 37.031 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.533 -20.080 35.513 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.771 -20.914 36.888 1.00 0.00 H new ATOM 834 N GLU A 55 -26.726 -18.989 38.015 1.00 0.00 N ATOM 835 CA GLU A 55 -25.724 -19.816 38.647 1.00 0.00 C ATOM 836 C GLU A 55 -26.354 -20.545 39.816 1.00 0.00 C ATOM 837 O GLU A 55 -26.942 -19.921 40.693 1.00 0.00 O ATOM 838 CB GLU A 55 -24.551 -18.941 39.107 1.00 0.00 C ATOM 839 CG GLU A 55 -23.352 -19.706 39.633 1.00 0.00 C ATOM 840 CD GLU A 55 -23.459 -19.994 41.113 1.00 0.00 C ATOM 841 OE1 GLU A 55 -23.226 -19.075 41.921 1.00 0.00 O ATOM 842 OE2 GLU A 55 -23.788 -21.120 41.477 1.00 0.00 O ATOM 0 H GLU A 55 -26.765 -18.032 38.365 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.340 -20.553 37.941 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -24.229 -18.321 38.270 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.904 -18.266 39.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.256 -20.645 39.088 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.445 -19.132 39.441 1.00 0.00 H new ATOM 849 N VAL A 56 -26.257 -21.858 39.814 1.00 0.00 N ATOM 850 CA VAL A 56 -26.857 -22.665 40.859 1.00 0.00 C ATOM 851 C VAL A 56 -25.798 -23.513 41.544 1.00 0.00 C ATOM 852 O VAL A 56 -25.020 -24.208 40.876 1.00 0.00 O ATOM 853 CB VAL A 56 -27.948 -23.601 40.282 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.635 -24.389 41.392 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.962 -22.820 39.458 1.00 0.00 C ATOM 0 H VAL A 56 -25.766 -22.392 39.097 1.00 0.00 H new ATOM 0 HA VAL A 56 -27.313 -21.986 41.579 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.459 -24.314 39.618 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.396 -25.038 40.960 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.897 -24.995 41.918 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.103 -23.698 42.093 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.716 -23.503 39.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.443 -22.071 40.087 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.454 -22.326 38.630 1.00 0.00 H new ATOM 1112 N GLY A 73 -31.228 -19.784 41.590 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.883 -19.400 41.277 1.00 0.00 C ATOM 1114 C GLY A 73 -29.707 -17.913 41.210 1.00 0.00 C ATOM 1115 O GLY A 73 -30.642 -17.156 41.483 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.208 -19.808 42.030 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -29.597 -19.839 40.321 1.00 0.00 H new ATOM 1119 N ARG A 74 -28.516 -17.489 40.833 1.00 0.00 N ATOM 1120 CA ARG A 74 -28.198 -16.083 40.760 1.00 0.00 C ATOM 1121 C ARG A 74 -28.355 -15.593 39.325 1.00 0.00 C ATOM 1122 O ARG A 74 -27.720 -16.128 38.415 1.00 0.00 O ATOM 1123 CB ARG A 74 -26.764 -15.821 41.274 1.00 0.00 C ATOM 1124 CG ARG A 74 -26.505 -16.339 42.697 1.00 0.00 C ATOM 1125 CD ARG A 74 -26.148 -17.827 42.705 1.00 0.00 C ATOM 1126 NE ARG A 74 -26.648 -18.513 43.899 1.00 0.00 N ATOM 1127 CZ ARG A 74 -26.308 -19.762 44.269 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -25.412 -20.450 43.574 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -26.868 -20.314 45.344 1.00 0.00 N ATOM 0 H ARG A 74 -27.749 -18.108 40.571 1.00 0.00 H new ATOM 0 HA ARG A 74 -28.888 -15.531 41.398 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -26.054 -16.290 40.593 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -26.570 -14.749 41.248 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -25.694 -15.768 43.149 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -27.391 -16.175 43.310 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -26.562 -18.302 41.816 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -25.065 -17.939 42.651 1.00 0.00 H new ATOM 0 HE ARG A 74 -27.303 -18.006 44.495 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -24.975 -20.033 42.752 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -25.160 -21.396 43.861 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -27.555 -19.790 45.887 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -26.610 -21.260 45.624 1.00 0.00 H new ATOM 1143 N PRO A 75 -29.233 -14.593 39.102 1.00 0.00 N ATOM 1144 CA PRO A 75 -29.496 -14.041 37.764 1.00 0.00 C ATOM 1145 C PRO A 75 -28.270 -13.365 37.160 1.00 0.00 C ATOM 1146 O PRO A 75 -27.767 -12.369 37.684 1.00 0.00 O ATOM 1147 CB PRO A 75 -30.611 -13.017 38.005 1.00 0.00 C ATOM 1148 CG PRO A 75 -30.507 -12.676 39.450 1.00 0.00 C ATOM 1149 CD PRO A 75 -30.036 -13.924 40.137 1.00 0.00 C ATOM 0 HA PRO A 75 -29.767 -14.821 37.053 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -30.479 -12.134 37.380 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -31.589 -13.434 37.766 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -29.807 -11.856 39.608 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.470 -12.353 39.845 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -29.443 -13.697 41.023 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -30.871 -14.544 40.463 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.793 -13.926 36.071 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.634 -13.423 35.375 1.00 0.00 C ATOM 1159 C ILE A 76 -26.992 -13.065 33.934 1.00 0.00 C ATOM 1160 O ILE A 76 -27.436 -13.923 33.162 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.513 -14.482 35.368 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -25.209 -14.919 36.797 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -24.255 -13.933 34.699 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.519 -16.249 36.892 1.00 0.00 C ATOM 0 H ILE A 76 -28.205 -14.754 35.640 1.00 0.00 H new ATOM 0 HA ILE A 76 -26.287 -12.530 35.894 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.850 -15.346 34.795 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.586 -14.162 37.273 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -26.142 -14.963 37.359 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.477 -14.696 34.705 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.482 -13.654 33.670 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.907 -13.056 35.244 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.337 -16.490 37.939 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.149 -17.019 36.447 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.569 -16.205 36.359 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.834 -11.796 33.562 1.00 0.00 N ATOM 1177 CA PRO A 77 -27.089 -11.332 32.192 1.00 0.00 C ATOM 1178 C PRO A 77 -26.043 -11.881 31.208 1.00 0.00 C ATOM 1179 O PRO A 77 -24.937 -12.252 31.607 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.943 -9.815 32.312 1.00 0.00 C ATOM 1181 CG PRO A 77 -26.015 -9.647 33.451 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.404 -10.694 34.437 1.00 0.00 C ATOM 0 HA PRO A 77 -28.058 -11.658 31.813 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.541 -9.377 31.399 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.902 -9.333 32.501 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -24.979 -9.771 33.135 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -26.100 -8.650 33.883 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.569 -10.983 35.076 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -27.207 -10.358 35.094 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.385 -11.921 29.905 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.481 -12.420 28.853 1.00 0.00 C ATOM 1192 C PRO A 78 -24.175 -11.621 28.776 1.00 0.00 C ATOM 1193 O PRO A 78 -23.142 -12.126 28.332 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.280 -12.210 27.565 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.700 -12.113 27.992 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.689 -11.507 29.358 1.00 0.00 C ATOM 0 HA PRO A 78 -25.187 -13.453 29.038 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.962 -11.304 27.049 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.134 -13.039 26.873 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.273 -11.497 27.299 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.169 -13.097 28.007 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.781 -10.422 29.317 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.515 -11.874 29.967 1.00 0.00 H new ATOM 1204 N THR A 79 -24.239 -10.382 29.194 1.00 0.00 N ATOM 1205 CA THR A 79 -23.100 -9.482 29.121 1.00 0.00 C ATOM 1206 C THR A 79 -21.945 -9.863 30.075 1.00 0.00 C ATOM 1207 O THR A 79 -20.776 -9.640 29.757 1.00 0.00 O ATOM 1208 CB THR A 79 -23.547 -8.039 29.387 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.334 -7.995 30.587 1.00 0.00 O ATOM 1210 CG2 THR A 79 -24.369 -7.516 28.217 1.00 0.00 C ATOM 0 H THR A 79 -25.078 -9.963 29.595 1.00 0.00 H new ATOM 0 HA THR A 79 -22.705 -9.572 28.109 1.00 0.00 H new ATOM 0 HB THR A 79 -22.664 -7.411 29.505 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.618 -7.073 30.758 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.679 -6.491 28.420 1.00 0.00 H new ATOM 0 HG22 THR A 79 -23.766 -7.540 27.309 1.00 0.00 H new ATOM 0 HG23 THR A 79 -25.251 -8.142 28.083 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.273 -10.443 31.222 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.261 -10.773 32.232 1.00 0.00 C ATOM 1220 C GLU A 80 -20.554 -12.109 31.925 1.00 0.00 C ATOM 1221 O GLU A 80 -21.064 -12.932 31.172 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.910 -10.795 33.630 1.00 0.00 C ATOM 1223 CG GLU A 80 -20.929 -11.002 34.775 1.00 0.00 C ATOM 1224 CD GLU A 80 -19.797 -9.995 34.749 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -20.050 -8.798 34.988 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -18.655 -10.400 34.473 1.00 0.00 O ATOM 0 H GLU A 80 -23.227 -10.696 31.481 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.492 -10.001 32.209 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.439 -9.855 33.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.656 -11.589 33.659 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.460 -10.925 35.724 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.518 -12.010 34.721 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.367 -12.299 32.504 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.593 -13.527 32.326 1.00 0.00 C ATOM 1235 C CYS A 81 -18.405 -14.231 33.685 1.00 0.00 C ATOM 1236 O CYS A 81 -17.406 -14.020 34.372 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.226 -13.212 31.706 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.306 -12.229 30.189 1.00 0.00 S ATOM 0 H CYS A 81 -18.918 -11.609 33.106 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.137 -14.189 31.653 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.622 -12.678 32.440 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.713 -14.149 31.491 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.102 -12.015 29.746 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.376 -15.077 34.083 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.365 -15.740 35.396 1.00 0.00 C ATOM 1246 C PRO A 82 -18.287 -16.829 35.544 1.00 0.00 C ATOM 1247 O PRO A 82 -17.956 -17.235 36.661 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.771 -16.343 35.502 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.229 -16.528 34.090 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.557 -15.455 33.274 1.00 0.00 C ATOM 0 HA PRO A 82 -19.121 -15.032 36.188 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.752 -17.292 36.037 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.442 -15.682 36.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.961 -17.519 33.723 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.314 -16.445 34.021 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.266 -15.825 32.291 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.218 -14.604 33.111 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.740 -17.290 34.425 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.743 -18.366 34.443 1.00 0.00 C ATOM 1260 C LEU A 83 -15.468 -17.968 35.167 1.00 0.00 C ATOM 1261 O LEU A 83 -14.876 -18.786 35.882 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.402 -18.830 33.040 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.525 -19.481 32.260 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -17.006 -20.008 30.964 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.170 -20.593 33.050 1.00 0.00 C ATOM 0 H LEU A 83 -17.966 -16.940 33.494 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.201 -19.188 34.993 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.044 -17.971 32.473 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.575 -19.537 33.104 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.284 -18.724 32.065 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.820 -20.475 30.409 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.590 -19.188 30.378 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.228 -20.747 31.157 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.972 -21.039 32.462 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.425 -21.353 33.283 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.580 -20.191 33.976 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.040 -16.723 34.976 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.812 -16.242 35.595 1.00 0.00 C ATOM 1279 C PHE A 84 -13.854 -16.383 37.100 1.00 0.00 C ATOM 1280 O PHE A 84 -12.916 -16.884 37.696 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.524 -14.795 35.199 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.782 -14.653 33.902 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.449 -14.662 32.701 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.404 -14.498 33.897 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -12.769 -14.518 31.514 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.715 -14.356 32.712 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.400 -14.367 31.517 1.00 0.00 C ATOM 0 H PHE A 84 -15.523 -16.033 34.400 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.999 -16.866 35.224 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.468 -14.254 35.127 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.944 -14.321 35.991 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.522 -14.784 32.689 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.865 -14.488 34.833 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.309 -14.523 30.579 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.642 -14.237 32.720 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.865 -14.258 30.585 1.00 0.00 H new ATOM 1297 N GLU A 85 -14.954 -15.983 37.708 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.081 -16.090 39.149 1.00 0.00 C ATOM 1299 C GLU A 85 -15.106 -17.540 39.592 1.00 0.00 C ATOM 1300 O GLU A 85 -14.439 -17.912 40.560 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.332 -15.385 39.645 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.295 -13.883 39.500 1.00 0.00 C ATOM 1303 CD GLU A 85 -17.513 -13.237 40.101 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -17.703 -13.364 41.334 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -18.295 -12.612 39.353 1.00 0.00 O ATOM 0 H GLU A 85 -15.764 -15.585 37.233 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.208 -15.604 39.584 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.193 -15.770 39.099 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.483 -15.634 40.695 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.400 -13.492 39.984 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.227 -13.621 38.444 1.00 0.00 H new ATOM 1312 N MET A 86 -15.850 -18.365 38.863 1.00 0.00 N ATOM 1313 CA MET A 86 -15.991 -19.762 39.231 1.00 0.00 C ATOM 1314 C MET A 86 -14.663 -20.504 39.168 1.00 0.00 C ATOM 1315 O MET A 86 -14.332 -21.268 40.061 1.00 0.00 O ATOM 1316 CB MET A 86 -17.047 -20.477 38.355 1.00 0.00 C ATOM 1317 CG MET A 86 -18.483 -20.090 38.702 1.00 0.00 C ATOM 1318 SD MET A 86 -19.718 -21.208 37.994 1.00 0.00 S ATOM 1319 CE MET A 86 -19.454 -20.970 36.249 1.00 0.00 C ATOM 0 H MET A 86 -16.359 -18.091 38.023 1.00 0.00 H new ATOM 0 HA MET A 86 -16.335 -19.778 40.265 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.858 -20.243 37.307 1.00 0.00 H new ATOM 0 HB3 MET A 86 -16.932 -21.555 38.467 1.00 0.00 H new ATOM 0 HG2 MET A 86 -18.596 -20.075 39.786 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.675 -19.077 38.348 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.193 -21.542 35.688 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.554 -19.912 36.007 1.00 0.00 H new ATOM 0 HE3 MET A 86 -18.453 -21.310 35.983 1.00 0.00 H new ATOM 1329 N THR A 87 -13.903 -20.265 38.128 1.00 0.00 N ATOM 1330 CA THR A 87 -12.643 -20.958 37.945 1.00 0.00 C ATOM 1331 C THR A 87 -11.499 -20.341 38.782 1.00 0.00 C ATOM 1332 O THR A 87 -10.705 -21.066 39.378 1.00 0.00 O ATOM 1333 CB THR A 87 -12.253 -20.994 36.455 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.427 -21.265 35.671 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.232 -22.094 36.195 1.00 0.00 C ATOM 0 H THR A 87 -14.131 -19.596 37.393 1.00 0.00 H new ATOM 0 HA THR A 87 -12.791 -21.977 38.302 1.00 0.00 H new ATOM 0 HB THR A 87 -11.820 -20.032 36.183 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.971 -20.452 35.604 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.969 -22.104 35.137 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.338 -21.908 36.790 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.658 -23.058 36.472 1.00 0.00 H new ATOM 1495 N PHE A 100 -23.036 -24.925 38.926 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.280 -25.052 37.515 1.00 0.00 C ATOM 1497 C PHE A 100 -24.045 -23.852 37.030 1.00 0.00 C ATOM 1498 O PHE A 100 -24.638 -23.118 37.826 1.00 0.00 O ATOM 1499 CB PHE A 100 -24.037 -26.347 37.153 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.427 -26.475 37.745 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.513 -25.804 37.181 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.650 -27.295 38.834 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.789 -25.956 37.711 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.917 -27.446 39.365 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.985 -26.778 38.804 1.00 0.00 C ATOM 0 HA PHE A 100 -22.311 -25.107 37.019 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.116 -26.410 36.068 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.441 -27.199 37.480 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.361 -25.162 36.326 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.821 -27.827 39.278 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.625 -25.433 37.270 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -27.071 -28.088 40.220 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.975 -26.897 39.219 1.00 0.00 H new ATOM 1515 N LEU A 101 -24.038 -23.648 35.748 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.722 -22.535 35.177 1.00 0.00 C ATOM 1517 C LEU A 101 -25.906 -23.034 34.368 1.00 0.00 C ATOM 1518 O LEU A 101 -25.749 -23.830 33.440 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.745 -21.739 34.325 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.237 -20.408 33.782 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.699 -19.508 34.916 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.118 -19.746 33.027 1.00 0.00 C ATOM 0 H LEU A 101 -23.560 -24.246 35.074 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.107 -21.876 35.955 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.849 -21.554 34.918 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.445 -22.360 33.481 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.083 -20.581 33.116 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -25.048 -18.559 34.508 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.513 -19.992 35.456 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.868 -19.326 35.598 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.461 -18.789 32.633 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.275 -19.581 33.697 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.806 -20.387 32.203 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.081 -22.585 34.736 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.300 -23.038 34.111 1.00 0.00 C ATOM 1536 C ALA A 102 -29.004 -21.903 33.399 1.00 0.00 C ATOM 1537 O ALA A 102 -28.585 -20.750 33.488 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.206 -23.654 35.153 1.00 0.00 C ATOM 0 H ALA A 102 -27.219 -21.897 35.476 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.048 -23.791 33.364 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.126 -23.996 34.679 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.702 -24.501 35.619 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.444 -22.910 35.914 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.075 -22.229 32.701 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.825 -21.242 31.948 1.00 0.00 C ATOM 1546 C ILE A 103 -32.191 -21.004 32.584 1.00 0.00 C ATOM 1547 O ILE A 103 -32.929 -21.950 32.872 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.051 -21.704 30.491 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.725 -22.043 29.821 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.766 -20.617 29.695 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.894 -22.664 28.459 1.00 0.00 C ATOM 0 H ILE A 103 -30.447 -23.177 32.640 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.239 -20.323 31.956 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.672 -22.599 30.512 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.129 -21.135 29.729 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.167 -22.728 30.459 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.918 -20.957 28.671 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.732 -20.405 30.154 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.160 -19.711 29.690 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.914 -22.882 28.034 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.464 -23.588 28.549 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.426 -21.971 27.807 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.515 -19.752 32.805 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.806 -19.366 33.333 1.00 0.00 C ATOM 1565 C LYS A 104 -34.430 -18.330 32.461 1.00 0.00 C ATOM 1566 O LYS A 104 -33.765 -17.699 31.638 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.703 -18.805 34.747 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.849 -19.826 35.869 1.00 0.00 C ATOM 1569 CD LYS A 104 -35.295 -20.301 36.024 1.00 0.00 C ATOM 1570 CE LYS A 104 -36.251 -19.141 36.321 1.00 0.00 C ATOM 1571 NZ LYS A 104 -37.666 -19.593 36.425 1.00 0.00 N ATOM 0 H LYS A 104 -31.889 -18.967 32.623 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.419 -20.267 33.358 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.738 -18.309 34.853 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.470 -18.040 34.873 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -33.205 -20.682 35.667 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -33.509 -19.386 36.807 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -35.611 -20.806 35.111 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -35.352 -21.033 36.830 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -35.956 -18.658 37.253 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.167 -18.392 35.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -38.264 -18.797 36.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -37.989 -19.938 35.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -37.735 -20.361 37.123 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.695 -18.151 32.639 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.419 -17.151 31.915 1.00 0.00 C ATOM 1587 C ARG A 105 -36.269 -15.815 32.619 1.00 0.00 C ATOM 1588 O ARG A 105 -36.353 -15.746 33.850 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.886 -17.551 31.789 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.102 -18.760 30.891 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.560 -19.180 30.837 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.005 -19.832 32.074 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.286 -20.013 32.402 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.250 -19.485 31.654 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.601 -20.722 33.478 1.00 0.00 N ATOM 0 H ARG A 105 -36.261 -18.693 33.291 1.00 0.00 H new ATOM 0 HA ARG A 105 -36.014 -17.060 30.907 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.283 -17.767 32.781 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.453 -16.708 31.395 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.754 -18.529 29.884 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.499 -19.592 31.254 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -40.180 -18.304 30.649 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -39.708 -19.861 29.998 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.292 -20.167 32.722 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -42.012 -18.939 30.826 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.228 -19.626 31.908 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -40.864 -21.129 34.054 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.580 -20.860 33.729 1.00 0.00 H new ATOM 1609 N LYS A 106 -36.002 -14.775 31.842 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.808 -13.421 32.378 1.00 0.00 C ATOM 1611 C LYS A 106 -36.939 -13.011 33.337 1.00 0.00 C ATOM 1612 O LYS A 106 -38.121 -13.219 33.050 1.00 0.00 O ATOM 1613 CB LYS A 106 -35.699 -12.413 31.234 1.00 0.00 C ATOM 1614 CG LYS A 106 -36.962 -12.311 30.395 1.00 0.00 C ATOM 1615 CD LYS A 106 -36.799 -11.362 29.223 1.00 0.00 C ATOM 1616 CE LYS A 106 -36.488 -9.951 29.680 1.00 0.00 C ATOM 1617 NZ LYS A 106 -36.586 -8.980 28.568 1.00 0.00 N ATOM 0 H LYS A 106 -35.913 -14.837 30.828 1.00 0.00 H new ATOM 0 HA LYS A 106 -34.880 -13.426 32.949 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -35.466 -11.431 31.646 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -34.866 -12.695 30.590 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -37.230 -13.300 30.024 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -37.786 -11.972 31.023 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -35.998 -11.719 28.575 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -37.713 -11.358 28.628 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -37.178 -9.665 30.474 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -35.484 -9.919 30.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -36.366 -8.026 28.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -35.910 -9.238 27.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -37.551 -8.992 28.180 1.00 0.00 H new