USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 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 Set 1.1: A 30 ASN : amide:sc= 0.194 K(o=0.45,f=-3.8!) USER MOD Set 1.2: A 81 CYS SG : rot -83:sc= 0.261 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00619 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 -31:sc= 0.537 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= -1.1 K(o=-1.1,f=-0.43) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.23) USER MOD Single : A 42 TYR OH : rot -25:sc= -0.0917 USER MOD Single : A 46 HIS : no HD1:sc=-0.00988 X(o=-0.0099,f=-0.0099) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 86 MET CE :methyl 176:sc= -1.31 (180deg=-1.39) USER MOD Single : A 87 THR OG1 : rot 77:sc= 0.971 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.680 -27.557 28.933 1.00 0.00 N ATOM 59 CA GLY A 5 -14.184 -27.046 27.675 1.00 0.00 C ATOM 60 C GLY A 5 -15.675 -27.236 27.539 1.00 0.00 C ATOM 61 O GLY A 5 -16.371 -26.393 26.966 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.946 -25.985 27.594 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.679 -27.550 26.851 1.00 0.00 H new ATOM 65 N SER A 6 -16.172 -28.336 28.067 1.00 0.00 N ATOM 66 CA SER A 6 -17.586 -28.624 28.019 1.00 0.00 C ATOM 67 C SER A 6 -18.259 -28.172 29.305 1.00 0.00 C ATOM 68 O SER A 6 -17.727 -28.383 30.398 1.00 0.00 O ATOM 69 CB SER A 6 -17.807 -30.118 27.818 1.00 0.00 C ATOM 70 OG SER A 6 -17.082 -30.865 28.790 1.00 0.00 O ATOM 0 H SER A 6 -15.612 -29.047 28.536 1.00 0.00 H new ATOM 0 HA SER A 6 -18.025 -28.082 27.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.870 -30.348 27.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.488 -30.407 26.817 1.00 0.00 H new ATOM 0 HG SER A 6 -17.236 -31.822 28.648 1.00 0.00 H new ATOM 76 N LEU A 7 -19.413 -27.564 29.176 1.00 0.00 N ATOM 77 CA LEU A 7 -20.152 -27.104 30.326 1.00 0.00 C ATOM 78 C LEU A 7 -21.418 -27.873 30.523 1.00 0.00 C ATOM 79 O LEU A 7 -22.154 -28.148 29.570 1.00 0.00 O ATOM 80 CB LEU A 7 -20.465 -25.618 30.234 1.00 0.00 C ATOM 81 CG LEU A 7 -19.292 -24.696 30.495 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.663 -23.258 30.171 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.865 -24.830 31.952 1.00 0.00 C ATOM 0 H LEU A 7 -19.863 -27.375 28.280 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.509 -27.274 31.190 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.859 -25.407 29.240 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.256 -25.385 30.947 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.459 -24.977 29.851 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.809 -22.609 30.364 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.945 -23.183 29.121 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.502 -22.949 30.795 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.021 -24.169 32.146 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.697 -24.557 32.601 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.572 -25.861 32.152 1.00 0.00 H new ATOM 95 N LYS A 8 -21.656 -28.243 31.760 1.00 0.00 N ATOM 96 CA LYS A 8 -22.878 -28.885 32.132 1.00 0.00 C ATOM 97 C LYS A 8 -23.911 -27.807 32.344 1.00 0.00 C ATOM 98 O LYS A 8 -23.843 -27.044 33.311 1.00 0.00 O ATOM 99 CB LYS A 8 -22.673 -29.695 33.400 1.00 0.00 C ATOM 100 CG LYS A 8 -23.852 -30.561 33.774 1.00 0.00 C ATOM 101 CD LYS A 8 -23.514 -31.435 34.956 1.00 0.00 C ATOM 102 CE LYS A 8 -23.438 -30.645 36.254 1.00 0.00 C ATOM 103 NZ LYS A 8 -23.146 -31.529 37.409 1.00 0.00 N ATOM 0 H LYS A 8 -21.003 -28.104 32.531 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.210 -29.571 31.353 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.795 -30.329 33.276 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.460 -29.013 34.224 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.710 -29.933 34.013 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.138 -31.182 32.925 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.266 -32.218 35.053 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.559 -31.930 34.778 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.664 -29.882 36.173 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -24.381 -30.125 36.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.101 -30.960 38.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.898 -32.241 37.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.234 -32.006 37.259 1.00 0.00 H new ATOM 117 N VAL A 9 -24.846 -27.733 31.443 1.00 0.00 N ATOM 118 CA VAL A 9 -25.809 -26.667 31.440 1.00 0.00 C ATOM 119 C VAL A 9 -27.217 -27.213 31.657 1.00 0.00 C ATOM 120 O VAL A 9 -27.632 -28.168 31.007 1.00 0.00 O ATOM 121 CB VAL A 9 -25.685 -25.890 30.104 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.792 -24.889 29.896 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.345 -25.194 30.047 1.00 0.00 C ATOM 0 H VAL A 9 -24.964 -28.409 30.689 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.611 -25.980 32.263 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.770 -26.621 29.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.647 -24.379 28.944 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.752 -25.405 29.889 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.778 -24.158 30.705 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.258 -24.648 29.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.261 -24.497 30.881 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.547 -25.934 30.111 1.00 0.00 H new ATOM 133 N TYR A 10 -27.931 -26.614 32.586 1.00 0.00 N ATOM 134 CA TYR A 10 -29.252 -27.086 32.965 1.00 0.00 C ATOM 135 C TYR A 10 -30.353 -26.144 32.475 1.00 0.00 C ATOM 136 O TYR A 10 -30.412 -24.980 32.864 1.00 0.00 O ATOM 137 CB TYR A 10 -29.296 -27.267 34.500 1.00 0.00 C ATOM 138 CG TYR A 10 -30.650 -27.625 35.096 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.145 -28.920 35.031 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.414 -26.668 35.758 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.361 -29.253 35.602 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.630 -26.992 36.329 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.098 -28.282 36.249 1.00 0.00 C ATOM 144 OH TYR A 10 -34.312 -28.606 36.818 1.00 0.00 O ATOM 0 H TYR A 10 -27.617 -25.790 33.099 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.440 -28.047 32.485 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.584 -28.046 34.774 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.951 -26.343 34.964 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.571 -29.682 34.525 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.050 -25.654 35.827 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.731 -30.266 35.542 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.210 -26.235 36.836 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.701 -27.809 37.234 1.00 0.00 H new ATOM 154 N GLY A 11 -31.209 -26.657 31.600 1.00 0.00 N ATOM 155 CA GLY A 11 -32.333 -25.877 31.115 1.00 0.00 C ATOM 156 C GLY A 11 -33.560 -26.136 31.953 1.00 0.00 C ATOM 157 O GLY A 11 -34.378 -25.244 32.164 1.00 0.00 O ATOM 0 H GLY A 11 -31.145 -27.600 31.217 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.085 -24.816 31.142 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.536 -26.130 30.075 1.00 0.00 H new ATOM 161 N GLY A 12 -33.664 -27.383 32.428 1.00 0.00 N ATOM 162 CA GLY A 12 -34.722 -27.813 33.339 1.00 0.00 C ATOM 163 C GLY A 12 -36.133 -27.377 32.975 1.00 0.00 C ATOM 164 O GLY A 12 -36.844 -28.071 32.256 1.00 0.00 O ATOM 0 H GLY A 12 -33.008 -28.126 32.186 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -34.703 -28.901 33.398 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.492 -27.436 34.335 1.00 0.00 H new ATOM 168 N GLU A 13 -36.522 -26.228 33.493 1.00 0.00 N ATOM 169 CA GLU A 13 -37.873 -25.708 33.354 1.00 0.00 C ATOM 170 C GLU A 13 -38.224 -25.365 31.915 1.00 0.00 C ATOM 171 O GLU A 13 -39.345 -25.601 31.470 1.00 0.00 O ATOM 172 CB GLU A 13 -38.033 -24.479 34.242 1.00 0.00 C ATOM 173 CG GLU A 13 -37.806 -24.783 35.711 1.00 0.00 C ATOM 174 CD GLU A 13 -38.706 -25.888 36.211 1.00 0.00 C ATOM 175 OE1 GLU A 13 -39.927 -25.668 36.302 1.00 0.00 O ATOM 176 OE2 GLU A 13 -38.193 -26.999 36.471 1.00 0.00 O ATOM 0 H GLU A 13 -35.903 -25.620 34.029 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.563 -26.492 33.666 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -37.330 -23.711 33.922 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -39.034 -24.069 34.111 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -36.765 -25.067 35.865 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.980 -23.881 36.298 1.00 0.00 H new ATOM 183 N ILE A 14 -37.269 -24.811 31.202 1.00 0.00 N ATOM 184 CA ILE A 14 -37.488 -24.388 29.827 1.00 0.00 C ATOM 185 C ILE A 14 -37.770 -25.583 28.918 1.00 0.00 C ATOM 186 O ILE A 14 -38.692 -25.559 28.100 1.00 0.00 O ATOM 187 CB ILE A 14 -36.268 -23.611 29.307 1.00 0.00 C ATOM 188 CG1 ILE A 14 -35.974 -22.445 30.248 1.00 0.00 C ATOM 189 CG2 ILE A 14 -36.517 -23.106 27.887 1.00 0.00 C ATOM 190 CD1 ILE A 14 -34.669 -21.759 29.973 1.00 0.00 C ATOM 0 H ILE A 14 -36.326 -24.640 31.550 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.361 -23.736 29.814 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.405 -24.276 29.279 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -36.780 -21.716 30.171 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -35.972 -22.811 31.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -35.642 -22.559 27.537 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -36.703 -23.953 27.227 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.384 -22.445 27.883 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.531 -20.942 30.682 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -33.853 -22.474 30.079 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -34.674 -21.362 28.958 1.00 0.00 H new ATOM 202 N VAL A 15 -36.985 -26.630 29.078 1.00 0.00 N ATOM 203 CA VAL A 15 -37.145 -27.825 28.273 1.00 0.00 C ATOM 204 C VAL A 15 -37.143 -29.064 29.166 1.00 0.00 C ATOM 205 O VAL A 15 -36.096 -29.646 29.438 1.00 0.00 O ATOM 206 CB VAL A 15 -36.032 -27.947 27.195 1.00 0.00 C ATOM 207 CG1 VAL A 15 -36.251 -29.172 26.324 1.00 0.00 C ATOM 208 CG2 VAL A 15 -35.976 -26.691 26.335 1.00 0.00 C ATOM 0 H VAL A 15 -36.228 -26.677 29.760 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.102 -27.749 27.757 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.078 -28.059 27.710 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -35.459 -29.234 25.578 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.236 -30.068 26.945 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.216 -29.094 25.823 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -35.190 -26.797 25.587 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -36.935 -26.548 25.837 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -35.763 -25.828 26.965 1.00 0.00 H new ATOM 218 N PRO A 16 -38.327 -29.459 29.656 1.00 0.00 N ATOM 219 CA PRO A 16 -38.483 -30.619 30.552 1.00 0.00 C ATOM 220 C PRO A 16 -38.022 -31.932 29.914 1.00 0.00 C ATOM 221 O PRO A 16 -37.642 -32.869 30.614 1.00 0.00 O ATOM 222 CB PRO A 16 -39.993 -30.660 30.825 1.00 0.00 C ATOM 223 CG PRO A 16 -40.467 -29.279 30.534 1.00 0.00 C ATOM 224 CD PRO A 16 -39.616 -28.792 29.404 1.00 0.00 C ATOM 0 HA PRO A 16 -37.872 -30.516 31.449 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.491 -31.392 30.189 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -40.201 -30.941 31.857 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.522 -29.276 30.260 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -40.363 -28.636 31.408 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.032 -29.069 28.435 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.518 -27.706 29.410 1.00 0.00 H new ATOM 232 N THR A 17 -38.060 -31.999 28.590 1.00 0.00 N ATOM 233 CA THR A 17 -37.663 -33.209 27.881 1.00 0.00 C ATOM 234 C THR A 17 -36.136 -33.326 27.781 1.00 0.00 C ATOM 235 O THR A 17 -35.611 -34.334 27.301 1.00 0.00 O ATOM 236 CB THR A 17 -38.302 -33.291 26.466 1.00 0.00 C ATOM 237 OG1 THR A 17 -38.004 -34.557 25.856 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.796 -32.172 25.569 1.00 0.00 C ATOM 0 H THR A 17 -38.360 -31.233 27.987 1.00 0.00 H new ATOM 0 HA THR A 17 -38.036 -34.049 28.467 1.00 0.00 H new ATOM 0 HB THR A 17 -39.380 -33.186 26.584 1.00 0.00 H new ATOM 0 HG1 THR A 17 -37.135 -34.878 26.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.260 -32.255 24.586 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.051 -31.208 26.010 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.714 -32.249 25.467 1.00 0.00 H new ATOM 246 N ARG A 18 -35.435 -32.301 28.233 1.00 0.00 N ATOM 247 CA ARG A 18 -33.983 -32.300 28.237 1.00 0.00 C ATOM 248 C ARG A 18 -33.469 -31.365 29.330 1.00 0.00 C ATOM 249 O ARG A 18 -33.076 -30.229 29.064 1.00 0.00 O ATOM 250 CB ARG A 18 -33.425 -31.898 26.858 1.00 0.00 C ATOM 251 CG ARG A 18 -31.903 -31.916 26.773 1.00 0.00 C ATOM 252 CD ARG A 18 -31.417 -31.533 25.384 1.00 0.00 C ATOM 253 NE ARG A 18 -31.752 -32.545 24.378 1.00 0.00 N ATOM 254 CZ ARG A 18 -31.882 -32.297 23.073 1.00 0.00 C ATOM 255 NH1 ARG A 18 -31.762 -31.057 22.612 1.00 0.00 N ATOM 256 NH2 ARG A 18 -32.141 -33.291 22.231 1.00 0.00 N ATOM 0 H ARG A 18 -35.854 -31.449 28.606 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.634 -33.311 28.448 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -33.828 -32.574 26.104 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -33.780 -30.897 26.612 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.489 -31.226 27.508 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.535 -32.910 27.027 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -31.859 -30.579 25.097 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -30.337 -31.390 25.406 1.00 0.00 H new ATOM 0 HE ARG A 18 -31.895 -33.503 24.697 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -31.570 -30.290 23.256 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -31.862 -30.872 21.614 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -32.241 -34.244 22.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -32.240 -33.102 21.234 1.00 0.00 H new ATOM 270 N PRO A 19 -33.536 -31.822 30.596 1.00 0.00 N ATOM 271 CA PRO A 19 -33.089 -31.038 31.755 1.00 0.00 C ATOM 272 C PRO A 19 -31.649 -30.539 31.624 1.00 0.00 C ATOM 273 O PRO A 19 -31.359 -29.383 31.934 1.00 0.00 O ATOM 274 CB PRO A 19 -33.191 -32.027 32.921 1.00 0.00 C ATOM 275 CG PRO A 19 -34.201 -33.031 32.492 1.00 0.00 C ATOM 276 CD PRO A 19 -34.097 -33.130 30.995 1.00 0.00 C ATOM 0 HA PRO A 19 -33.691 -30.138 31.875 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.229 -32.498 33.124 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -33.500 -31.525 33.838 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -34.010 -33.997 32.959 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -35.203 -32.725 32.792 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.449 -33.953 30.692 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -35.070 -33.305 30.537 1.00 0.00 H new ATOM 284 N TYR A 20 -30.763 -31.400 31.156 1.00 0.00 N ATOM 285 CA TYR A 20 -29.353 -31.054 31.031 1.00 0.00 C ATOM 286 C TYR A 20 -28.872 -31.127 29.596 1.00 0.00 C ATOM 287 O TYR A 20 -29.295 -31.989 28.826 1.00 0.00 O ATOM 288 CB TYR A 20 -28.482 -31.958 31.907 1.00 0.00 C ATOM 289 CG TYR A 20 -28.616 -31.718 33.395 1.00 0.00 C ATOM 290 CD1 TYR A 20 -29.561 -32.397 34.153 1.00 0.00 C ATOM 291 CD2 TYR A 20 -27.779 -30.818 34.043 1.00 0.00 C ATOM 292 CE1 TYR A 20 -29.667 -32.186 35.515 1.00 0.00 C ATOM 293 CE2 TYR A 20 -27.881 -30.599 35.402 1.00 0.00 C ATOM 294 CZ TYR A 20 -28.824 -31.285 36.133 1.00 0.00 C ATOM 295 OH TYR A 20 -28.923 -31.074 37.488 1.00 0.00 O ATOM 0 H TYR A 20 -30.993 -32.347 30.855 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.257 -30.023 31.371 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.735 -32.997 31.696 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.439 -31.820 31.623 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -30.223 -33.101 33.671 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.036 -30.280 33.473 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -30.405 -32.723 36.092 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -27.224 -29.893 35.889 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.257 -30.411 37.765 1.00 0.00 H new ATOM 305 N VAL A 21 -27.991 -30.216 29.254 1.00 0.00 N ATOM 306 CA VAL A 21 -27.368 -30.176 27.953 1.00 0.00 C ATOM 307 C VAL A 21 -25.880 -29.912 28.127 1.00 0.00 C ATOM 308 O VAL A 21 -25.441 -29.408 29.167 1.00 0.00 O ATOM 309 CB VAL A 21 -28.003 -29.089 27.040 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.780 -27.692 27.597 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.493 -29.189 25.606 1.00 0.00 C ATOM 0 H VAL A 21 -27.683 -29.472 29.880 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.525 -31.138 27.465 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.077 -29.275 27.024 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.237 -26.958 26.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.232 -27.618 28.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.710 -27.497 27.672 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -27.960 -28.413 24.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.411 -29.057 25.595 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.743 -30.168 25.198 1.00 0.00 H new ATOM 321 N SER A 22 -25.118 -30.264 27.138 1.00 0.00 N ATOM 322 CA SER A 22 -23.685 -30.076 27.181 1.00 0.00 C ATOM 323 C SER A 22 -23.271 -29.107 26.097 1.00 0.00 C ATOM 324 O SER A 22 -23.575 -29.318 24.920 1.00 0.00 O ATOM 325 CB SER A 22 -22.972 -31.411 27.007 1.00 0.00 C ATOM 326 OG SER A 22 -23.424 -32.353 27.968 1.00 0.00 O ATOM 0 H SER A 22 -25.462 -30.689 26.277 1.00 0.00 H new ATOM 0 HA SER A 22 -23.404 -29.665 28.151 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.150 -31.795 26.003 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.896 -31.270 27.108 1.00 0.00 H new ATOM 0 HG SER A 22 -22.955 -33.204 27.838 1.00 0.00 H new ATOM 332 N ILE A 23 -22.592 -28.048 26.481 1.00 0.00 N ATOM 333 CA ILE A 23 -22.196 -27.035 25.524 1.00 0.00 C ATOM 334 C ILE A 23 -20.702 -26.801 25.582 1.00 0.00 C ATOM 335 O ILE A 23 -20.044 -27.173 26.556 1.00 0.00 O ATOM 336 CB ILE A 23 -22.918 -25.692 25.769 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.496 -25.090 27.108 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.421 -25.892 25.724 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.988 -23.680 27.315 1.00 0.00 C ATOM 0 H ILE A 23 -22.304 -27.865 27.442 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.479 -27.408 24.540 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.635 -24.996 24.980 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.871 -25.719 27.915 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.408 -25.100 27.175 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.920 -24.939 25.898 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.707 -26.278 24.746 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.717 -26.603 26.496 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.651 -23.316 28.286 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.591 -23.037 26.529 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -24.077 -23.666 27.280 1.00 0.00 H new ATOM 351 N LEU A 24 -20.171 -26.202 24.542 1.00 0.00 N ATOM 352 CA LEU A 24 -18.767 -25.886 24.474 1.00 0.00 C ATOM 353 C LEU A 24 -18.586 -24.380 24.530 1.00 0.00 C ATOM 354 O LEU A 24 -19.183 -23.646 23.737 1.00 0.00 O ATOM 355 CB LEU A 24 -18.151 -26.450 23.185 1.00 0.00 C ATOM 356 CG LEU A 24 -17.842 -27.959 23.167 1.00 0.00 C ATOM 357 CD1 LEU A 24 -19.113 -28.794 23.247 1.00 0.00 C ATOM 358 CD2 LEU A 24 -17.058 -28.319 21.923 1.00 0.00 C ATOM 0 H LEU A 24 -20.703 -25.920 23.719 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.257 -26.342 25.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.830 -26.232 22.360 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.225 -25.911 22.987 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.241 -28.184 24.048 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -18.854 -29.853 23.232 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -19.642 -28.563 24.171 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.753 -28.565 22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.846 -29.388 21.923 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -17.642 -28.065 21.039 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.120 -27.764 21.910 1.00 0.00 H new ATOM 370 N ALA A 25 -17.777 -23.920 25.459 1.00 0.00 N ATOM 371 CA ALA A 25 -17.550 -22.500 25.627 1.00 0.00 C ATOM 372 C ALA A 25 -16.141 -22.232 26.113 1.00 0.00 C ATOM 373 O ALA A 25 -15.552 -23.050 26.824 1.00 0.00 O ATOM 374 CB ALA A 25 -18.558 -21.923 26.611 1.00 0.00 C ATOM 0 H ALA A 25 -17.263 -24.511 26.113 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.677 -22.017 24.658 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.379 -20.854 26.731 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.568 -22.082 26.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.450 -22.419 27.575 1.00 0.00 H new ATOM 380 N GLU A 26 -15.596 -21.108 25.711 1.00 0.00 N ATOM 381 CA GLU A 26 -14.295 -20.686 26.166 1.00 0.00 C ATOM 382 C GLU A 26 -14.476 -19.761 27.346 1.00 0.00 C ATOM 383 O GLU A 26 -15.476 -19.056 27.428 1.00 0.00 O ATOM 384 CB GLU A 26 -13.534 -19.968 25.050 1.00 0.00 C ATOM 385 CG GLU A 26 -13.139 -20.861 23.887 1.00 0.00 C ATOM 386 CD GLU A 26 -12.163 -21.939 24.294 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.114 -21.605 24.885 1.00 0.00 O ATOM 388 OE2 GLU A 26 -12.428 -23.128 24.015 1.00 0.00 O ATOM 0 H GLU A 26 -16.042 -20.462 25.060 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.713 -21.560 26.458 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.150 -19.152 24.673 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.634 -19.520 25.470 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.033 -21.323 23.468 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.696 -20.252 23.099 1.00 0.00 H new ATOM 395 N ILE A 27 -13.518 -19.749 28.254 1.00 0.00 N ATOM 396 CA ILE A 27 -13.633 -18.919 29.447 1.00 0.00 C ATOM 397 C ILE A 27 -13.682 -17.434 29.108 1.00 0.00 C ATOM 398 O ILE A 27 -14.264 -16.639 29.840 1.00 0.00 O ATOM 399 CB ILE A 27 -12.516 -19.203 30.482 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.768 -18.387 31.747 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.140 -18.889 29.899 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.028 -18.876 32.954 1.00 0.00 C ATOM 0 H ILE A 27 -12.659 -20.296 28.194 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.582 -19.193 29.908 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.533 -20.263 30.736 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.488 -17.351 31.559 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.836 -18.394 31.963 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.373 -19.097 30.645 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.968 -19.509 29.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.096 -17.837 29.616 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.264 -18.240 33.808 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.325 -19.902 33.172 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.956 -18.842 32.762 1.00 0.00 H new ATOM 414 N ASN A 28 -13.097 -17.074 27.985 1.00 0.00 N ATOM 415 CA ASN A 28 -13.076 -15.689 27.550 1.00 0.00 C ATOM 416 C ASN A 28 -14.421 -15.275 26.954 1.00 0.00 C ATOM 417 O ASN A 28 -14.637 -14.099 26.658 1.00 0.00 O ATOM 418 CB ASN A 28 -11.962 -15.460 26.521 1.00 0.00 C ATOM 419 CG ASN A 28 -12.115 -16.326 25.279 1.00 0.00 C ATOM 420 OD1 ASN A 28 -12.822 -15.970 24.344 1.00 0.00 O ATOM 421 ND2 ASN A 28 -11.434 -17.456 25.256 1.00 0.00 N ATOM 0 H ASN A 28 -12.627 -17.722 27.353 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.882 -15.073 28.428 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.956 -14.410 26.227 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.998 -15.667 26.985 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.486 -18.066 24.440 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.856 -17.719 26.054 1.00 0.00 H new ATOM 428 N GLU A 29 -15.318 -16.238 26.778 1.00 0.00 N ATOM 429 CA GLU A 29 -16.620 -15.951 26.210 1.00 0.00 C ATOM 430 C GLU A 29 -17.585 -15.481 27.281 1.00 0.00 C ATOM 431 O GLU A 29 -17.591 -15.995 28.404 1.00 0.00 O ATOM 432 CB GLU A 29 -17.189 -17.165 25.467 1.00 0.00 C ATOM 433 CG GLU A 29 -16.437 -17.512 24.193 1.00 0.00 C ATOM 434 CD GLU A 29 -17.069 -18.658 23.432 1.00 0.00 C ATOM 435 OE1 GLU A 29 -16.757 -19.822 23.728 1.00 0.00 O ATOM 436 OE2 GLU A 29 -17.872 -18.399 22.514 1.00 0.00 O ATOM 0 H GLU A 29 -15.165 -17.217 27.020 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.491 -15.147 25.485 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.173 -18.027 26.133 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.233 -16.972 25.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.397 -16.633 23.550 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.408 -17.771 24.443 1.00 0.00 H new ATOM 443 N ASN A 30 -18.390 -14.501 26.931 1.00 0.00 N ATOM 444 CA ASN A 30 -19.359 -13.942 27.858 1.00 0.00 C ATOM 445 C ASN A 30 -20.572 -14.843 27.968 1.00 0.00 C ATOM 446 O ASN A 30 -20.706 -15.827 27.227 1.00 0.00 O ATOM 447 CB ASN A 30 -19.800 -12.530 27.428 1.00 0.00 C ATOM 448 CG ASN A 30 -18.672 -11.510 27.435 1.00 0.00 C ATOM 449 OD1 ASN A 30 -17.492 -11.858 27.347 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.027 -10.243 27.523 1.00 0.00 N ATOM 0 H ASN A 30 -18.395 -14.071 26.006 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.875 -13.869 28.832 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.226 -12.581 26.426 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.592 -12.188 28.094 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.315 -9.512 27.520 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -20.013 -9.994 27.594 1.00 0.00 H new ATOM 457 N ALA A 31 -21.460 -14.498 28.876 1.00 0.00 N ATOM 458 CA ALA A 31 -22.658 -15.269 29.122 1.00 0.00 C ATOM 459 C ALA A 31 -23.551 -15.341 27.890 1.00 0.00 C ATOM 460 O ALA A 31 -24.282 -16.289 27.731 1.00 0.00 O ATOM 461 CB ALA A 31 -23.423 -14.692 30.297 1.00 0.00 C ATOM 0 H ALA A 31 -21.370 -13.671 29.466 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.350 -16.287 29.362 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.323 -15.282 30.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.795 -14.717 31.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.702 -13.661 30.079 1.00 0.00 H new ATOM 467 N ASP A 32 -23.484 -14.338 27.020 1.00 0.00 N ATOM 468 CA ASP A 32 -24.307 -14.327 25.814 1.00 0.00 C ATOM 469 C ASP A 32 -23.942 -15.502 24.908 1.00 0.00 C ATOM 470 O ASP A 32 -24.814 -16.118 24.293 1.00 0.00 O ATOM 471 CB ASP A 32 -24.155 -12.998 25.048 1.00 0.00 C ATOM 472 CG ASP A 32 -22.882 -12.913 24.222 1.00 0.00 C ATOM 473 OD1 ASP A 32 -21.823 -12.564 24.781 1.00 0.00 O ATOM 474 OD2 ASP A 32 -22.943 -13.204 23.006 1.00 0.00 O ATOM 0 H ASP A 32 -22.873 -13.528 27.125 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.349 -14.426 26.119 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -25.014 -12.867 24.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -24.171 -12.174 25.761 1.00 0.00 H new ATOM 479 N ARG A 33 -22.653 -15.805 24.834 1.00 0.00 N ATOM 480 CA ARG A 33 -22.166 -16.923 24.045 1.00 0.00 C ATOM 481 C ARG A 33 -22.567 -18.244 24.667 1.00 0.00 C ATOM 482 O ARG A 33 -23.017 -19.148 23.979 1.00 0.00 O ATOM 483 CB ARG A 33 -20.654 -16.841 23.890 1.00 0.00 C ATOM 484 CG ARG A 33 -20.202 -15.775 22.912 1.00 0.00 C ATOM 485 CD ARG A 33 -19.925 -16.380 21.543 1.00 0.00 C ATOM 486 NE ARG A 33 -21.080 -17.107 20.997 1.00 0.00 N ATOM 487 CZ ARG A 33 -21.088 -18.427 20.741 1.00 0.00 C ATOM 488 NH1 ARG A 33 -20.048 -19.184 21.104 1.00 0.00 N ATOM 489 NH2 ARG A 33 -22.145 -18.990 20.159 1.00 0.00 N ATOM 0 H ARG A 33 -21.921 -15.285 25.317 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.622 -16.866 23.057 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.207 -16.642 24.864 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.278 -17.809 23.559 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -20.969 -15.005 22.826 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.302 -15.288 23.288 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.641 -15.587 20.851 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.076 -17.059 21.616 1.00 0.00 H new ATOM 0 HE ARG A 33 -21.929 -16.577 20.800 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.249 -18.760 21.575 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.054 -20.185 20.910 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.952 -18.420 19.906 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.148 -19.992 19.966 1.00 0.00 H new ATOM 503 N ILE A 34 -22.409 -18.335 25.973 1.00 0.00 N ATOM 504 CA ILE A 34 -22.770 -19.530 26.713 1.00 0.00 C ATOM 505 C ILE A 34 -24.284 -19.766 26.640 1.00 0.00 C ATOM 506 O ILE A 34 -24.748 -20.885 26.392 1.00 0.00 O ATOM 507 CB ILE A 34 -22.322 -19.389 28.182 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.795 -19.372 28.257 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.884 -20.517 29.036 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.256 -18.974 29.611 1.00 0.00 C ATOM 0 H ILE A 34 -22.028 -17.585 26.550 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.265 -20.388 26.268 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.710 -18.449 28.574 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.417 -20.362 28.002 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.411 -18.681 27.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.552 -20.393 30.067 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -23.973 -20.493 29.000 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.529 -21.474 28.654 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.166 -18.985 29.586 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.603 -17.971 29.860 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.609 -19.678 30.364 1.00 0.00 H new ATOM 522 N LEU A 35 -25.035 -18.694 26.833 1.00 0.00 N ATOM 523 CA LEU A 35 -26.484 -18.722 26.757 1.00 0.00 C ATOM 524 C LEU A 35 -26.915 -19.103 25.357 1.00 0.00 C ATOM 525 O LEU A 35 -27.786 -19.941 25.174 1.00 0.00 O ATOM 526 CB LEU A 35 -27.039 -17.332 27.129 1.00 0.00 C ATOM 527 CG LEU A 35 -28.558 -17.138 27.064 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.278 -18.113 27.982 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.916 -15.707 27.435 1.00 0.00 C ATOM 0 H LEU A 35 -24.652 -17.774 27.048 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.875 -19.462 27.455 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.713 -17.100 28.143 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.577 -16.597 26.469 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.882 -17.337 26.042 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.354 -17.950 27.914 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.046 -19.135 27.682 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.952 -17.954 29.010 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -29.997 -15.578 27.386 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.571 -15.496 28.447 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.437 -15.020 26.738 1.00 0.00 H new ATOM 541 N GLY A 36 -26.268 -18.499 24.374 1.00 0.00 N ATOM 542 CA GLY A 36 -26.586 -18.768 22.997 1.00 0.00 C ATOM 543 C GLY A 36 -26.252 -20.177 22.580 1.00 0.00 C ATOM 544 O GLY A 36 -26.999 -20.784 21.836 1.00 0.00 O ATOM 0 H GLY A 36 -25.520 -17.820 24.513 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.649 -18.589 22.834 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.043 -18.068 22.361 1.00 0.00 H new ATOM 548 N ALA A 37 -25.132 -20.693 23.062 1.00 0.00 N ATOM 549 CA ALA A 37 -24.703 -22.047 22.727 1.00 0.00 C ATOM 550 C ALA A 37 -25.738 -23.073 23.167 1.00 0.00 C ATOM 551 O ALA A 37 -26.168 -23.909 22.380 1.00 0.00 O ATOM 552 CB ALA A 37 -23.358 -22.351 23.368 1.00 0.00 C ATOM 0 H ALA A 37 -24.500 -20.195 23.689 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.600 -22.109 21.644 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.052 -23.365 23.109 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.613 -21.643 23.004 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.443 -22.264 24.451 1.00 0.00 H new ATOM 558 N ALA A 38 -26.147 -22.989 24.422 1.00 0.00 N ATOM 559 CA ALA A 38 -27.132 -23.911 24.966 1.00 0.00 C ATOM 560 C ALA A 38 -28.494 -23.688 24.331 1.00 0.00 C ATOM 561 O ALA A 38 -29.201 -24.635 23.997 1.00 0.00 O ATOM 562 CB ALA A 38 -27.220 -23.742 26.466 1.00 0.00 C ATOM 0 H ALA A 38 -25.812 -22.290 25.085 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.815 -24.929 24.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -27.959 -24.435 26.867 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.248 -23.949 26.913 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.516 -22.720 26.700 1.00 0.00 H new ATOM 568 N LEU A 39 -28.833 -22.429 24.145 1.00 0.00 N ATOM 569 CA LEU A 39 -30.110 -22.033 23.577 1.00 0.00 C ATOM 570 C LEU A 39 -30.230 -22.551 22.140 1.00 0.00 C ATOM 571 O LEU A 39 -31.302 -22.992 21.705 1.00 0.00 O ATOM 572 CB LEU A 39 -30.216 -20.512 23.611 1.00 0.00 C ATOM 573 CG LEU A 39 -31.556 -19.917 23.243 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.616 -20.333 24.250 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.449 -18.413 23.188 1.00 0.00 C ATOM 0 H LEU A 39 -28.227 -21.644 24.385 1.00 0.00 H new ATOM 0 HA LEU A 39 -30.924 -22.463 24.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -29.958 -20.175 24.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.465 -20.103 22.935 1.00 0.00 H new ATOM 0 HG LEU A 39 -31.850 -20.289 22.261 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.575 -19.896 23.970 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.702 -21.420 24.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.333 -19.982 25.242 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.417 -17.989 22.922 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.142 -18.034 24.163 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -30.710 -18.128 22.439 1.00 0.00 H new ATOM 587 N GLU A 40 -29.118 -22.489 21.419 1.00 0.00 N ATOM 588 CA GLU A 40 -29.029 -22.961 20.042 1.00 0.00 C ATOM 589 C GLU A 40 -29.313 -24.455 19.960 1.00 0.00 C ATOM 590 O GLU A 40 -29.936 -24.921 19.007 1.00 0.00 O ATOM 591 CB GLU A 40 -27.633 -22.615 19.467 1.00 0.00 C ATOM 592 CG GLU A 40 -27.306 -23.214 18.096 1.00 0.00 C ATOM 593 CD GLU A 40 -26.624 -24.576 18.174 1.00 0.00 C ATOM 594 OE1 GLU A 40 -25.473 -24.648 18.662 1.00 0.00 O ATOM 595 OE2 GLU A 40 -27.221 -25.573 17.719 1.00 0.00 O ATOM 0 H GLU A 40 -28.243 -22.106 21.777 1.00 0.00 H new ATOM 0 HA GLU A 40 -29.786 -22.458 19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.549 -21.530 19.397 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -26.876 -22.948 20.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.227 -23.310 17.521 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -26.661 -22.524 17.551 1.00 0.00 H new ATOM 602 N LYS A 41 -28.887 -25.200 20.980 1.00 0.00 N ATOM 603 CA LYS A 41 -29.088 -26.644 21.003 1.00 0.00 C ATOM 604 C LYS A 41 -30.577 -26.972 20.990 1.00 0.00 C ATOM 605 O LYS A 41 -31.007 -27.929 20.345 1.00 0.00 O ATOM 606 CB LYS A 41 -28.418 -27.288 22.228 1.00 0.00 C ATOM 607 CG LYS A 41 -26.955 -26.902 22.406 1.00 0.00 C ATOM 608 CD LYS A 41 -26.181 -27.035 21.108 1.00 0.00 C ATOM 609 CE LYS A 41 -24.742 -26.579 21.271 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.037 -26.521 19.971 1.00 0.00 N ATOM 0 H LYS A 41 -28.403 -24.827 21.797 1.00 0.00 H new ATOM 0 HA LYS A 41 -28.621 -27.057 20.109 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -28.970 -27.003 23.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -28.489 -28.372 22.141 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -26.890 -25.875 22.765 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.501 -27.536 23.168 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -26.200 -28.073 20.776 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -26.666 -26.443 20.331 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.723 -25.595 21.740 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.217 -27.261 21.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.010 -26.509 20.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.288 -27.355 19.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.317 -25.658 19.462 1.00 0.00 H new ATOM 624 N TYR A 42 -31.362 -26.170 21.700 1.00 0.00 N ATOM 625 CA TYR A 42 -32.803 -26.377 21.756 1.00 0.00 C ATOM 626 C TYR A 42 -33.494 -25.691 20.573 1.00 0.00 C ATOM 627 O TYR A 42 -34.700 -25.828 20.383 1.00 0.00 O ATOM 628 CB TYR A 42 -33.382 -25.833 23.065 1.00 0.00 C ATOM 629 CG TYR A 42 -32.754 -26.405 24.317 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.100 -27.664 24.782 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.811 -25.681 25.032 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.525 -28.182 25.926 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.234 -26.192 26.176 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.595 -27.443 26.619 1.00 0.00 C ATOM 635 OH TYR A 42 -31.025 -27.955 27.759 1.00 0.00 O ATOM 0 H TYR A 42 -31.026 -25.374 22.242 1.00 0.00 H new ATOM 0 HA TYR A 42 -32.985 -27.451 21.706 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.263 -24.750 23.077 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.453 -26.036 23.086 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -33.830 -28.249 24.242 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.523 -24.699 24.687 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -32.805 -29.165 26.275 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.503 -25.613 26.721 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.630 -28.614 28.160 1.00 0.00 H new ATOM 645 N GLY A 43 -32.717 -24.946 19.788 1.00 0.00 N ATOM 646 CA GLY A 43 -33.266 -24.248 18.635 1.00 0.00 C ATOM 647 C GLY A 43 -34.096 -23.041 19.031 1.00 0.00 C ATOM 648 O GLY A 43 -34.910 -22.548 18.248 1.00 0.00 O ATOM 0 H GLY A 43 -31.716 -24.813 19.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.451 -23.928 17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -33.883 -24.936 18.057 1.00 0.00 H new ATOM 652 N LEU A 44 -33.878 -22.552 20.238 1.00 0.00 N ATOM 653 CA LEU A 44 -34.645 -21.432 20.768 1.00 0.00 C ATOM 654 C LEU A 44 -33.822 -20.150 20.735 1.00 0.00 C ATOM 655 O LEU A 44 -34.101 -19.206 21.470 1.00 0.00 O ATOM 656 CB LEU A 44 -35.089 -21.735 22.203 1.00 0.00 C ATOM 657 CG LEU A 44 -35.950 -22.989 22.387 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.289 -23.192 23.853 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.218 -22.897 21.553 1.00 0.00 C ATOM 0 H LEU A 44 -33.170 -22.914 20.877 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.526 -21.290 20.143 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.199 -21.835 22.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.646 -20.877 22.579 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.377 -23.851 22.044 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -36.901 -24.087 23.964 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.369 -23.307 24.427 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -36.841 -22.327 24.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -37.815 -23.797 21.698 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -37.795 -22.025 21.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -36.955 -22.802 20.500 1.00 0.00 H new ATOM 671 N GLU A 45 -32.825 -20.119 19.850 1.00 0.00 N ATOM 672 CA GLU A 45 -31.894 -18.989 19.730 1.00 0.00 C ATOM 673 C GLU A 45 -32.613 -17.638 19.534 1.00 0.00 C ATOM 674 O GLU A 45 -32.081 -16.587 19.897 1.00 0.00 O ATOM 675 CB GLU A 45 -30.930 -19.233 18.563 1.00 0.00 C ATOM 676 CG GLU A 45 -31.628 -19.367 17.215 1.00 0.00 C ATOM 677 CD GLU A 45 -30.672 -19.369 16.042 1.00 0.00 C ATOM 678 OE1 GLU A 45 -29.628 -20.044 16.112 1.00 0.00 O ATOM 679 OE2 GLU A 45 -30.962 -18.685 15.037 1.00 0.00 O ATOM 0 H GLU A 45 -32.637 -20.877 19.193 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.345 -18.928 20.670 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.217 -18.410 18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -30.358 -20.140 18.759 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -32.207 -20.290 17.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -32.335 -18.546 17.097 1.00 0.00 H new ATOM 686 N HIS A 46 -33.820 -17.679 18.988 1.00 0.00 N ATOM 687 CA HIS A 46 -34.581 -16.463 18.698 1.00 0.00 C ATOM 688 C HIS A 46 -35.240 -15.887 19.964 1.00 0.00 C ATOM 689 O HIS A 46 -35.685 -14.740 19.973 1.00 0.00 O ATOM 690 CB HIS A 46 -35.643 -16.763 17.624 1.00 0.00 C ATOM 691 CG HIS A 46 -36.367 -15.553 17.105 1.00 0.00 C ATOM 692 ND1 HIS A 46 -35.834 -14.701 16.161 1.00 0.00 N ATOM 693 CD2 HIS A 46 -37.590 -15.056 17.403 1.00 0.00 C ATOM 694 CE1 HIS A 46 -36.700 -13.736 15.903 1.00 0.00 C ATOM 695 NE2 HIS A 46 -37.769 -13.930 16.641 1.00 0.00 N ATOM 0 H HIS A 46 -34.299 -18.543 18.734 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.889 -15.709 18.324 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -35.162 -17.269 16.787 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -36.374 -17.457 18.038 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -38.294 -15.469 18.110 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -36.553 -12.926 15.204 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -38.599 -13.338 16.646 1.00 0.00 H new ATOM 703 N SER A 47 -35.273 -16.670 21.028 1.00 0.00 N ATOM 704 CA SER A 47 -35.927 -16.254 22.266 1.00 0.00 C ATOM 705 C SER A 47 -34.914 -15.902 23.365 1.00 0.00 C ATOM 706 O SER A 47 -35.257 -15.883 24.537 1.00 0.00 O ATOM 707 CB SER A 47 -36.853 -17.368 22.751 1.00 0.00 C ATOM 708 OG SER A 47 -37.821 -17.688 21.764 1.00 0.00 O ATOM 0 H SER A 47 -34.855 -17.600 21.064 1.00 0.00 H new ATOM 0 HA SER A 47 -36.502 -15.353 22.053 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.267 -18.255 22.992 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.353 -17.057 23.669 1.00 0.00 H new ATOM 0 HG SER A 47 -38.402 -18.405 22.095 1.00 0.00 H new ATOM 714 N LYS A 48 -33.689 -15.564 22.971 1.00 0.00 N ATOM 715 CA LYS A 48 -32.612 -15.294 23.939 1.00 0.00 C ATOM 716 C LYS A 48 -32.946 -14.130 24.870 1.00 0.00 C ATOM 717 O LYS A 48 -32.554 -14.123 26.030 1.00 0.00 O ATOM 718 CB LYS A 48 -31.298 -15.001 23.226 1.00 0.00 C ATOM 719 CG LYS A 48 -30.092 -15.143 24.140 1.00 0.00 C ATOM 720 CD LYS A 48 -28.788 -14.871 23.416 1.00 0.00 C ATOM 721 CE LYS A 48 -28.514 -15.892 22.327 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.269 -15.572 21.582 1.00 0.00 N ATOM 0 H LYS A 48 -33.411 -15.469 21.994 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.510 -16.196 24.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.189 -15.679 22.379 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.326 -13.989 22.822 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.191 -14.453 24.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.071 -16.150 24.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.819 -13.874 22.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.967 -14.878 24.133 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.429 -16.884 22.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.356 -15.923 21.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.111 -16.289 20.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.360 -14.635 21.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.463 -15.567 22.239 1.00 0.00 H new ATOM 736 N ASP A 49 -33.678 -13.161 24.352 1.00 0.00 N ATOM 737 CA ASP A 49 -34.035 -11.948 25.102 1.00 0.00 C ATOM 738 C ASP A 49 -34.813 -12.277 26.383 1.00 0.00 C ATOM 739 O ASP A 49 -34.741 -11.548 27.373 1.00 0.00 O ATOM 740 CB ASP A 49 -34.869 -11.021 24.208 1.00 0.00 C ATOM 741 CG ASP A 49 -35.336 -9.765 24.920 1.00 0.00 C ATOM 742 OD1 ASP A 49 -34.539 -8.826 25.053 1.00 0.00 O ATOM 743 OD2 ASP A 49 -36.516 -9.707 25.332 1.00 0.00 O ATOM 0 H ASP A 49 -34.047 -13.183 23.401 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.111 -11.450 25.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -34.278 -10.739 23.337 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -35.738 -11.567 23.840 1.00 0.00 H new ATOM 748 N ASP A 50 -35.537 -13.377 26.351 1.00 0.00 N ATOM 749 CA ASP A 50 -36.388 -13.778 27.466 1.00 0.00 C ATOM 750 C ASP A 50 -35.615 -14.583 28.532 1.00 0.00 C ATOM 751 O ASP A 50 -36.149 -14.868 29.601 1.00 0.00 O ATOM 752 CB ASP A 50 -37.565 -14.612 26.926 1.00 0.00 C ATOM 753 CG ASP A 50 -38.641 -14.898 27.963 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.453 -13.991 28.248 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.706 -16.038 28.468 1.00 0.00 O ATOM 0 H ASP A 50 -35.556 -14.019 25.559 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.755 -12.874 27.952 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.015 -14.086 26.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.182 -15.558 26.543 1.00 0.00 H new ATOM 760 N PHE A 51 -34.350 -14.919 28.268 1.00 0.00 N ATOM 761 CA PHE A 51 -33.617 -15.780 29.202 1.00 0.00 C ATOM 762 C PHE A 51 -32.274 -15.192 29.634 1.00 0.00 C ATOM 763 O PHE A 51 -31.667 -14.391 28.928 1.00 0.00 O ATOM 764 CB PHE A 51 -33.366 -17.151 28.582 1.00 0.00 C ATOM 765 CG PHE A 51 -34.596 -17.851 28.083 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.445 -18.504 28.955 1.00 0.00 C ATOM 767 CD2 PHE A 51 -34.900 -17.852 26.735 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.579 -19.147 28.492 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.029 -18.493 26.264 1.00 0.00 C ATOM 770 CZ PHE A 51 -36.870 -19.140 27.144 1.00 0.00 C ATOM 0 H PHE A 51 -33.826 -14.621 27.445 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.249 -15.865 30.086 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.668 -17.037 27.752 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -32.879 -17.785 29.323 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.221 -18.513 30.011 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.246 -17.345 26.041 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.235 -19.653 29.185 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.253 -18.487 25.207 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.755 -19.640 26.779 1.00 0.00 H new ATOM 780 N ILE A 52 -31.839 -15.604 30.821 1.00 0.00 N ATOM 781 CA ILE A 52 -30.534 -15.246 31.373 1.00 0.00 C ATOM 782 C ILE A 52 -29.914 -16.490 31.998 1.00 0.00 C ATOM 783 O ILE A 52 -30.576 -17.530 32.107 1.00 0.00 O ATOM 784 CB ILE A 52 -30.613 -14.133 32.457 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.477 -14.589 33.639 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.141 -12.839 31.860 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.454 -13.641 34.817 1.00 0.00 C ATOM 0 H ILE A 52 -32.389 -16.204 31.436 1.00 0.00 H new ATOM 0 HA ILE A 52 -29.930 -14.857 30.553 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.606 -13.944 32.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.506 -14.707 33.300 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.136 -15.570 33.968 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.188 -12.074 32.635 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.475 -12.508 31.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.138 -13.006 31.454 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.089 -14.033 35.612 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.433 -13.542 35.184 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.824 -12.664 34.505 1.00 0.00 H new ATOM 799 N LEU A 53 -28.671 -16.396 32.414 1.00 0.00 N ATOM 800 CA LEU A 53 -28.001 -17.530 33.014 1.00 0.00 C ATOM 801 C LEU A 53 -27.971 -17.390 34.518 1.00 0.00 C ATOM 802 O LEU A 53 -27.803 -16.303 35.039 1.00 0.00 O ATOM 803 CB LEU A 53 -26.579 -17.662 32.473 1.00 0.00 C ATOM 804 CG LEU A 53 -26.466 -17.910 30.972 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.014 -17.944 30.547 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.148 -19.211 30.604 1.00 0.00 C ATOM 0 H LEU A 53 -28.105 -15.550 32.349 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.558 -18.431 32.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.031 -16.751 32.715 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.085 -18.480 32.997 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.961 -17.092 30.449 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.953 -18.122 29.473 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.543 -16.990 30.784 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.498 -18.745 31.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.060 -19.377 29.530 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.674 -20.034 31.138 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.202 -19.160 30.878 1.00 0.00 H new ATOM 818 N VAL A 54 -28.181 -18.480 35.209 1.00 0.00 N ATOM 819 CA VAL A 54 -28.122 -18.485 36.654 1.00 0.00 C ATOM 820 C VAL A 54 -27.191 -19.585 37.138 1.00 0.00 C ATOM 821 O VAL A 54 -27.301 -20.737 36.722 1.00 0.00 O ATOM 822 CB VAL A 54 -29.526 -18.645 37.305 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.356 -17.384 37.109 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.255 -19.848 36.731 1.00 0.00 C ATOM 0 H VAL A 54 -28.397 -19.386 34.793 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.732 -17.515 36.963 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.384 -18.806 38.374 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.334 -17.517 37.572 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.847 -16.538 37.572 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.482 -17.193 36.043 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.234 -19.939 37.202 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.380 -19.719 35.656 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.675 -20.751 36.923 1.00 0.00 H new ATOM 834 N GLU A 55 -26.266 -19.224 37.996 1.00 0.00 N ATOM 835 CA GLU A 55 -25.311 -20.180 38.524 1.00 0.00 C ATOM 836 C GLU A 55 -25.876 -20.849 39.762 1.00 0.00 C ATOM 837 O GLU A 55 -26.306 -20.168 40.705 1.00 0.00 O ATOM 838 CB GLU A 55 -23.970 -19.481 38.815 1.00 0.00 C ATOM 839 CG GLU A 55 -22.871 -20.385 39.360 1.00 0.00 C ATOM 840 CD GLU A 55 -23.002 -20.629 40.856 1.00 0.00 C ATOM 841 OE1 GLU A 55 -22.813 -19.660 41.626 1.00 0.00 O ATOM 842 OE2 GLU A 55 -23.304 -21.767 41.259 1.00 0.00 O ATOM 0 H GLU A 55 -26.151 -18.273 38.346 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.126 -20.957 37.782 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.614 -19.017 37.895 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.145 -18.678 39.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.899 -21.340 38.836 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.900 -19.936 39.153 1.00 0.00 H new ATOM 849 N VAL A 56 -25.922 -22.174 39.735 1.00 0.00 N ATOM 850 CA VAL A 56 -26.439 -22.954 40.844 1.00 0.00 C ATOM 851 C VAL A 56 -25.537 -24.171 41.096 1.00 0.00 C ATOM 852 O VAL A 56 -25.107 -24.826 40.158 1.00 0.00 O ATOM 853 CB VAL A 56 -27.880 -23.470 40.555 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.457 -24.179 41.772 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.796 -22.346 40.109 1.00 0.00 C ATOM 0 H VAL A 56 -25.602 -22.734 38.945 1.00 0.00 H new ATOM 0 HA VAL A 56 -26.460 -22.302 41.717 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.812 -24.187 39.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.464 -24.530 41.545 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.826 -25.029 42.031 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -28.495 -23.486 42.613 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.793 -22.743 39.916 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -28.852 -21.590 40.892 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.403 -21.896 39.198 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.676 -19.270 40.991 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.308 -19.099 41.422 1.00 0.00 C ATOM 1114 C GLY A 73 -28.852 -17.672 41.341 1.00 0.00 C ATOM 1115 O GLY A 73 -29.618 -16.752 41.620 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.208 -19.451 42.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.657 -19.720 40.807 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.607 -17.486 40.962 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.037 -16.167 40.833 1.00 0.00 C ATOM 1121 C ARG A 74 -27.341 -15.603 39.447 1.00 0.00 C ATOM 1122 O ARG A 74 -26.961 -16.200 38.442 1.00 0.00 O ATOM 1123 CB ARG A 74 -25.528 -16.244 41.097 1.00 0.00 C ATOM 1124 CG ARG A 74 -24.741 -15.005 40.716 1.00 0.00 C ATOM 1125 CD ARG A 74 -23.370 -15.004 41.382 1.00 0.00 C ATOM 1126 NE ARG A 74 -22.754 -16.342 41.415 1.00 0.00 N ATOM 1127 CZ ARG A 74 -21.462 -16.569 41.651 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -20.619 -15.550 41.774 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -21.016 -17.813 41.752 1.00 0.00 N ATOM 0 H ARG A 74 -26.964 -18.244 40.735 1.00 0.00 H new ATOM 0 HA ARG A 74 -27.479 -15.492 41.566 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -25.371 -16.443 42.157 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -25.123 -17.095 40.549 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -24.624 -14.963 39.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.294 -14.113 41.012 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.712 -14.318 40.848 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -23.465 -14.627 42.400 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.356 -17.148 41.246 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.960 -14.593 41.688 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.630 -15.725 41.955 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.661 -18.596 41.649 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.027 -17.987 41.933 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.067 -14.460 39.378 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.440 -13.832 38.105 1.00 0.00 C ATOM 1145 C PRO A 75 -27.228 -13.360 37.317 1.00 0.00 C ATOM 1146 O PRO A 75 -26.496 -12.467 37.747 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.308 -12.630 38.517 1.00 0.00 C ATOM 1148 CG PRO A 75 -29.681 -12.883 39.939 1.00 0.00 C ATOM 1149 CD PRO A 75 -28.573 -13.701 40.529 1.00 0.00 C ATOM 0 HA PRO A 75 -28.956 -14.535 37.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -28.758 -11.694 38.415 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.193 -12.550 37.886 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -29.802 -11.945 40.481 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -30.631 -13.413 40.003 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -27.799 -13.072 40.969 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -28.935 -14.360 41.318 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.019 -13.978 36.177 1.00 0.00 N ATOM 1158 CA ILE A 76 -25.910 -13.665 35.312 1.00 0.00 C ATOM 1159 C ILE A 76 -26.407 -13.248 33.921 1.00 0.00 C ATOM 1160 O ILE A 76 -26.791 -14.095 33.104 1.00 0.00 O ATOM 1161 CB ILE A 76 -24.978 -14.887 35.187 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.520 -15.321 36.581 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.783 -14.565 34.301 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.019 -16.741 36.647 1.00 0.00 C ATOM 0 H ILE A 76 -27.622 -14.720 35.822 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.358 -12.832 35.749 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.524 -15.707 34.720 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -23.728 -14.651 36.917 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.351 -15.207 37.277 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.139 -15.441 34.227 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.132 -14.286 33.307 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.221 -13.737 34.734 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.713 -16.972 37.667 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.814 -17.422 36.343 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.167 -16.858 35.978 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.457 -11.937 33.660 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.848 -11.399 32.349 1.00 0.00 C ATOM 1178 C PRO A 77 -25.843 -11.786 31.251 1.00 0.00 C ATOM 1179 O PRO A 77 -24.688 -12.095 31.541 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.837 -9.878 32.576 1.00 0.00 C ATOM 1181 CG PRO A 77 -26.954 -9.727 34.049 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.187 -10.871 34.624 1.00 0.00 C ATOM 0 HA PRO A 77 -27.810 -11.785 32.011 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -25.918 -9.426 32.201 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.665 -9.392 32.059 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -26.545 -8.773 34.380 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -27.997 -9.754 34.366 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.122 -10.651 34.700 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.531 -11.130 35.625 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.273 -11.742 29.973 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.439 -12.149 28.823 1.00 0.00 C ATOM 1192 C PRO A 78 -24.102 -11.403 28.742 1.00 0.00 C ATOM 1193 O PRO A 78 -23.101 -11.951 28.292 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.296 -11.795 27.609 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.695 -11.740 28.116 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.613 -11.298 29.547 1.00 0.00 C ATOM 0 HA PRO A 78 -25.170 -13.203 28.897 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.995 -10.839 27.181 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.192 -12.543 26.823 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.293 -11.043 27.529 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.174 -12.716 28.038 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.725 -10.218 29.640 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.397 -11.753 30.152 1.00 0.00 H new ATOM 1204 N THR A 79 -24.093 -10.165 29.169 1.00 0.00 N ATOM 1205 CA THR A 79 -22.890 -9.347 29.101 1.00 0.00 C ATOM 1206 C THR A 79 -21.863 -9.701 30.187 1.00 0.00 C ATOM 1207 O THR A 79 -20.711 -9.274 30.122 1.00 0.00 O ATOM 1208 CB THR A 79 -23.239 -7.852 29.150 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.295 -7.634 30.103 1.00 0.00 O ATOM 1210 CG2 THR A 79 -23.675 -7.361 27.780 1.00 0.00 C ATOM 0 H THR A 79 -24.904 -9.693 29.570 1.00 0.00 H new ATOM 0 HA THR A 79 -22.421 -9.568 28.142 1.00 0.00 H new ATOM 0 HB THR A 79 -22.352 -7.295 29.453 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.515 -6.680 30.134 1.00 0.00 H new ATOM 0 HG21 THR A 79 -23.918 -6.300 27.834 1.00 0.00 H new ATOM 0 HG22 THR A 79 -22.866 -7.512 27.065 1.00 0.00 H new ATOM 0 HG23 THR A 79 -24.554 -7.919 27.456 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.279 -10.481 31.169 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.388 -10.904 32.244 1.00 0.00 C ATOM 1220 C GLU A 80 -20.512 -12.081 31.775 1.00 0.00 C ATOM 1221 O GLU A 80 -20.877 -12.797 30.851 1.00 0.00 O ATOM 1222 CB GLU A 80 -22.222 -11.298 33.480 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.410 -11.826 34.656 1.00 0.00 C ATOM 1224 CD GLU A 80 -20.429 -10.815 35.191 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -19.317 -10.719 34.644 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -20.760 -10.117 36.169 1.00 0.00 O ATOM 0 H GLU A 80 -23.231 -10.837 31.247 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.729 -10.079 32.515 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.790 -10.428 33.810 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.946 -12.058 33.186 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.089 -12.125 35.455 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.870 -12.720 34.346 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.354 -12.253 32.400 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.456 -13.360 32.080 1.00 0.00 C ATOM 1235 C CYS A 81 -18.368 -14.308 33.290 1.00 0.00 C ATOM 1236 O CYS A 81 -17.445 -14.208 34.103 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.062 -12.834 31.722 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.052 -11.576 30.423 1.00 0.00 S ATOM 0 H CYS A 81 -19.011 -11.636 33.137 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.849 -13.901 31.219 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.602 -12.418 32.618 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.441 -13.672 31.405 1.00 0.00 H new ATOM 0 HG CYS A 81 -17.089 -12.154 29.259 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.337 -15.234 33.429 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.437 -16.115 34.602 1.00 0.00 C ATOM 1246 C PRO A 82 -18.277 -17.097 34.754 1.00 0.00 C ATOM 1247 O PRO A 82 -17.951 -17.500 35.863 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.743 -16.880 34.370 1.00 0.00 C ATOM 1249 CG PRO A 82 -20.963 -16.822 32.898 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.405 -15.502 32.448 1.00 0.00 C ATOM 0 HA PRO A 82 -19.410 -15.528 35.520 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.665 -17.910 34.718 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.571 -16.423 34.912 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.462 -17.649 32.396 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.024 -16.899 32.659 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.014 -15.556 31.432 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.164 -14.720 32.456 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.651 -17.471 33.650 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.585 -18.467 33.686 1.00 0.00 C ATOM 1260 C LEU A 83 -15.382 -18.013 34.474 1.00 0.00 C ATOM 1261 O LEU A 83 -14.790 -18.805 35.201 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.185 -18.906 32.300 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.260 -19.645 31.538 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.766 -20.041 30.185 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -17.734 -20.861 32.305 1.00 0.00 C ATOM 0 H LEU A 83 -17.859 -17.104 32.721 1.00 0.00 H new ATOM 0 HA LEU A 83 -16.999 -19.328 34.210 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.890 -18.027 31.726 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.306 -19.547 32.376 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.108 -18.971 31.416 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.554 -20.572 29.651 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.485 -19.149 29.625 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.898 -20.691 30.291 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.507 -21.373 31.733 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.895 -21.538 32.469 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.141 -20.549 33.267 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.019 -16.747 34.341 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.892 -16.212 35.085 1.00 0.00 C ATOM 1279 C PHE A 84 -14.107 -16.422 36.575 1.00 0.00 C ATOM 1280 O PHE A 84 -13.209 -16.883 37.286 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.703 -14.724 34.774 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.946 -14.444 33.504 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.564 -14.530 32.277 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.614 -14.069 33.551 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -12.874 -14.253 31.113 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.917 -13.794 32.391 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.549 -13.886 31.171 1.00 0.00 C ATOM 0 H PHE A 84 -15.485 -16.076 33.730 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.988 -16.741 34.783 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.683 -14.252 34.710 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.178 -14.256 35.606 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.603 -14.818 32.224 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.115 -13.991 34.505 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.374 -14.324 30.158 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.877 -13.507 32.441 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.006 -13.671 30.262 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.309 -16.120 37.034 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.658 -16.311 38.422 1.00 0.00 C ATOM 1299 C GLU A 85 -15.850 -17.792 38.768 1.00 0.00 C ATOM 1300 O GLU A 85 -15.356 -18.252 39.782 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.910 -15.520 38.778 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.715 -14.018 38.711 1.00 0.00 C ATOM 1303 CD GLU A 85 -17.960 -13.261 39.092 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -18.135 -12.968 40.295 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -18.774 -12.956 38.197 1.00 0.00 O ATOM 0 H GLU A 85 -16.060 -15.740 36.458 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.823 -15.939 39.016 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.715 -15.805 38.100 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.229 -15.793 39.784 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.900 -13.730 39.375 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.417 -13.738 37.701 1.00 0.00 H new ATOM 1312 N MET A 86 -16.544 -18.544 37.904 1.00 0.00 N ATOM 1313 CA MET A 86 -16.836 -19.959 38.196 1.00 0.00 C ATOM 1314 C MET A 86 -15.574 -20.795 38.295 1.00 0.00 C ATOM 1315 O MET A 86 -15.450 -21.621 39.182 1.00 0.00 O ATOM 1316 CB MET A 86 -17.799 -20.590 37.163 1.00 0.00 C ATOM 1317 CG MET A 86 -19.247 -20.147 37.324 1.00 0.00 C ATOM 1318 SD MET A 86 -20.434 -21.322 36.625 1.00 0.00 S ATOM 1319 CE MET A 86 -19.789 -21.565 34.981 1.00 0.00 C ATOM 0 H MET A 86 -16.909 -18.208 37.013 1.00 0.00 H new ATOM 0 HA MET A 86 -17.330 -19.960 39.167 1.00 0.00 H new ATOM 0 HB2 MET A 86 -17.460 -20.334 36.159 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.749 -21.675 37.249 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.463 -20.010 38.384 1.00 0.00 H new ATOM 0 HG3 MET A 86 -19.379 -19.178 36.844 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.383 -22.319 34.465 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.836 -20.626 34.429 1.00 0.00 H new ATOM 0 HE3 MET A 86 -18.753 -21.898 35.042 1.00 0.00 H new ATOM 1329 N THR A 87 -14.643 -20.568 37.399 1.00 0.00 N ATOM 1330 CA THR A 87 -13.411 -21.331 37.377 1.00 0.00 C ATOM 1331 C THR A 87 -12.567 -21.093 38.651 1.00 0.00 C ATOM 1332 O THR A 87 -12.065 -22.039 39.259 1.00 0.00 O ATOM 1333 CB THR A 87 -12.585 -20.998 36.118 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.434 -21.072 34.966 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.439 -21.980 35.944 1.00 0.00 C ATOM 0 H THR A 87 -14.713 -19.858 36.670 1.00 0.00 H new ATOM 0 HA THR A 87 -13.683 -22.386 37.350 1.00 0.00 H new ATOM 0 HB THR A 87 -12.175 -19.994 36.230 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.994 -20.269 34.920 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.872 -21.723 35.049 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.784 -21.933 36.814 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.837 -22.990 35.844 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.739 -25.275 38.683 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.147 -25.417 37.302 1.00 0.00 C ATOM 1497 C PHE A 100 -23.929 -24.208 36.870 1.00 0.00 C ATOM 1498 O PHE A 100 -24.401 -23.427 37.698 1.00 0.00 O ATOM 1499 CB PHE A 100 -23.955 -26.711 37.046 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.310 -26.769 37.707 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.405 -26.135 37.133 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.493 -27.471 38.883 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.651 -26.201 37.728 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.738 -27.537 39.482 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.816 -26.902 38.903 1.00 0.00 C ATOM 0 HA PHE A 100 -22.239 -25.496 36.704 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.089 -26.829 35.971 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.365 -27.561 37.389 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.281 -25.585 36.212 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.654 -27.974 39.340 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.494 -25.704 37.272 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.866 -28.086 40.403 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.789 -26.954 39.370 1.00 0.00 H new ATOM 1515 N LEU A 101 -24.078 -24.049 35.590 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.755 -22.908 35.074 1.00 0.00 C ATOM 1517 C LEU A 101 -26.053 -23.325 34.402 1.00 0.00 C ATOM 1518 O LEU A 101 -26.065 -24.185 33.517 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.832 -22.170 34.121 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.297 -20.808 33.640 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.589 -19.902 34.821 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.221 -20.198 32.789 1.00 0.00 C ATOM 0 H LEU A 101 -23.736 -24.701 34.884 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.019 -22.231 35.886 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.866 -22.046 34.610 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.669 -22.802 33.248 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.211 -20.925 33.058 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.921 -18.929 34.460 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.371 -20.347 35.436 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.685 -19.778 35.417 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.546 -19.218 32.438 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.310 -20.089 33.377 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -23.025 -20.843 31.933 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.136 -22.733 34.841 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.445 -23.054 34.329 1.00 0.00 C ATOM 1536 C ALA A 102 -29.046 -21.868 33.610 1.00 0.00 C ATOM 1537 O ALA A 102 -28.573 -20.741 33.750 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.349 -23.497 35.462 1.00 0.00 C ATOM 0 H ALA A 102 -27.135 -22.014 35.564 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.347 -23.870 33.613 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.336 -23.738 35.067 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.925 -24.379 35.942 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.437 -22.693 36.193 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.079 -22.123 32.840 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.750 -21.079 32.103 1.00 0.00 C ATOM 1546 C ILE A 103 -32.147 -20.869 32.663 1.00 0.00 C ATOM 1547 O ILE A 103 -32.901 -21.828 32.844 1.00 0.00 O ATOM 1548 CB ILE A 103 -30.872 -21.437 30.603 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.500 -21.727 30.007 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.542 -20.297 29.839 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.554 -22.223 28.584 1.00 0.00 C ATOM 0 H ILE A 103 -30.475 -23.054 32.708 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.157 -20.170 32.204 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.487 -22.333 30.514 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -28.897 -20.819 30.044 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -28.995 -22.471 30.623 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.621 -20.563 28.785 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.538 -20.123 30.245 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -30.945 -19.391 29.941 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.542 -22.409 28.225 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.129 -23.148 28.543 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.030 -21.471 27.954 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.486 -19.633 32.944 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.808 -19.309 33.421 1.00 0.00 C ATOM 1565 C LYS A 104 -34.340 -18.170 32.643 1.00 0.00 C ATOM 1566 O LYS A 104 -33.589 -17.453 31.980 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.803 -18.934 34.872 1.00 0.00 C ATOM 1568 CG LYS A 104 -35.134 -19.196 35.546 1.00 0.00 C ATOM 1569 CD LYS A 104 -35.059 -18.932 37.015 1.00 0.00 C ATOM 1570 CE LYS A 104 -36.409 -19.138 37.682 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.356 -18.897 39.147 1.00 0.00 N ATOM 0 H LYS A 104 -31.861 -18.833 32.850 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.431 -20.195 33.297 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -33.023 -19.496 35.386 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -33.552 -17.878 34.970 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -35.901 -18.564 35.099 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -35.434 -20.230 35.375 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -34.322 -19.594 37.469 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -34.718 -17.911 37.186 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -37.141 -18.467 37.232 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.753 -20.155 37.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.299 -19.049 39.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -35.678 -19.554 39.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -36.054 -17.918 39.327 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.610 -17.976 32.717 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.197 -16.880 32.032 1.00 0.00 C ATOM 1587 C ARG A 105 -36.314 -15.711 32.973 1.00 0.00 C ATOM 1588 O ARG A 105 -36.913 -15.816 34.047 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.547 -17.240 31.397 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.700 -17.437 32.357 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.969 -17.713 31.585 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.264 -16.621 30.652 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.316 -15.811 30.724 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.234 -15.976 31.671 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.445 -14.829 29.845 1.00 0.00 N ATOM 0 H ARG A 105 -36.260 -18.560 33.243 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.546 -16.605 31.202 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -37.817 -16.452 30.693 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -37.421 -18.155 30.818 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -38.486 -18.267 33.031 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -38.826 -16.548 32.975 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -39.868 -18.649 31.035 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.801 -17.839 32.278 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.609 -16.470 29.885 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -42.135 -16.730 32.351 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.037 -15.349 31.717 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -40.740 -14.698 29.119 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.249 -14.203 29.894 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.671 -14.630 32.606 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.695 -13.413 33.401 1.00 0.00 C ATOM 1611 C LYS A 106 -37.131 -12.982 33.737 1.00 0.00 C ATOM 1612 O LYS A 106 -38.047 -13.131 32.918 1.00 0.00 O ATOM 1613 CB LYS A 106 -34.974 -12.278 32.680 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.614 -11.878 31.364 1.00 0.00 C ATOM 1615 CD LYS A 106 -35.032 -10.581 30.828 1.00 0.00 C ATOM 1616 CE LYS A 106 -33.541 -10.694 30.575 1.00 0.00 C ATOM 1617 NZ LYS A 106 -32.941 -9.385 30.242 1.00 0.00 N ATOM 0 H LYS A 106 -35.117 -14.562 31.753 1.00 0.00 H new ATOM 0 HA LYS A 106 -35.176 -13.631 34.334 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.941 -11.408 33.336 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -33.942 -12.577 32.495 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -35.468 -12.672 30.632 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.689 -11.765 31.502 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -35.538 -10.311 29.901 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -35.220 -9.777 31.540 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -33.052 -11.104 31.459 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -33.363 -11.394 29.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -31.921 -9.503 30.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -33.390 -9.005 29.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -33.089 -8.724 31.031 1.00 0.00 H new