USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 19 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 20 LYS NZ :NH3+ -113:sc= 1.17 (180deg=-0.58) USER MOD Single : A 21 THR OG1 : rot 18:sc= 0.663 USER MOD Single : A 26 TYR OH : rot -22:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 159:sc= 0.11 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0219) USER MOD Single : A 38 CYS SG : rot -140:sc= -2.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0698 X(o=-0.07,f=-0.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : A 58 TYR OH : rot 30:sc= 0.265 USER MOD Single : A 60 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.14) USER MOD Single : A 61 CYS SG : rot 126:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.036 (180deg=0.0285) USER MOD Single : A 72 HIS : no HD1:sc= -2.26! K(o=-2.3!,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 9.595 -6.231 1.082 1.00 0.00 N ATOM 69 CA LEU A 8 9.595 -4.926 1.733 1.00 0.00 C ATOM 70 C LEU A 8 9.248 -5.055 3.212 1.00 0.00 C ATOM 71 O LEU A 8 8.556 -5.988 3.619 1.00 0.00 O ATOM 72 CB LEU A 8 8.600 -3.989 1.043 1.00 0.00 C ATOM 73 CG LEU A 8 8.741 -3.900 -0.477 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.449 -3.399 -1.104 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.904 -2.993 -0.850 1.00 0.00 C ATOM 0 HA LEU A 8 10.597 -4.506 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.589 -4.320 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.715 -2.989 1.462 1.00 0.00 H new ATOM 0 HG LEU A 8 8.945 -4.898 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.568 -3.342 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.638 -4.086 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.214 -2.409 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.991 -2.940 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.729 -1.994 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.827 -3.394 -0.431 1.00 0.00 H new ATOM 87 N ARG A 9 9.734 -4.112 4.013 1.00 0.00 N ATOM 88 CA ARG A 9 9.476 -4.121 5.449 1.00 0.00 C ATOM 89 C ARG A 9 8.211 -3.334 5.779 1.00 0.00 C ATOM 90 O ARG A 9 7.489 -2.898 4.883 1.00 0.00 O ATOM 91 CB ARG A 9 10.668 -3.533 6.205 1.00 0.00 C ATOM 92 CG ARG A 9 11.995 -4.183 5.850 1.00 0.00 C ATOM 93 CD ARG A 9 12.289 -5.377 6.743 1.00 0.00 C ATOM 94 NE ARG A 9 13.090 -5.006 7.907 1.00 0.00 N ATOM 95 CZ ARG A 9 13.194 -5.752 9.004 1.00 0.00 C ATOM 96 NH1 ARG A 9 12.549 -6.910 9.092 1.00 0.00 N ATOM 97 NH2 ARG A 9 13.944 -5.341 10.017 1.00 0.00 N ATOM 0 H ARG A 9 10.308 -3.332 3.692 1.00 0.00 H new ATOM 0 HA ARG A 9 9.331 -5.155 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.729 -2.465 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.496 -3.639 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.977 -4.503 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.797 -3.451 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.351 -5.821 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.816 -6.139 6.168 1.00 0.00 H new ATOM 0 HE ARG A 9 13.600 -4.123 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.970 -7.232 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.633 -7.478 9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.442 -4.453 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.023 -5.913 10.858 1.00 0.00 H new ATOM 111 N LEU A 10 7.950 -3.158 7.069 1.00 0.00 N ATOM 112 CA LEU A 10 6.773 -2.424 7.519 1.00 0.00 C ATOM 113 C LEU A 10 7.165 -1.066 8.093 1.00 0.00 C ATOM 114 O LEU A 10 7.338 -0.920 9.303 1.00 0.00 O ATOM 115 CB LEU A 10 6.011 -3.234 8.569 1.00 0.00 C ATOM 116 CG LEU A 10 5.468 -4.578 8.081 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.529 -5.615 9.192 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.041 -4.422 7.574 1.00 0.00 C ATOM 0 H LEU A 10 8.538 -3.514 7.823 1.00 0.00 H new ATOM 0 HA LEU A 10 6.126 -2.261 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.671 -3.413 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.178 -2.634 8.934 1.00 0.00 H new ATOM 0 HG LEU A 10 6.092 -4.923 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.138 -6.564 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.563 -5.747 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.929 -5.278 10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.669 -5.387 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.406 -4.055 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.024 -3.712 6.747 1.00 0.00 H new ATOM 130 N GLY A 11 7.303 -0.077 7.217 1.00 0.00 N ATOM 131 CA GLY A 11 7.674 1.256 7.655 1.00 0.00 C ATOM 132 C GLY A 11 8.696 1.904 6.744 1.00 0.00 C ATOM 133 O GLY A 11 9.673 2.489 7.211 1.00 0.00 O ATOM 0 H GLY A 11 7.165 -0.174 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.783 1.882 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.076 1.203 8.667 1.00 0.00 H new ATOM 137 N ASP A 12 8.471 1.799 5.438 1.00 0.00 N ATOM 138 CA ASP A 12 9.381 2.380 4.457 1.00 0.00 C ATOM 139 C ASP A 12 8.609 3.144 3.386 1.00 0.00 C ATOM 140 O ASP A 12 7.551 2.705 2.937 1.00 0.00 O ATOM 141 CB ASP A 12 10.230 1.286 3.808 1.00 0.00 C ATOM 142 CG ASP A 12 11.548 1.074 4.526 1.00 0.00 C ATOM 143 OD1 ASP A 12 12.281 2.065 4.725 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.847 -0.083 4.890 1.00 0.00 O ATOM 0 H ASP A 12 7.667 1.318 5.035 1.00 0.00 H new ATOM 0 HA ASP A 12 10.037 3.079 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.669 0.351 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.424 1.550 2.768 1.00 0.00 H new ATOM 149 N ARG A 13 9.146 4.292 2.983 1.00 0.00 N ATOM 150 CA ARG A 13 8.507 5.118 1.965 1.00 0.00 C ATOM 151 C ARG A 13 8.716 4.525 0.575 1.00 0.00 C ATOM 152 O ARG A 13 9.843 4.444 0.087 1.00 0.00 O ATOM 153 CB ARG A 13 9.059 6.544 2.018 1.00 0.00 C ATOM 154 CG ARG A 13 8.066 7.559 2.562 1.00 0.00 C ATOM 155 CD ARG A 13 8.730 8.535 3.520 1.00 0.00 C ATOM 156 NE ARG A 13 7.855 8.891 4.633 1.00 0.00 N ATOM 157 CZ ARG A 13 8.050 9.945 5.423 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.088 10.747 5.226 1.00 0.00 N ATOM 159 NH2 ARG A 13 7.205 10.196 6.413 1.00 0.00 N ATOM 0 H ARG A 13 10.021 4.671 3.346 1.00 0.00 H new ATOM 0 HA ARG A 13 7.437 5.144 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.955 6.555 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.362 6.845 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.617 8.109 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.257 7.039 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.648 8.094 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.014 9.438 2.979 1.00 0.00 H new ATOM 0 HE ARG A 13 7.046 8.297 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.742 10.558 4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.232 11.553 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.406 9.582 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.354 11.003 7.018 1.00 0.00 H new ATOM 173 N VAL A 14 7.622 4.113 -0.058 1.00 0.00 N ATOM 174 CA VAL A 14 7.684 3.529 -1.391 1.00 0.00 C ATOM 175 C VAL A 14 6.975 4.413 -2.411 1.00 0.00 C ATOM 176 O VAL A 14 6.438 5.466 -2.066 1.00 0.00 O ATOM 177 CB VAL A 14 7.052 2.125 -1.421 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.955 1.116 -0.728 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.673 2.148 -0.779 1.00 0.00 C ATOM 0 H VAL A 14 6.682 4.173 0.332 1.00 0.00 H new ATOM 0 HA VAL A 14 8.739 3.450 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 14 6.939 1.819 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.491 0.130 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.918 1.080 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.104 1.414 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.241 1.148 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.759 2.475 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.029 2.838 -1.325 1.00 0.00 H new ATOM 189 N LEU A 15 6.979 3.981 -3.668 1.00 0.00 N ATOM 190 CA LEU A 15 6.336 4.734 -4.738 1.00 0.00 C ATOM 191 C LEU A 15 5.238 3.909 -5.402 1.00 0.00 C ATOM 192 O LEU A 15 5.482 2.798 -5.872 1.00 0.00 O ATOM 193 CB LEU A 15 7.368 5.165 -5.781 1.00 0.00 C ATOM 194 CG LEU A 15 6.946 6.341 -6.664 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.610 7.553 -5.810 1.00 0.00 C ATOM 196 CD2 LEU A 15 8.042 6.677 -7.663 1.00 0.00 C ATOM 0 H LEU A 15 7.421 3.113 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 15 5.882 5.622 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.292 5.430 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.592 4.312 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 15 6.053 6.054 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.312 8.380 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.791 7.306 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.486 7.843 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.725 7.516 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.953 6.946 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.235 5.811 -8.296 1.00 0.00 H new ATOM 208 N VAL A 16 4.029 4.459 -5.436 1.00 0.00 N ATOM 209 CA VAL A 16 2.894 3.774 -6.044 1.00 0.00 C ATOM 210 C VAL A 16 2.429 4.496 -7.304 1.00 0.00 C ATOM 211 O VAL A 16 2.302 5.721 -7.320 1.00 0.00 O ATOM 212 CB VAL A 16 1.711 3.665 -5.061 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.592 2.823 -5.658 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.172 3.087 -3.731 1.00 0.00 C ATOM 0 H VAL A 16 3.810 5.377 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 16 3.232 2.771 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 16 1.322 4.667 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.233 2.759 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.242 3.285 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.965 1.822 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.323 3.018 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.590 2.093 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.933 3.735 -3.297 1.00 0.00 H new ATOM 224 N GLY A 17 2.176 3.729 -8.359 1.00 0.00 N ATOM 225 CA GLY A 17 1.729 4.313 -9.611 1.00 0.00 C ATOM 226 C GLY A 17 2.766 5.229 -10.231 1.00 0.00 C ATOM 227 O GLY A 17 2.434 6.096 -11.040 1.00 0.00 O ATOM 0 H GLY A 17 2.272 2.714 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.488 3.516 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.811 4.874 -9.438 1.00 0.00 H new ATOM 231 N GLY A 18 4.028 5.038 -9.854 1.00 0.00 N ATOM 232 CA GLY A 18 5.096 5.862 -10.390 1.00 0.00 C ATOM 233 C GLY A 18 4.877 7.341 -10.133 1.00 0.00 C ATOM 234 O GLY A 18 5.148 8.174 -10.998 1.00 0.00 O ATOM 0 H GLY A 18 4.329 4.327 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.043 5.556 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.177 5.692 -11.464 1.00 0.00 H new ATOM 238 N THR A 19 4.386 7.667 -8.943 1.00 0.00 N ATOM 239 CA THR A 19 4.132 9.056 -8.576 1.00 0.00 C ATOM 240 C THR A 19 3.642 9.159 -7.133 1.00 0.00 C ATOM 241 O THR A 19 4.257 9.832 -6.306 1.00 0.00 O ATOM 242 CB THR A 19 3.101 9.677 -9.524 1.00 0.00 C ATOM 243 OG1 THR A 19 2.433 8.675 -10.269 1.00 0.00 O ATOM 244 CG2 THR A 19 3.706 10.654 -10.508 1.00 0.00 C ATOM 0 H THR A 19 4.156 6.989 -8.216 1.00 0.00 H new ATOM 0 HA THR A 19 5.070 9.605 -8.661 1.00 0.00 H new ATOM 0 HB THR A 19 2.407 10.217 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.779 9.093 -10.867 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.922 11.057 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.185 11.469 -9.964 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.448 10.141 -11.120 1.00 0.00 H new ATOM 252 N LYS A 20 2.533 8.488 -6.841 1.00 0.00 N ATOM 253 CA LYS A 20 1.960 8.504 -5.499 1.00 0.00 C ATOM 254 C LYS A 20 2.949 7.956 -4.476 1.00 0.00 C ATOM 255 O LYS A 20 3.222 6.756 -4.442 1.00 0.00 O ATOM 256 CB LYS A 20 0.668 7.686 -5.465 1.00 0.00 C ATOM 257 CG LYS A 20 -0.411 8.216 -6.396 1.00 0.00 C ATOM 258 CD LYS A 20 -1.180 7.083 -7.062 1.00 0.00 C ATOM 259 CE LYS A 20 -2.682 7.261 -6.905 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.227 6.428 -5.797 1.00 0.00 N ATOM 0 H LYS A 20 2.013 7.926 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 20 1.735 9.539 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.894 6.654 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.283 7.673 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.102 8.844 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.044 8.847 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.926 7.043 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.878 6.131 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.905 8.311 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.179 6.994 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.846 5.690 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.443 5.982 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.773 7.029 -5.147 1.00 0.00 H new ATOM 274 N THR A 21 3.483 8.842 -3.641 1.00 0.00 N ATOM 275 CA THR A 21 4.440 8.446 -2.616 1.00 0.00 C ATOM 276 C THR A 21 3.727 8.082 -1.318 1.00 0.00 C ATOM 277 O THR A 21 2.994 8.893 -0.752 1.00 0.00 O ATOM 278 CB THR A 21 5.443 9.572 -2.360 1.00 0.00 C ATOM 279 OG1 THR A 21 4.815 10.666 -1.715 1.00 0.00 O ATOM 280 CG2 THR A 21 6.090 10.095 -3.624 1.00 0.00 C ATOM 0 H THR A 21 3.269 9.839 -3.655 1.00 0.00 H new ATOM 0 HA THR A 21 4.975 7.567 -2.976 1.00 0.00 H new ATOM 0 HB THR A 21 6.216 9.133 -1.730 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.971 10.369 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.790 10.891 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.625 9.286 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.322 10.485 -4.291 1.00 0.00 H new ATOM 288 N GLY A 22 3.945 6.856 -0.851 1.00 0.00 N ATOM 289 CA GLY A 22 3.315 6.408 0.377 1.00 0.00 C ATOM 290 C GLY A 22 4.167 5.411 1.137 1.00 0.00 C ATOM 291 O GLY A 22 5.006 4.726 0.550 1.00 0.00 O ATOM 0 H GLY A 22 4.546 6.166 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.115 7.270 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.352 5.954 0.143 1.00 0.00 H new ATOM 295 N VAL A 23 3.954 5.329 2.446 1.00 0.00 N ATOM 296 CA VAL A 23 4.710 4.410 3.289 1.00 0.00 C ATOM 297 C VAL A 23 4.013 3.055 3.383 1.00 0.00 C ATOM 298 O VAL A 23 2.792 2.982 3.517 1.00 0.00 O ATOM 299 CB VAL A 23 4.903 4.976 4.708 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.831 4.083 5.521 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.439 6.399 4.650 1.00 0.00 C ATOM 0 H VAL A 23 3.263 5.888 2.947 1.00 0.00 H new ATOM 0 HA VAL A 23 5.687 4.283 2.823 1.00 0.00 H new ATOM 0 HB VAL A 23 3.932 4.998 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.954 4.500 6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.402 3.084 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.802 4.025 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.568 6.781 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.399 6.405 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.734 7.032 4.111 1.00 0.00 H new ATOM 311 N VAL A 24 4.799 1.985 3.313 1.00 0.00 N ATOM 312 CA VAL A 24 4.259 0.633 3.393 1.00 0.00 C ATOM 313 C VAL A 24 3.658 0.361 4.767 1.00 0.00 C ATOM 314 O VAL A 24 4.324 0.523 5.790 1.00 0.00 O ATOM 315 CB VAL A 24 5.341 -0.423 3.101 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.721 -1.807 2.990 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.104 -0.070 1.833 1.00 0.00 C ATOM 0 H VAL A 24 5.812 2.029 3.201 1.00 0.00 H new ATOM 0 HA VAL A 24 3.478 0.560 2.637 1.00 0.00 H new ATOM 0 HB VAL A 24 6.047 -0.432 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.501 -2.540 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.225 -2.060 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.992 -1.815 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.864 -0.828 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.413 -0.031 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.583 0.902 1.955 1.00 0.00 H new ATOM 327 N ARG A 25 2.395 -0.053 4.784 1.00 0.00 N ATOM 328 CA ARG A 25 1.703 -0.347 6.035 1.00 0.00 C ATOM 329 C ARG A 25 1.467 -1.848 6.186 1.00 0.00 C ATOM 330 O ARG A 25 1.427 -2.370 7.300 1.00 0.00 O ATOM 331 CB ARG A 25 0.369 0.398 6.091 1.00 0.00 C ATOM 332 CG ARG A 25 0.510 1.870 6.444 1.00 0.00 C ATOM 333 CD ARG A 25 0.541 2.081 7.950 1.00 0.00 C ATOM 334 NE ARG A 25 0.769 3.481 8.301 1.00 0.00 N ATOM 335 CZ ARG A 25 1.963 4.066 8.275 1.00 0.00 C ATOM 336 NH1 ARG A 25 3.040 3.379 7.915 1.00 0.00 N ATOM 337 NH2 ARG A 25 2.083 5.344 8.609 1.00 0.00 N ATOM 0 H ARG A 25 1.830 -0.193 3.946 1.00 0.00 H new ATOM 0 HA ARG A 25 2.334 -0.011 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.128 0.310 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.276 -0.083 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.424 2.266 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.321 2.430 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.402 1.748 8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.327 1.465 8.387 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.035 4.042 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.955 2.396 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.953 3.834 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.259 5.878 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.999 5.793 8.589 1.00 0.00 H new ATOM 351 N TYR A 26 1.312 -2.535 5.060 1.00 0.00 N ATOM 352 CA TYR A 26 1.080 -3.974 5.068 1.00 0.00 C ATOM 353 C TYR A 26 2.011 -4.681 4.089 1.00 0.00 C ATOM 354 O TYR A 26 2.357 -4.134 3.041 1.00 0.00 O ATOM 355 CB TYR A 26 -0.377 -4.279 4.715 1.00 0.00 C ATOM 356 CG TYR A 26 -0.737 -5.742 4.835 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.588 -6.605 3.756 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.226 -6.262 6.027 1.00 0.00 C ATOM 359 CE1 TYR A 26 -0.916 -7.943 3.861 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.556 -7.600 6.140 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.400 -8.435 5.055 1.00 0.00 C ATOM 362 OH TYR A 26 -1.728 -9.767 5.164 1.00 0.00 O ATOM 0 H TYR A 26 1.343 -2.118 4.130 1.00 0.00 H new ATOM 0 HA TYR A 26 1.289 -4.344 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.029 -3.699 5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.571 -3.948 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.209 -6.223 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.350 -5.610 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.794 -8.600 3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.934 -7.989 7.074 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.894 -10.137 4.272 1.00 0.00 H new ATOM 372 N VAL A 27 2.415 -5.898 4.438 1.00 0.00 N ATOM 373 CA VAL A 27 3.307 -6.679 3.588 1.00 0.00 C ATOM 374 C VAL A 27 3.048 -8.174 3.749 1.00 0.00 C ATOM 375 O VAL A 27 3.496 -8.792 4.714 1.00 0.00 O ATOM 376 CB VAL A 27 4.785 -6.388 3.910 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.698 -7.075 2.907 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.039 -4.888 3.933 1.00 0.00 C ATOM 0 H VAL A 27 2.139 -6.364 5.302 1.00 0.00 H new ATOM 0 HA VAL A 27 3.102 -6.386 2.558 1.00 0.00 H new ATOM 0 HB VAL A 27 5.008 -6.788 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.737 -6.857 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.535 -8.152 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.477 -6.709 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.088 -4.700 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.799 -4.463 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.413 -4.425 4.695 1.00 0.00 H new ATOM 388 N GLY A 28 2.322 -8.748 2.795 1.00 0.00 N ATOM 389 CA GLY A 28 2.016 -10.165 2.849 1.00 0.00 C ATOM 390 C GLY A 28 0.868 -10.545 1.934 1.00 0.00 C ATOM 391 O GLY A 28 0.526 -9.801 1.015 1.00 0.00 O ATOM 0 H GLY A 28 1.941 -8.257 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.902 -10.736 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.767 -10.441 3.874 1.00 0.00 H new ATOM 395 N GLU A 29 0.274 -11.707 2.185 1.00 0.00 N ATOM 396 CA GLU A 29 -0.842 -12.185 1.376 1.00 0.00 C ATOM 397 C GLU A 29 -2.137 -11.479 1.765 1.00 0.00 C ATOM 398 O GLU A 29 -2.149 -10.629 2.655 1.00 0.00 O ATOM 399 CB GLU A 29 -1.004 -13.697 1.536 1.00 0.00 C ATOM 400 CG GLU A 29 0.144 -14.498 0.945 1.00 0.00 C ATOM 401 CD GLU A 29 0.430 -15.768 1.723 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.394 -15.722 2.971 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.689 -16.809 1.084 1.00 0.00 O ATOM 0 H GLU A 29 0.546 -12.335 2.941 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.625 -11.958 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.094 -13.934 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.935 -14.007 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.091 -14.754 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.041 -13.879 0.924 1.00 0.00 H new ATOM 410 N THR A 30 -3.225 -11.837 1.091 1.00 0.00 N ATOM 411 CA THR A 30 -4.525 -11.238 1.367 1.00 0.00 C ATOM 412 C THR A 30 -5.621 -12.300 1.385 1.00 0.00 C ATOM 413 O THR A 30 -5.347 -13.490 1.234 1.00 0.00 O ATOM 414 CB THR A 30 -4.852 -10.173 0.319 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.799 -10.720 -0.987 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.911 -8.988 0.357 1.00 0.00 C ATOM 0 H THR A 30 -3.232 -12.538 0.350 1.00 0.00 H new ATOM 0 HA THR A 30 -4.479 -10.770 2.350 1.00 0.00 H new ATOM 0 HB THR A 30 -5.857 -9.828 0.562 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.314 -10.154 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.199 -8.270 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.964 -8.512 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.891 -9.327 0.173 1.00 0.00 H new ATOM 424 N ASP A 31 -6.861 -11.861 1.573 1.00 0.00 N ATOM 425 CA ASP A 31 -7.998 -12.774 1.612 1.00 0.00 C ATOM 426 C ASP A 31 -8.986 -12.461 0.494 1.00 0.00 C ATOM 427 O ASP A 31 -10.191 -12.668 0.642 1.00 0.00 O ATOM 428 CB ASP A 31 -8.699 -12.690 2.968 1.00 0.00 C ATOM 429 CG ASP A 31 -9.193 -14.040 3.450 1.00 0.00 C ATOM 430 OD1 ASP A 31 -8.365 -14.829 3.954 1.00 0.00 O ATOM 431 OD2 ASP A 31 -10.405 -14.309 3.323 1.00 0.00 O ATOM 0 H ASP A 31 -7.104 -10.879 1.701 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.624 -13.787 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.011 -12.274 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.542 -12.003 2.896 1.00 0.00 H new ATOM 436 N PHE A 32 -8.471 -11.961 -0.624 1.00 0.00 N ATOM 437 CA PHE A 32 -9.311 -11.621 -1.767 1.00 0.00 C ATOM 438 C PHE A 32 -8.627 -11.999 -3.078 1.00 0.00 C ATOM 439 O PHE A 32 -9.240 -12.606 -3.957 1.00 0.00 O ATOM 440 CB PHE A 32 -9.638 -10.126 -1.760 1.00 0.00 C ATOM 441 CG PHE A 32 -8.438 -9.244 -1.956 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.703 -8.801 -0.869 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.045 -8.859 -3.228 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.598 -7.989 -1.046 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.942 -8.048 -3.411 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.218 -7.612 -2.319 1.00 0.00 C ATOM 0 H PHE A 32 -7.477 -11.782 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.238 -12.189 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.363 -9.918 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.114 -9.872 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.996 -9.093 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.607 -9.197 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.033 -7.650 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.646 -7.755 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.356 -6.977 -2.460 1.00 0.00 H new ATOM 456 N ALA A 33 -7.354 -11.638 -3.203 1.00 0.00 N ATOM 457 CA ALA A 33 -6.587 -11.940 -4.405 1.00 0.00 C ATOM 458 C ALA A 33 -5.495 -12.964 -4.117 1.00 0.00 C ATOM 459 O ALA A 33 -5.020 -13.080 -2.987 1.00 0.00 O ATOM 460 CB ALA A 33 -5.982 -10.667 -4.978 1.00 0.00 C ATOM 0 H ALA A 33 -6.832 -11.135 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.266 -12.370 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.412 -10.907 -5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.779 -9.967 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.322 -10.213 -4.239 1.00 0.00 H new ATOM 466 N LYS A 34 -5.100 -13.706 -5.146 1.00 0.00 N ATOM 467 CA LYS A 34 -4.063 -14.721 -5.003 1.00 0.00 C ATOM 468 C LYS A 34 -2.685 -14.135 -5.294 1.00 0.00 C ATOM 469 O LYS A 34 -2.449 -13.581 -6.368 1.00 0.00 O ATOM 470 CB LYS A 34 -4.338 -15.897 -5.942 1.00 0.00 C ATOM 471 CG LYS A 34 -5.702 -16.536 -5.733 1.00 0.00 C ATOM 472 CD LYS A 34 -5.832 -17.838 -6.508 1.00 0.00 C ATOM 473 CE LYS A 34 -7.008 -18.664 -6.014 1.00 0.00 C ATOM 474 NZ LYS A 34 -8.300 -17.942 -6.176 1.00 0.00 N ATOM 0 H LYS A 34 -5.482 -13.623 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.077 -15.077 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.261 -15.553 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.566 -16.653 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.857 -16.726 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.482 -15.843 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.959 -17.620 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.913 -18.415 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.047 -19.605 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.861 -18.913 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.087 -18.585 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.326 -17.128 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.390 -17.608 -7.157 1.00 0.00 H new ATOM 488 N GLY A 35 -1.778 -14.262 -4.330 1.00 0.00 N ATOM 489 CA GLY A 35 -0.436 -13.741 -4.502 1.00 0.00 C ATOM 490 C GLY A 35 0.040 -12.955 -3.296 1.00 0.00 C ATOM 491 O GLY A 35 -0.195 -13.353 -2.155 1.00 0.00 O ATOM 0 H GLY A 35 -1.950 -14.717 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.250 -14.567 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.409 -13.100 -5.383 1.00 0.00 H new ATOM 495 N GLU A 36 0.710 -11.836 -3.548 1.00 0.00 N ATOM 496 CA GLU A 36 1.220 -10.991 -2.474 1.00 0.00 C ATOM 497 C GLU A 36 0.956 -9.518 -2.768 1.00 0.00 C ATOM 498 O GLU A 36 1.232 -9.035 -3.867 1.00 0.00 O ATOM 499 CB GLU A 36 2.721 -11.228 -2.280 1.00 0.00 C ATOM 500 CG GLU A 36 3.053 -12.038 -1.038 1.00 0.00 C ATOM 501 CD GLU A 36 4.532 -12.345 -0.920 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.329 -11.392 -0.788 1.00 0.00 O ATOM 503 OE2 GLU A 36 4.896 -13.540 -0.962 1.00 0.00 O ATOM 0 H GLU A 36 0.913 -11.493 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 36 0.697 -11.256 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.115 -11.743 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.228 -10.265 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.728 -11.490 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.492 -12.973 -1.058 1.00 0.00 H new ATOM 510 N TRP A 37 0.420 -8.809 -1.780 1.00 0.00 N ATOM 511 CA TRP A 37 0.118 -7.391 -1.933 1.00 0.00 C ATOM 512 C TRP A 37 0.765 -6.575 -0.817 1.00 0.00 C ATOM 513 O TRP A 37 1.186 -7.123 0.202 1.00 0.00 O ATOM 514 CB TRP A 37 -1.395 -7.167 -1.933 1.00 0.00 C ATOM 515 CG TRP A 37 -2.089 -7.800 -3.100 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.281 -9.134 -3.315 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.683 -7.125 -4.214 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.959 -9.330 -4.493 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.216 -8.112 -5.064 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.817 -5.781 -4.575 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.873 -7.796 -6.252 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.468 -5.469 -5.754 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.989 -6.473 -6.580 1.00 0.00 C ATOM 0 H TRP A 37 0.186 -9.194 -0.865 1.00 0.00 H new ATOM 0 HA TRP A 37 0.527 -7.058 -2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.814 -7.567 -1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.596 -6.096 -1.937 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.948 -9.921 -2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.227 -10.235 -4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.419 -5.000 -3.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.276 -8.568 -6.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.577 -4.434 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.493 -6.197 -7.495 1.00 0.00 H new ATOM 534 N CYS A 38 0.839 -5.263 -1.017 1.00 0.00 N ATOM 535 CA CYS A 38 1.433 -4.372 -0.028 1.00 0.00 C ATOM 536 C CYS A 38 0.627 -3.083 0.096 1.00 0.00 C ATOM 537 O CYS A 38 0.390 -2.388 -0.893 1.00 0.00 O ATOM 538 CB CYS A 38 2.880 -4.048 -0.406 1.00 0.00 C ATOM 539 SG CYS A 38 4.101 -5.152 0.340 1.00 0.00 S ATOM 0 H CYS A 38 0.495 -4.794 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 38 1.422 -4.881 0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.980 -4.093 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.102 -3.023 -0.107 1.00 0.00 H new ATOM 0 HG CYS A 38 5.139 -4.463 0.712 1.00 0.00 H new ATOM 545 N GLY A 39 0.210 -2.768 1.318 1.00 0.00 N ATOM 546 CA GLY A 39 -0.565 -1.563 1.549 1.00 0.00 C ATOM 547 C GLY A 39 0.307 -0.330 1.679 1.00 0.00 C ATOM 548 O GLY A 39 1.325 -0.351 2.370 1.00 0.00 O ATOM 0 H GLY A 39 0.395 -3.325 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.267 -1.423 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.157 -1.683 2.457 1.00 0.00 H new ATOM 552 N VAL A 40 -0.090 0.747 1.009 1.00 0.00 N ATOM 553 CA VAL A 40 0.663 1.994 1.051 1.00 0.00 C ATOM 554 C VAL A 40 -0.239 3.169 1.419 1.00 0.00 C ATOM 555 O VAL A 40 -1.239 3.428 0.751 1.00 0.00 O ATOM 556 CB VAL A 40 1.341 2.287 -0.300 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.287 3.471 -0.179 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.078 1.055 -0.805 1.00 0.00 C ATOM 0 H VAL A 40 -0.929 0.781 0.430 1.00 0.00 H new ATOM 0 HA VAL A 40 1.430 1.874 1.816 1.00 0.00 H new ATOM 0 HB VAL A 40 0.568 2.543 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.756 3.662 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.728 4.353 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.056 3.248 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.551 1.280 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.841 0.765 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.371 0.236 -0.934 1.00 0.00 H new ATOM 568 N GLU A 41 0.124 3.875 2.485 1.00 0.00 N ATOM 569 CA GLU A 41 -0.652 5.022 2.941 1.00 0.00 C ATOM 570 C GLU A 41 -0.127 6.314 2.325 1.00 0.00 C ATOM 571 O GLU A 41 1.067 6.603 2.389 1.00 0.00 O ATOM 572 CB GLU A 41 -0.613 5.117 4.467 1.00 0.00 C ATOM 573 CG GLU A 41 -1.550 6.170 5.035 1.00 0.00 C ATOM 574 CD GLU A 41 -0.839 7.467 5.367 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.033 7.885 4.574 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.151 8.064 6.418 1.00 0.00 O ATOM 0 H GLU A 41 0.950 3.673 3.049 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.684 4.881 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.872 4.146 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.406 5.341 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.344 6.370 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.025 5.780 5.935 1.00 0.00 H new ATOM 583 N LEU A 42 -1.028 7.087 1.727 1.00 0.00 N ATOM 584 CA LEU A 42 -0.655 8.350 1.098 1.00 0.00 C ATOM 585 C LEU A 42 -0.837 9.515 2.065 1.00 0.00 C ATOM 586 O LEU A 42 -1.492 9.381 3.099 1.00 0.00 O ATOM 587 CB LEU A 42 -1.491 8.581 -0.161 1.00 0.00 C ATOM 588 CG LEU A 42 -1.125 7.695 -1.353 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.197 7.779 -2.429 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.231 8.095 -1.916 1.00 0.00 C ATOM 0 H LEU A 42 -2.021 6.862 1.665 1.00 0.00 H new ATOM 0 HA LEU A 42 0.398 8.293 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.541 8.419 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.390 9.625 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.064 6.662 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.920 7.142 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.150 7.445 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.290 8.810 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.476 7.455 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.197 9.134 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.993 7.983 -1.144 1.00 0.00 H new ATOM 602 N ASP A 43 -0.252 10.658 1.723 1.00 0.00 N ATOM 603 CA ASP A 43 -0.349 11.847 2.560 1.00 0.00 C ATOM 604 C ASP A 43 -1.648 12.599 2.290 1.00 0.00 C ATOM 605 O ASP A 43 -2.284 13.112 3.211 1.00 0.00 O ATOM 606 CB ASP A 43 0.847 12.769 2.316 1.00 0.00 C ATOM 607 CG ASP A 43 2.151 12.165 2.798 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.361 10.953 2.579 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.962 12.903 3.397 1.00 0.00 O ATOM 0 H ASP A 43 0.295 10.786 0.871 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.345 11.527 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.923 12.987 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.680 13.719 2.824 1.00 0.00 H new ATOM 614 N GLU A 44 -2.037 12.659 1.021 1.00 0.00 N ATOM 615 CA GLU A 44 -3.262 13.348 0.628 1.00 0.00 C ATOM 616 C GLU A 44 -4.319 12.351 0.158 1.00 0.00 C ATOM 617 O GLU A 44 -3.991 11.273 -0.336 1.00 0.00 O ATOM 618 CB GLU A 44 -2.969 14.358 -0.483 1.00 0.00 C ATOM 619 CG GLU A 44 -1.947 15.413 -0.092 1.00 0.00 C ATOM 620 CD GLU A 44 -1.379 16.146 -1.291 1.00 0.00 C ATOM 621 OE1 GLU A 44 -2.166 16.762 -2.040 1.00 0.00 O ATOM 622 OE2 GLU A 44 -0.145 16.104 -1.483 1.00 0.00 O ATOM 0 H GLU A 44 -1.522 12.239 0.247 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.648 13.877 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.609 13.824 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.898 14.852 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.412 16.132 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.134 14.940 0.459 1.00 0.00 H new ATOM 629 N PRO A 45 -5.610 12.702 0.308 1.00 0.00 N ATOM 630 CA PRO A 45 -6.717 11.832 -0.104 1.00 0.00 C ATOM 631 C PRO A 45 -6.608 11.410 -1.565 1.00 0.00 C ATOM 632 O PRO A 45 -7.164 12.057 -2.452 1.00 0.00 O ATOM 633 CB PRO A 45 -7.958 12.704 0.108 1.00 0.00 C ATOM 634 CG PRO A 45 -7.548 13.710 1.128 1.00 0.00 C ATOM 635 CD PRO A 45 -6.088 13.970 0.888 1.00 0.00 C ATOM 0 HA PRO A 45 -6.734 10.901 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.266 13.185 -0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.804 12.110 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.129 14.627 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.717 13.334 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.935 14.807 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.565 14.212 1.813 1.00 0.00 H new ATOM 643 N LEU A 46 -5.887 10.319 -1.808 1.00 0.00 N ATOM 644 CA LEU A 46 -5.706 9.811 -3.162 1.00 0.00 C ATOM 645 C LEU A 46 -5.654 8.285 -3.169 1.00 0.00 C ATOM 646 O LEU A 46 -4.986 7.681 -4.007 1.00 0.00 O ATOM 647 CB LEU A 46 -4.422 10.378 -3.774 1.00 0.00 C ATOM 648 CG LEU A 46 -4.419 11.893 -3.984 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.999 12.434 -3.946 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.092 12.248 -5.301 1.00 0.00 C ATOM 0 H LEU A 46 -5.420 9.771 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.559 10.131 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.583 10.114 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.251 9.893 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.983 12.355 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.017 13.513 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.550 12.210 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.410 11.967 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.081 13.330 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.555 11.775 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.123 11.894 -5.290 1.00 0.00 H new ATOM 662 N GLY A 47 -6.362 7.670 -2.227 1.00 0.00 N ATOM 663 CA GLY A 47 -6.383 6.222 -2.142 1.00 0.00 C ATOM 664 C GLY A 47 -7.699 5.632 -2.611 1.00 0.00 C ATOM 665 O GLY A 47 -8.536 6.335 -3.177 1.00 0.00 O ATOM 0 H GLY A 47 -6.921 8.149 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.571 5.814 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.199 5.919 -1.111 1.00 0.00 H new ATOM 669 N LYS A 48 -7.882 4.337 -2.374 1.00 0.00 N ATOM 670 CA LYS A 48 -9.105 3.652 -2.777 1.00 0.00 C ATOM 671 C LYS A 48 -9.883 3.168 -1.557 1.00 0.00 C ATOM 672 O LYS A 48 -11.113 3.220 -1.531 1.00 0.00 O ATOM 673 CB LYS A 48 -8.775 2.469 -3.688 1.00 0.00 C ATOM 674 CG LYS A 48 -8.325 2.880 -5.080 1.00 0.00 C ATOM 675 CD LYS A 48 -9.421 2.657 -6.111 1.00 0.00 C ATOM 676 CE LYS A 48 -9.462 3.781 -7.133 1.00 0.00 C ATOM 677 NZ LYS A 48 -10.461 3.521 -8.206 1.00 0.00 N ATOM 0 H LYS A 48 -7.200 3.741 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.726 4.361 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.991 1.871 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.654 1.830 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.038 3.932 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.440 2.309 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.256 1.707 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.386 2.586 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.703 4.718 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.475 3.903 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.458 4.311 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.217 2.640 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.407 3.430 -7.785 1.00 0.00 H new ATOM 691 N ASN A 49 -9.158 2.695 -0.548 1.00 0.00 N ATOM 692 CA ASN A 49 -9.779 2.202 0.675 1.00 0.00 C ATOM 693 C ASN A 49 -8.991 2.645 1.903 1.00 0.00 C ATOM 694 O ASN A 49 -8.009 3.379 1.791 1.00 0.00 O ATOM 695 CB ASN A 49 -9.877 0.676 0.640 1.00 0.00 C ATOM 696 CG ASN A 49 -10.789 0.180 -0.466 1.00 0.00 C ATOM 697 OD1 ASN A 49 -12.003 0.379 -0.422 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.205 -0.470 -1.466 1.00 0.00 N ATOM 0 H ASN A 49 -8.139 2.643 -0.554 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.782 2.623 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.881 0.254 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.246 0.316 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.766 -0.827 -2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.195 -0.612 -1.461 1.00 0.00 H new ATOM 705 N ASP A 50 -9.429 2.195 3.076 1.00 0.00 N ATOM 706 CA ASP A 50 -8.765 2.546 4.325 1.00 0.00 C ATOM 707 C ASP A 50 -8.010 1.349 4.895 1.00 0.00 C ATOM 708 O ASP A 50 -7.978 1.144 6.109 1.00 0.00 O ATOM 709 CB ASP A 50 -9.785 3.054 5.345 1.00 0.00 C ATOM 710 CG ASP A 50 -10.996 2.148 5.451 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.814 0.912 5.463 1.00 0.00 O ATOM 712 OD2 ASP A 50 -12.127 2.674 5.522 1.00 0.00 O ATOM 0 H ASP A 50 -10.241 1.587 3.186 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.047 3.339 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.309 3.135 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.108 4.056 5.064 1.00 0.00 H new ATOM 717 N GLY A 51 -7.404 0.563 4.012 1.00 0.00 N ATOM 718 CA GLY A 51 -6.659 -0.603 4.447 1.00 0.00 C ATOM 719 C GLY A 51 -7.561 -1.751 4.853 1.00 0.00 C ATOM 720 O GLY A 51 -7.272 -2.468 5.811 1.00 0.00 O ATOM 0 H GLY A 51 -7.416 0.713 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.000 -0.930 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.023 -0.330 5.289 1.00 0.00 H new ATOM 724 N ALA A 52 -8.658 -1.926 4.123 1.00 0.00 N ATOM 725 CA ALA A 52 -9.606 -2.994 4.412 1.00 0.00 C ATOM 726 C ALA A 52 -10.158 -3.600 3.127 1.00 0.00 C ATOM 727 O ALA A 52 -10.241 -2.930 2.099 1.00 0.00 O ATOM 728 CB ALA A 52 -10.740 -2.472 5.282 1.00 0.00 C ATOM 0 H ALA A 52 -8.912 -1.341 3.327 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.078 -3.778 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.441 -3.281 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.334 -2.093 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.259 -1.668 4.760 1.00 0.00 H new ATOM 734 N VAL A 53 -10.535 -4.873 3.194 1.00 0.00 N ATOM 735 CA VAL A 53 -11.078 -5.570 2.034 1.00 0.00 C ATOM 736 C VAL A 53 -12.169 -6.553 2.446 1.00 0.00 C ATOM 737 O VAL A 53 -11.926 -7.474 3.225 1.00 0.00 O ATOM 738 CB VAL A 53 -9.981 -6.331 1.269 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.525 -6.881 -0.041 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.782 -5.428 1.019 1.00 0.00 C ATOM 0 H VAL A 53 -10.474 -5.442 4.038 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.504 -4.809 1.380 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.654 -7.172 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.734 -7.416 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.349 -7.563 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.881 -6.058 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.016 -5.982 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.092 -4.566 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.378 -5.088 1.972 1.00 0.00 H new ATOM 750 N ALA A 54 -13.371 -6.350 1.918 1.00 0.00 N ATOM 751 CA ALA A 54 -14.500 -7.219 2.231 1.00 0.00 C ATOM 752 C ALA A 54 -14.805 -7.208 3.725 1.00 0.00 C ATOM 753 O ALA A 54 -15.293 -8.194 4.276 1.00 0.00 O ATOM 754 CB ALA A 54 -14.220 -8.637 1.758 1.00 0.00 C ATOM 0 H ALA A 54 -13.589 -5.592 1.272 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.376 -6.838 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.070 -9.275 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.060 -8.636 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.329 -9.018 2.257 1.00 0.00 H new ATOM 760 N GLY A 55 -14.512 -6.086 4.376 1.00 0.00 N ATOM 761 CA GLY A 55 -14.762 -5.969 5.800 1.00 0.00 C ATOM 762 C GLY A 55 -13.530 -6.265 6.633 1.00 0.00 C ATOM 763 O GLY A 55 -13.380 -5.745 7.738 1.00 0.00 O ATOM 0 H GLY A 55 -14.106 -5.257 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.113 -4.961 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.561 -6.655 6.083 1.00 0.00 H new ATOM 767 N THR A 56 -12.647 -7.104 6.102 1.00 0.00 N ATOM 768 CA THR A 56 -11.422 -7.469 6.804 1.00 0.00 C ATOM 769 C THR A 56 -10.385 -6.355 6.704 1.00 0.00 C ATOM 770 O THR A 56 -9.983 -5.964 5.610 1.00 0.00 O ATOM 771 CB THR A 56 -10.849 -8.767 6.232 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.889 -9.623 5.790 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.009 -9.541 7.225 1.00 0.00 C ATOM 0 H THR A 56 -12.757 -7.544 5.188 1.00 0.00 H new ATOM 0 HA THR A 56 -11.667 -7.620 7.855 1.00 0.00 H new ATOM 0 HB THR A 56 -10.211 -8.459 5.404 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.502 -10.447 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.634 -10.450 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.169 -8.926 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.618 -9.805 8.089 1.00 0.00 H new ATOM 781 N ARG A 57 -9.956 -5.849 7.857 1.00 0.00 N ATOM 782 CA ARG A 57 -8.965 -4.779 7.901 1.00 0.00 C ATOM 783 C ARG A 57 -7.639 -5.289 8.455 1.00 0.00 C ATOM 784 O ARG A 57 -7.577 -5.797 9.575 1.00 0.00 O ATOM 785 CB ARG A 57 -9.475 -3.617 8.754 1.00 0.00 C ATOM 786 CG ARG A 57 -8.533 -2.423 8.781 1.00 0.00 C ATOM 787 CD ARG A 57 -9.263 -1.128 8.461 1.00 0.00 C ATOM 788 NE ARG A 57 -10.126 -0.699 9.559 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.123 0.173 9.422 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.385 0.710 8.238 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.860 0.506 10.472 1.00 0.00 N ATOM 0 H ARG A 57 -10.279 -6.163 8.772 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.801 -4.427 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.445 -3.296 8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.633 -3.968 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.069 -2.347 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.729 -2.576 8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.535 -0.346 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.862 -1.263 7.561 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.955 -1.091 10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.822 0.456 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.150 1.377 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.663 0.094 11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.624 1.174 10.368 1.00 0.00 H new ATOM 805 N TYR A 58 -6.580 -5.152 7.664 1.00 0.00 N ATOM 806 CA TYR A 58 -5.254 -5.598 8.077 1.00 0.00 C ATOM 807 C TYR A 58 -4.587 -4.563 8.977 1.00 0.00 C ATOM 808 O TYR A 58 -4.182 -4.872 10.098 1.00 0.00 O ATOM 809 CB TYR A 58 -4.379 -5.863 6.849 1.00 0.00 C ATOM 810 CG TYR A 58 -5.030 -6.766 5.826 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.929 -6.259 4.896 1.00 0.00 C ATOM 812 CD2 TYR A 58 -4.743 -8.125 5.788 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.525 -7.082 3.959 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.335 -8.954 4.854 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.225 -8.427 3.942 1.00 0.00 C ATOM 816 OH TYR A 58 -6.817 -9.248 3.010 1.00 0.00 O ATOM 0 H TYR A 58 -6.614 -4.736 6.733 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.368 -6.523 8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.132 -4.912 6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.440 -6.312 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.166 -5.205 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.046 -8.540 6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.223 -6.673 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.102 -10.008 4.838 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.009 -8.735 2.197 1.00 0.00 H new ATOM 826 N PHE A 59 -4.476 -3.336 8.480 1.00 0.00 N ATOM 827 CA PHE A 59 -3.858 -2.256 9.240 1.00 0.00 C ATOM 828 C PHE A 59 -4.841 -1.110 9.453 1.00 0.00 C ATOM 829 O PHE A 59 -5.776 -0.927 8.674 1.00 0.00 O ATOM 830 CB PHE A 59 -2.609 -1.746 8.518 1.00 0.00 C ATOM 831 CG PHE A 59 -2.862 -1.343 7.093 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.966 -2.300 6.097 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.995 -0.007 6.751 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.199 -1.931 4.785 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.228 0.368 5.441 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.330 -0.596 4.457 1.00 0.00 C ATOM 0 H PHE A 59 -4.806 -3.065 7.554 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.570 -2.649 10.215 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.208 -0.892 9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.845 -2.523 8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.864 -3.345 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.916 0.750 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.278 -2.686 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.330 1.413 5.187 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.512 -0.306 3.433 1.00 0.00 H new ATOM 846 N GLN A 60 -4.622 -0.338 10.513 1.00 0.00 N ATOM 847 CA GLN A 60 -5.488 0.792 10.829 1.00 0.00 C ATOM 848 C GLN A 60 -5.055 2.040 10.068 1.00 0.00 C ATOM 849 O GLN A 60 -3.950 2.545 10.262 1.00 0.00 O ATOM 850 CB GLN A 60 -5.475 1.067 12.334 1.00 0.00 C ATOM 851 CG GLN A 60 -6.537 2.059 12.780 1.00 0.00 C ATOM 852 CD GLN A 60 -7.944 1.578 12.485 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.563 0.895 13.302 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.457 1.932 11.313 1.00 0.00 N ATOM 0 H GLN A 60 -3.852 -0.475 11.168 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.502 0.536 10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.620 0.128 12.868 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.493 1.447 12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.435 2.238 13.850 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.371 3.013 12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.908 2.499 10.666 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.400 1.637 11.059 1.00 0.00 H new ATOM 863 N CYS A 61 -5.933 2.532 9.200 1.00 0.00 N ATOM 864 CA CYS A 61 -5.642 3.722 8.409 1.00 0.00 C ATOM 865 C CYS A 61 -6.904 4.553 8.191 1.00 0.00 C ATOM 866 O CYS A 61 -8.016 4.025 8.211 1.00 0.00 O ATOM 867 CB CYS A 61 -5.035 3.329 7.061 1.00 0.00 C ATOM 868 SG CYS A 61 -3.227 3.364 7.026 1.00 0.00 S ATOM 0 H CYS A 61 -6.852 2.125 9.027 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.922 4.327 8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.373 2.326 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.416 4.003 6.293 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.778 2.212 6.623 1.00 0.00 H new ATOM 874 N PRO A 62 -6.747 5.871 7.977 1.00 0.00 N ATOM 875 CA PRO A 62 -7.882 6.774 7.753 1.00 0.00 C ATOM 876 C PRO A 62 -8.588 6.499 6.428 1.00 0.00 C ATOM 877 O PRO A 62 -8.106 5.716 5.609 1.00 0.00 O ATOM 878 CB PRO A 62 -7.237 8.162 7.738 1.00 0.00 C ATOM 879 CG PRO A 62 -5.818 7.920 7.354 1.00 0.00 C ATOM 880 CD PRO A 62 -5.457 6.582 7.935 1.00 0.00 C ATOM 0 HA PRO A 62 -8.652 6.657 8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.733 8.821 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.306 8.641 8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.701 7.920 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.169 8.704 7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.729 6.058 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.019 6.680 8.928 1.00 0.00 H new ATOM 888 N PRO A 63 -9.745 7.143 6.199 1.00 0.00 N ATOM 889 CA PRO A 63 -10.518 6.963 4.966 1.00 0.00 C ATOM 890 C PRO A 63 -9.837 7.598 3.757 1.00 0.00 C ATOM 891 O PRO A 63 -9.348 8.725 3.828 1.00 0.00 O ATOM 892 CB PRO A 63 -11.839 7.672 5.268 1.00 0.00 C ATOM 893 CG PRO A 63 -11.494 8.694 6.294 1.00 0.00 C ATOM 894 CD PRO A 63 -10.392 8.095 7.123 1.00 0.00 C ATOM 0 HA PRO A 63 -10.633 5.910 4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.254 8.134 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.587 6.973 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.169 9.623 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.360 8.935 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.693 8.855 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.783 7.593 8.008 1.00 0.00 H new ATOM 902 N LYS A 64 -9.809 6.865 2.649 1.00 0.00 N ATOM 903 CA LYS A 64 -9.189 7.355 1.423 1.00 0.00 C ATOM 904 C LYS A 64 -7.703 7.634 1.637 1.00 0.00 C ATOM 905 O LYS A 64 -7.208 8.712 1.304 1.00 0.00 O ATOM 906 CB LYS A 64 -9.896 8.624 0.942 1.00 0.00 C ATOM 907 CG LYS A 64 -11.325 8.385 0.480 1.00 0.00 C ATOM 908 CD LYS A 64 -11.389 8.098 -1.011 1.00 0.00 C ATOM 909 CE LYS A 64 -11.262 6.611 -1.301 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.454 6.082 -2.020 1.00 0.00 N ATOM 0 H LYS A 64 -10.208 5.929 2.575 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.287 6.582 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.901 9.356 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.325 9.059 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.751 7.547 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.934 9.260 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.332 8.468 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.591 8.638 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.368 6.433 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.132 6.068 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.392 5.046 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.317 6.348 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.487 6.482 -2.979 1.00 0.00 H new ATOM 924 N PHE A 65 -6.996 6.657 2.194 1.00 0.00 N ATOM 925 CA PHE A 65 -5.569 6.797 2.452 1.00 0.00 C ATOM 926 C PHE A 65 -4.839 5.479 2.209 1.00 0.00 C ATOM 927 O PHE A 65 -3.822 5.439 1.518 1.00 0.00 O ATOM 928 CB PHE A 65 -5.331 7.271 3.888 1.00 0.00 C ATOM 929 CG PHE A 65 -5.155 8.757 4.007 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.217 9.615 3.772 1.00 0.00 C ATOM 931 CD2 PHE A 65 -3.926 9.296 4.355 1.00 0.00 C ATOM 932 CE1 PHE A 65 -6.058 10.984 3.881 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.760 10.664 4.464 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.828 11.509 4.227 1.00 0.00 C ATOM 0 H PHE A 65 -7.389 5.759 2.476 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.173 7.542 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.172 6.962 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.444 6.775 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.181 9.210 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.089 8.640 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.894 11.642 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.797 11.072 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.701 12.578 4.312 1.00 0.00 H new ATOM 944 N GLY A 66 -5.367 4.402 2.784 1.00 0.00 N ATOM 945 CA GLY A 66 -4.754 3.098 2.617 1.00 0.00 C ATOM 946 C GLY A 66 -4.975 2.525 1.231 1.00 0.00 C ATOM 947 O GLY A 66 -6.077 2.084 0.904 1.00 0.00 O ATOM 0 H GLY A 66 -6.208 4.410 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.684 3.176 2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.161 2.411 3.359 1.00 0.00 H new ATOM 951 N LEU A 67 -3.928 2.533 0.415 1.00 0.00 N ATOM 952 CA LEU A 67 -4.014 2.011 -0.945 1.00 0.00 C ATOM 953 C LEU A 67 -3.322 0.656 -1.053 1.00 0.00 C ATOM 954 O LEU A 67 -2.197 0.483 -0.583 1.00 0.00 O ATOM 955 CB LEU A 67 -3.386 2.997 -1.932 1.00 0.00 C ATOM 956 CG LEU A 67 -3.601 2.658 -3.410 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.536 3.668 -4.061 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.272 2.610 -4.148 1.00 0.00 C ATOM 0 H LEU A 67 -3.009 2.895 0.670 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.068 1.881 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.793 3.990 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.315 3.049 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.063 1.673 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.676 3.410 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.500 3.653 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.102 4.665 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.446 2.368 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.781 3.581 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.635 1.847 -3.701 1.00 0.00 H new ATOM 970 N PHE A 68 -4.002 -0.302 -1.676 1.00 0.00 N ATOM 971 CA PHE A 68 -3.452 -1.641 -1.847 1.00 0.00 C ATOM 972 C PHE A 68 -2.870 -1.816 -3.245 1.00 0.00 C ATOM 973 O PHE A 68 -3.550 -1.587 -4.245 1.00 0.00 O ATOM 974 CB PHE A 68 -4.534 -2.694 -1.598 1.00 0.00 C ATOM 975 CG PHE A 68 -4.905 -2.846 -0.150 1.00 0.00 C ATOM 976 CD1 PHE A 68 -4.090 -3.557 0.716 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.069 -2.278 0.343 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.429 -3.699 2.048 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.413 -2.417 1.674 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.591 -3.127 2.527 1.00 0.00 C ATOM 0 H PHE A 68 -4.934 -0.175 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.650 -1.773 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.425 -2.428 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.188 -3.655 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.180 -4.005 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.714 -1.721 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.786 -4.256 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.323 -1.971 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.857 -3.235 3.568 1.00 0.00 H new ATOM 990 N ALA A 69 -1.607 -2.224 -3.308 1.00 0.00 N ATOM 991 CA ALA A 69 -0.934 -2.430 -4.584 1.00 0.00 C ATOM 992 C ALA A 69 -0.022 -3.654 -4.532 1.00 0.00 C ATOM 993 O ALA A 69 0.577 -3.947 -3.497 1.00 0.00 O ATOM 994 CB ALA A 69 -0.136 -1.192 -4.965 1.00 0.00 C ATOM 0 H ALA A 69 -1.029 -2.418 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.695 -2.607 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.362 -1.360 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.808 -0.338 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.611 -0.990 -4.197 1.00 0.00 H new ATOM 1000 N PRO A 70 0.097 -4.388 -5.653 1.00 0.00 N ATOM 1001 CA PRO A 70 0.943 -5.584 -5.724 1.00 0.00 C ATOM 1002 C PRO A 70 2.377 -5.303 -5.291 1.00 0.00 C ATOM 1003 O PRO A 70 2.931 -4.246 -5.593 1.00 0.00 O ATOM 1004 CB PRO A 70 0.901 -5.968 -7.206 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.366 -5.376 -7.717 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.579 -4.112 -6.934 1.00 0.00 C ATOM 0 HA PRO A 70 0.590 -6.370 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.765 -5.575 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.912 -7.050 -7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.296 -5.166 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.200 -6.064 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.146 -3.248 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.639 -3.901 -6.792 1.00 0.00 H new ATOM 1014 N ILE A 71 2.974 -6.254 -4.580 1.00 0.00 N ATOM 1015 CA ILE A 71 4.343 -6.106 -4.104 1.00 0.00 C ATOM 1016 C ILE A 71 5.308 -5.869 -5.263 1.00 0.00 C ATOM 1017 O ILE A 71 6.151 -4.973 -5.207 1.00 0.00 O ATOM 1018 CB ILE A 71 4.798 -7.344 -3.304 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.201 -7.128 -2.733 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.763 -8.589 -4.179 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.445 -7.865 -1.435 1.00 0.00 C ATOM 0 H ILE A 71 2.530 -7.135 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 71 4.358 -5.237 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 71 4.107 -7.489 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.938 -7.451 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.358 -6.062 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.087 -9.452 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.747 -8.754 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.430 -8.454 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.459 -7.666 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.732 -7.525 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.320 -8.936 -1.596 1.00 0.00 H new ATOM 1033 N HIS A 72 5.179 -6.674 -6.312 1.00 0.00 N ATOM 1034 CA HIS A 72 6.041 -6.548 -7.482 1.00 0.00 C ATOM 1035 C HIS A 72 5.842 -5.199 -8.167 1.00 0.00 C ATOM 1036 O HIS A 72 6.719 -4.726 -8.891 1.00 0.00 O ATOM 1037 CB HIS A 72 5.763 -7.681 -8.472 1.00 0.00 C ATOM 1038 CG HIS A 72 4.325 -7.787 -8.876 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.409 -8.599 -8.246 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.648 -7.161 -9.872 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.231 -8.447 -8.865 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.322 -7.584 -9.860 1.00 0.00 N ATOM 0 H HIS A 72 4.487 -7.420 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 72 7.076 -6.613 -7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.372 -7.530 -9.364 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.077 -8.625 -8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.071 -6.448 -10.564 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.324 -8.963 -8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.576 -7.289 -10.489 1.00 0.00 H new ATOM 1050 N LYS A 73 4.686 -4.583 -7.937 1.00 0.00 N ATOM 1051 CA LYS A 73 4.379 -3.288 -8.534 1.00 0.00 C ATOM 1052 C LYS A 73 4.984 -2.148 -7.719 1.00 0.00 C ATOM 1053 O LYS A 73 5.223 -1.059 -8.241 1.00 0.00 O ATOM 1054 CB LYS A 73 2.865 -3.103 -8.647 1.00 0.00 C ATOM 1055 CG LYS A 73 2.253 -3.812 -9.844 1.00 0.00 C ATOM 1056 CD LYS A 73 2.129 -2.881 -11.040 1.00 0.00 C ATOM 1057 CE LYS A 73 2.321 -3.628 -12.350 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.373 -3.163 -13.400 1.00 0.00 N ATOM 0 H LYS A 73 3.948 -4.959 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 73 4.818 -3.265 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.393 -3.472 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.641 -2.038 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.868 -4.671 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.268 -4.196 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.148 -2.405 -11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.870 -2.086 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.345 -3.491 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.181 -4.696 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.537 -3.697 -14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.396 -3.317 -13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.523 -2.150 -13.579 1.00 0.00 H new ATOM 1072 N VAL A 74 5.227 -2.402 -6.436 1.00 0.00 N ATOM 1073 CA VAL A 74 5.801 -1.393 -5.555 1.00 0.00 C ATOM 1074 C VAL A 74 7.246 -1.088 -5.934 1.00 0.00 C ATOM 1075 O VAL A 74 8.027 -1.993 -6.227 1.00 0.00 O ATOM 1076 CB VAL A 74 5.753 -1.839 -4.082 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.194 -0.709 -3.165 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.356 -2.318 -3.716 1.00 0.00 C ATOM 0 H VAL A 74 5.035 -3.297 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 74 5.199 -0.492 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 74 6.445 -2.671 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.153 -1.044 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.215 -0.417 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.531 0.146 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.340 -2.629 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.643 -1.507 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.083 -3.161 -4.350 1.00 0.00 H new ATOM 1088 N ILE A 75 7.595 0.195 -5.926 1.00 0.00 N ATOM 1089 CA ILE A 75 8.946 0.623 -6.268 1.00 0.00 C ATOM 1090 C ILE A 75 9.610 1.331 -5.092 1.00 0.00 C ATOM 1091 O ILE A 75 9.204 2.427 -4.705 1.00 0.00 O ATOM 1092 CB ILE A 75 8.947 1.565 -7.486 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.112 0.969 -8.621 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.371 1.830 -7.950 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.778 1.961 -9.712 1.00 0.00 C ATOM 0 H ILE A 75 6.960 0.956 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 75 9.510 -0.277 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 75 8.499 2.514 -7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.654 0.130 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.185 0.570 -8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.355 2.497 -8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.936 2.294 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.844 0.888 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.185 1.468 -10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.208 2.789 -9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.700 2.342 -10.152 1.00 0.00 H new ATOM 1107 N ARG A 76 10.634 0.698 -4.528 1.00 0.00 N ATOM 1108 CA ARG A 76 11.355 1.269 -3.396 1.00 0.00 C ATOM 1109 C ARG A 76 11.974 2.613 -3.768 1.00 0.00 C ATOM 1110 O ARG A 76 12.702 2.720 -4.755 1.00 0.00 O ATOM 1111 CB ARG A 76 12.442 0.304 -2.919 1.00 0.00 C ATOM 1112 CG ARG A 76 12.523 0.181 -1.405 1.00 0.00 C ATOM 1113 CD ARG A 76 12.614 -1.272 -0.966 1.00 0.00 C ATOM 1114 NE ARG A 76 13.986 -1.771 -1.009 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.382 -2.903 -0.430 1.00 0.00 C ATOM 1116 NH1 ARG A 76 13.514 -3.654 0.236 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.649 -3.284 -0.518 1.00 0.00 N ATOM 0 H ARG A 76 10.983 -0.210 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 76 10.644 1.431 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.255 -0.681 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.407 0.639 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.393 0.727 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.645 0.644 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.224 -1.370 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.985 -1.886 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 76 14.682 -1.220 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.538 -3.365 0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.823 -4.520 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.320 -2.710 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.953 -4.151 -0.075 1.00 0.00 H new ATOM 1131 N ILE A 77 11.679 3.634 -2.971 1.00 0.00 N ATOM 1132 CA ILE A 77 12.206 4.971 -3.217 1.00 0.00 C ATOM 1133 C ILE A 77 12.802 5.569 -1.947 1.00 0.00 C ATOM 1134 O ILE A 77 12.079 5.924 -1.017 1.00 0.00 O ATOM 1135 CB ILE A 77 11.113 5.917 -3.750 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.865 5.845 -2.864 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.769 5.567 -5.191 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.390 7.197 -2.381 1.00 0.00 C ATOM 0 H ILE A 77 11.078 3.561 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 77 12.987 4.869 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 77 11.493 6.938 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.061 5.364 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.077 5.214 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.995 6.243 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.659 5.666 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.406 4.541 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.503 7.070 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.178 7.672 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.146 7.824 -3.238 1.00 0.00 H new