USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 66:sc= 0.602 USER MOD Single : A 10 SER OG : rot -116:sc= 0.686 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -91:sc= -0.0237 (180deg=-0.262) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 146:sc= 1.12 USER MOD Single : A 26 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.63) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 33 TYR OH : rot 15:sc= -3.09! USER MOD Single : A 36 MET CE :methyl 164:sc= 0 (180deg=-0.166) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.079) USER MOD Single : A 48 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.98) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 11:sc= -3.43! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.783 -2.090 -8.628 1.00 0.00 N ATOM 76 CA THR A 6 4.407 -2.204 -7.314 1.00 0.00 C ATOM 77 C THR A 6 4.242 -0.914 -6.515 1.00 0.00 C ATOM 78 O THR A 6 5.188 -0.434 -5.890 1.00 0.00 O ATOM 79 CB THR A 6 5.892 -2.541 -7.460 1.00 0.00 C ATOM 80 OG1 THR A 6 6.625 -1.405 -7.883 1.00 0.00 O ATOM 81 CG2 THR A 6 6.159 -3.654 -8.450 1.00 0.00 C ATOM 0 HA THR A 6 3.909 -3.009 -6.773 1.00 0.00 H new ATOM 0 HB THR A 6 6.211 -2.872 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.611 -0.725 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.231 -3.842 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.648 -4.560 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.791 -3.362 -9.434 1.00 0.00 H new ATOM 89 N VAL A 7 3.035 -0.359 -6.538 1.00 0.00 N ATOM 90 CA VAL A 7 2.749 0.874 -5.815 1.00 0.00 C ATOM 91 C VAL A 7 1.313 0.892 -5.298 1.00 0.00 C ATOM 92 O VAL A 7 0.518 0.007 -5.613 1.00 0.00 O ATOM 93 CB VAL A 7 2.993 2.109 -6.697 1.00 0.00 C ATOM 94 CG1 VAL A 7 4.368 2.043 -7.344 1.00 0.00 C ATOM 95 CG2 VAL A 7 1.907 2.221 -7.741 1.00 0.00 C ATOM 0 H VAL A 7 2.240 -0.743 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 7 3.430 0.910 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 7 2.963 3.001 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.521 2.926 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.133 2.007 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.436 1.149 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.088 3.099 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.910 1.328 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.939 2.317 -7.250 1.00 0.00 H new ATOM 105 N LEU A 8 0.987 1.908 -4.505 1.00 0.00 N ATOM 106 CA LEU A 8 -0.352 2.043 -3.947 1.00 0.00 C ATOM 107 C LEU A 8 -0.711 3.513 -3.766 1.00 0.00 C ATOM 108 O LEU A 8 0.105 4.308 -3.300 1.00 0.00 O ATOM 109 CB LEU A 8 -0.447 1.311 -2.606 1.00 0.00 C ATOM 110 CG LEU A 8 -1.763 0.569 -2.364 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.947 1.504 -2.558 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.873 -0.633 -3.290 1.00 0.00 C ATOM 0 H LEU A 8 1.633 2.650 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.060 1.594 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.373 0.596 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.303 2.035 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.774 0.213 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.874 0.959 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.875 2.333 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.942 1.891 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.815 -1.150 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.841 -0.298 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.043 -1.314 -3.103 1.00 0.00 H new ATOM 124 N ARG A 9 -1.935 3.870 -4.144 1.00 0.00 N ATOM 125 CA ARG A 9 -2.399 5.247 -4.030 1.00 0.00 C ATOM 126 C ARG A 9 -3.896 5.294 -3.744 1.00 0.00 C ATOM 127 O ARG A 9 -4.659 4.462 -4.235 1.00 0.00 O ATOM 128 CB ARG A 9 -2.093 6.017 -5.318 1.00 0.00 C ATOM 129 CG ARG A 9 -0.633 6.422 -5.455 1.00 0.00 C ATOM 130 CD ARG A 9 -0.005 5.845 -6.713 1.00 0.00 C ATOM 131 NE ARG A 9 1.395 6.238 -6.856 1.00 0.00 N ATOM 132 CZ ARG A 9 2.376 5.783 -6.080 1.00 0.00 C ATOM 133 NH1 ARG A 9 2.118 4.914 -5.111 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.621 6.197 -6.275 1.00 0.00 N ATOM 0 H ARG A 9 -2.623 3.224 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.872 5.714 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.372 5.402 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.714 6.912 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.557 7.509 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.077 6.081 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.075 4.758 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.567 6.180 -7.585 1.00 0.00 H new ATOM 0 HE ARG A 9 1.635 6.900 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.163 4.590 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.875 4.569 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.826 6.864 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.373 5.849 -5.681 1.00 0.00 H new ATOM 148 N SER A 10 -4.309 6.272 -2.944 1.00 0.00 N ATOM 149 CA SER A 10 -5.715 6.427 -2.590 1.00 0.00 C ATOM 150 C SER A 10 -6.540 6.857 -3.801 1.00 0.00 C ATOM 151 O SER A 10 -6.081 7.648 -4.625 1.00 0.00 O ATOM 152 CB SER A 10 -5.868 7.452 -1.464 1.00 0.00 C ATOM 153 OG SER A 10 -7.206 7.506 -1.002 1.00 0.00 O ATOM 0 H SER A 10 -3.690 6.969 -2.529 1.00 0.00 H new ATOM 0 HA SER A 10 -6.085 5.461 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.205 7.192 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.563 8.436 -1.820 1.00 0.00 H new ATOM 0 HG SER A 10 -7.579 8.394 -1.183 1.00 0.00 H new ATOM 159 N PRO A 11 -7.776 6.341 -3.926 1.00 0.00 N ATOM 160 CA PRO A 11 -8.663 6.679 -5.043 1.00 0.00 C ATOM 161 C PRO A 11 -9.250 8.081 -4.913 1.00 0.00 C ATOM 162 O PRO A 11 -9.630 8.699 -5.908 1.00 0.00 O ATOM 163 CB PRO A 11 -9.766 5.627 -4.944 1.00 0.00 C ATOM 164 CG PRO A 11 -9.818 5.273 -3.498 1.00 0.00 C ATOM 165 CD PRO A 11 -8.407 5.391 -2.988 1.00 0.00 C ATOM 0 HA PRO A 11 -8.138 6.679 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.722 6.021 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.539 4.755 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.485 5.943 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.200 4.262 -3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.381 5.762 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.898 4.427 -2.991 1.00 0.00 H new ATOM 173 N SER A 12 -9.321 8.578 -3.682 1.00 0.00 N ATOM 174 CA SER A 12 -9.862 9.907 -3.424 1.00 0.00 C ATOM 175 C SER A 12 -9.256 10.504 -2.158 1.00 0.00 C ATOM 176 O SER A 12 -8.377 9.907 -1.537 1.00 0.00 O ATOM 177 CB SER A 12 -11.385 9.843 -3.294 1.00 0.00 C ATOM 178 OG SER A 12 -11.774 8.920 -2.291 1.00 0.00 O ATOM 0 H SER A 12 -9.011 8.080 -2.848 1.00 0.00 H new ATOM 0 HA SER A 12 -9.603 10.548 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.774 10.832 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.823 9.553 -4.249 1.00 0.00 H new ATOM 0 HG SER A 12 -12.752 8.899 -2.227 1.00 0.00 H new ATOM 184 N ALA A 13 -9.732 11.687 -1.780 1.00 0.00 N ATOM 185 CA ALA A 13 -9.235 12.364 -0.589 1.00 0.00 C ATOM 186 C ALA A 13 -9.790 11.726 0.680 1.00 0.00 C ATOM 187 O ALA A 13 -10.981 11.833 0.971 1.00 0.00 O ATOM 188 CB ALA A 13 -9.591 13.843 -0.637 1.00 0.00 C ATOM 0 H ALA A 13 -10.460 12.195 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.150 12.261 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.214 14.337 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.140 14.297 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.674 13.955 -0.685 1.00 0.00 H new ATOM 194 N GLY A 14 -8.918 11.062 1.432 1.00 0.00 N ATOM 195 CA GLY A 14 -9.339 10.416 2.662 1.00 0.00 C ATOM 196 C GLY A 14 -8.435 10.754 3.832 1.00 0.00 C ATOM 197 O GLY A 14 -7.893 11.857 3.908 1.00 0.00 O ATOM 0 H GLY A 14 -7.927 10.960 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.360 10.717 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.351 9.336 2.516 1.00 0.00 H new ATOM 201 N LYS A 15 -8.273 9.802 4.744 1.00 0.00 N ATOM 202 CA LYS A 15 -7.430 10.000 5.917 1.00 0.00 C ATOM 203 C LYS A 15 -7.066 8.663 6.552 1.00 0.00 C ATOM 204 O LYS A 15 -7.911 7.779 6.679 1.00 0.00 O ATOM 205 CB LYS A 15 -8.139 10.889 6.940 1.00 0.00 C ATOM 206 CG LYS A 15 -7.199 11.512 7.959 1.00 0.00 C ATOM 207 CD LYS A 15 -7.365 10.880 9.332 1.00 0.00 C ATOM 208 CE LYS A 15 -8.519 11.507 10.098 1.00 0.00 C ATOM 209 NZ LYS A 15 -9.743 10.661 10.048 1.00 0.00 N ATOM 0 H LYS A 15 -8.715 8.884 4.693 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.513 10.493 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.669 11.683 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.890 10.298 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.168 11.393 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.391 12.583 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.539 9.810 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.443 10.997 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.225 11.659 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.740 12.490 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.325 10.940 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.471 9.662 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.290 10.790 10.923 1.00 0.00 H new ATOM 223 N LEU A 16 -5.805 8.522 6.946 1.00 0.00 N ATOM 224 CA LEU A 16 -5.331 7.288 7.564 1.00 0.00 C ATOM 225 C LEU A 16 -5.967 7.082 8.935 1.00 0.00 C ATOM 226 O LEU A 16 -5.508 7.638 9.933 1.00 0.00 O ATOM 227 CB LEU A 16 -3.807 7.317 7.698 1.00 0.00 C ATOM 228 CG LEU A 16 -3.135 5.945 7.798 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.580 5.047 6.654 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.621 6.095 7.802 1.00 0.00 C ATOM 0 H LEU A 16 -5.093 9.246 6.849 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.621 6.456 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.393 7.845 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.547 7.896 8.584 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.438 5.480 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.092 4.076 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.661 4.914 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.306 5.506 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.158 5.111 7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.301 6.580 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.318 6.702 8.655 1.00 0.00 H new ATOM 242 N THR A 17 -7.026 6.279 8.975 1.00 0.00 N ATOM 243 CA THR A 17 -7.725 5.999 10.224 1.00 0.00 C ATOM 244 C THR A 17 -6.947 4.998 11.076 1.00 0.00 C ATOM 245 O THR A 17 -6.898 5.119 12.300 1.00 0.00 O ATOM 246 CB THR A 17 -9.133 5.466 9.940 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.897 5.412 11.131 1.00 0.00 O ATOM 248 CG2 THR A 17 -9.143 4.083 9.326 1.00 0.00 C ATOM 0 H THR A 17 -7.418 5.811 8.158 1.00 0.00 H new ATOM 0 HA THR A 17 -7.805 6.933 10.781 1.00 0.00 H new ATOM 0 HB THR A 17 -9.564 6.164 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.793 5.071 10.930 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.172 3.770 9.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.604 4.102 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.659 3.380 10.004 1.00 0.00 H new ATOM 256 N GLN A 18 -6.342 4.009 10.423 1.00 0.00 N ATOM 257 CA GLN A 18 -5.571 2.989 11.126 1.00 0.00 C ATOM 258 C GLN A 18 -4.728 2.173 10.147 1.00 0.00 C ATOM 259 O GLN A 18 -4.458 2.616 9.030 1.00 0.00 O ATOM 260 CB GLN A 18 -6.511 2.070 11.911 1.00 0.00 C ATOM 261 CG GLN A 18 -5.983 1.690 13.285 1.00 0.00 C ATOM 262 CD GLN A 18 -7.051 1.757 14.359 1.00 0.00 C ATOM 263 OE1 GLN A 18 -7.428 2.838 14.809 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.544 0.596 14.777 1.00 0.00 N ATOM 0 H GLN A 18 -6.371 3.893 9.410 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.896 3.486 11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.476 2.563 12.026 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.684 1.162 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.574 0.680 13.247 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.162 2.356 13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.202 -0.277 14.376 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.264 0.578 15.499 1.00 0.00 H new ATOM 273 N TYR A 19 -4.313 0.981 10.570 1.00 0.00 N ATOM 274 CA TYR A 19 -3.502 0.109 9.727 1.00 0.00 C ATOM 275 C TYR A 19 -3.765 -1.358 10.053 1.00 0.00 C ATOM 276 O TYR A 19 -3.931 -1.726 11.216 1.00 0.00 O ATOM 277 CB TYR A 19 -2.017 0.427 9.908 1.00 0.00 C ATOM 278 CG TYR A 19 -1.516 0.207 11.317 1.00 0.00 C ATOM 279 CD1 TYR A 19 -1.175 -1.064 11.764 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.385 1.270 12.202 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.717 -1.268 13.052 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.928 1.074 13.491 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.595 -0.197 13.911 1.00 0.00 C ATOM 284 OH TYR A 19 -0.140 -0.396 15.194 1.00 0.00 O ATOM 0 H TYR A 19 -4.525 0.598 11.491 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.779 0.287 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.436 -0.192 9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.840 1.465 9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.269 -1.906 11.094 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.645 2.267 11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.456 -2.262 13.384 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.832 1.911 14.166 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.112 0.461 15.668 1.00 0.00 H new ATOM 294 N THR A 20 -3.806 -2.190 9.018 1.00 0.00 N ATOM 295 CA THR A 20 -4.055 -3.617 9.190 1.00 0.00 C ATOM 296 C THR A 20 -2.749 -4.406 9.251 1.00 0.00 C ATOM 297 O THR A 20 -2.724 -5.540 9.731 1.00 0.00 O ATOM 298 CB THR A 20 -4.927 -4.143 8.049 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.165 -4.294 6.865 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.101 -3.244 7.729 1.00 0.00 C ATOM 0 H THR A 20 -3.670 -1.900 8.050 1.00 0.00 H new ATOM 0 HA THR A 20 -4.578 -3.752 10.136 1.00 0.00 H new ATOM 0 HB THR A 20 -5.310 -5.102 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.493 -5.068 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.678 -3.676 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.736 -3.148 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.736 -2.260 7.436 1.00 0.00 H new ATOM 308 N VAL A 21 -1.667 -3.808 8.762 1.00 0.00 N ATOM 309 CA VAL A 21 -0.367 -4.468 8.764 1.00 0.00 C ATOM 310 C VAL A 21 0.769 -3.459 8.886 1.00 0.00 C ATOM 311 O VAL A 21 0.666 -2.330 8.405 1.00 0.00 O ATOM 312 CB VAL A 21 -0.161 -5.303 7.487 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.167 -6.442 7.425 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.261 -4.424 6.250 1.00 0.00 C ATOM 0 H VAL A 21 -1.665 -2.870 8.361 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.352 -5.129 9.631 1.00 0.00 H new ATOM 0 HB VAL A 21 0.839 -5.735 7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.006 -7.021 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.039 -7.088 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.178 -6.035 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.113 -5.033 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.246 -3.959 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.504 -3.649 6.292 1.00 0.00 H new ATOM 324 N GLU A 22 1.852 -3.876 9.533 1.00 0.00 N ATOM 325 CA GLU A 22 3.013 -3.014 9.722 1.00 0.00 C ATOM 326 C GLU A 22 3.711 -2.738 8.395 1.00 0.00 C ATOM 327 O GLU A 22 3.252 -3.173 7.339 1.00 0.00 O ATOM 328 CB GLU A 22 3.995 -3.659 10.700 1.00 0.00 C ATOM 329 CG GLU A 22 4.582 -4.969 10.196 1.00 0.00 C ATOM 330 CD GLU A 22 4.376 -6.115 11.168 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.559 -5.901 12.385 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.032 -7.225 10.713 1.00 0.00 O ATOM 0 H GLU A 22 1.950 -4.808 9.936 1.00 0.00 H new ATOM 0 HA GLU A 22 2.666 -2.066 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.807 -2.960 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.487 -3.839 11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.125 -5.223 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.649 -4.839 10.015 1.00 0.00 H new ATOM 339 N ASP A 23 4.825 -2.016 8.458 1.00 0.00 N ATOM 340 CA ASP A 23 5.590 -1.685 7.261 1.00 0.00 C ATOM 341 C ASP A 23 6.059 -2.952 6.553 1.00 0.00 C ATOM 342 O ASP A 23 6.545 -3.887 7.190 1.00 0.00 O ATOM 343 CB ASP A 23 6.793 -0.813 7.623 1.00 0.00 C ATOM 344 CG ASP A 23 7.749 -1.511 8.571 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.378 -1.714 9.746 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.869 -1.856 8.138 1.00 0.00 O ATOM 0 H ASP A 23 5.218 -1.649 9.325 1.00 0.00 H new ATOM 0 HA ASP A 23 4.940 -1.129 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.325 -0.537 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.443 0.112 8.081 1.00 0.00 H new ATOM 351 N GLY A 24 5.909 -2.978 5.233 1.00 0.00 N ATOM 352 CA GLY A 24 6.320 -4.138 4.465 1.00 0.00 C ATOM 353 C GLY A 24 5.497 -5.368 4.792 1.00 0.00 C ATOM 354 O GLY A 24 5.973 -6.496 4.659 1.00 0.00 O ATOM 0 H GLY A 24 5.511 -2.218 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.231 -3.917 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.372 -4.346 4.660 1.00 0.00 H new ATOM 358 N GLY A 25 4.257 -5.152 5.223 1.00 0.00 N ATOM 359 CA GLY A 25 3.385 -6.260 5.564 1.00 0.00 C ATOM 360 C GLY A 25 2.997 -7.087 4.354 1.00 0.00 C ATOM 361 O GLY A 25 2.300 -6.603 3.462 1.00 0.00 O ATOM 0 H GLY A 25 3.841 -4.228 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.883 -6.900 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.484 -5.875 6.041 1.00 0.00 H new ATOM 365 N HIS A 26 3.448 -8.337 4.322 1.00 0.00 N ATOM 366 CA HIS A 26 3.144 -9.231 3.210 1.00 0.00 C ATOM 367 C HIS A 26 1.644 -9.477 3.101 1.00 0.00 C ATOM 368 O HIS A 26 1.016 -9.976 4.035 1.00 0.00 O ATOM 369 CB HIS A 26 3.880 -10.562 3.381 1.00 0.00 C ATOM 370 CG HIS A 26 3.690 -11.182 4.731 1.00 0.00 C ATOM 371 ND1 HIS A 26 2.699 -12.101 5.004 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.372 -11.011 5.889 1.00 0.00 C ATOM 373 CE1 HIS A 26 2.779 -12.468 6.271 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.786 -11.822 6.829 1.00 0.00 N ATOM 0 H HIS A 26 4.025 -8.754 5.053 1.00 0.00 H new ATOM 0 HA HIS A 26 3.482 -8.752 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.534 -11.260 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.945 -10.404 3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.219 -10.359 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.131 -13.176 6.766 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.081 -11.911 7.801 1.00 0.00 H new ATOM 383 N VAL A 27 1.075 -9.124 1.953 1.00 0.00 N ATOM 384 CA VAL A 27 -0.353 -9.307 1.721 1.00 0.00 C ATOM 385 C VAL A 27 -0.641 -9.628 0.257 1.00 0.00 C ATOM 386 O VAL A 27 -0.086 -9.002 -0.646 1.00 0.00 O ATOM 387 CB VAL A 27 -1.155 -8.056 2.129 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.976 -7.767 3.612 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.742 -6.855 1.291 1.00 0.00 C ATOM 0 H VAL A 27 1.580 -8.710 1.170 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.665 -10.148 2.340 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.211 -8.250 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.550 -6.880 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.329 -8.618 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.079 -7.595 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.320 -5.983 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.319 -6.656 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.929 -7.065 0.238 1.00 0.00 H new ATOM 399 N GLU A 28 -1.513 -10.604 0.031 1.00 0.00 N ATOM 400 CA GLU A 28 -1.878 -11.004 -1.323 1.00 0.00 C ATOM 401 C GLU A 28 -2.992 -10.115 -1.868 1.00 0.00 C ATOM 402 O GLU A 28 -3.667 -9.416 -1.113 1.00 0.00 O ATOM 403 CB GLU A 28 -2.317 -12.470 -1.345 1.00 0.00 C ATOM 404 CG GLU A 28 -3.642 -12.722 -0.641 1.00 0.00 C ATOM 405 CD GLU A 28 -3.518 -13.705 0.506 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.898 -13.347 1.530 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.039 -14.833 0.381 1.00 0.00 O ATOM 0 H GLU A 28 -1.980 -11.133 0.768 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.001 -10.889 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.397 -12.801 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.544 -13.079 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.033 -11.777 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.366 -13.101 -1.363 1.00 0.00 H new ATOM 414 N ALA A 29 -3.181 -10.149 -3.184 1.00 0.00 N ATOM 415 CA ALA A 29 -4.216 -9.347 -3.832 1.00 0.00 C ATOM 416 C ALA A 29 -5.555 -9.478 -3.111 1.00 0.00 C ATOM 417 O ALA A 29 -6.055 -10.585 -2.907 1.00 0.00 O ATOM 418 CB ALA A 29 -4.359 -9.752 -5.291 1.00 0.00 C ATOM 0 H ALA A 29 -2.631 -10.723 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.911 -8.302 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.133 -9.147 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.412 -9.595 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.635 -10.805 -5.351 1.00 0.00 H new ATOM 424 N GLY A 30 -6.131 -8.343 -2.731 1.00 0.00 N ATOM 425 CA GLY A 30 -7.406 -8.354 -2.039 1.00 0.00 C ATOM 426 C GLY A 30 -7.260 -8.158 -0.542 1.00 0.00 C ATOM 427 O GLY A 30 -8.180 -7.677 0.119 1.00 0.00 O ATOM 0 H GLY A 30 -5.738 -7.415 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.042 -7.567 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.911 -9.301 -2.230 1.00 0.00 H new ATOM 431 N SER A 31 -6.102 -8.531 -0.007 1.00 0.00 N ATOM 432 CA SER A 31 -5.843 -8.393 1.422 1.00 0.00 C ATOM 433 C SER A 31 -5.657 -6.927 1.801 1.00 0.00 C ATOM 434 O SER A 31 -4.846 -6.219 1.205 1.00 0.00 O ATOM 435 CB SER A 31 -4.602 -9.195 1.817 1.00 0.00 C ATOM 436 OG SER A 31 -4.888 -10.582 1.877 1.00 0.00 O ATOM 0 H SER A 31 -5.329 -8.930 -0.540 1.00 0.00 H new ATOM 0 HA SER A 31 -6.706 -8.783 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.805 -9.016 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.238 -8.853 2.786 1.00 0.00 H new ATOM 0 HG SER A 31 -4.078 -11.072 2.130 1.00 0.00 H new ATOM 442 N SER A 32 -6.416 -6.478 2.796 1.00 0.00 N ATOM 443 CA SER A 32 -6.336 -5.097 3.254 1.00 0.00 C ATOM 444 C SER A 32 -4.986 -4.815 3.906 1.00 0.00 C ATOM 445 O SER A 32 -4.475 -5.628 4.677 1.00 0.00 O ATOM 446 CB SER A 32 -7.466 -4.799 4.241 1.00 0.00 C ATOM 447 OG SER A 32 -7.714 -5.911 5.084 1.00 0.00 O ATOM 0 H SER A 32 -7.093 -7.051 3.300 1.00 0.00 H new ATOM 0 HA SER A 32 -6.441 -4.447 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.205 -3.931 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.373 -4.544 3.693 1.00 0.00 H new ATOM 0 HG SER A 32 -8.439 -5.694 5.707 1.00 0.00 H new ATOM 453 N TYR A 33 -4.414 -3.658 3.590 1.00 0.00 N ATOM 454 CA TYR A 33 -3.122 -3.265 4.144 1.00 0.00 C ATOM 455 C TYR A 33 -3.262 -2.060 5.075 1.00 0.00 C ATOM 456 O TYR A 33 -2.334 -1.722 5.809 1.00 0.00 O ATOM 457 CB TYR A 33 -2.138 -2.942 3.016 1.00 0.00 C ATOM 458 CG TYR A 33 -2.482 -1.686 2.247 1.00 0.00 C ATOM 459 CD1 TYR A 33 -2.120 -0.434 2.727 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.168 -1.753 1.040 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.431 0.716 2.028 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.483 -0.607 0.335 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.112 0.625 0.833 1.00 0.00 C ATOM 464 OH TYR A 33 -3.423 1.768 0.133 1.00 0.00 O ATOM 0 H TYR A 33 -4.824 -2.975 2.953 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.738 -4.103 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.138 -2.836 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.105 -3.783 2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.586 -0.358 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.459 -2.716 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.142 1.682 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.017 -0.675 -0.601 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.897 2.518 0.481 1.00 0.00 H new ATOM 474 N ALA A 34 -4.425 -1.416 5.039 1.00 0.00 N ATOM 475 CA ALA A 34 -4.684 -0.253 5.876 1.00 0.00 C ATOM 476 C ALA A 34 -6.143 0.169 5.777 1.00 0.00 C ATOM 477 O ALA A 34 -6.952 -0.508 5.142 1.00 0.00 O ATOM 478 CB ALA A 34 -3.771 0.898 5.480 1.00 0.00 C ATOM 0 H ALA A 34 -5.204 -1.682 4.437 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.476 -0.523 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.976 1.760 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.731 0.596 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.951 1.163 4.438 1.00 0.00 H new ATOM 484 N GLU A 35 -6.476 1.288 6.408 1.00 0.00 N ATOM 485 CA GLU A 35 -7.843 1.792 6.390 1.00 0.00 C ATOM 486 C GLU A 35 -7.860 3.315 6.384 1.00 0.00 C ATOM 487 O GLU A 35 -6.940 3.960 6.888 1.00 0.00 O ATOM 488 CB GLU A 35 -8.621 1.270 7.601 1.00 0.00 C ATOM 489 CG GLU A 35 -8.315 -0.178 7.950 1.00 0.00 C ATOM 490 CD GLU A 35 -9.470 -0.866 8.651 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.270 -0.164 9.306 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.576 -2.106 8.545 1.00 0.00 O ATOM 0 H GLU A 35 -5.820 1.862 6.937 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.321 1.435 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.396 1.897 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.689 1.369 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.071 -0.724 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.433 -0.215 8.589 1.00 0.00 H new ATOM 499 N MET A 36 -8.915 3.885 5.814 1.00 0.00 N ATOM 500 CA MET A 36 -9.058 5.332 5.747 1.00 0.00 C ATOM 501 C MET A 36 -10.530 5.729 5.739 1.00 0.00 C ATOM 502 O MET A 36 -11.301 5.274 4.894 1.00 0.00 O ATOM 503 CB MET A 36 -8.354 5.884 4.503 1.00 0.00 C ATOM 504 CG MET A 36 -9.042 5.523 3.196 1.00 0.00 C ATOM 505 SD MET A 36 -10.207 6.787 2.652 1.00 0.00 S ATOM 506 CE MET A 36 -10.684 6.141 1.052 1.00 0.00 C ATOM 0 H MET A 36 -9.684 3.365 5.391 1.00 0.00 H new ATOM 0 HA MET A 36 -8.590 5.761 6.633 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.294 6.969 4.583 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.331 5.509 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.289 5.372 2.423 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.569 4.577 3.317 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.592 6.640 0.714 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.883 6.320 0.334 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.867 5.069 1.132 1.00 0.00 H new ATOM 516 N GLU A 37 -10.914 6.576 6.686 1.00 0.00 N ATOM 517 CA GLU A 37 -12.295 7.029 6.790 1.00 0.00 C ATOM 518 C GLU A 37 -12.519 8.289 5.961 1.00 0.00 C ATOM 519 O GLU A 37 -11.569 8.966 5.569 1.00 0.00 O ATOM 520 CB GLU A 37 -12.659 7.295 8.252 1.00 0.00 C ATOM 521 CG GLU A 37 -14.156 7.369 8.502 1.00 0.00 C ATOM 522 CD GLU A 37 -14.513 7.167 9.962 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.897 6.294 10.609 1.00 0.00 O ATOM 524 OE2 GLU A 37 -15.410 7.881 10.458 1.00 0.00 O ATOM 0 H GLU A 37 -10.289 6.963 7.393 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.939 6.241 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.234 6.506 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.200 8.232 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.529 8.338 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.659 6.612 7.900 1.00 0.00 H new ATOM 531 N VAL A 38 -13.784 8.595 5.699 1.00 0.00 N ATOM 532 CA VAL A 38 -14.141 9.773 4.916 1.00 0.00 C ATOM 533 C VAL A 38 -15.439 10.387 5.431 1.00 0.00 C ATOM 534 O VAL A 38 -16.100 9.821 6.301 1.00 0.00 O ATOM 535 CB VAL A 38 -14.303 9.434 3.418 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.999 10.651 2.557 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.410 8.265 3.024 1.00 0.00 C ATOM 0 H VAL A 38 -14.581 8.044 6.017 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.326 10.489 5.026 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.339 9.141 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.119 10.392 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.686 11.458 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.974 10.977 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.543 8.046 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.368 8.523 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.679 7.387 3.612 1.00 0.00 H new ATOM 547 N MET A 39 -15.802 11.547 4.891 1.00 0.00 N ATOM 548 CA MET A 39 -17.022 12.230 5.304 1.00 0.00 C ATOM 549 C MET A 39 -18.239 11.334 5.099 1.00 0.00 C ATOM 550 O MET A 39 -19.221 11.424 5.837 1.00 0.00 O ATOM 551 CB MET A 39 -17.194 13.532 4.519 1.00 0.00 C ATOM 552 CG MET A 39 -15.920 14.354 4.417 1.00 0.00 C ATOM 553 SD MET A 39 -16.231 16.129 4.475 1.00 0.00 S ATOM 554 CE MET A 39 -15.787 16.606 2.807 1.00 0.00 C ATOM 0 H MET A 39 -15.270 12.032 4.168 1.00 0.00 H new ATOM 0 HA MET A 39 -16.938 12.464 6.365 1.00 0.00 H new ATOM 0 HB2 MET A 39 -17.546 13.297 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 39 -17.968 14.134 4.995 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.249 14.080 5.231 1.00 0.00 H new ATOM 0 HG3 MET A 39 -15.408 14.109 3.486 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.926 17.680 2.686 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.743 16.353 2.622 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.421 16.076 2.096 1.00 0.00 H new ATOM 564 N LYS A 40 -18.165 10.466 4.096 1.00 0.00 N ATOM 565 CA LYS A 40 -19.257 9.548 3.799 1.00 0.00 C ATOM 566 C LYS A 40 -19.261 8.378 4.778 1.00 0.00 C ATOM 567 O LYS A 40 -20.114 8.299 5.662 1.00 0.00 O ATOM 568 CB LYS A 40 -19.138 9.028 2.365 1.00 0.00 C ATOM 569 CG LYS A 40 -19.566 10.039 1.314 1.00 0.00 C ATOM 570 CD LYS A 40 -21.060 9.963 1.043 1.00 0.00 C ATOM 571 CE LYS A 40 -21.455 10.827 -0.143 1.00 0.00 C ATOM 572 NZ LYS A 40 -21.074 10.201 -1.439 1.00 0.00 N ATOM 0 H LYS A 40 -17.360 10.379 3.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -20.196 10.091 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.104 8.737 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.746 8.129 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.306 11.044 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.018 9.858 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.344 8.928 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.608 10.285 1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -22.531 10.998 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.976 11.802 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.435 10.780 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.038 10.139 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.482 9.246 -1.497 1.00 0.00 H new ATOM 586 N MET A 41 -18.300 7.474 4.614 1.00 0.00 N ATOM 587 CA MET A 41 -18.191 6.309 5.484 1.00 0.00 C ATOM 588 C MET A 41 -16.744 5.832 5.574 1.00 0.00 C ATOM 589 O MET A 41 -15.845 6.431 4.984 1.00 0.00 O ATOM 590 CB MET A 41 -19.082 5.177 4.969 1.00 0.00 C ATOM 591 CG MET A 41 -20.567 5.438 5.159 1.00 0.00 C ATOM 592 SD MET A 41 -21.022 5.640 6.892 1.00 0.00 S ATOM 593 CE MET A 41 -22.729 6.158 6.736 1.00 0.00 C ATOM 0 H MET A 41 -17.586 7.526 3.887 1.00 0.00 H new ATOM 0 HA MET A 41 -18.523 6.598 6.481 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.882 5.022 3.909 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.815 4.253 5.483 1.00 0.00 H new ATOM 0 HG2 MET A 41 -20.848 6.335 4.607 1.00 0.00 H new ATOM 0 HG3 MET A 41 -21.135 4.611 4.733 1.00 0.00 H new ATOM 0 HE1 MET A 41 -23.151 6.323 7.727 1.00 0.00 H new ATOM 0 HE2 MET A 41 -22.777 7.083 6.162 1.00 0.00 H new ATOM 0 HE3 MET A 41 -23.299 5.383 6.223 1.00 0.00 H new ATOM 603 N ILE A 42 -16.529 4.749 6.312 1.00 0.00 N ATOM 604 CA ILE A 42 -15.193 4.188 6.476 1.00 0.00 C ATOM 605 C ILE A 42 -14.827 3.307 5.285 1.00 0.00 C ATOM 606 O ILE A 42 -15.697 2.698 4.662 1.00 0.00 O ATOM 607 CB ILE A 42 -15.089 3.359 7.773 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.684 2.771 7.929 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.133 2.253 7.779 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.590 3.816 7.974 1.00 0.00 C ATOM 0 H ILE A 42 -17.263 4.242 6.806 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.496 5.024 6.536 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.278 4.020 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.647 2.179 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.490 2.090 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.047 1.677 8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.129 2.692 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.972 1.596 6.924 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.623 3.326 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.600 4.393 7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.758 4.483 8.819 1.00 0.00 H new ATOM 622 N MET A 43 -13.537 3.244 4.973 1.00 0.00 N ATOM 623 CA MET A 43 -13.066 2.436 3.853 1.00 0.00 C ATOM 624 C MET A 43 -11.733 1.768 4.176 1.00 0.00 C ATOM 625 O MET A 43 -10.977 2.243 5.024 1.00 0.00 O ATOM 626 CB MET A 43 -12.925 3.299 2.598 1.00 0.00 C ATOM 627 CG MET A 43 -14.226 3.953 2.161 1.00 0.00 C ATOM 628 SD MET A 43 -14.180 4.512 0.447 1.00 0.00 S ATOM 629 CE MET A 43 -15.187 3.261 -0.345 1.00 0.00 C ATOM 0 H MET A 43 -12.802 3.740 5.477 1.00 0.00 H new ATOM 0 HA MET A 43 -13.804 1.655 3.671 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.182 4.075 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.546 2.682 1.783 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.045 3.244 2.286 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.438 4.802 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.253 3.470 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.735 2.281 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.187 3.270 0.089 1.00 0.00 H new ATOM 639 N THR A 44 -11.454 0.661 3.493 1.00 0.00 N ATOM 640 CA THR A 44 -10.214 -0.080 3.703 1.00 0.00 C ATOM 641 C THR A 44 -9.395 -0.147 2.418 1.00 0.00 C ATOM 642 O THR A 44 -9.916 -0.485 1.355 1.00 0.00 O ATOM 643 CB THR A 44 -10.515 -1.496 4.203 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.883 -1.628 4.549 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.696 -1.890 5.412 1.00 0.00 C ATOM 0 H THR A 44 -12.071 0.257 2.788 1.00 0.00 H new ATOM 0 HA THR A 44 -9.631 0.447 4.458 1.00 0.00 H new ATOM 0 HB THR A 44 -10.253 -2.155 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.054 -2.540 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.958 -2.904 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.636 -1.849 5.162 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.903 -1.202 6.232 1.00 0.00 H new ATOM 653 N LEU A 45 -8.110 0.176 2.523 1.00 0.00 N ATOM 654 CA LEU A 45 -7.218 0.149 1.369 1.00 0.00 C ATOM 655 C LEU A 45 -6.506 -1.196 1.264 1.00 0.00 C ATOM 656 O LEU A 45 -5.687 -1.544 2.114 1.00 0.00 O ATOM 657 CB LEU A 45 -6.190 1.277 1.465 1.00 0.00 C ATOM 658 CG LEU A 45 -6.782 2.689 1.511 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.417 3.383 2.815 1.00 0.00 C ATOM 660 CD2 LEU A 45 -6.306 3.508 0.319 1.00 0.00 C ATOM 0 H LEU A 45 -7.663 0.459 3.395 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.821 0.292 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.586 1.123 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.517 1.209 0.610 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.868 2.606 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.847 4.384 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.809 2.809 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.332 3.453 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.737 4.508 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.219 3.580 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.621 3.023 -0.605 1.00 0.00 H new ATOM 672 N ASN A 46 -6.825 -1.948 0.216 1.00 0.00 N ATOM 673 CA ASN A 46 -6.215 -3.256 -0.001 1.00 0.00 C ATOM 674 C ASN A 46 -5.287 -3.231 -1.212 1.00 0.00 C ATOM 675 O ASN A 46 -5.182 -2.219 -1.905 1.00 0.00 O ATOM 676 CB ASN A 46 -7.290 -4.334 -0.189 1.00 0.00 C ATOM 677 CG ASN A 46 -8.553 -3.803 -0.841 1.00 0.00 C ATOM 678 OD1 ASN A 46 -9.657 -3.997 -0.333 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.397 -3.128 -1.974 1.00 0.00 N ATOM 0 H ASN A 46 -7.502 -1.675 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.626 -3.498 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.885 -5.141 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.541 -4.762 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.211 -2.748 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.463 -2.990 -2.361 1.00 0.00 H new ATOM 686 N VAL A 47 -4.617 -4.352 -1.460 1.00 0.00 N ATOM 687 CA VAL A 47 -3.697 -4.459 -2.587 1.00 0.00 C ATOM 688 C VAL A 47 -4.395 -5.037 -3.813 1.00 0.00 C ATOM 689 O VAL A 47 -5.283 -5.882 -3.694 1.00 0.00 O ATOM 690 CB VAL A 47 -2.482 -5.339 -2.239 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.636 -4.681 -1.160 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.934 -6.724 -1.801 1.00 0.00 C ATOM 0 H VAL A 47 -4.694 -5.199 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.352 -3.449 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.868 -5.448 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.783 -5.318 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.281 -3.714 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.238 -4.539 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.062 -7.332 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.571 -6.637 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.493 -7.197 -2.609 1.00 0.00 H new ATOM 702 N GLN A 48 -3.988 -4.576 -4.990 1.00 0.00 N ATOM 703 CA GLN A 48 -4.575 -5.047 -6.241 1.00 0.00 C ATOM 704 C GLN A 48 -3.895 -6.326 -6.729 1.00 0.00 C ATOM 705 O GLN A 48 -4.404 -7.005 -7.621 1.00 0.00 O ATOM 706 CB GLN A 48 -4.488 -3.956 -7.316 1.00 0.00 C ATOM 707 CG GLN A 48 -3.087 -3.740 -7.875 1.00 0.00 C ATOM 708 CD GLN A 48 -2.221 -2.884 -6.973 1.00 0.00 C ATOM 709 OE1 GLN A 48 -2.367 -1.663 -6.930 1.00 0.00 O ATOM 710 NE2 GLN A 48 -1.312 -3.523 -6.246 1.00 0.00 N ATOM 0 H GLN A 48 -3.254 -3.877 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.624 -5.276 -6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.158 -4.215 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.848 -3.017 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.606 -4.707 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.160 -3.268 -8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.226 -4.537 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.700 -3.000 -5.620 1.00 0.00 H new ATOM 719 N GLU A 49 -2.743 -6.649 -6.145 1.00 0.00 N ATOM 720 CA GLU A 49 -2.004 -7.845 -6.531 1.00 0.00 C ATOM 721 C GLU A 49 -1.133 -8.342 -5.382 1.00 0.00 C ATOM 722 O GLU A 49 -0.996 -7.673 -4.359 1.00 0.00 O ATOM 723 CB GLU A 49 -1.135 -7.558 -7.757 1.00 0.00 C ATOM 724 CG GLU A 49 -1.935 -7.336 -9.031 1.00 0.00 C ATOM 725 CD GLU A 49 -1.053 -7.041 -10.228 1.00 0.00 C ATOM 726 OE1 GLU A 49 0.093 -6.588 -10.025 1.00 0.00 O ATOM 727 OE2 GLU A 49 -1.509 -7.264 -11.370 1.00 0.00 O ATOM 0 H GLU A 49 -2.304 -6.100 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.726 -8.624 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.526 -6.675 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.449 -8.391 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.537 -8.221 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.627 -6.508 -8.881 1.00 0.00 H new ATOM 734 N ARG A 50 -0.547 -9.522 -5.561 1.00 0.00 N ATOM 735 CA ARG A 50 0.311 -10.112 -4.540 1.00 0.00 C ATOM 736 C ARG A 50 1.600 -9.312 -4.385 1.00 0.00 C ATOM 737 O ARG A 50 2.246 -8.960 -5.371 1.00 0.00 O ATOM 738 CB ARG A 50 0.637 -11.564 -4.896 1.00 0.00 C ATOM 739 CG ARG A 50 -0.440 -12.550 -4.474 1.00 0.00 C ATOM 740 CD ARG A 50 -1.538 -12.656 -5.520 1.00 0.00 C ATOM 741 NE ARG A 50 -2.129 -13.992 -5.561 1.00 0.00 N ATOM 742 CZ ARG A 50 -3.241 -14.290 -6.227 1.00 0.00 C ATOM 743 NH1 ARG A 50 -3.886 -13.352 -6.910 1.00 0.00 N ATOM 744 NH2 ARG A 50 -3.711 -15.530 -6.212 1.00 0.00 N ATOM 0 H ARG A 50 -0.651 -10.088 -6.403 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.225 -10.089 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.786 -11.641 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.579 -11.843 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.006 -13.531 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.871 -12.235 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.315 -11.922 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.130 -12.410 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.661 -14.740 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.529 -12.397 -6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.738 -13.587 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.220 -16.255 -5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.564 -15.758 -6.723 1.00 0.00 H new ATOM 758 N GLY A 51 1.968 -9.029 -3.140 1.00 0.00 N ATOM 759 CA GLY A 51 3.178 -8.274 -2.879 1.00 0.00 C ATOM 760 C GLY A 51 3.220 -7.721 -1.469 1.00 0.00 C ATOM 761 O GLY A 51 2.246 -7.831 -0.724 1.00 0.00 O ATOM 0 H GLY A 51 1.450 -9.309 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.045 -8.914 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.251 -7.452 -3.591 1.00 0.00 H new ATOM 765 N ARG A 52 4.349 -7.128 -1.098 1.00 0.00 N ATOM 766 CA ARG A 52 4.511 -6.563 0.233 1.00 0.00 C ATOM 767 C ARG A 52 4.157 -5.082 0.249 1.00 0.00 C ATOM 768 O ARG A 52 4.642 -4.305 -0.574 1.00 0.00 O ATOM 769 CB ARG A 52 5.943 -6.764 0.717 1.00 0.00 C ATOM 770 CG ARG A 52 6.186 -8.138 1.308 1.00 0.00 C ATOM 771 CD ARG A 52 7.319 -8.115 2.315 1.00 0.00 C ATOM 772 NE ARG A 52 8.127 -9.331 2.260 1.00 0.00 N ATOM 773 CZ ARG A 52 9.295 -9.473 2.883 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.794 -8.480 3.608 1.00 0.00 N ATOM 775 NH2 ARG A 52 9.965 -10.613 2.782 1.00 0.00 N ATOM 0 H ARG A 52 5.165 -7.027 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 52 3.828 -7.082 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.627 -6.608 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.176 -6.007 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.276 -8.494 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.421 -8.843 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.954 -7.249 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.910 -7.997 3.318 1.00 0.00 H new ATOM 0 HE ARG A 52 7.776 -10.117 1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.282 -7.602 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.689 -8.595 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.585 -11.380 2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.860 -10.723 3.259 1.00 0.00 H new ATOM 789 N VAL A 53 3.306 -4.701 1.194 1.00 0.00 N ATOM 790 CA VAL A 53 2.881 -3.312 1.326 1.00 0.00 C ATOM 791 C VAL A 53 3.894 -2.500 2.126 1.00 0.00 C ATOM 792 O VAL A 53 4.240 -2.858 3.251 1.00 0.00 O ATOM 793 CB VAL A 53 1.504 -3.206 2.009 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.017 -1.764 2.010 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.496 -4.116 1.324 1.00 0.00 C ATOM 0 H VAL A 53 2.896 -5.334 1.881 1.00 0.00 H new ATOM 0 HA VAL A 53 2.810 -2.908 0.316 1.00 0.00 H new ATOM 0 HB VAL A 53 1.607 -3.531 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.043 -1.709 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.728 -1.140 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.930 -1.409 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.470 -4.027 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.395 -3.825 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.840 -5.149 1.382 1.00 0.00 H new ATOM 805 N LYS A 54 4.361 -1.403 1.540 1.00 0.00 N ATOM 806 CA LYS A 54 5.329 -0.537 2.201 1.00 0.00 C ATOM 807 C LYS A 54 4.732 0.844 2.446 1.00 0.00 C ATOM 808 O LYS A 54 4.542 1.623 1.514 1.00 0.00 O ATOM 809 CB LYS A 54 6.598 -0.416 1.356 1.00 0.00 C ATOM 810 CG LYS A 54 7.102 -1.746 0.819 1.00 0.00 C ATOM 811 CD LYS A 54 8.536 -1.641 0.327 1.00 0.00 C ATOM 812 CE LYS A 54 9.344 -2.874 0.697 1.00 0.00 C ATOM 813 NZ LYS A 54 10.764 -2.758 0.265 1.00 0.00 N ATOM 0 H LYS A 54 4.085 -1.093 0.608 1.00 0.00 H new ATOM 0 HA LYS A 54 5.586 -0.982 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.404 0.254 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.382 0.044 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.039 -2.503 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.460 -2.077 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.542 -1.512 -0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.005 -0.755 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.304 -3.024 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.895 -3.754 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.281 -3.619 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.804 -2.641 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.200 -1.933 0.724 1.00 0.00 H new ATOM 827 N TYR A 55 4.432 1.138 3.707 1.00 0.00 N ATOM 828 CA TYR A 55 3.850 2.423 4.077 1.00 0.00 C ATOM 829 C TYR A 55 4.748 3.583 3.655 1.00 0.00 C ATOM 830 O TYR A 55 5.955 3.567 3.896 1.00 0.00 O ATOM 831 CB TYR A 55 3.606 2.478 5.586 1.00 0.00 C ATOM 832 CG TYR A 55 2.243 1.968 5.999 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.711 0.816 5.434 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.489 2.639 6.954 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.466 0.347 5.809 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.244 2.177 7.334 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.263 1.031 6.759 1.00 0.00 C ATOM 838 OH TYR A 55 -1.503 0.567 7.134 1.00 0.00 O ATOM 0 H TYR A 55 4.583 0.503 4.491 1.00 0.00 H new ATOM 0 HA TYR A 55 2.899 2.521 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.373 1.890 6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.718 3.508 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.279 0.278 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.883 3.537 7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.066 -0.550 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.329 2.711 8.078 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.639 -0.333 6.771 1.00 0.00 H new ATOM 848 N ILE A 56 4.147 4.592 3.033 1.00 0.00 N ATOM 849 CA ILE A 56 4.884 5.769 2.586 1.00 0.00 C ATOM 850 C ILE A 56 4.596 6.955 3.501 1.00 0.00 C ATOM 851 O ILE A 56 5.502 7.516 4.117 1.00 0.00 O ATOM 852 CB ILE A 56 4.530 6.134 1.120 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.435 5.373 0.148 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.647 7.635 0.878 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.437 3.876 0.362 1.00 0.00 C ATOM 0 H ILE A 56 3.148 4.618 2.826 1.00 0.00 H new ATOM 0 HA ILE A 56 5.947 5.532 2.630 1.00 0.00 H new ATOM 0 HB ILE A 56 3.494 5.843 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.116 5.584 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.454 5.746 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.392 7.857 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.963 8.165 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.669 7.957 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.101 3.406 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.785 3.653 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.426 3.489 0.234 1.00 0.00 H new ATOM 867 N LYS A 57 3.326 7.328 3.580 1.00 0.00 N ATOM 868 CA LYS A 57 2.902 8.443 4.413 1.00 0.00 C ATOM 869 C LYS A 57 2.976 8.075 5.893 1.00 0.00 C ATOM 870 O LYS A 57 3.214 6.920 6.244 1.00 0.00 O ATOM 871 CB LYS A 57 1.479 8.850 4.039 1.00 0.00 C ATOM 872 CG LYS A 57 1.396 10.188 3.322 1.00 0.00 C ATOM 873 CD LYS A 57 1.731 11.341 4.253 1.00 0.00 C ATOM 874 CE LYS A 57 1.041 12.625 3.821 1.00 0.00 C ATOM 875 NZ LYS A 57 1.447 13.785 4.662 1.00 0.00 N ATOM 0 H LYS A 57 2.568 6.871 3.074 1.00 0.00 H new ATOM 0 HA LYS A 57 3.574 9.284 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.045 8.079 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.873 8.894 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.083 10.191 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.392 10.324 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.429 11.089 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.810 11.495 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.280 12.832 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.039 12.494 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.954 14.640 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.196 13.599 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.474 13.927 4.585 1.00 0.00 H new ATOM 889 N ARG A 58 2.768 9.065 6.755 1.00 0.00 N ATOM 890 CA ARG A 58 2.810 8.845 8.196 1.00 0.00 C ATOM 891 C ARG A 58 1.416 8.538 8.739 1.00 0.00 C ATOM 892 O ARG A 58 0.413 8.779 8.068 1.00 0.00 O ATOM 893 CB ARG A 58 3.390 10.072 8.903 1.00 0.00 C ATOM 894 CG ARG A 58 4.888 9.980 9.148 1.00 0.00 C ATOM 895 CD ARG A 58 5.258 10.473 10.538 1.00 0.00 C ATOM 896 NE ARG A 58 6.495 11.251 10.531 1.00 0.00 N ATOM 897 CZ ARG A 58 6.626 12.429 9.924 1.00 0.00 C ATOM 898 NH1 ARG A 58 5.601 12.967 9.276 1.00 0.00 N ATOM 899 NH2 ARG A 58 7.786 13.070 9.967 1.00 0.00 N ATOM 0 H ARG A 58 2.569 10.027 6.481 1.00 0.00 H new ATOM 0 HA ARG A 58 3.453 7.986 8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.182 10.959 8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.881 10.205 9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.214 8.947 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.417 10.570 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.447 11.085 10.934 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.370 9.620 11.207 1.00 0.00 H new ATOM 0 HE ARG A 58 7.305 10.870 11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.707 12.478 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.707 13.870 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.577 12.661 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.888 13.972 9.502 1.00 0.00 H new ATOM 913 N PRO A 59 1.335 8.003 9.970 1.00 0.00 N ATOM 914 CA PRO A 59 0.054 7.667 10.601 1.00 0.00 C ATOM 915 C PRO A 59 -0.792 8.904 10.880 1.00 0.00 C ATOM 916 O PRO A 59 -0.304 9.892 11.430 1.00 0.00 O ATOM 917 CB PRO A 59 0.463 6.990 11.913 1.00 0.00 C ATOM 918 CG PRO A 59 1.842 7.483 12.186 1.00 0.00 C ATOM 919 CD PRO A 59 2.480 7.686 10.842 1.00 0.00 C ATOM 0 HA PRO A 59 -0.562 7.037 9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.218 7.253 12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.443 5.904 11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.819 8.414 12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.404 6.762 12.780 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.209 8.497 10.860 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.006 6.792 10.507 1.00 0.00 H new ATOM 927 N GLY A 60 -2.061 8.843 10.492 1.00 0.00 N ATOM 928 CA GLY A 60 -2.957 9.965 10.703 1.00 0.00 C ATOM 929 C GLY A 60 -2.960 10.940 9.538 1.00 0.00 C ATOM 930 O GLY A 60 -3.871 11.759 9.411 1.00 0.00 O ATOM 0 H GLY A 60 -2.486 8.036 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.969 9.592 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.665 10.492 11.612 1.00 0.00 H new ATOM 934 N ALA A 61 -1.940 10.855 8.688 1.00 0.00 N ATOM 935 CA ALA A 61 -1.829 11.736 7.532 1.00 0.00 C ATOM 936 C ALA A 61 -3.064 11.646 6.644 1.00 0.00 C ATOM 937 O ALA A 61 -3.572 10.557 6.376 1.00 0.00 O ATOM 938 CB ALA A 61 -0.578 11.401 6.733 1.00 0.00 C ATOM 0 H ALA A 61 -1.178 10.183 8.780 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.754 12.760 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.507 12.066 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.302 11.529 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.631 10.368 6.390 1.00 0.00 H new ATOM 944 N VAL A 62 -3.538 12.799 6.187 1.00 0.00 N ATOM 945 CA VAL A 62 -4.710 12.857 5.324 1.00 0.00 C ATOM 946 C VAL A 62 -4.349 12.476 3.891 1.00 0.00 C ATOM 947 O VAL A 62 -3.435 13.048 3.298 1.00 0.00 O ATOM 948 CB VAL A 62 -5.344 14.262 5.335 1.00 0.00 C ATOM 949 CG1 VAL A 62 -4.352 15.303 4.840 1.00 0.00 C ATOM 950 CG2 VAL A 62 -6.616 14.284 4.499 1.00 0.00 C ATOM 0 H VAL A 62 -3.127 13.708 6.401 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.434 12.142 5.714 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.610 14.510 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.820 16.288 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.475 15.307 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.049 15.061 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.048 15.285 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.380 14.012 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.332 13.571 4.908 1.00 0.00 H new ATOM 960 N LEU A 63 -5.071 11.504 3.342 1.00 0.00 N ATOM 961 CA LEU A 63 -4.824 11.045 1.981 1.00 0.00 C ATOM 962 C LEU A 63 -5.524 11.942 0.965 1.00 0.00 C ATOM 963 O LEU A 63 -6.577 12.513 1.248 1.00 0.00 O ATOM 964 CB LEU A 63 -5.297 9.600 1.814 1.00 0.00 C ATOM 965 CG LEU A 63 -4.499 8.561 2.603 1.00 0.00 C ATOM 966 CD1 LEU A 63 -3.016 8.673 2.283 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.738 8.729 4.096 1.00 0.00 C ATOM 0 H LEU A 63 -5.831 11.020 3.819 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.750 11.093 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.342 9.539 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.256 9.340 0.756 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.839 7.568 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.463 7.926 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.860 8.505 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.661 9.669 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.163 7.982 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.424 9.726 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.799 8.600 4.312 1.00 0.00 H new ATOM 979 N GLU A 64 -4.932 12.058 -0.219 1.00 0.00 N ATOM 980 CA GLU A 64 -5.497 12.883 -1.280 1.00 0.00 C ATOM 981 C GLU A 64 -5.697 12.066 -2.552 1.00 0.00 C ATOM 982 O GLU A 64 -5.077 11.018 -2.733 1.00 0.00 O ATOM 983 CB GLU A 64 -4.585 14.078 -1.565 1.00 0.00 C ATOM 984 CG GLU A 64 -4.110 14.793 -0.312 1.00 0.00 C ATOM 985 CD GLU A 64 -5.254 15.355 0.509 1.00 0.00 C ATOM 986 OE1 GLU A 64 -6.356 15.531 -0.051 1.00 0.00 O ATOM 987 OE2 GLU A 64 -5.048 15.619 1.712 1.00 0.00 O ATOM 0 H GLU A 64 -4.060 11.591 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.468 13.248 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.717 13.736 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.117 14.788 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.534 14.100 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.438 15.603 -0.594 1.00 0.00 H new ATOM 994 N ALA A 65 -6.567 12.552 -3.432 1.00 0.00 N ATOM 995 CA ALA A 65 -6.847 11.865 -4.686 1.00 0.00 C ATOM 996 C ALA A 65 -5.591 11.758 -5.544 1.00 0.00 C ATOM 997 O ALA A 65 -5.323 12.620 -6.380 1.00 0.00 O ATOM 998 CB ALA A 65 -7.949 12.586 -5.448 1.00 0.00 C ATOM 0 H ALA A 65 -7.089 13.418 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.183 10.855 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.148 12.062 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.856 12.607 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.634 13.607 -5.664 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.824 10.693 -5.330 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.604 10.492 -6.090 1.00 0.00 C ATOM 1006 C GLY A 66 -2.374 10.382 -5.207 1.00 0.00 C ATOM 1007 O GLY A 66 -1.306 9.984 -5.670 1.00 0.00 O ATOM 0 H GLY A 66 -5.026 9.966 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.699 9.586 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.474 11.321 -6.786 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.522 10.736 -3.933 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.411 10.673 -2.990 1.00 0.00 C ATOM 1013 C CYS A 67 -0.953 9.233 -2.781 1.00 0.00 C ATOM 1014 O CYS A 67 -1.760 8.304 -2.814 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.816 11.292 -1.651 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.498 12.225 -0.840 1.00 0.00 S ATOM 0 H CYS A 67 -3.399 11.069 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.580 11.241 -3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.668 11.952 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.149 10.498 -0.982 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.938 12.711 0.283 1.00 0.00 H new ATOM 1022 N VAL A 68 0.347 9.057 -2.566 1.00 0.00 N ATOM 1023 CA VAL A 68 0.913 7.730 -2.353 1.00 0.00 C ATOM 1024 C VAL A 68 0.730 7.281 -0.907 1.00 0.00 C ATOM 1025 O VAL A 68 1.442 7.732 -0.011 1.00 0.00 O ATOM 1026 CB VAL A 68 2.411 7.695 -2.705 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.925 6.264 -2.708 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.657 8.360 -4.051 1.00 0.00 C ATOM 0 H VAL A 68 1.028 9.816 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 68 0.378 7.048 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 68 2.958 8.251 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.986 6.259 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.784 5.825 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.375 5.681 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.721 8.326 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.099 7.833 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.327 9.398 -4.010 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.234 6.393 -0.689 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.518 5.884 0.647 1.00 0.00 C ATOM 1040 C VAL A 69 0.419 4.740 1.023 1.00 0.00 C ATOM 1041 O VAL A 69 0.664 4.493 2.204 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.974 5.395 0.763 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.311 5.057 2.207 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.934 6.440 0.213 1.00 0.00 C ATOM 0 H VAL A 69 -0.832 6.011 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.360 6.715 1.335 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.082 4.488 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.344 4.713 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.645 4.270 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.186 5.945 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.958 6.077 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.826 7.366 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.706 6.626 -0.837 1.00 0.00 H new ATOM 1054 N ALA A 70 0.937 4.036 0.019 1.00 0.00 N ATOM 1055 CA ALA A 70 1.839 2.917 0.268 1.00 0.00 C ATOM 1056 C ALA A 70 2.562 2.480 -1.003 1.00 0.00 C ATOM 1057 O ALA A 70 2.497 3.152 -2.032 1.00 0.00 O ATOM 1058 CB ALA A 70 1.066 1.746 0.854 1.00 0.00 C ATOM 0 H ALA A 70 0.749 4.219 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 70 2.593 3.251 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.747 0.915 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.603 2.049 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.292 1.433 0.153 1.00 0.00 H new ATOM 1064 N ARG A 71 3.249 1.345 -0.915 1.00 0.00 N ATOM 1065 CA ARG A 71 3.990 0.800 -2.047 1.00 0.00 C ATOM 1066 C ARG A 71 3.903 -0.724 -2.062 1.00 0.00 C ATOM 1067 O ARG A 71 4.016 -1.370 -1.021 1.00 0.00 O ATOM 1068 CB ARG A 71 5.454 1.240 -1.985 1.00 0.00 C ATOM 1069 CG ARG A 71 5.742 2.507 -2.773 1.00 0.00 C ATOM 1070 CD ARG A 71 5.733 2.246 -4.270 1.00 0.00 C ATOM 1071 NE ARG A 71 7.078 2.278 -4.840 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.759 3.398 -5.071 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.226 4.579 -4.783 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.977 3.337 -5.591 1.00 0.00 N ATOM 0 H ARG A 71 3.308 0.782 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 71 3.544 1.183 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.733 1.399 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.083 0.435 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.997 3.265 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.712 2.907 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.279 1.274 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.112 2.993 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 71 7.521 1.390 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.289 4.632 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.753 5.434 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.392 2.432 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.499 4.195 -5.768 1.00 0.00 H new ATOM 1088 N LEU A 72 3.698 -1.293 -3.245 1.00 0.00 N ATOM 1089 CA LEU A 72 3.593 -2.741 -3.388 1.00 0.00 C ATOM 1090 C LEU A 72 4.929 -3.352 -3.801 1.00 0.00 C ATOM 1091 O LEU A 72 5.817 -2.656 -4.294 1.00 0.00 O ATOM 1092 CB LEU A 72 2.513 -3.094 -4.415 1.00 0.00 C ATOM 1093 CG LEU A 72 1.310 -3.852 -3.853 1.00 0.00 C ATOM 1094 CD1 LEU A 72 1.748 -5.178 -3.253 1.00 0.00 C ATOM 1095 CD2 LEU A 72 0.587 -3.007 -2.814 1.00 0.00 C ATOM 0 H LEU A 72 3.601 -0.774 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 72 3.315 -3.156 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.159 -2.173 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.966 -3.695 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 72 0.619 -4.058 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.879 -5.704 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.221 -5.787 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.459 -4.996 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.267 -3.561 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.270 -2.771 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.239 -2.082 -3.275 1.00 0.00 H new