USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot -104:sc= 0.427 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.594 K(o=-0.17,f=-0.75) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.019) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 60:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.766 -0.955 6.242 1.00 0.00 N ATOM 43 CA LEU A 3 -12.456 -1.160 5.635 1.00 0.00 C ATOM 44 C LEU A 3 -11.918 -2.551 5.955 1.00 0.00 C ATOM 45 O LEU A 3 -12.355 -3.191 6.911 1.00 0.00 O ATOM 46 CB LEU A 3 -11.473 -0.096 6.125 1.00 0.00 C ATOM 47 CG LEU A 3 -11.941 1.355 6.009 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.983 2.286 6.737 1.00 0.00 C ATOM 49 CD2 LEU A 3 -12.072 1.758 4.547 1.00 0.00 C ATOM 0 HA LEU A 3 -12.567 -1.074 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.240 -0.299 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.544 -0.203 5.565 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.922 1.438 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.333 3.314 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.940 2.012 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.989 2.200 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.406 2.794 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.105 1.658 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.799 1.112 4.055 1.00 0.00 H new ATOM 61 N VAL A 4 -10.967 -3.012 5.149 1.00 0.00 N ATOM 62 CA VAL A 4 -10.367 -4.326 5.349 1.00 0.00 C ATOM 63 C VAL A 4 -8.863 -4.286 5.106 1.00 0.00 C ATOM 64 O VAL A 4 -8.373 -3.478 4.317 1.00 0.00 O ATOM 65 CB VAL A 4 -10.998 -5.378 4.417 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.355 -5.817 4.949 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.121 -4.832 3.003 1.00 0.00 C ATOM 0 H VAL A 4 -10.596 -2.495 4.352 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.558 -4.607 6.385 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.346 -6.251 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.786 -6.560 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.234 -6.251 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.019 -4.954 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.569 -5.589 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.751 -3.942 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.132 -4.573 2.626 1.00 0.00 H new ATOM 77 N GLU A 5 -8.135 -5.163 5.789 1.00 0.00 N ATOM 78 CA GLU A 5 -6.685 -5.227 5.647 1.00 0.00 C ATOM 79 C GLU A 5 -6.294 -6.029 4.409 1.00 0.00 C ATOM 80 O GLU A 5 -6.681 -7.189 4.261 1.00 0.00 O ATOM 81 CB GLU A 5 -6.055 -5.853 6.894 1.00 0.00 C ATOM 82 CG GLU A 5 -4.539 -5.938 6.833 1.00 0.00 C ATOM 83 CD GLU A 5 -3.918 -6.247 8.181 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.273 -5.571 9.168 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.075 -7.167 8.248 1.00 0.00 O ATOM 0 H GLU A 5 -8.525 -5.839 6.446 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.312 -4.209 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.343 -5.269 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.461 -6.855 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.250 -6.709 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.140 -4.994 6.461 1.00 0.00 H new ATOM 92 N ILE A 6 -5.526 -5.403 3.525 1.00 0.00 N ATOM 93 CA ILE A 6 -5.082 -6.058 2.300 1.00 0.00 C ATOM 94 C ILE A 6 -3.596 -6.396 2.365 1.00 0.00 C ATOM 95 O ILE A 6 -3.170 -7.458 1.912 1.00 0.00 O ATOM 96 CB ILE A 6 -5.343 -5.177 1.064 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.716 -3.795 1.254 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.838 -5.056 0.807 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.719 -2.952 -0.002 1.00 0.00 C ATOM 0 H ILE A 6 -5.198 -4.443 3.633 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.658 -6.979 2.208 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.881 -5.648 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.256 -3.265 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.689 -3.915 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.007 -4.431 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.259 -6.046 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.321 -4.604 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.259 -1.986 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.154 -3.461 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.745 -2.801 -0.336 1.00 0.00 H new ATOM 111 N GLY A 7 -2.812 -5.485 2.932 1.00 0.00 N ATOM 112 CA GLY A 7 -1.382 -5.705 3.048 1.00 0.00 C ATOM 113 C GLY A 7 -0.750 -4.856 4.132 1.00 0.00 C ATOM 114 O GLY A 7 -1.421 -4.035 4.757 1.00 0.00 O ATOM 0 H GLY A 7 -3.141 -4.598 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.196 -6.758 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.905 -5.484 2.093 1.00 0.00 H new ATOM 118 N ARG A 8 0.545 -5.053 4.357 1.00 0.00 N ATOM 119 CA ARG A 8 1.267 -4.300 5.376 1.00 0.00 C ATOM 120 C ARG A 8 2.666 -3.933 4.890 1.00 0.00 C ATOM 121 O ARG A 8 3.337 -4.731 4.235 1.00 0.00 O ATOM 122 CB ARG A 8 1.361 -5.112 6.669 1.00 0.00 C ATOM 123 CG ARG A 8 2.083 -4.386 7.792 1.00 0.00 C ATOM 124 CD ARG A 8 3.576 -4.674 7.773 1.00 0.00 C ATOM 125 NE ARG A 8 3.878 -6.027 8.233 1.00 0.00 N ATOM 126 CZ ARG A 8 5.111 -6.471 8.450 1.00 0.00 C ATOM 127 NH1 ARG A 8 6.151 -5.674 8.251 1.00 0.00 N ATOM 128 NH2 ARG A 8 5.305 -7.715 8.869 1.00 0.00 N ATOM 0 H ARG A 8 1.116 -5.728 3.847 1.00 0.00 H new ATOM 0 HA ARG A 8 0.716 -3.380 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.355 -5.368 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.877 -6.050 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.917 -3.313 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.665 -4.691 8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.958 -4.542 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.093 -3.952 8.406 1.00 0.00 H new ATOM 0 HE ARG A 8 3.100 -6.666 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.006 -4.717 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.097 -6.018 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.507 -8.331 9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.252 -8.055 9.035 1.00 0.00 H new ATOM 142 N PHE A 9 3.100 -2.720 5.216 1.00 0.00 N ATOM 143 CA PHE A 9 4.419 -2.245 4.812 1.00 0.00 C ATOM 144 C PHE A 9 5.517 -2.976 5.578 1.00 0.00 C ATOM 145 O PHE A 9 5.532 -2.984 6.808 1.00 0.00 O ATOM 146 CB PHE A 9 4.535 -0.738 5.044 1.00 0.00 C ATOM 147 CG PHE A 9 3.566 0.071 4.230 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.435 -0.147 2.868 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.786 1.048 4.827 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.545 0.597 2.116 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.893 1.795 4.080 1.00 0.00 C ATOM 152 CZ PHE A 9 1.772 1.568 2.723 1.00 0.00 C ATOM 0 H PHE A 9 2.558 -2.048 5.759 1.00 0.00 H new ATOM 0 HA PHE A 9 4.543 -2.451 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.373 -0.528 6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.550 -0.419 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.035 -0.906 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.876 1.229 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.454 0.419 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.291 2.554 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.074 2.148 2.137 1.00 0.00 H new ATOM 162 N GLY A 10 6.438 -3.590 4.840 1.00 0.00 N ATOM 163 CA GLY A 10 7.528 -4.315 5.466 1.00 0.00 C ATOM 164 C GLY A 10 8.774 -3.467 5.624 1.00 0.00 C ATOM 165 O GLY A 10 8.979 -2.842 6.664 1.00 0.00 O ATOM 0 H GLY A 10 6.448 -3.598 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.208 -4.671 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.765 -5.195 4.869 1.00 0.00 H new ATOM 169 N ALA A 11 9.608 -3.445 4.590 1.00 0.00 N ATOM 170 CA ALA A 11 10.840 -2.667 4.619 1.00 0.00 C ATOM 171 C ALA A 11 10.813 -1.556 3.576 1.00 0.00 C ATOM 172 O ALA A 11 10.166 -1.666 2.533 1.00 0.00 O ATOM 173 CB ALA A 11 12.042 -3.573 4.397 1.00 0.00 C ATOM 0 H ALA A 11 9.453 -3.957 3.722 1.00 0.00 H new ATOM 0 HA ALA A 11 10.924 -2.204 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.955 -2.978 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.079 -4.327 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.954 -4.063 3.428 1.00 0.00 H new ATOM 179 N PRO A 12 11.529 -0.458 3.860 1.00 0.00 N ATOM 180 CA PRO A 12 11.602 0.695 2.957 1.00 0.00 C ATOM 181 C PRO A 12 12.391 0.389 1.689 1.00 0.00 C ATOM 182 O PRO A 12 13.589 0.113 1.743 1.00 0.00 O ATOM 183 CB PRO A 12 12.324 1.755 3.793 1.00 0.00 C ATOM 184 CG PRO A 12 13.125 0.978 4.780 1.00 0.00 C ATOM 185 CD PRO A 12 12.323 -0.258 5.083 1.00 0.00 C ATOM 0 HA PRO A 12 10.616 1.004 2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.963 2.382 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.615 2.417 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.102 0.719 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.301 1.560 5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.966 -1.114 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.687 -0.120 5.957 1.00 0.00 H new ATOM 193 N TYR A 13 11.712 0.441 0.548 1.00 0.00 N ATOM 194 CA TYR A 13 12.349 0.168 -0.734 1.00 0.00 C ATOM 195 C TYR A 13 13.543 1.091 -0.957 1.00 0.00 C ATOM 196 O TYR A 13 13.818 1.975 -0.146 1.00 0.00 O ATOM 197 CB TYR A 13 11.342 0.334 -1.874 1.00 0.00 C ATOM 198 CG TYR A 13 11.773 -0.326 -3.164 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.812 -1.711 -3.279 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.143 0.434 -4.266 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.207 -2.318 -4.456 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.537 -0.165 -5.447 1.00 0.00 C ATOM 203 CZ TYR A 13 12.567 -1.541 -5.537 1.00 0.00 C ATOM 204 OH TYR A 13 12.960 -2.142 -6.711 1.00 0.00 O ATOM 0 H TYR A 13 10.720 0.670 0.485 1.00 0.00 H new ATOM 0 HA TYR A 13 12.706 -0.862 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.384 -0.083 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.183 1.397 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.529 -2.322 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.122 1.512 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.234 -3.395 -4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.820 0.441 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 13 13.179 -1.454 -7.373 1.00 0.00 H new ATOM 214 N ALA A 14 14.248 0.879 -2.063 1.00 0.00 N ATOM 215 CA ALA A 14 15.411 1.692 -2.396 1.00 0.00 C ATOM 216 C ALA A 14 15.147 3.168 -2.116 1.00 0.00 C ATOM 217 O ALA A 14 14.001 3.579 -1.925 1.00 0.00 O ATOM 218 CB ALA A 14 15.797 1.490 -3.853 1.00 0.00 C ATOM 0 H ALA A 14 14.034 0.151 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 14 16.240 1.372 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.667 2.103 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.036 0.440 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.965 1.781 -4.494 1.00 0.00 H new ATOM 224 N LEU A 15 16.212 3.961 -2.093 1.00 0.00 N ATOM 225 CA LEU A 15 16.095 5.392 -1.836 1.00 0.00 C ATOM 226 C LEU A 15 15.022 6.019 -2.721 1.00 0.00 C ATOM 227 O LEU A 15 14.417 7.029 -2.362 1.00 0.00 O ATOM 228 CB LEU A 15 17.438 6.085 -2.075 1.00 0.00 C ATOM 229 CG LEU A 15 18.660 5.413 -1.448 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.928 6.176 -1.800 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.498 5.311 0.061 1.00 0.00 C ATOM 0 H LEU A 15 17.167 3.637 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 15 15.804 5.526 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.600 6.158 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.372 7.104 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 15 18.743 4.404 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.787 5.683 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.052 6.196 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.854 7.197 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.377 4.830 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.388 6.310 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.612 4.720 0.293 1.00 0.00 H new ATOM 243 N LYS A 16 14.790 5.411 -3.880 1.00 0.00 N ATOM 244 CA LYS A 16 13.788 5.906 -4.817 1.00 0.00 C ATOM 245 C LYS A 16 12.582 6.471 -4.074 1.00 0.00 C ATOM 246 O LYS A 16 11.922 7.393 -4.553 1.00 0.00 O ATOM 247 CB LYS A 16 13.342 4.785 -5.758 1.00 0.00 C ATOM 248 CG LYS A 16 14.231 4.627 -6.979 1.00 0.00 C ATOM 249 CD LYS A 16 13.747 5.486 -8.136 1.00 0.00 C ATOM 250 CE LYS A 16 14.325 6.891 -8.067 1.00 0.00 C ATOM 251 NZ LYS A 16 14.302 7.566 -9.394 1.00 0.00 N ATOM 0 H LYS A 16 15.283 4.574 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 16 14.239 6.706 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.325 3.845 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.321 4.981 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.254 4.902 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.249 3.581 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.031 5.021 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.658 5.538 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.757 7.482 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.351 6.844 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.704 8.521 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.865 7.015 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.321 7.634 -9.732 1.00 0.00 H new ATOM 265 N GLY A 17 12.300 5.913 -2.900 1.00 0.00 N ATOM 266 CA GLY A 17 11.174 6.376 -2.110 1.00 0.00 C ATOM 267 C GLY A 17 10.013 5.401 -2.130 1.00 0.00 C ATOM 268 O GLY A 17 8.870 5.781 -1.878 1.00 0.00 O ATOM 0 H GLY A 17 12.831 5.149 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.496 6.532 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.840 7.342 -2.489 1.00 0.00 H new ATOM 272 N GLY A 18 10.306 4.140 -2.431 1.00 0.00 N ATOM 273 CA GLY A 18 9.267 3.128 -2.479 1.00 0.00 C ATOM 274 C GLY A 18 9.120 2.385 -1.165 1.00 0.00 C ATOM 275 O GLY A 18 10.037 2.376 -0.343 1.00 0.00 O ATOM 0 H GLY A 18 11.244 3.801 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.318 3.598 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.494 2.416 -3.272 1.00 0.00 H new ATOM 279 N LEU A 19 7.964 1.762 -0.966 1.00 0.00 N ATOM 280 CA LEU A 19 7.699 1.014 0.259 1.00 0.00 C ATOM 281 C LEU A 19 7.217 -0.398 -0.059 1.00 0.00 C ATOM 282 O LEU A 19 6.248 -0.582 -0.796 1.00 0.00 O ATOM 283 CB LEU A 19 6.657 1.742 1.109 1.00 0.00 C ATOM 284 CG LEU A 19 7.149 2.979 1.862 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.973 3.821 2.331 1.00 0.00 C ATOM 286 CD2 LEU A 19 8.021 2.573 3.041 1.00 0.00 C ATOM 0 H LEU A 19 7.195 1.760 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 19 8.630 0.942 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.833 2.040 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.253 1.037 1.835 1.00 0.00 H new ATOM 0 HG LEU A 19 7.751 3.581 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.342 4.697 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.388 4.141 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.344 3.229 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.362 3.465 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.443 1.950 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.883 2.012 2.680 1.00 0.00 H new ATOM 298 N ARG A 20 7.898 -1.391 0.503 1.00 0.00 N ATOM 299 CA ARG A 20 7.539 -2.786 0.281 1.00 0.00 C ATOM 300 C ARG A 20 6.180 -3.102 0.898 1.00 0.00 C ATOM 301 O ARG A 20 6.062 -3.271 2.112 1.00 0.00 O ATOM 302 CB ARG A 20 8.606 -3.710 0.870 1.00 0.00 C ATOM 303 CG ARG A 20 9.880 -3.773 0.043 1.00 0.00 C ATOM 304 CD ARG A 20 10.816 -4.862 0.545 1.00 0.00 C ATOM 305 NE ARG A 20 11.847 -5.191 -0.436 1.00 0.00 N ATOM 306 CZ ARG A 20 12.954 -4.476 -0.607 1.00 0.00 C ATOM 307 NH1 ARG A 20 13.171 -3.398 0.134 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.846 -4.840 -1.519 1.00 0.00 N ATOM 0 H ARG A 20 8.702 -1.255 1.116 1.00 0.00 H new ATOM 0 HA ARG A 20 7.478 -2.953 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.852 -3.372 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.193 -4.715 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.629 -3.960 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.388 -2.809 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.288 -4.536 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.239 -5.757 0.779 1.00 0.00 H new ATOM 0 HE ARG A 20 11.710 -6.015 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.488 -3.116 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.021 -2.851 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.682 -5.669 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.695 -4.290 -1.649 1.00 0.00 H new ATOM 322 N PHE A 21 5.156 -3.181 0.055 1.00 0.00 N ATOM 323 CA PHE A 21 3.805 -3.476 0.517 1.00 0.00 C ATOM 324 C PHE A 21 3.428 -4.922 0.209 1.00 0.00 C ATOM 325 O PHE A 21 3.353 -5.321 -0.954 1.00 0.00 O ATOM 326 CB PHE A 21 2.800 -2.525 -0.136 1.00 0.00 C ATOM 327 CG PHE A 21 1.381 -3.008 -0.061 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.630 -2.819 1.087 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.797 -3.653 -1.140 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.678 -3.263 1.159 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.510 -4.099 -1.074 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.247 -3.904 0.077 1.00 0.00 C ATOM 0 H PHE A 21 5.236 -3.045 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 21 3.779 -3.335 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.869 -1.550 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.072 -2.384 -1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.071 -2.319 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.369 -3.809 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.253 -3.108 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.954 -4.599 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.268 -4.253 0.131 1.00 0.00 H new ATOM 342 N ARG A 22 3.192 -5.703 1.258 1.00 0.00 N ATOM 343 CA ARG A 22 2.824 -7.105 1.100 1.00 0.00 C ATOM 344 C ARG A 22 1.328 -7.303 1.327 1.00 0.00 C ATOM 345 O ARG A 22 0.873 -7.427 2.463 1.00 0.00 O ATOM 346 CB ARG A 22 3.618 -7.975 2.076 1.00 0.00 C ATOM 347 CG ARG A 22 3.722 -9.430 1.648 1.00 0.00 C ATOM 348 CD ARG A 22 2.499 -10.225 2.076 1.00 0.00 C ATOM 349 NE ARG A 22 2.632 -11.645 1.762 1.00 0.00 N ATOM 350 CZ ARG A 22 1.730 -12.560 2.101 1.00 0.00 C ATOM 351 NH1 ARG A 22 0.636 -12.206 2.760 1.00 0.00 N ATOM 352 NH2 ARG A 22 1.922 -13.833 1.779 1.00 0.00 N ATOM 0 H ARG A 22 3.249 -5.389 2.227 1.00 0.00 H new ATOM 0 HA ARG A 22 3.062 -7.405 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.622 -7.564 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.148 -7.927 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.832 -9.485 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.617 -9.875 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.345 -10.104 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.615 -9.825 1.580 1.00 0.00 H new ATOM 0 HE ARG A 22 3.462 -11.951 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.484 -11.228 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.054 -12.911 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.762 -14.109 1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.229 -14.535 2.039 1.00 0.00 H new ATOM 366 N GLY A 23 0.568 -7.331 0.236 1.00 0.00 N ATOM 367 CA GLY A 23 -0.868 -7.514 0.337 1.00 0.00 C ATOM 368 C GLY A 23 -1.422 -8.379 -0.777 1.00 0.00 C ATOM 369 O GLY A 23 -0.736 -8.647 -1.763 1.00 0.00 O ATOM 0 H GLY A 23 0.921 -7.230 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.106 -7.969 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.358 -6.540 0.315 1.00 0.00 H new ATOM 373 N GLU A 24 -2.667 -8.819 -0.620 1.00 0.00 N ATOM 374 CA GLU A 24 -3.311 -9.662 -1.621 1.00 0.00 C ATOM 375 C GLU A 24 -3.109 -9.093 -3.023 1.00 0.00 C ATOM 376 O GLU A 24 -2.793 -7.916 -3.203 1.00 0.00 O ATOM 377 CB GLU A 24 -4.806 -9.794 -1.323 1.00 0.00 C ATOM 378 CG GLU A 24 -5.396 -8.582 -0.622 1.00 0.00 C ATOM 379 CD GLU A 24 -6.913 -8.590 -0.620 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.503 -9.232 -1.514 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.509 -7.955 0.274 1.00 0.00 O ATOM 0 H GLU A 24 -3.249 -8.606 0.190 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.851 -10.649 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.341 -9.959 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.968 -10.676 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.035 -8.550 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.042 -7.675 -1.112 1.00 0.00 H new ATOM 388 N PRO A 25 -3.294 -9.947 -4.040 1.00 0.00 N ATOM 389 CA PRO A 25 -3.137 -9.553 -5.443 1.00 0.00 C ATOM 390 C PRO A 25 -4.241 -8.609 -5.906 1.00 0.00 C ATOM 391 O PRO A 25 -4.152 -8.012 -6.980 1.00 0.00 O ATOM 392 CB PRO A 25 -3.220 -10.883 -6.196 1.00 0.00 C ATOM 393 CG PRO A 25 -4.012 -11.775 -5.304 1.00 0.00 C ATOM 394 CD PRO A 25 -3.671 -11.363 -3.898 1.00 0.00 C ATOM 0 HA PRO A 25 -2.208 -9.009 -5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.705 -10.760 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.228 -11.293 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.080 -11.668 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.761 -12.822 -5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.520 -11.487 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.853 -11.958 -3.492 1.00 0.00 H new ATOM 402 N VAL A 26 -5.282 -8.477 -5.090 1.00 0.00 N ATOM 403 CA VAL A 26 -6.403 -7.603 -5.416 1.00 0.00 C ATOM 404 C VAL A 26 -5.977 -6.139 -5.418 1.00 0.00 C ATOM 405 O VAL A 26 -6.666 -5.281 -5.968 1.00 0.00 O ATOM 406 CB VAL A 26 -7.565 -7.787 -4.422 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.235 -7.136 -3.088 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.853 -7.218 -4.998 1.00 0.00 C ATOM 0 H VAL A 26 -5.372 -8.964 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.741 -7.881 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.710 -8.854 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.068 -7.276 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.338 -7.594 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.062 -6.070 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.664 -7.356 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.723 -6.154 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.096 -7.735 -5.926 1.00 0.00 H new ATOM 418 N VAL A 27 -4.834 -5.861 -4.798 1.00 0.00 N ATOM 419 CA VAL A 27 -4.314 -4.500 -4.728 1.00 0.00 C ATOM 420 C VAL A 27 -3.982 -3.968 -6.118 1.00 0.00 C ATOM 421 O VAL A 27 -3.898 -2.756 -6.327 1.00 0.00 O ATOM 422 CB VAL A 27 -3.053 -4.426 -3.847 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.887 -5.133 -4.522 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.703 -2.978 -3.540 1.00 0.00 C ATOM 0 H VAL A 27 -4.251 -6.560 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.095 -3.884 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.259 -4.934 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.005 -5.070 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.142 -6.180 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.677 -4.656 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.810 -2.944 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.516 -2.444 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.532 -2.507 -3.012 1.00 0.00 H new ATOM 434 N LEU A 28 -3.794 -4.879 -7.065 1.00 0.00 N ATOM 435 CA LEU A 28 -3.472 -4.501 -8.437 1.00 0.00 C ATOM 436 C LEU A 28 -4.666 -3.835 -9.113 1.00 0.00 C ATOM 437 O LEU A 28 -4.538 -3.258 -10.194 1.00 0.00 O ATOM 438 CB LEU A 28 -3.039 -5.731 -9.237 1.00 0.00 C ATOM 439 CG LEU A 28 -1.919 -6.571 -8.624 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.401 -7.587 -9.630 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.788 -5.677 -8.136 1.00 0.00 C ATOM 0 H LEU A 28 -3.859 -5.885 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.650 -3.786 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.909 -6.371 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.719 -5.402 -10.226 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.324 -7.112 -7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.604 -8.176 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.214 -8.248 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.013 -7.067 -10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.001 -6.292 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.386 -5.109 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.168 -4.989 -7.381 1.00 0.00 H new ATOM 453 N HIS A 29 -5.826 -3.916 -8.469 1.00 0.00 N ATOM 454 CA HIS A 29 -7.042 -3.318 -9.007 1.00 0.00 C ATOM 455 C HIS A 29 -7.438 -2.079 -8.208 1.00 0.00 C ATOM 456 O HIS A 29 -8.385 -1.376 -8.562 1.00 0.00 O ATOM 457 CB HIS A 29 -8.185 -4.334 -8.993 1.00 0.00 C ATOM 458 CG HIS A 29 -8.058 -5.392 -10.046 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.951 -5.527 -11.088 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.135 -6.367 -10.214 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.583 -6.541 -11.851 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.484 -7.067 -11.343 1.00 0.00 N ATOM 0 H HIS A 29 -5.949 -4.390 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.845 -3.018 -10.036 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.225 -4.811 -8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.130 -3.808 -9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.283 -6.559 -9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.094 -6.882 -12.739 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.976 -7.864 -11.727 1.00 0.00 H new ATOM 470 N LEU A 30 -6.707 -1.818 -7.130 1.00 0.00 N ATOM 471 CA LEU A 30 -6.982 -0.665 -6.280 1.00 0.00 C ATOM 472 C LEU A 30 -6.376 0.604 -6.872 1.00 0.00 C ATOM 473 O LEU A 30 -5.589 0.545 -7.816 1.00 0.00 O ATOM 474 CB LEU A 30 -6.428 -0.899 -4.874 1.00 0.00 C ATOM 475 CG LEU A 30 -7.200 -1.894 -4.006 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.354 -2.340 -2.824 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.508 -1.280 -3.526 1.00 0.00 C ATOM 0 H LEU A 30 -5.919 -2.389 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.063 -0.538 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.399 -1.248 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.396 0.058 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.433 -2.770 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.920 -3.048 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.445 -2.819 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.090 -1.473 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.044 -2.002 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.297 -0.387 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.121 -1.011 -4.386 1.00 0.00 H new ATOM 489 N GLU A 31 -6.748 1.749 -6.309 1.00 0.00 N ATOM 490 CA GLU A 31 -6.240 3.032 -6.781 1.00 0.00 C ATOM 491 C GLU A 31 -5.615 3.824 -5.636 1.00 0.00 C ATOM 492 O GLU A 31 -4.584 4.475 -5.808 1.00 0.00 O ATOM 493 CB GLU A 31 -7.365 3.846 -7.425 1.00 0.00 C ATOM 494 CG GLU A 31 -7.074 5.335 -7.496 1.00 0.00 C ATOM 495 CD GLU A 31 -7.785 6.014 -8.651 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.033 6.019 -8.659 1.00 0.00 O ATOM 497 OE2 GLU A 31 -7.091 6.540 -9.547 1.00 0.00 O ATOM 0 H GLU A 31 -7.399 1.815 -5.526 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.470 2.837 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.543 3.471 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.284 3.690 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.377 5.806 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.999 5.487 -7.596 1.00 0.00 H new ATOM 504 N ARG A 32 -6.247 3.764 -4.469 1.00 0.00 N ATOM 505 CA ARG A 32 -5.755 4.477 -3.296 1.00 0.00 C ATOM 506 C ARG A 32 -5.624 3.535 -2.103 1.00 0.00 C ATOM 507 O ARG A 32 -6.087 2.395 -2.144 1.00 0.00 O ATOM 508 CB ARG A 32 -6.693 5.634 -2.945 1.00 0.00 C ATOM 509 CG ARG A 32 -8.026 5.184 -2.371 1.00 0.00 C ATOM 510 CD ARG A 32 -8.823 6.360 -1.827 1.00 0.00 C ATOM 511 NE ARG A 32 -9.977 5.924 -1.044 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.617 6.704 -0.181 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.217 7.954 0.010 1.00 0.00 N ATOM 514 NH2 ARG A 32 -11.658 6.235 0.494 1.00 0.00 N ATOM 0 H ARG A 32 -7.101 3.229 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.769 4.877 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.198 6.286 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.875 6.228 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.604 4.678 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.855 4.459 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.176 6.980 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.161 6.983 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.309 4.968 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.416 8.318 -0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.710 8.552 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.968 5.274 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.149 6.835 1.157 1.00 0.00 H new ATOM 528 N VAL A 33 -4.989 4.019 -1.040 1.00 0.00 N ATOM 529 CA VAL A 33 -4.797 3.221 0.165 1.00 0.00 C ATOM 530 C VAL A 33 -4.968 4.071 1.420 1.00 0.00 C ATOM 531 O VAL A 33 -5.141 5.287 1.340 1.00 0.00 O ATOM 532 CB VAL A 33 -3.404 2.566 0.188 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.376 1.338 -0.708 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.338 3.567 -0.232 1.00 0.00 C ATOM 0 H VAL A 33 -4.599 4.960 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.557 2.440 0.152 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.189 2.247 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.383 0.889 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.112 0.615 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.612 1.629 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.360 3.087 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.547 3.919 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.343 4.413 0.455 1.00 0.00 H new ATOM 544 N TYR A 34 -4.918 3.422 2.578 1.00 0.00 N ATOM 545 CA TYR A 34 -5.069 4.117 3.850 1.00 0.00 C ATOM 546 C TYR A 34 -3.952 3.736 4.816 1.00 0.00 C ATOM 547 O TYR A 34 -3.798 2.568 5.176 1.00 0.00 O ATOM 548 CB TYR A 34 -6.429 3.795 4.473 1.00 0.00 C ATOM 549 CG TYR A 34 -6.587 4.316 5.884 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.913 5.455 6.305 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.413 3.669 6.796 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.055 5.934 7.593 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.561 4.141 8.085 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.880 5.274 8.479 1.00 0.00 C ATOM 555 OH TYR A 34 -7.025 5.748 9.763 1.00 0.00 O ATOM 0 H TYR A 34 -4.774 2.416 2.662 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.009 5.188 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.215 4.219 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.571 2.714 4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.267 5.975 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.948 2.782 6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.523 6.821 7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.206 3.626 8.781 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.642 5.169 10.258 1.00 0.00 H new ATOM 565 N VAL A 35 -3.173 4.730 5.233 1.00 0.00 N ATOM 566 CA VAL A 35 -2.070 4.500 6.158 1.00 0.00 C ATOM 567 C VAL A 35 -2.550 4.538 7.605 1.00 0.00 C ATOM 568 O VAL A 35 -2.659 5.607 8.204 1.00 0.00 O ATOM 569 CB VAL A 35 -0.954 5.545 5.971 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.228 5.233 6.876 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.520 5.605 4.514 1.00 0.00 C ATOM 0 H VAL A 35 -3.286 5.702 4.945 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.671 3.510 5.936 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.345 6.523 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.006 5.982 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.097 5.246 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.623 4.247 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.269 6.348 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.146 4.629 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.371 5.881 3.892 1.00 0.00 H new ATOM 581 N GLU A 36 -2.834 3.364 8.159 1.00 0.00 N ATOM 582 CA GLU A 36 -3.302 3.264 9.537 1.00 0.00 C ATOM 583 C GLU A 36 -2.279 3.854 10.503 1.00 0.00 C ATOM 584 O GLU A 36 -1.293 3.206 10.853 1.00 0.00 O ATOM 585 CB GLU A 36 -3.580 1.804 9.900 1.00 0.00 C ATOM 586 CG GLU A 36 -3.544 1.531 11.394 1.00 0.00 C ATOM 587 CD GLU A 36 -4.140 0.184 11.755 1.00 0.00 C ATOM 588 OE1 GLU A 36 -5.383 0.080 11.814 1.00 0.00 O ATOM 589 OE2 GLU A 36 -3.362 -0.768 11.978 1.00 0.00 O ATOM 0 H GLU A 36 -2.749 2.470 7.676 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.227 3.834 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.558 1.522 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.845 1.169 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.512 1.573 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.089 2.317 11.917 1.00 0.00 H new ATOM 596 N GLY A 37 -2.521 5.089 10.931 1.00 0.00 N ATOM 597 CA GLY A 37 -1.613 5.747 11.852 1.00 0.00 C ATOM 598 C GLY A 37 -1.484 7.232 11.579 1.00 0.00 C ATOM 599 O GLY A 37 -1.500 8.045 12.504 1.00 0.00 O ATOM 0 H GLY A 37 -3.330 5.646 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.965 5.598 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.630 5.281 11.783 1.00 0.00 H new ATOM 603 N HIS A 38 -1.354 7.588 10.305 1.00 0.00 N ATOM 604 CA HIS A 38 -1.220 8.987 9.912 1.00 0.00 C ATOM 605 C HIS A 38 -2.459 9.460 9.157 1.00 0.00 C ATOM 606 O HIS A 38 -3.317 10.140 9.717 1.00 0.00 O ATOM 607 CB HIS A 38 0.024 9.178 9.044 1.00 0.00 C ATOM 608 CG HIS A 38 1.308 8.945 9.778 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.526 9.413 9.333 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.560 8.289 10.936 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.471 9.055 10.183 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.911 8.372 11.165 1.00 0.00 N ATOM 0 H HIS A 38 -1.339 6.928 9.527 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.117 9.585 10.818 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.028 8.497 8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.024 10.191 8.641 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.833 7.793 11.562 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.523 9.282 10.091 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.403 7.971 11.964 1.00 0.00 H new ATOM 620 N GLY A 39 -2.544 9.095 7.881 1.00 0.00 N ATOM 621 CA GLY A 39 -3.680 9.492 7.070 1.00 0.00 C ATOM 622 C GLY A 39 -3.831 8.639 5.827 1.00 0.00 C ATOM 623 O GLY A 39 -3.045 7.719 5.598 1.00 0.00 O ATOM 0 H GLY A 39 -1.846 8.532 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.590 9.424 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.567 10.536 6.779 1.00 0.00 H new ATOM 627 N TRP A 40 -4.844 8.942 5.023 1.00 0.00 N ATOM 628 CA TRP A 40 -5.096 8.194 3.796 1.00 0.00 C ATOM 629 C TRP A 40 -4.104 8.585 2.706 1.00 0.00 C ATOM 630 O TRP A 40 -3.920 9.768 2.417 1.00 0.00 O ATOM 631 CB TRP A 40 -6.526 8.437 3.311 1.00 0.00 C ATOM 632 CG TRP A 40 -7.527 7.502 3.920 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.040 7.560 5.184 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.132 6.367 3.290 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.929 6.529 5.378 1.00 0.00 N ATOM 636 CE2 TRP A 40 -9.003 5.784 4.231 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.025 5.788 2.023 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.760 4.651 3.943 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.776 4.664 1.738 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.635 4.105 2.694 1.00 0.00 C ATOM 0 H TRP A 40 -5.504 9.700 5.198 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.968 7.134 4.014 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.811 9.463 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.557 8.334 2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.785 8.306 5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.449 6.348 6.237 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.367 6.212 1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.422 4.219 4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.700 4.208 0.762 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.209 3.226 2.440 1.00 0.00 H new ATOM 651 N ARG A 41 -3.467 7.585 2.106 1.00 0.00 N ATOM 652 CA ARG A 41 -2.493 7.826 1.048 1.00 0.00 C ATOM 653 C ARG A 41 -2.927 7.159 -0.254 1.00 0.00 C ATOM 654 O ARG A 41 -3.534 6.088 -0.241 1.00 0.00 O ATOM 655 CB ARG A 41 -1.116 7.305 1.466 1.00 0.00 C ATOM 656 CG ARG A 41 -0.366 8.244 2.396 1.00 0.00 C ATOM 657 CD ARG A 41 0.040 9.525 1.684 1.00 0.00 C ATOM 658 NE ARG A 41 0.803 10.416 2.554 1.00 0.00 N ATOM 659 CZ ARG A 41 1.208 11.628 2.192 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.924 12.092 0.983 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.899 12.380 3.040 1.00 0.00 N ATOM 0 H ARG A 41 -3.608 6.601 2.334 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.433 8.902 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.236 6.340 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.515 7.135 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.993 8.486 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.522 7.743 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.636 9.278 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.852 10.041 1.329 1.00 0.00 H new ATOM 0 HE ARG A 41 1.038 10.089 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.393 11.518 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.236 13.023 0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.120 12.027 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.209 13.311 2.760 1.00 0.00 H new ATOM 675 N ALA A 42 -2.613 7.799 -1.374 1.00 0.00 N ATOM 676 CA ALA A 42 -2.969 7.268 -2.684 1.00 0.00 C ATOM 677 C ALA A 42 -1.774 6.588 -3.344 1.00 0.00 C ATOM 678 O ALA A 42 -0.624 6.940 -3.081 1.00 0.00 O ATOM 679 CB ALA A 42 -3.506 8.377 -3.576 1.00 0.00 C ATOM 0 H ALA A 42 -2.112 8.687 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.749 6.519 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.768 7.965 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.392 8.816 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.743 9.146 -3.700 1.00 0.00 H new ATOM 685 N ILE A 43 -2.054 5.612 -4.201 1.00 0.00 N ATOM 686 CA ILE A 43 -1.002 4.883 -4.898 1.00 0.00 C ATOM 687 C ILE A 43 -0.628 5.574 -6.205 1.00 0.00 C ATOM 688 O ILE A 43 -1.497 6.012 -6.958 1.00 0.00 O ATOM 689 CB ILE A 43 -1.426 3.433 -5.200 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.706 2.679 -3.899 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.350 2.724 -6.009 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.098 1.234 -4.110 1.00 0.00 C ATOM 0 H ILE A 43 -3.000 5.308 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.136 4.869 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.342 3.453 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.818 2.718 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.504 3.188 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.664 1.701 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.195 3.252 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.581 2.711 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.281 0.762 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.004 1.187 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.292 0.710 -4.623 1.00 0.00 H new ATOM 704 N GLU A 44 0.672 5.666 -6.469 1.00 0.00 N ATOM 705 CA GLU A 44 1.161 6.303 -7.686 1.00 0.00 C ATOM 706 C GLU A 44 1.780 5.274 -8.628 1.00 0.00 C ATOM 707 O GLU A 44 1.656 5.381 -9.848 1.00 0.00 O ATOM 708 CB GLU A 44 2.190 7.383 -7.345 1.00 0.00 C ATOM 709 CG GLU A 44 1.614 8.543 -6.551 1.00 0.00 C ATOM 710 CD GLU A 44 2.348 9.846 -6.805 1.00 0.00 C ATOM 711 OE1 GLU A 44 3.022 9.953 -7.850 1.00 0.00 O ATOM 712 OE2 GLU A 44 2.247 10.758 -5.958 1.00 0.00 O ATOM 0 H GLU A 44 1.405 5.308 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 44 0.312 6.766 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.003 6.932 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.623 7.766 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.562 8.667 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.657 8.307 -5.488 1.00 0.00 H new ATOM 719 N ASP A 45 2.447 4.280 -8.052 1.00 0.00 N ATOM 720 CA ASP A 45 3.085 3.231 -8.839 1.00 0.00 C ATOM 721 C ASP A 45 3.499 2.062 -7.951 1.00 0.00 C ATOM 722 O ASP A 45 4.047 2.256 -6.865 1.00 0.00 O ATOM 723 CB ASP A 45 4.306 3.787 -9.573 1.00 0.00 C ATOM 724 CG ASP A 45 3.933 4.503 -10.857 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.495 3.825 -11.809 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.079 5.742 -10.908 1.00 0.00 O ATOM 0 H ASP A 45 2.560 4.179 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 45 2.363 2.870 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.838 4.476 -8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.992 2.971 -9.801 1.00 0.00 H new ATOM 731 N LEU A 46 3.231 0.848 -8.419 1.00 0.00 N ATOM 732 CA LEU A 46 3.575 -0.354 -7.667 1.00 0.00 C ATOM 733 C LEU A 46 3.814 -1.533 -8.604 1.00 0.00 C ATOM 734 O LEU A 46 3.408 -1.508 -9.767 1.00 0.00 O ATOM 735 CB LEU A 46 2.462 -0.695 -6.675 1.00 0.00 C ATOM 736 CG LEU A 46 1.245 -1.418 -7.253 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.534 -2.902 -7.419 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.027 -1.206 -6.366 1.00 0.00 C ATOM 0 H LEU A 46 2.777 0.670 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 46 4.496 -0.157 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.885 -1.314 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.122 0.230 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 46 1.031 -0.998 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.656 -3.400 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.378 -3.035 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.775 -3.336 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.829 -1.728 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.230 -1.597 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.194 -0.141 -6.299 1.00 0.00 H new ATOM 750 N TYR A 47 4.473 -2.566 -8.091 1.00 0.00 N ATOM 751 CA TYR A 47 4.767 -3.755 -8.883 1.00 0.00 C ATOM 752 C TYR A 47 5.237 -4.901 -7.992 1.00 0.00 C ATOM 753 O TYR A 47 5.974 -4.690 -7.028 1.00 0.00 O ATOM 754 CB TYR A 47 5.831 -3.443 -9.936 1.00 0.00 C ATOM 755 CG TYR A 47 6.882 -2.464 -9.462 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.835 -2.838 -8.522 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.923 -1.166 -9.956 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.796 -1.947 -8.086 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.882 -0.269 -9.526 1.00 0.00 C ATOM 760 CZ TYR A 47 8.816 -0.664 -8.591 1.00 0.00 C ATOM 761 OH TYR A 47 9.773 0.226 -8.161 1.00 0.00 O ATOM 0 H TYR A 47 4.814 -2.604 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 47 3.849 -4.062 -9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.319 -4.371 -10.234 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.344 -3.039 -10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.824 -3.843 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.193 -0.853 -10.688 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.528 -2.253 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.900 0.736 -9.920 1.00 0.00 H new ATOM 0 HH TYR A 47 9.371 0.858 -7.529 1.00 0.00 H new ATOM 771 N ARG A 48 4.807 -6.114 -8.322 1.00 0.00 N ATOM 772 CA ARG A 48 5.183 -7.293 -7.552 1.00 0.00 C ATOM 773 C ARG A 48 6.597 -7.745 -7.905 1.00 0.00 C ATOM 774 O ARG A 48 6.842 -8.253 -9.000 1.00 0.00 O ATOM 775 CB ARG A 48 4.193 -8.432 -7.807 1.00 0.00 C ATOM 776 CG ARG A 48 3.709 -8.506 -9.246 1.00 0.00 C ATOM 777 CD ARG A 48 2.452 -7.676 -9.454 1.00 0.00 C ATOM 778 NE ARG A 48 2.362 -7.151 -10.814 1.00 0.00 N ATOM 779 CZ ARG A 48 1.918 -7.859 -11.847 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.527 -9.114 -11.676 1.00 0.00 N ATOM 781 NH2 ARG A 48 1.866 -7.312 -13.055 1.00 0.00 N ATOM 0 H ARG A 48 4.198 -6.306 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 48 5.158 -7.029 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.664 -9.378 -7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.333 -8.309 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.494 -8.152 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.509 -9.544 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.575 -8.287 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.442 -6.849 -8.745 1.00 0.00 H new ATOM 0 HE ARG A 48 2.656 -6.188 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.566 -9.539 -10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.187 -9.655 -12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.167 -6.347 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.525 -7.857 -13.847 1.00 0.00 H new ATOM 795 N VAL A 49 7.524 -7.557 -6.971 1.00 0.00 N ATOM 796 CA VAL A 49 8.913 -7.946 -7.183 1.00 0.00 C ATOM 797 C VAL A 49 9.182 -9.344 -6.638 1.00 0.00 C ATOM 798 O VAL A 49 9.286 -9.540 -5.429 1.00 0.00 O ATOM 799 CB VAL A 49 9.882 -6.951 -6.516 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.307 -7.479 -6.567 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.785 -5.587 -7.182 1.00 0.00 C ATOM 0 H VAL A 49 7.338 -7.138 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 49 9.083 -7.941 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 49 9.599 -6.840 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.977 -6.763 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.361 -8.432 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.605 -7.621 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.476 -4.896 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.042 -5.678 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.767 -5.208 -7.088 1.00 0.00 H new ATOM 811 N GLY A 50 9.294 -10.314 -7.541 1.00 0.00 N ATOM 812 CA GLY A 50 9.550 -11.682 -7.132 1.00 0.00 C ATOM 813 C GLY A 50 8.461 -12.232 -6.232 1.00 0.00 C ATOM 814 O GLY A 50 7.361 -12.534 -6.694 1.00 0.00 O ATOM 0 H GLY A 50 9.212 -10.176 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.638 -12.312 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.506 -11.729 -6.611 1.00 0.00 H new ATOM 818 N GLU A 51 8.768 -12.363 -4.946 1.00 0.00 N ATOM 819 CA GLU A 51 7.807 -12.883 -3.981 1.00 0.00 C ATOM 820 C GLU A 51 7.341 -11.784 -3.030 1.00 0.00 C ATOM 821 O GLU A 51 6.968 -12.054 -1.889 1.00 0.00 O ATOM 822 CB GLU A 51 8.423 -14.035 -3.183 1.00 0.00 C ATOM 823 CG GLU A 51 8.863 -15.205 -4.046 1.00 0.00 C ATOM 824 CD GLU A 51 9.501 -16.319 -3.237 1.00 0.00 C ATOM 825 OE1 GLU A 51 8.752 -17.118 -2.637 1.00 0.00 O ATOM 826 OE2 GLU A 51 10.747 -16.390 -3.205 1.00 0.00 O ATOM 0 H GLU A 51 9.674 -12.116 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 51 6.943 -13.254 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.282 -13.662 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.697 -14.387 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.001 -15.599 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.572 -14.853 -4.795 1.00 0.00 H new ATOM 833 N GLU A 52 7.365 -10.545 -3.511 1.00 0.00 N ATOM 834 CA GLU A 52 6.947 -9.405 -2.704 1.00 0.00 C ATOM 835 C GLU A 52 6.349 -8.308 -3.580 1.00 0.00 C ATOM 836 O GLU A 52 6.322 -8.422 -4.806 1.00 0.00 O ATOM 837 CB GLU A 52 8.132 -8.850 -1.911 1.00 0.00 C ATOM 838 CG GLU A 52 8.817 -9.886 -1.035 1.00 0.00 C ATOM 839 CD GLU A 52 9.751 -9.263 -0.017 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.417 -8.263 -0.357 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.818 -9.775 1.120 1.00 0.00 O ATOM 0 H GLU A 52 7.669 -10.305 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 52 6.182 -9.748 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.861 -8.435 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.786 -8.028 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.061 -10.475 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.380 -10.574 -1.665 1.00 0.00 H new ATOM 848 N LEU A 53 5.870 -7.245 -2.943 1.00 0.00 N ATOM 849 CA LEU A 53 5.272 -6.126 -3.663 1.00 0.00 C ATOM 850 C LEU A 53 5.777 -4.795 -3.117 1.00 0.00 C ATOM 851 O LEU A 53 6.018 -4.655 -1.918 1.00 0.00 O ATOM 852 CB LEU A 53 3.747 -6.187 -3.562 1.00 0.00 C ATOM 853 CG LEU A 53 3.025 -6.885 -4.715 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.763 -7.572 -4.216 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.692 -5.890 -5.817 1.00 0.00 C ATOM 0 H LEU A 53 5.884 -7.134 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 53 5.564 -6.201 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.484 -6.696 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.367 -5.168 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 53 3.689 -7.644 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.262 -8.063 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.026 -8.314 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.095 -6.831 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.179 -6.405 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.047 -5.108 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.612 -5.444 -6.195 1.00 0.00 H new ATOM 867 N VAL A 54 5.933 -3.818 -4.005 1.00 0.00 N ATOM 868 CA VAL A 54 6.406 -2.496 -3.612 1.00 0.00 C ATOM 869 C VAL A 54 5.430 -1.410 -4.051 1.00 0.00 C ATOM 870 O VAL A 54 5.249 -1.168 -5.244 1.00 0.00 O ATOM 871 CB VAL A 54 7.793 -2.196 -4.210 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.263 -0.809 -3.799 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.798 -3.256 -3.784 1.00 0.00 C ATOM 0 H VAL A 54 5.739 -3.917 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 54 6.479 -2.496 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 54 7.713 -2.220 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.245 -0.615 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.554 -0.063 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.327 -0.754 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.772 -3.028 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.876 -3.267 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.466 -4.234 -4.134 1.00 0.00 H new ATOM 883 N VAL A 55 4.802 -0.758 -3.077 1.00 0.00 N ATOM 884 CA VAL A 55 3.845 0.304 -3.362 1.00 0.00 C ATOM 885 C VAL A 55 4.462 1.678 -3.126 1.00 0.00 C ATOM 886 O VAL A 55 5.122 1.908 -2.112 1.00 0.00 O ATOM 887 CB VAL A 55 2.579 0.166 -2.495 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.721 1.418 -2.599 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.787 -1.068 -2.902 1.00 0.00 C ATOM 0 H VAL A 55 4.939 -0.947 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 55 3.570 0.208 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 55 2.883 0.048 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.831 1.302 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.292 2.280 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.424 1.570 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.896 -1.150 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.492 -0.983 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.405 -1.956 -2.771 1.00 0.00 H new ATOM 899 N HIS A 56 4.242 2.589 -4.069 1.00 0.00 N ATOM 900 CA HIS A 56 4.776 3.942 -3.963 1.00 0.00 C ATOM 901 C HIS A 56 3.674 4.934 -3.602 1.00 0.00 C ATOM 902 O HIS A 56 2.923 5.385 -4.467 1.00 0.00 O ATOM 903 CB HIS A 56 5.440 4.356 -5.277 1.00 0.00 C ATOM 904 CG HIS A 56 6.694 3.595 -5.579 1.00 0.00 C ATOM 905 ND1 HIS A 56 7.956 4.117 -5.390 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.876 2.342 -6.059 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.859 3.220 -5.742 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.230 2.133 -6.151 1.00 0.00 N ATOM 0 H HIS A 56 3.698 2.415 -4.914 1.00 0.00 H new ATOM 0 HA HIS A 56 5.523 3.950 -3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.732 4.213 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.671 5.421 -5.238 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.160 5.051 -5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.100 1.638 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.930 3.353 -5.702 1.00 0.00 H new ATOM 916 N LEU A 57 3.584 5.270 -2.320 1.00 0.00 N ATOM 917 CA LEU A 57 2.573 6.208 -1.844 1.00 0.00 C ATOM 918 C LEU A 57 2.874 7.623 -2.326 1.00 0.00 C ATOM 919 O LEU A 57 4.035 8.004 -2.477 1.00 0.00 O ATOM 920 CB LEU A 57 2.503 6.181 -0.316 1.00 0.00 C ATOM 921 CG LEU A 57 2.269 4.811 0.321 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.393 4.898 1.834 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.905 4.265 -0.074 1.00 0.00 C ATOM 0 H LEU A 57 4.199 4.907 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 57 1.609 5.903 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.434 6.588 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.703 6.849 0.003 1.00 0.00 H new ATOM 0 HG LEU A 57 3.032 4.125 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.223 3.914 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.392 5.244 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.652 5.598 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.756 3.289 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.127 4.950 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.853 4.164 -1.158 1.00 0.00 H new ATOM 935 N ALA A 58 1.821 8.399 -2.563 1.00 0.00 N ATOM 936 CA ALA A 58 1.973 9.773 -3.023 1.00 0.00 C ATOM 937 C ALA A 58 2.633 10.640 -1.956 1.00 0.00 C ATOM 938 O ALA A 58 2.116 10.779 -0.849 1.00 0.00 O ATOM 939 CB ALA A 58 0.621 10.352 -3.414 1.00 0.00 C ATOM 0 H ALA A 58 0.854 8.099 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 58 2.620 9.766 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.750 11.379 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.188 9.755 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.044 10.338 -2.551 1.00 0.00 H new ATOM 945 N GLY A 59 3.780 11.220 -2.297 1.00 0.00 N ATOM 946 CA GLY A 59 4.492 12.065 -1.357 1.00 0.00 C ATOM 947 C GLY A 59 5.787 11.438 -0.880 1.00 0.00 C ATOM 948 O GLY A 59 6.785 12.132 -0.682 1.00 0.00 O ATOM 0 H GLY A 59 4.228 11.119 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.708 13.024 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.852 12.268 -0.498 1.00 0.00 H new ATOM 952 N VAL A 60 5.772 10.123 -0.692 1.00 0.00 N ATOM 953 CA VAL A 60 6.953 9.402 -0.234 1.00 0.00 C ATOM 954 C VAL A 60 7.948 9.198 -1.371 1.00 0.00 C ATOM 955 O VAL A 60 7.758 8.338 -2.231 1.00 0.00 O ATOM 956 CB VAL A 60 6.580 8.030 0.358 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.832 7.236 0.699 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.697 8.202 1.585 1.00 0.00 C ATOM 0 H VAL A 60 4.954 9.535 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 60 7.413 10.012 0.543 1.00 0.00 H new ATOM 0 HB VAL A 60 6.018 7.472 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.548 6.270 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.422 7.082 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.424 7.787 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.443 7.223 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.231 8.780 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.784 8.727 1.305 1.00 0.00 H new ATOM 968 N THR A 61 9.011 9.996 -1.370 1.00 0.00 N ATOM 969 CA THR A 61 10.037 9.905 -2.402 1.00 0.00 C ATOM 970 C THR A 61 11.416 9.689 -1.789 1.00 0.00 C ATOM 971 O THR A 61 12.340 9.233 -2.462 1.00 0.00 O ATOM 972 CB THR A 61 10.068 11.173 -3.276 1.00 0.00 C ATOM 973 OG1 THR A 61 10.384 12.315 -2.472 1.00 0.00 O ATOM 974 CG2 THR A 61 8.730 11.386 -3.968 1.00 0.00 C ATOM 0 H THR A 61 9.184 10.713 -0.666 1.00 0.00 H new ATOM 0 HA THR A 61 9.783 9.049 -3.026 1.00 0.00 H new ATOM 0 HB THR A 61 10.836 11.044 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.403 13.117 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.776 12.287 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.508 10.528 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.946 11.496 -3.219 1.00 0.00 H new ATOM 982 N ASP A 62 11.547 10.020 -0.509 1.00 0.00 N ATOM 983 CA ASP A 62 12.814 9.861 0.195 1.00 0.00 C ATOM 984 C ASP A 62 12.726 8.740 1.226 1.00 0.00 C ATOM 985 O ASP A 62 11.663 8.488 1.794 1.00 0.00 O ATOM 986 CB ASP A 62 13.209 11.170 0.880 1.00 0.00 C ATOM 987 CG ASP A 62 12.036 11.842 1.566 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.738 11.480 2.724 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.416 12.730 0.946 1.00 0.00 O ATOM 0 H ASP A 62 10.792 10.400 0.062 1.00 0.00 H new ATOM 0 HA ASP A 62 13.577 9.598 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.990 10.971 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.632 11.850 0.141 1.00 0.00 H new ATOM 994 N ARG A 63 13.849 8.070 1.461 1.00 0.00 N ATOM 995 CA ARG A 63 13.898 6.974 2.422 1.00 0.00 C ATOM 996 C ARG A 63 13.211 7.364 3.727 1.00 0.00 C ATOM 997 O ARG A 63 12.381 6.621 4.251 1.00 0.00 O ATOM 998 CB ARG A 63 15.348 6.572 2.696 1.00 0.00 C ATOM 999 CG ARG A 63 15.488 5.213 3.363 1.00 0.00 C ATOM 1000 CD ARG A 63 16.890 4.650 3.192 1.00 0.00 C ATOM 1001 NE ARG A 63 17.052 3.367 3.871 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.187 2.679 3.880 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.256 3.148 3.251 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.256 1.519 4.521 1.00 0.00 N ATOM 0 H ARG A 63 14.737 8.266 0.999 1.00 0.00 H new ATOM 0 HA ARG A 63 13.368 6.124 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.898 6.564 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.812 7.328 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.258 5.302 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.762 4.521 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.104 4.528 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.617 5.362 3.584 1.00 0.00 H new ATOM 0 HE ARG A 63 16.249 2.978 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.208 4.040 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.127 2.617 3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.436 1.155 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.129 0.991 4.527 1.00 0.00 H new ATOM 1018 N THR A 64 13.565 8.535 4.249 1.00 0.00 N ATOM 1019 CA THR A 64 12.985 9.023 5.494 1.00 0.00 C ATOM 1020 C THR A 64 11.467 8.878 5.487 1.00 0.00 C ATOM 1021 O THR A 64 10.907 8.080 6.240 1.00 0.00 O ATOM 1022 CB THR A 64 13.347 10.500 5.741 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.760 10.687 5.608 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.900 10.942 7.126 1.00 0.00 C ATOM 0 H THR A 64 14.250 9.162 3.829 1.00 0.00 H new ATOM 0 HA THR A 64 13.402 8.415 6.297 1.00 0.00 H new ATOM 0 HB THR A 64 12.829 11.107 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.982 11.629 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.166 11.988 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.820 10.826 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.393 10.329 7.880 1.00 0.00 H new ATOM 1032 N LEU A 65 10.807 9.653 4.634 1.00 0.00 N ATOM 1033 CA LEU A 65 9.353 9.610 4.529 1.00 0.00 C ATOM 1034 C LEU A 65 8.847 8.171 4.553 1.00 0.00 C ATOM 1035 O LEU A 65 7.883 7.853 5.248 1.00 0.00 O ATOM 1036 CB LEU A 65 8.894 10.302 3.245 1.00 0.00 C ATOM 1037 CG LEU A 65 8.881 11.831 3.274 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.636 12.389 1.881 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.825 12.337 4.246 1.00 0.00 C ATOM 0 H LEU A 65 11.256 10.319 4.005 1.00 0.00 H new ATOM 0 HA LEU A 65 8.936 10.137 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.543 9.980 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.888 9.955 3.008 1.00 0.00 H new ATOM 0 HG LEU A 65 9.857 12.177 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.630 13.478 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.428 12.055 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.674 12.034 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.830 13.427 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.843 11.981 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.045 11.966 5.247 1.00 0.00 H new ATOM 1051 N ALA A 66 9.507 7.304 3.791 1.00 0.00 N ATOM 1052 CA ALA A 66 9.128 5.899 3.729 1.00 0.00 C ATOM 1053 C ALA A 66 9.243 5.237 5.098 1.00 0.00 C ATOM 1054 O ALA A 66 8.309 4.584 5.562 1.00 0.00 O ATOM 1055 CB ALA A 66 9.989 5.164 2.712 1.00 0.00 C ATOM 0 H ALA A 66 10.307 7.551 3.208 1.00 0.00 H new ATOM 0 HA ALA A 66 8.086 5.844 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.695 4.115 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.853 5.613 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.037 5.237 3.002 1.00 0.00 H new ATOM 1061 N GLU A 67 10.394 5.411 5.739 1.00 0.00 N ATOM 1062 CA GLU A 67 10.631 4.829 7.055 1.00 0.00 C ATOM 1063 C GLU A 67 9.538 5.241 8.037 1.00 0.00 C ATOM 1064 O GLU A 67 9.253 4.531 9.000 1.00 0.00 O ATOM 1065 CB GLU A 67 11.999 5.257 7.589 1.00 0.00 C ATOM 1066 CG GLU A 67 13.127 4.318 7.196 1.00 0.00 C ATOM 1067 CD GLU A 67 14.376 4.526 8.030 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.252 4.645 9.266 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.479 4.569 7.444 1.00 0.00 O ATOM 0 H GLU A 67 11.177 5.950 5.369 1.00 0.00 H new ATOM 0 HA GLU A 67 10.613 3.744 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.226 6.258 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.952 5.320 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.790 3.287 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.368 4.467 6.144 1.00 0.00 H new ATOM 1076 N ALA A 68 8.929 6.396 7.784 1.00 0.00 N ATOM 1077 CA ALA A 68 7.867 6.903 8.644 1.00 0.00 C ATOM 1078 C ALA A 68 6.578 6.112 8.449 1.00 0.00 C ATOM 1079 O ALA A 68 5.746 6.028 9.353 1.00 0.00 O ATOM 1080 CB ALA A 68 7.628 8.381 8.371 1.00 0.00 C ATOM 0 H ALA A 68 9.153 6.997 6.991 1.00 0.00 H new ATOM 0 HA ALA A 68 8.183 6.782 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.832 8.747 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.543 8.940 8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.337 8.516 7.329 1.00 0.00 H new ATOM 1086 N LEU A 69 6.417 5.534 7.263 1.00 0.00 N ATOM 1087 CA LEU A 69 5.228 4.750 6.949 1.00 0.00 C ATOM 1088 C LEU A 69 5.551 3.260 6.918 1.00 0.00 C ATOM 1089 O LEU A 69 4.824 2.468 6.318 1.00 0.00 O ATOM 1090 CB LEU A 69 4.647 5.185 5.603 1.00 0.00 C ATOM 1091 CG LEU A 69 4.214 6.648 5.500 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.821 6.989 4.071 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.063 6.932 6.454 1.00 0.00 C ATOM 0 H LEU A 69 7.095 5.594 6.503 1.00 0.00 H new ATOM 0 HA LEU A 69 4.490 4.927 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.390 4.992 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.785 4.555 5.381 1.00 0.00 H new ATOM 0 HG LEU A 69 5.058 7.277 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.516 8.034 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.672 6.825 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.993 6.353 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.768 7.978 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.216 6.294 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.379 6.728 7.477 1.00 0.00 H new ATOM 1105 N VAL A 70 6.646 2.883 7.571 1.00 0.00 N ATOM 1106 CA VAL A 70 7.065 1.487 7.621 1.00 0.00 C ATOM 1107 C VAL A 70 6.592 0.818 8.908 1.00 0.00 C ATOM 1108 O VAL A 70 6.834 1.319 10.005 1.00 0.00 O ATOM 1109 CB VAL A 70 8.596 1.356 7.520 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.048 -0.012 8.008 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.057 1.601 6.091 1.00 0.00 C ATOM 0 H VAL A 70 7.259 3.525 8.073 1.00 0.00 H new ATOM 0 HA VAL A 70 6.609 0.988 6.766 1.00 0.00 H new ATOM 0 HB VAL A 70 9.052 2.112 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.133 -0.086 7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.750 -0.144 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.586 -0.787 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.141 1.505 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.594 0.869 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.766 2.605 5.782 1.00 0.00 H new ATOM 1121 N GLY A 71 5.918 -0.318 8.764 1.00 0.00 N ATOM 1122 CA GLY A 71 5.422 -1.038 9.922 1.00 0.00 C ATOM 1123 C GLY A 71 3.913 -0.970 10.046 1.00 0.00 C ATOM 1124 O GLY A 71 3.275 -1.928 10.485 1.00 0.00 O ATOM 0 H GLY A 71 5.706 -0.753 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.731 -2.081 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.876 -0.627 10.823 1.00 0.00 H new ATOM 1128 N LEU A 72 3.340 0.164 9.659 1.00 0.00 N ATOM 1129 CA LEU A 72 1.895 0.354 9.729 1.00 0.00 C ATOM 1130 C LEU A 72 1.176 -0.567 8.749 1.00 0.00 C ATOM 1131 O LEU A 72 1.794 -1.134 7.848 1.00 0.00 O ATOM 1132 CB LEU A 72 1.538 1.812 9.432 1.00 0.00 C ATOM 1133 CG LEU A 72 2.118 2.854 10.390 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.883 4.258 9.857 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.512 2.699 11.777 1.00 0.00 C ATOM 0 H LEU A 72 3.853 0.966 9.293 1.00 0.00 H new ATOM 0 HA LEU A 72 1.569 0.104 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.874 2.049 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.452 1.908 9.437 1.00 0.00 H new ATOM 0 HG LEU A 72 3.193 2.692 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.302 4.986 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.366 4.364 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.812 4.433 9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.936 3.448 12.445 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.432 2.834 11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.733 1.703 12.161 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.133 -0.709 8.931 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.936 -1.561 8.062 1.00 0.00 C ATOM 1149 C ARG A 73 -1.762 -0.722 7.091 1.00 0.00 C ATOM 1150 O ARG A 73 -2.222 0.368 7.432 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.860 -2.450 8.897 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.119 -3.461 9.757 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.921 -3.835 10.994 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.636 -5.196 11.440 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.085 -5.704 12.582 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -2.836 -4.967 13.389 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.783 -6.951 12.919 1.00 0.00 N ATOM 0 H ARG A 73 -0.659 -0.246 9.672 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.259 -2.191 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.474 -1.819 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.539 -2.981 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.913 -4.357 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.156 -3.048 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.694 -3.135 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.985 -3.739 10.779 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.061 -5.789 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.070 -4.008 13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.180 -5.359 14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.205 -7.521 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.128 -7.340 13.796 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.944 -1.237 5.880 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.714 -0.537 4.859 1.00 0.00 C ATOM 1173 C VAL A 74 -4.119 -1.117 4.735 1.00 0.00 C ATOM 1174 O VAL A 74 -4.291 -2.328 4.593 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.020 -0.605 3.486 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.748 0.267 2.475 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.561 -0.191 3.606 1.00 0.00 C ATOM 0 H VAL A 74 -1.569 -2.137 5.582 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.780 0.505 5.173 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.054 -1.635 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.243 0.206 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.776 -0.080 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.748 1.301 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.086 -0.245 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.502 0.830 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.048 -0.862 4.295 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.120 -0.245 4.789 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.510 -0.671 4.685 1.00 0.00 C ATOM 1189 C TYR A 75 -7.076 -0.351 3.305 1.00 0.00 C ATOM 1190 O TYR A 75 -6.491 0.421 2.546 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.355 0.006 5.765 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.111 -0.537 7.155 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.928 -0.264 7.831 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.063 -1.322 7.793 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.700 -0.758 9.100 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.844 -1.820 9.063 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.661 -1.536 9.712 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.438 -2.029 10.977 1.00 0.00 O ATOM 0 H TYR A 75 -4.994 0.761 4.904 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.544 -1.751 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.146 1.076 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.410 -0.114 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.174 0.345 7.355 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.990 -1.547 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.774 -0.537 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.595 -2.428 9.545 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.295 -1.284 11.598 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.220 -0.949 2.988 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.867 -0.727 1.701 1.00 0.00 C ATOM 1210 C ALA A 76 -10.364 -0.492 1.874 1.00 0.00 C ATOM 1211 O ALA A 76 -10.975 -0.991 2.819 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.619 -1.907 0.774 1.00 0.00 C ATOM 0 H ALA A 76 -8.718 -1.591 3.605 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.434 0.168 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.108 -1.727 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.547 -2.027 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.024 -2.814 1.223 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.949 0.270 0.955 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.375 0.571 1.008 1.00 0.00 C ATOM 1220 C GLU A 77 -13.163 -0.369 0.100 1.00 0.00 C ATOM 1221 O GLU A 77 -12.652 -0.845 -0.914 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.628 2.023 0.599 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.846 2.640 1.266 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.176 4.016 0.721 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.856 4.280 -0.457 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.755 4.828 1.473 1.00 0.00 O ATOM 0 H GLU A 77 -10.458 0.690 0.166 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.713 0.426 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.749 2.619 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.754 2.070 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.704 1.983 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.671 2.711 2.339 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.412 -0.633 0.472 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.272 -1.515 -0.308 1.00 0.00 C ATOM 1235 C VAL A 78 -16.057 -0.733 -1.355 1.00 0.00 C ATOM 1236 O VAL A 78 -17.013 -1.243 -1.938 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.260 -2.277 0.595 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.932 -3.401 -0.179 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.549 -2.817 1.826 1.00 0.00 C ATOM 0 H VAL A 78 -14.851 -0.248 1.309 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.620 -2.232 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 78 -17.033 -1.583 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.627 -3.928 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.477 -2.984 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.175 -4.097 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.262 -3.352 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.754 -3.497 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.120 -1.989 2.391 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.645 0.509 -1.589 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.308 1.362 -2.568 1.00 0.00 C ATOM 1251 C ALA A 79 -15.548 1.373 -3.890 1.00 0.00 C ATOM 1252 O ALA A 79 -16.097 1.739 -4.930 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.449 2.777 -2.026 1.00 0.00 C ATOM 0 H ALA A 79 -14.855 0.947 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.302 0.955 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.946 3.403 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.041 2.759 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.461 3.184 -1.811 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.283 0.970 -3.843 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.447 0.934 -5.038 1.00 0.00 C ATOM 1261 C ASP A 80 -13.245 -0.501 -5.516 1.00 0.00 C ATOM 1262 O ASP A 80 -13.193 -0.764 -6.718 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.093 1.587 -4.759 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.162 3.101 -4.791 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.552 3.699 -3.767 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.826 3.688 -5.841 1.00 0.00 O ATOM 0 H ASP A 80 -13.814 0.664 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.955 1.492 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.731 1.263 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.368 1.244 -5.497 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.131 -1.424 -4.568 1.00 0.00 N ATOM 1272 CA LEU A 81 -12.934 -2.833 -4.892 1.00 0.00 C ATOM 1273 C LEU A 81 -13.906 -3.283 -5.978 1.00 0.00 C ATOM 1274 O LEU A 81 -14.983 -2.714 -6.156 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.114 -3.694 -3.641 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.956 -3.678 -2.642 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.418 -4.176 -1.282 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.797 -4.519 -3.156 1.00 0.00 C ATOM 0 H LEU A 81 -13.172 -1.223 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.918 -2.956 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.017 -3.366 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.283 -4.724 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.611 -2.650 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.581 -4.158 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.215 -3.532 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.790 -5.196 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.982 -4.496 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.128 -5.548 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.449 -4.116 -4.107 1.00 0.00 H new