USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 46 THR OG1 : rot -90:sc= 1.78 USER MOD Set 1.2: A 51 THR OG1 : rot -97:sc= 1.24 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 37 MET CE :methyl -170:sc= 0 (180deg=-0.259) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 20 THR OG1 : rot -129:sc= 0.04 USER MOD Single : A 25 TYR OH : rot -153:sc= 0.964 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 82:sc= 0.443 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.084) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 74:sc= 1.03 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -141:sc= 0.464 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.432 -3.309 -0.759 1.00 0.00 N ATOM 60 CA GLY A 7 -10.088 -2.831 -0.494 1.00 0.00 C ATOM 61 C GLY A 7 -10.026 -1.914 0.711 1.00 0.00 C ATOM 62 O GLY A 7 -10.842 -1.002 0.851 1.00 0.00 O ATOM 0 HA2 GLY A 7 -9.428 -3.683 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.715 -2.300 -1.370 1.00 0.00 H new ATOM 66 N LYS A 8 -9.056 -2.155 1.587 1.00 0.00 N ATOM 67 CA LYS A 8 -8.889 -1.345 2.788 1.00 0.00 C ATOM 68 C LYS A 8 -8.098 -0.077 2.483 1.00 0.00 C ATOM 69 O LYS A 8 -7.315 -0.035 1.534 1.00 0.00 O ATOM 70 CB LYS A 8 -8.181 -2.151 3.878 1.00 0.00 C ATOM 71 CG LYS A 8 -9.102 -3.094 4.633 1.00 0.00 C ATOM 72 CD LYS A 8 -9.558 -4.248 3.757 1.00 0.00 C ATOM 73 CE LYS A 8 -9.973 -5.451 4.590 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.827 -6.363 4.857 1.00 0.00 N ATOM 0 H LYS A 8 -8.373 -2.906 1.487 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.879 -1.058 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.375 -2.729 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.720 -1.462 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.585 -3.484 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.971 -2.544 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.395 -3.927 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.752 -4.533 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.394 -5.110 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.759 -5.999 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.151 -7.170 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.441 -6.709 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.087 -5.848 5.375 1.00 0.00 H new ATOM 88 N VAL A 9 -8.306 0.955 3.294 1.00 0.00 N ATOM 89 CA VAL A 9 -7.610 2.223 3.113 1.00 0.00 C ATOM 90 C VAL A 9 -6.672 2.507 4.280 1.00 0.00 C ATOM 91 O VAL A 9 -7.111 2.887 5.366 1.00 0.00 O ATOM 92 CB VAL A 9 -8.602 3.393 2.970 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.859 4.717 2.884 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.492 3.191 1.753 1.00 0.00 C ATOM 0 H VAL A 9 -8.952 0.938 4.084 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.028 2.136 2.196 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.237 3.418 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.577 5.531 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.269 4.863 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.197 4.707 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.186 4.027 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.875 3.138 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.053 2.263 1.863 1.00 0.00 H new ATOM 104 N PHE A 10 -5.376 2.320 4.049 1.00 0.00 N ATOM 105 CA PHE A 10 -4.374 2.556 5.082 1.00 0.00 C ATOM 106 C PHE A 10 -3.635 3.868 4.834 1.00 0.00 C ATOM 107 O PHE A 10 -3.340 4.220 3.692 1.00 0.00 O ATOM 108 CB PHE A 10 -3.376 1.396 5.128 1.00 0.00 C ATOM 109 CG PHE A 10 -3.910 0.174 5.818 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.875 -0.614 5.213 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.446 -0.188 7.073 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.368 -1.739 5.846 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.934 -1.313 7.711 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.896 -2.090 7.096 1.00 0.00 C ATOM 0 H PHE A 10 -4.996 2.006 3.156 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.886 2.624 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.090 1.133 4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.471 1.726 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.247 -0.346 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.694 0.416 7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.122 -2.344 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.564 -1.584 8.689 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.279 -2.970 7.591 1.00 0.00 H new ATOM 124 N ARG A 11 -3.341 4.587 5.912 1.00 0.00 N ATOM 125 CA ARG A 11 -2.639 5.861 5.813 1.00 0.00 C ATOM 126 C ARG A 11 -1.197 5.725 6.292 1.00 0.00 C ATOM 127 O ARG A 11 -0.915 5.003 7.247 1.00 0.00 O ATOM 128 CB ARG A 11 -3.362 6.931 6.633 1.00 0.00 C ATOM 129 CG ARG A 11 -2.592 8.237 6.742 1.00 0.00 C ATOM 130 CD ARG A 11 -3.511 9.398 7.089 1.00 0.00 C ATOM 131 NE ARG A 11 -3.939 9.359 8.485 1.00 0.00 N ATOM 132 CZ ARG A 11 -3.214 9.837 9.490 1.00 0.00 C ATOM 133 NH1 ARG A 11 -2.031 10.388 9.254 1.00 0.00 N ATOM 134 NH2 ARG A 11 -3.672 9.765 10.733 1.00 0.00 N ATOM 0 H ARG A 11 -3.578 4.309 6.864 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.629 6.162 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.334 7.128 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.549 6.544 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.819 8.143 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.085 8.442 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.996 10.339 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.387 9.373 6.441 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.845 8.942 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.676 10.445 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.476 10.755 10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.582 9.342 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.114 10.132 11.504 1.00 0.00 H new ATOM 148 N ALA A 12 -0.288 6.425 5.621 1.00 0.00 N ATOM 149 CA ALA A 12 1.125 6.384 5.979 1.00 0.00 C ATOM 150 C ALA A 12 1.412 7.277 7.182 1.00 0.00 C ATOM 151 O ALA A 12 1.420 8.504 7.070 1.00 0.00 O ATOM 152 CB ALA A 12 1.982 6.801 4.793 1.00 0.00 C ATOM 0 H ALA A 12 -0.505 7.027 4.827 1.00 0.00 H new ATOM 0 HA ALA A 12 1.376 5.359 6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.034 6.766 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.806 6.120 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.720 7.816 4.494 1.00 0.00 H new ATOM 158 N LEU A 13 1.648 6.655 8.331 1.00 0.00 N ATOM 159 CA LEU A 13 1.936 7.394 9.556 1.00 0.00 C ATOM 160 C LEU A 13 3.193 8.242 9.398 1.00 0.00 C ATOM 161 O LEU A 13 3.322 9.300 10.015 1.00 0.00 O ATOM 162 CB LEU A 13 2.103 6.427 10.730 1.00 0.00 C ATOM 163 CG LEU A 13 0.965 5.429 10.946 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.430 4.268 11.811 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.236 6.119 11.576 1.00 0.00 C ATOM 0 H LEU A 13 1.646 5.641 8.441 1.00 0.00 H new ATOM 0 HA LEU A 13 1.096 8.058 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.027 5.868 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.224 7.012 11.642 1.00 0.00 H new ATOM 0 HG LEU A 13 0.664 5.034 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.607 3.568 11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.259 3.758 11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.758 4.645 12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.037 5.394 11.723 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.051 6.542 12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.584 6.916 10.919 1.00 0.00 H new ATOM 177 N TYR A 14 4.116 7.773 8.565 1.00 0.00 N ATOM 178 CA TYR A 14 5.364 8.489 8.326 1.00 0.00 C ATOM 179 C TYR A 14 5.951 8.119 6.967 1.00 0.00 C ATOM 180 O TYR A 14 5.555 7.127 6.354 1.00 0.00 O ATOM 181 CB TYR A 14 6.374 8.179 9.431 1.00 0.00 C ATOM 182 CG TYR A 14 5.736 7.886 10.770 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.314 6.602 11.094 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.554 8.892 11.711 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.729 6.329 12.316 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.972 8.628 12.936 1.00 0.00 C ATOM 187 CZ TYR A 14 4.561 7.345 13.233 1.00 0.00 C ATOM 188 OH TYR A 14 3.980 7.078 14.452 1.00 0.00 O ATOM 0 H TYR A 14 4.024 6.901 8.044 1.00 0.00 H new ATOM 0 HA TYR A 14 5.148 9.557 8.331 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.977 7.322 9.130 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.053 9.025 9.539 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.446 5.804 10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.873 9.898 11.481 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.405 5.326 12.551 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.840 9.421 13.657 1.00 0.00 H new ATOM 0 HH TYR A 14 3.937 7.902 14.981 1.00 0.00 H new ATOM 198 N THR A 15 6.899 8.926 6.500 1.00 0.00 N ATOM 199 CA THR A 15 7.541 8.687 5.214 1.00 0.00 C ATOM 200 C THR A 15 8.361 7.401 5.240 1.00 0.00 C ATOM 201 O THR A 15 9.205 7.209 6.115 1.00 0.00 O ATOM 202 CB THR A 15 8.459 9.859 4.817 1.00 0.00 C ATOM 203 OG1 THR A 15 7.694 11.065 4.709 1.00 0.00 O ATOM 204 CG2 THR A 15 9.158 9.576 3.496 1.00 0.00 C ATOM 0 H THR A 15 7.239 9.751 6.994 1.00 0.00 H new ATOM 0 HA THR A 15 6.744 8.593 4.476 1.00 0.00 H new ATOM 0 HB THR A 15 9.216 9.977 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.285 11.806 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.800 10.418 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.762 8.674 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.413 9.434 2.713 1.00 0.00 H new ATOM 212 N PHE A 16 8.107 6.524 4.274 1.00 0.00 N ATOM 213 CA PHE A 16 8.822 5.256 4.186 1.00 0.00 C ATOM 214 C PHE A 16 9.843 5.284 3.052 1.00 0.00 C ATOM 215 O PHE A 16 9.576 5.821 1.978 1.00 0.00 O ATOM 216 CB PHE A 16 7.837 4.105 3.972 1.00 0.00 C ATOM 217 CG PHE A 16 8.499 2.811 3.595 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.376 2.186 4.467 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.246 2.220 2.367 1.00 0.00 C ATOM 220 CE1 PHE A 16 9.987 0.995 4.123 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.854 1.029 2.018 1.00 0.00 C ATOM 222 CZ PHE A 16 9.727 0.417 2.896 1.00 0.00 C ATOM 0 H PHE A 16 7.412 6.668 3.542 1.00 0.00 H new ATOM 0 HA PHE A 16 9.353 5.101 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.261 3.956 4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.130 4.383 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.585 2.635 5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.566 2.695 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.667 0.517 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.647 0.577 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.206 -0.512 2.623 1.00 0.00 H new ATOM 232 N GLU A 17 11.012 4.703 3.302 1.00 0.00 N ATOM 233 CA GLU A 17 12.073 4.663 2.303 1.00 0.00 C ATOM 234 C GLU A 17 12.320 3.233 1.829 1.00 0.00 C ATOM 235 O GLU A 17 13.073 2.472 2.437 1.00 0.00 O ATOM 236 CB GLU A 17 13.364 5.253 2.873 1.00 0.00 C ATOM 237 CG GLU A 17 13.470 6.759 2.708 1.00 0.00 C ATOM 238 CD GLU A 17 13.788 7.169 1.284 1.00 0.00 C ATOM 239 OE1 GLU A 17 13.545 6.359 0.365 1.00 0.00 O ATOM 240 OE2 GLU A 17 14.282 8.299 1.087 1.00 0.00 O ATOM 0 H GLU A 17 11.248 4.254 4.187 1.00 0.00 H new ATOM 0 HA GLU A 17 11.755 5.261 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.429 5.007 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.216 4.782 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.531 7.221 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.245 7.140 3.373 1.00 0.00 H new ATOM 247 N PRO A 18 11.670 2.858 0.717 1.00 0.00 N ATOM 248 CA PRO A 18 11.803 1.519 0.136 1.00 0.00 C ATOM 249 C PRO A 18 13.182 1.285 -0.473 1.00 0.00 C ATOM 250 O PRO A 18 13.553 1.925 -1.457 1.00 0.00 O ATOM 251 CB PRO A 18 10.727 1.496 -0.953 1.00 0.00 C ATOM 252 CG PRO A 18 10.530 2.927 -1.321 1.00 0.00 C ATOM 253 CD PRO A 18 10.757 3.714 -0.060 1.00 0.00 C ATOM 0 HA PRO A 18 11.687 0.736 0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.046 0.906 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.802 1.050 -0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.229 3.229 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.526 3.095 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.199 4.688 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.824 3.895 0.474 1.00 0.00 H new ATOM 261 N ARG A 19 13.936 0.364 0.118 1.00 0.00 N ATOM 262 CA ARG A 19 15.274 0.046 -0.366 1.00 0.00 C ATOM 263 C ARG A 19 15.208 -0.874 -1.581 1.00 0.00 C ATOM 264 O ARG A 19 16.124 -0.900 -2.405 1.00 0.00 O ATOM 265 CB ARG A 19 16.097 -0.613 0.742 1.00 0.00 C ATOM 266 CG ARG A 19 16.602 0.366 1.790 1.00 0.00 C ATOM 267 CD ARG A 19 15.522 0.702 2.806 1.00 0.00 C ATOM 268 NE ARG A 19 15.398 -0.328 3.833 1.00 0.00 N ATOM 269 CZ ARG A 19 14.695 -0.172 4.950 1.00 0.00 C ATOM 270 NH1 ARG A 19 14.056 0.966 5.181 1.00 0.00 N ATOM 271 NH2 ARG A 19 14.630 -1.156 5.837 1.00 0.00 N ATOM 0 H ARG A 19 13.643 -0.175 0.933 1.00 0.00 H new ATOM 0 HA ARG A 19 15.757 0.977 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.489 -1.374 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.949 -1.125 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.464 -0.061 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.941 1.280 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.752 1.658 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.567 0.821 2.294 1.00 0.00 H new ATOM 0 HE ARG A 19 15.877 -1.216 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.103 1.725 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.517 1.083 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.120 -2.033 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.090 -1.035 6.694 1.00 0.00 H new ATOM 285 N THR A 20 14.119 -1.629 -1.687 1.00 0.00 N ATOM 286 CA THR A 20 13.934 -2.552 -2.800 1.00 0.00 C ATOM 287 C THR A 20 13.019 -1.955 -3.863 1.00 0.00 C ATOM 288 O THR A 20 12.102 -1.188 -3.568 1.00 0.00 O ATOM 289 CB THR A 20 13.344 -3.893 -2.325 1.00 0.00 C ATOM 290 OG1 THR A 20 12.029 -3.689 -1.795 1.00 0.00 O ATOM 291 CG2 THR A 20 14.231 -4.530 -1.266 1.00 0.00 C ATOM 0 H THR A 20 13.351 -1.619 -1.015 1.00 0.00 H new ATOM 0 HA THR A 20 14.919 -2.729 -3.231 1.00 0.00 H new ATOM 0 HB THR A 20 13.290 -4.565 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.966 -4.101 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.794 -5.476 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.222 -4.711 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.314 -3.860 -0.410 1.00 0.00 H new ATOM 299 N PRO A 21 13.272 -2.312 -5.131 1.00 0.00 N ATOM 300 CA PRO A 21 12.480 -1.824 -6.264 1.00 0.00 C ATOM 301 C PRO A 21 11.069 -2.403 -6.278 1.00 0.00 C ATOM 302 O PRO A 21 10.231 -2.000 -7.084 1.00 0.00 O ATOM 303 CB PRO A 21 13.269 -2.308 -7.483 1.00 0.00 C ATOM 304 CG PRO A 21 14.024 -3.497 -6.998 1.00 0.00 C ATOM 305 CD PRO A 21 14.349 -3.222 -5.556 1.00 0.00 C ATOM 0 HA PRO A 21 12.343 -0.743 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.604 -2.570 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.943 -1.534 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.428 -4.404 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.933 -3.647 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.358 -4.138 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.331 -2.762 -5.446 1.00 0.00 H new ATOM 313 N ASP A 22 10.815 -3.350 -5.382 1.00 0.00 N ATOM 314 CA ASP A 22 9.505 -3.983 -5.291 1.00 0.00 C ATOM 315 C ASP A 22 8.603 -3.230 -4.318 1.00 0.00 C ATOM 316 O ASP A 22 7.378 -3.317 -4.398 1.00 0.00 O ATOM 317 CB ASP A 22 9.649 -5.440 -4.848 1.00 0.00 C ATOM 318 CG ASP A 22 8.533 -6.320 -5.377 1.00 0.00 C ATOM 319 OD1 ASP A 22 7.359 -5.904 -5.291 1.00 0.00 O ATOM 320 OD2 ASP A 22 8.835 -7.424 -5.877 1.00 0.00 O ATOM 0 H ASP A 22 11.499 -3.696 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 22 9.046 -3.955 -6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.608 -5.828 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.659 -5.486 -3.759 1.00 0.00 H new ATOM 325 N GLU A 23 9.218 -2.491 -3.400 1.00 0.00 N ATOM 326 CA GLU A 23 8.470 -1.724 -2.411 1.00 0.00 C ATOM 327 C GLU A 23 7.959 -0.416 -3.009 1.00 0.00 C ATOM 328 O GLU A 23 8.456 0.045 -4.037 1.00 0.00 O ATOM 329 CB GLU A 23 9.346 -1.431 -1.191 1.00 0.00 C ATOM 330 CG GLU A 23 9.615 -2.653 -0.327 1.00 0.00 C ATOM 331 CD GLU A 23 10.909 -2.540 0.455 1.00 0.00 C ATOM 332 OE1 GLU A 23 11.241 -1.420 0.897 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.589 -3.574 0.627 1.00 0.00 O ATOM 0 H GLU A 23 10.231 -2.407 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 23 7.613 -2.321 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.297 -1.018 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.863 -0.666 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.786 -2.792 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.653 -3.540 -0.960 1.00 0.00 H new ATOM 340 N LEU A 24 6.964 0.176 -2.358 1.00 0.00 N ATOM 341 CA LEU A 24 6.384 1.430 -2.825 1.00 0.00 C ATOM 342 C LEU A 24 6.768 2.584 -1.904 1.00 0.00 C ATOM 343 O LEU A 24 6.580 2.511 -0.689 1.00 0.00 O ATOM 344 CB LEU A 24 4.861 1.312 -2.905 1.00 0.00 C ATOM 345 CG LEU A 24 4.109 2.585 -3.295 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.272 2.868 -4.780 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.636 2.467 -2.931 1.00 0.00 C ATOM 0 H LEU A 24 6.542 -0.192 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 24 6.779 1.636 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.614 0.533 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.491 0.978 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 24 4.535 3.420 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.730 3.778 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.329 2.997 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.874 2.032 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.116 3.382 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.197 1.621 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.538 2.314 -1.856 1.00 0.00 H new ATOM 359 N TYR A 25 7.306 3.648 -2.490 1.00 0.00 N ATOM 360 CA TYR A 25 7.716 4.817 -1.721 1.00 0.00 C ATOM 361 C TYR A 25 6.540 5.763 -1.499 1.00 0.00 C ATOM 362 O TYR A 25 5.847 6.143 -2.442 1.00 0.00 O ATOM 363 CB TYR A 25 8.849 5.553 -2.440 1.00 0.00 C ATOM 364 CG TYR A 25 8.980 7.004 -2.036 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.781 7.378 -0.964 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.302 8.002 -2.725 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.904 8.702 -0.590 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.419 9.329 -2.360 1.00 0.00 C ATOM 369 CZ TYR A 25 9.221 9.674 -1.292 1.00 0.00 C ATOM 370 OH TYR A 25 9.340 10.995 -0.924 1.00 0.00 O ATOM 0 H TYR A 25 7.468 3.725 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 25 8.072 4.475 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.790 5.042 -2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.682 5.498 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.317 6.620 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.672 7.735 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.531 8.975 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.886 10.092 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 25 8.529 11.481 -1.183 1.00 0.00 H new ATOM 380 N PHE A 26 6.323 6.141 -0.243 1.00 0.00 N ATOM 381 CA PHE A 26 5.231 7.042 0.106 1.00 0.00 C ATOM 382 C PHE A 26 5.682 8.066 1.144 1.00 0.00 C ATOM 383 O PHE A 26 6.713 7.894 1.792 1.00 0.00 O ATOM 384 CB PHE A 26 4.037 6.249 0.640 1.00 0.00 C ATOM 385 CG PHE A 26 4.418 5.185 1.629 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.871 3.949 1.196 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.324 5.420 2.991 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.223 2.967 2.103 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.675 4.443 3.903 1.00 0.00 C ATOM 390 CZ PHE A 26 5.124 3.214 3.459 1.00 0.00 C ATOM 0 H PHE A 26 6.889 5.837 0.549 1.00 0.00 H new ATOM 0 HA PHE A 26 4.930 7.574 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.335 6.937 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.515 5.785 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.950 3.751 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.972 6.378 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.575 2.008 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.598 4.640 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.397 2.448 4.170 1.00 0.00 H new ATOM 400 N GLU A 27 4.900 9.130 1.295 1.00 0.00 N ATOM 401 CA GLU A 27 5.219 10.182 2.253 1.00 0.00 C ATOM 402 C GLU A 27 4.166 10.252 3.355 1.00 0.00 C ATOM 403 O GLU A 27 3.054 9.749 3.198 1.00 0.00 O ATOM 404 CB GLU A 27 5.323 11.534 1.545 1.00 0.00 C ATOM 405 CG GLU A 27 6.581 11.688 0.708 1.00 0.00 C ATOM 406 CD GLU A 27 6.418 12.698 -0.412 1.00 0.00 C ATOM 407 OE1 GLU A 27 5.718 13.710 -0.201 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.991 12.475 -1.499 1.00 0.00 O ATOM 0 H GLU A 27 4.042 9.286 0.767 1.00 0.00 H new ATOM 0 HA GLU A 27 6.181 9.944 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.452 11.667 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.294 12.328 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.405 11.995 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.851 10.721 0.283 1.00 0.00 H new ATOM 415 N GLU A 28 4.525 10.880 4.471 1.00 0.00 N ATOM 416 CA GLU A 28 3.612 11.014 5.599 1.00 0.00 C ATOM 417 C GLU A 28 2.282 11.617 5.154 1.00 0.00 C ATOM 418 O GLU A 28 2.240 12.714 4.599 1.00 0.00 O ATOM 419 CB GLU A 28 4.239 11.884 6.690 1.00 0.00 C ATOM 420 CG GLU A 28 3.346 12.074 7.905 1.00 0.00 C ATOM 421 CD GLU A 28 3.855 13.154 8.840 1.00 0.00 C ATOM 422 OE1 GLU A 28 4.645 12.826 9.750 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.464 14.327 8.662 1.00 0.00 O ATOM 0 H GLU A 28 5.441 11.303 4.617 1.00 0.00 H new ATOM 0 HA GLU A 28 3.423 10.019 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.179 11.433 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.480 12.861 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.339 12.329 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.274 11.132 8.449 1.00 0.00 H new ATOM 430 N GLY A 29 1.197 10.889 5.401 1.00 0.00 N ATOM 431 CA GLY A 29 -0.119 11.367 5.019 1.00 0.00 C ATOM 432 C GLY A 29 -0.453 11.053 3.574 1.00 0.00 C ATOM 433 O GLY A 29 -0.838 11.940 2.813 1.00 0.00 O ATOM 0 H GLY A 29 1.206 9.977 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.869 10.915 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.170 12.445 5.175 1.00 0.00 H new ATOM 437 N ASP A 30 -0.303 9.788 3.196 1.00 0.00 N ATOM 438 CA ASP A 30 -0.591 9.360 1.832 1.00 0.00 C ATOM 439 C ASP A 30 -1.537 8.163 1.827 1.00 0.00 C ATOM 440 O ASP A 30 -1.276 7.150 2.475 1.00 0.00 O ATOM 441 CB ASP A 30 0.706 9.003 1.102 1.00 0.00 C ATOM 442 CG ASP A 30 1.318 10.196 0.395 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.948 10.448 -0.771 1.00 0.00 O ATOM 444 OD2 ASP A 30 2.169 10.876 1.006 1.00 0.00 O ATOM 0 H ASP A 30 0.016 9.042 3.814 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.076 10.187 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.423 8.601 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.506 8.216 0.375 1.00 0.00 H new ATOM 449 N ILE A 31 -2.638 8.289 1.092 1.00 0.00 N ATOM 450 CA ILE A 31 -3.623 7.219 1.003 1.00 0.00 C ATOM 451 C ILE A 31 -3.037 5.988 0.319 1.00 0.00 C ATOM 452 O ILE A 31 -2.288 6.103 -0.652 1.00 0.00 O ATOM 453 CB ILE A 31 -4.878 7.671 0.234 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.473 8.925 0.878 1.00 0.00 C ATOM 455 CG2 ILE A 31 -5.907 6.551 0.194 1.00 0.00 C ATOM 456 CD1 ILE A 31 -5.881 8.728 2.321 1.00 0.00 C ATOM 0 H ILE A 31 -2.869 9.122 0.550 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.905 6.965 2.025 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.592 7.912 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.744 9.733 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.343 9.241 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.788 6.886 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.479 5.681 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.192 6.282 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.294 9.658 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.634 7.942 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.009 8.442 2.910 1.00 0.00 H new ATOM 468 N ILE A 32 -3.384 4.812 0.831 1.00 0.00 N ATOM 469 CA ILE A 32 -2.895 3.560 0.267 1.00 0.00 C ATOM 470 C ILE A 32 -4.002 2.513 0.210 1.00 0.00 C ATOM 471 O ILE A 32 -4.864 2.458 1.087 1.00 0.00 O ATOM 472 CB ILE A 32 -1.715 2.999 1.083 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.640 4.071 1.270 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.133 1.772 0.397 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.340 3.758 2.379 1.00 0.00 C ATOM 0 H ILE A 32 -4.002 4.700 1.635 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.555 3.781 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.081 2.703 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.092 4.191 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.123 5.025 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.300 1.387 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.902 1.004 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.779 2.045 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.073 4.561 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.196 3.667 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.850 2.820 2.160 1.00 0.00 H new ATOM 487 N TYR A 33 -3.971 1.684 -0.827 1.00 0.00 N ATOM 488 CA TYR A 33 -4.973 0.639 -1.000 1.00 0.00 C ATOM 489 C TYR A 33 -4.354 -0.744 -0.817 1.00 0.00 C ATOM 490 O TYR A 33 -3.522 -1.174 -1.615 1.00 0.00 O ATOM 491 CB TYR A 33 -5.616 0.743 -2.384 1.00 0.00 C ATOM 492 CG TYR A 33 -6.841 1.628 -2.418 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.727 2.999 -2.611 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.113 1.092 -2.258 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.844 3.811 -2.641 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.236 1.897 -2.288 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.096 3.255 -2.480 1.00 0.00 C ATOM 498 OH TYR A 33 -10.211 4.061 -2.511 1.00 0.00 O ATOM 0 H TYR A 33 -3.263 1.715 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.741 0.778 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.880 1.129 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.890 -0.256 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.748 3.437 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.226 0.028 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.738 4.875 -2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.218 1.465 -2.162 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.014 3.514 -2.383 1.00 0.00 H new ATOM 508 N ILE A 34 -4.768 -1.434 0.240 1.00 0.00 N ATOM 509 CA ILE A 34 -4.257 -2.769 0.528 1.00 0.00 C ATOM 510 C ILE A 34 -5.300 -3.836 0.215 1.00 0.00 C ATOM 511 O ILE A 34 -6.203 -4.091 1.013 1.00 0.00 O ATOM 512 CB ILE A 34 -3.829 -2.901 2.002 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.816 -1.813 2.362 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.245 -4.282 2.261 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.463 -2.009 1.715 1.00 0.00 C ATOM 0 H ILE A 34 -5.455 -1.091 0.911 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.386 -2.919 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.709 -2.774 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.215 -0.843 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.692 -1.788 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.947 -4.361 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.995 -5.042 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.374 -4.434 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.796 -1.201 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.043 -2.963 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.574 -2.004 0.631 1.00 0.00 H new ATOM 527 N THR A 35 -5.169 -4.460 -0.951 1.00 0.00 N ATOM 528 CA THR A 35 -6.099 -5.501 -1.370 1.00 0.00 C ATOM 529 C THR A 35 -5.530 -6.889 -1.096 1.00 0.00 C ATOM 530 O THR A 35 -6.273 -7.831 -0.821 1.00 0.00 O ATOM 531 CB THR A 35 -6.436 -5.383 -2.868 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.256 -5.587 -3.654 1.00 0.00 O ATOM 533 CG2 THR A 35 -7.032 -4.020 -3.183 1.00 0.00 C ATOM 0 H THR A 35 -4.427 -4.262 -1.623 1.00 0.00 H new ATOM 0 HA THR A 35 -7.011 -5.364 -0.788 1.00 0.00 H new ATOM 0 HB THR A 35 -7.172 -6.149 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.480 -5.512 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.262 -3.960 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.946 -3.880 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.316 -3.241 -2.922 1.00 0.00 H new ATOM 541 N ASP A 36 -4.209 -7.008 -1.173 1.00 0.00 N ATOM 542 CA ASP A 36 -3.541 -8.281 -0.931 1.00 0.00 C ATOM 543 C ASP A 36 -2.807 -8.264 0.406 1.00 0.00 C ATOM 544 O ASP A 36 -1.847 -7.517 0.589 1.00 0.00 O ATOM 545 CB ASP A 36 -2.558 -8.588 -2.063 1.00 0.00 C ATOM 546 CG ASP A 36 -3.222 -9.292 -3.230 1.00 0.00 C ATOM 547 OD1 ASP A 36 -4.142 -8.702 -3.834 1.00 0.00 O ATOM 548 OD2 ASP A 36 -2.820 -10.433 -3.541 1.00 0.00 O ATOM 0 H ASP A 36 -3.580 -6.238 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.301 -9.062 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.108 -7.659 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.749 -9.210 -1.680 1.00 0.00 H new ATOM 553 N MET A 37 -3.267 -9.093 1.338 1.00 0.00 N ATOM 554 CA MET A 37 -2.654 -9.173 2.659 1.00 0.00 C ATOM 555 C MET A 37 -2.093 -10.568 2.914 1.00 0.00 C ATOM 556 O MET A 37 -2.098 -11.052 4.046 1.00 0.00 O ATOM 557 CB MET A 37 -3.674 -8.814 3.741 1.00 0.00 C ATOM 558 CG MET A 37 -3.916 -7.320 3.876 1.00 0.00 C ATOM 559 SD MET A 37 -5.364 -6.939 4.882 1.00 0.00 S ATOM 560 CE MET A 37 -5.252 -5.154 4.975 1.00 0.00 C ATOM 0 H MET A 37 -4.061 -9.718 1.203 1.00 0.00 H new ATOM 0 HA MET A 37 -1.832 -8.458 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.619 -9.308 3.516 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.329 -9.206 4.698 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.037 -6.852 4.319 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.043 -6.885 2.884 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.970 -4.782 5.706 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.245 -4.868 5.277 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.474 -4.724 3.998 1.00 0.00 H new ATOM 570 N SER A 38 -1.612 -11.211 1.855 1.00 0.00 N ATOM 571 CA SER A 38 -1.052 -12.553 1.964 1.00 0.00 C ATOM 572 C SER A 38 -0.055 -12.633 3.117 1.00 0.00 C ATOM 573 O SER A 38 -0.081 -13.575 3.909 1.00 0.00 O ATOM 574 CB SER A 38 -0.367 -12.951 0.655 1.00 0.00 C ATOM 575 OG SER A 38 0.813 -12.195 0.446 1.00 0.00 O ATOM 0 H SER A 38 -1.599 -10.824 0.911 1.00 0.00 H new ATOM 0 HA SER A 38 -1.869 -13.246 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.123 -14.013 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.053 -12.799 -0.179 1.00 0.00 H new ATOM 0 HG SER A 38 1.551 -12.595 0.952 1.00 0.00 H new ATOM 581 N ASP A 39 0.821 -11.639 3.203 1.00 0.00 N ATOM 582 CA ASP A 39 1.826 -11.595 4.259 1.00 0.00 C ATOM 583 C ASP A 39 1.485 -10.522 5.289 1.00 0.00 C ATOM 584 O ASP A 39 0.610 -9.686 5.065 1.00 0.00 O ATOM 585 CB ASP A 39 3.210 -11.327 3.664 1.00 0.00 C ATOM 586 CG ASP A 39 3.791 -12.548 2.979 1.00 0.00 C ATOM 587 OD1 ASP A 39 3.250 -12.951 1.928 1.00 0.00 O ATOM 588 OD2 ASP A 39 4.786 -13.101 3.493 1.00 0.00 O ATOM 0 H ASP A 39 0.856 -10.853 2.554 1.00 0.00 H new ATOM 0 HA ASP A 39 1.835 -12.563 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.142 -10.509 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.886 -11.002 4.455 1.00 0.00 H new ATOM 593 N THR A 40 2.183 -10.553 6.421 1.00 0.00 N ATOM 594 CA THR A 40 1.953 -9.586 7.486 1.00 0.00 C ATOM 595 C THR A 40 3.074 -8.554 7.544 1.00 0.00 C ATOM 596 O THR A 40 2.834 -7.377 7.808 1.00 0.00 O ATOM 597 CB THR A 40 1.838 -10.278 8.858 1.00 0.00 C ATOM 598 OG1 THR A 40 1.601 -9.303 9.880 1.00 0.00 O ATOM 599 CG2 THR A 40 3.103 -11.059 9.178 1.00 0.00 C ATOM 0 H THR A 40 2.912 -11.238 6.623 1.00 0.00 H new ATOM 0 HA THR A 40 1.012 -9.085 7.259 1.00 0.00 H new ATOM 0 HB THR A 40 1.000 -10.975 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.528 -9.751 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.998 -11.539 10.151 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.264 -11.820 8.414 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.955 -10.379 9.198 1.00 0.00 H new ATOM 607 N ASN A 41 4.300 -9.004 7.293 1.00 0.00 N ATOM 608 CA ASN A 41 5.458 -8.119 7.316 1.00 0.00 C ATOM 609 C ASN A 41 5.489 -7.230 6.077 1.00 0.00 C ATOM 610 O ASN A 41 5.854 -6.057 6.150 1.00 0.00 O ATOM 611 CB ASN A 41 6.749 -8.936 7.403 1.00 0.00 C ATOM 612 CG ASN A 41 6.803 -9.800 8.648 1.00 0.00 C ATOM 613 OD1 ASN A 41 7.325 -9.385 9.683 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.263 -11.009 8.553 1.00 0.00 N ATOM 0 H ASN A 41 4.516 -9.976 7.072 1.00 0.00 H new ATOM 0 HA ASN A 41 5.379 -7.482 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.835 -9.570 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.605 -8.261 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.270 -11.635 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.841 -11.312 7.675 1.00 0.00 H new ATOM 621 N TRP A 42 5.101 -7.797 4.940 1.00 0.00 N ATOM 622 CA TRP A 42 5.083 -7.056 3.684 1.00 0.00 C ATOM 623 C TRP A 42 3.709 -7.130 3.028 1.00 0.00 C ATOM 624 O TRP A 42 3.238 -8.210 2.672 1.00 0.00 O ATOM 625 CB TRP A 42 6.147 -7.602 2.730 1.00 0.00 C ATOM 626 CG TRP A 42 7.529 -7.111 3.038 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.604 -7.867 3.412 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.985 -5.754 3.002 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.699 -7.062 3.609 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.346 -5.762 3.363 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.376 -4.534 2.697 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.105 -4.596 3.429 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.130 -3.378 2.762 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.483 -3.416 3.125 1.00 0.00 C ATOM 0 H TRP A 42 4.795 -8.767 4.862 1.00 0.00 H new ATOM 0 HA TRP A 42 5.304 -6.012 3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.138 -8.691 2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.888 -7.321 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.594 -8.940 3.535 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.625 -7.381 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.334 -4.495 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.147 -4.622 3.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.669 -2.429 2.529 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.046 -2.495 3.166 1.00 0.00 H new ATOM 645 N TRP A 43 3.071 -5.976 2.870 1.00 0.00 N ATOM 646 CA TRP A 43 1.749 -5.911 2.256 1.00 0.00 C ATOM 647 C TRP A 43 1.839 -5.392 0.825 1.00 0.00 C ATOM 648 O TRP A 43 2.819 -4.750 0.447 1.00 0.00 O ATOM 649 CB TRP A 43 0.825 -5.013 3.080 1.00 0.00 C ATOM 650 CG TRP A 43 0.291 -5.682 4.311 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.330 -7.015 4.602 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.364 -5.047 5.415 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.262 -7.248 5.820 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.694 -6.057 6.340 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.701 -3.724 5.713 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.346 -5.783 7.539 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.349 -3.454 6.904 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.665 -4.479 7.806 1.00 0.00 C ATOM 0 H TRP A 43 3.447 -5.073 3.158 1.00 0.00 H new ATOM 0 HA TRP A 43 1.337 -6.920 2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.368 -4.114 3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.010 -4.694 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.763 -7.775 3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.363 -8.160 6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.460 -2.927 5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.592 -6.572 8.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.616 -2.435 7.143 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.170 -4.235 8.729 1.00 0.00 H new ATOM 669 N LYS A 44 0.810 -5.673 0.033 1.00 0.00 N ATOM 670 CA LYS A 44 0.772 -5.234 -1.357 1.00 0.00 C ATOM 671 C LYS A 44 -0.386 -4.269 -1.590 1.00 0.00 C ATOM 672 O LYS A 44 -1.552 -4.642 -1.466 1.00 0.00 O ATOM 673 CB LYS A 44 0.642 -6.439 -2.291 1.00 0.00 C ATOM 674 CG LYS A 44 1.286 -6.227 -3.650 1.00 0.00 C ATOM 675 CD LYS A 44 1.206 -7.480 -4.506 1.00 0.00 C ATOM 676 CE LYS A 44 2.348 -7.543 -5.509 1.00 0.00 C ATOM 677 NZ LYS A 44 2.083 -6.698 -6.706 1.00 0.00 N ATOM 0 H LYS A 44 -0.009 -6.203 0.330 1.00 0.00 H new ATOM 0 HA LYS A 44 1.705 -4.714 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.096 -7.308 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.415 -6.668 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.792 -5.402 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.330 -5.941 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.233 -8.362 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.254 -7.500 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.270 -7.215 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.501 -8.576 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.885 -6.768 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.217 -7.027 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.962 -5.708 -6.412 1.00 0.00 H new ATOM 691 N GLY A 45 -0.057 -3.027 -1.931 1.00 0.00 N ATOM 692 CA GLY A 45 -1.081 -2.029 -2.178 1.00 0.00 C ATOM 693 C GLY A 45 -0.640 -0.982 -3.182 1.00 0.00 C ATOM 694 O GLY A 45 0.524 -0.944 -3.581 1.00 0.00 O ATOM 0 H GLY A 45 0.901 -2.694 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.983 -2.521 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.342 -1.541 -1.239 1.00 0.00 H new ATOM 698 N THR A 46 -1.573 -0.128 -3.593 1.00 0.00 N ATOM 699 CA THR A 46 -1.276 0.922 -4.559 1.00 0.00 C ATOM 700 C THR A 46 -1.645 2.295 -4.008 1.00 0.00 C ATOM 701 O THR A 46 -2.746 2.493 -3.495 1.00 0.00 O ATOM 702 CB THR A 46 -2.026 0.695 -5.885 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.330 -0.269 -6.682 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.163 1.997 -6.659 1.00 0.00 C ATOM 0 H THR A 46 -2.541 -0.143 -3.271 1.00 0.00 H new ATOM 0 HA THR A 46 -0.203 0.884 -4.747 1.00 0.00 H new ATOM 0 HB THR A 46 -3.024 0.322 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.678 0.188 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.696 1.812 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.719 2.719 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.173 2.395 -6.880 1.00 0.00 H new ATOM 712 N SER A 47 -0.717 3.241 -4.120 1.00 0.00 N ATOM 713 CA SER A 47 -0.944 4.595 -3.630 1.00 0.00 C ATOM 714 C SER A 47 -0.913 5.600 -4.777 1.00 0.00 C ATOM 715 O SER A 47 -1.955 6.078 -5.229 1.00 0.00 O ATOM 716 CB SER A 47 0.110 4.966 -2.584 1.00 0.00 C ATOM 717 OG SER A 47 0.003 6.329 -2.213 1.00 0.00 O ATOM 0 H SER A 47 0.198 3.094 -4.546 1.00 0.00 H new ATOM 0 HA SER A 47 -1.931 4.626 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.010 4.336 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.106 4.771 -2.982 1.00 0.00 H new ATOM 0 HG SER A 47 -0.781 6.451 -1.638 1.00 0.00 H new ATOM 723 N LYS A 48 0.289 5.917 -5.246 1.00 0.00 N ATOM 724 CA LYS A 48 0.459 6.864 -6.341 1.00 0.00 C ATOM 725 C LYS A 48 0.666 6.134 -7.664 1.00 0.00 C ATOM 726 O LYS A 48 1.772 5.695 -7.976 1.00 0.00 O ATOM 727 CB LYS A 48 1.647 7.788 -6.065 1.00 0.00 C ATOM 728 CG LYS A 48 1.364 8.845 -5.012 1.00 0.00 C ATOM 729 CD LYS A 48 2.519 9.823 -4.879 1.00 0.00 C ATOM 730 CE LYS A 48 3.542 9.342 -3.861 1.00 0.00 C ATOM 731 NZ LYS A 48 4.692 10.282 -3.744 1.00 0.00 N ATOM 0 H LYS A 48 1.161 5.531 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.449 7.463 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.497 7.186 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.937 8.280 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.455 9.387 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.182 8.363 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.001 9.952 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.138 10.799 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.062 9.232 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.906 8.356 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.367 9.919 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.165 10.368 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.348 11.216 -3.443 1.00 0.00 H new ATOM 745 N GLY A 49 -0.407 6.008 -8.440 1.00 0.00 N ATOM 746 CA GLY A 49 -0.321 5.331 -9.721 1.00 0.00 C ATOM 747 C GLY A 49 0.777 4.286 -9.752 1.00 0.00 C ATOM 748 O GLY A 49 1.510 4.175 -10.735 1.00 0.00 O ATOM 0 H GLY A 49 -1.334 6.363 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.277 4.856 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.141 6.066 -10.506 1.00 0.00 H new ATOM 752 N ARG A 50 0.891 3.518 -8.673 1.00 0.00 N ATOM 753 CA ARG A 50 1.910 2.479 -8.580 1.00 0.00 C ATOM 754 C ARG A 50 1.415 1.309 -7.735 1.00 0.00 C ATOM 755 O ARG A 50 0.411 1.417 -7.031 1.00 0.00 O ATOM 756 CB ARG A 50 3.196 3.048 -7.979 1.00 0.00 C ATOM 757 CG ARG A 50 3.955 3.967 -8.923 1.00 0.00 C ATOM 758 CD ARG A 50 5.129 4.635 -8.226 1.00 0.00 C ATOM 759 NE ARG A 50 6.320 3.789 -8.226 1.00 0.00 N ATOM 760 CZ ARG A 50 7.543 4.241 -7.975 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.736 5.525 -7.704 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.576 3.409 -7.993 1.00 0.00 N ATOM 0 H ARG A 50 0.291 3.596 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 50 2.118 2.117 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.950 3.597 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.846 2.223 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.316 3.395 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.280 4.729 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.355 5.579 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.853 4.872 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 50 6.206 2.796 -8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.944 6.168 -7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.676 5.870 -7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.431 2.421 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.515 3.758 -7.800 1.00 0.00 H new ATOM 776 N THR A 51 2.128 0.189 -7.809 1.00 0.00 N ATOM 777 CA THR A 51 1.762 -1.002 -7.053 1.00 0.00 C ATOM 778 C THR A 51 3.000 -1.751 -6.574 1.00 0.00 C ATOM 779 O THR A 51 3.694 -2.392 -7.362 1.00 0.00 O ATOM 780 CB THR A 51 0.893 -1.956 -7.894 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.083 -1.209 -8.630 1.00 0.00 O ATOM 782 CG2 THR A 51 0.195 -2.976 -7.007 1.00 0.00 C ATOM 0 H THR A 51 2.963 0.082 -8.385 1.00 0.00 H new ATOM 0 HA THR A 51 1.188 -0.664 -6.190 1.00 0.00 H new ATOM 0 HB THR A 51 1.543 -2.487 -8.589 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.934 -1.214 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.413 -3.639 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.941 -3.562 -6.470 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.444 -2.459 -6.291 1.00 0.00 H new ATOM 790 N GLY A 52 3.271 -1.667 -5.275 1.00 0.00 N ATOM 791 CA GLY A 52 4.426 -2.342 -4.712 1.00 0.00 C ATOM 792 C GLY A 52 4.208 -2.761 -3.272 1.00 0.00 C ATOM 793 O GLY A 52 3.105 -2.631 -2.739 1.00 0.00 O ATOM 0 H GLY A 52 2.711 -1.143 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.657 -3.222 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.292 -1.682 -4.768 1.00 0.00 H new ATOM 797 N LEU A 53 5.261 -3.267 -2.639 1.00 0.00 N ATOM 798 CA LEU A 53 5.180 -3.708 -1.251 1.00 0.00 C ATOM 799 C LEU A 53 5.142 -2.515 -0.301 1.00 0.00 C ATOM 800 O LEU A 53 5.714 -1.462 -0.588 1.00 0.00 O ATOM 801 CB LEU A 53 6.370 -4.607 -0.911 1.00 0.00 C ATOM 802 CG LEU A 53 6.313 -6.032 -1.462 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.598 -6.780 -1.141 1.00 0.00 C ATOM 804 CD2 LEU A 53 5.108 -6.774 -0.900 1.00 0.00 C ATOM 0 H LEU A 53 6.181 -3.382 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 53 4.257 -4.275 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.277 -4.131 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.460 -4.662 0.174 1.00 0.00 H new ATOM 0 HG LEU A 53 6.209 -5.978 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.539 -7.792 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.444 -6.260 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.733 -6.824 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.084 -7.786 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.182 -6.818 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.195 -6.250 -1.181 1.00 0.00 H new ATOM 816 N ILE A 54 4.467 -2.687 0.830 1.00 0.00 N ATOM 817 CA ILE A 54 4.358 -1.625 1.823 1.00 0.00 C ATOM 818 C ILE A 54 4.484 -2.180 3.238 1.00 0.00 C ATOM 819 O ILE A 54 3.898 -3.206 3.583 1.00 0.00 O ATOM 820 CB ILE A 54 3.021 -0.872 1.697 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.685 -0.628 0.224 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.081 0.445 2.457 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.241 -0.244 -0.011 1.00 0.00 C ATOM 0 H ILE A 54 3.987 -3.551 1.082 1.00 0.00 H new ATOM 0 HA ILE A 54 5.176 -0.931 1.633 1.00 0.00 H new ATOM 0 HB ILE A 54 2.233 -1.486 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.330 0.162 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.910 -1.530 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.129 0.966 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.280 0.248 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.878 1.066 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.075 -0.087 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.590 -1.043 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.016 0.675 0.531 1.00 0.00 H new ATOM 835 N PRO A 55 5.267 -1.487 4.078 1.00 0.00 N ATOM 836 CA PRO A 55 5.486 -1.890 5.470 1.00 0.00 C ATOM 837 C PRO A 55 4.239 -1.713 6.329 1.00 0.00 C ATOM 838 O PRO A 55 3.704 -0.610 6.442 1.00 0.00 O ATOM 839 CB PRO A 55 6.598 -0.949 5.941 1.00 0.00 C ATOM 840 CG PRO A 55 6.474 0.251 5.067 1.00 0.00 C ATOM 841 CD PRO A 55 5.996 -0.255 3.734 1.00 0.00 C ATOM 0 HA PRO A 55 5.739 -2.947 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.477 -0.687 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.579 -1.413 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.770 0.969 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.431 0.763 4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.350 0.469 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.828 -0.456 3.059 1.00 0.00 H new ATOM 849 N SER A 56 3.782 -2.805 6.933 1.00 0.00 N ATOM 850 CA SER A 56 2.595 -2.770 7.779 1.00 0.00 C ATOM 851 C SER A 56 2.892 -2.072 9.103 1.00 0.00 C ATOM 852 O SER A 56 2.030 -1.980 9.976 1.00 0.00 O ATOM 853 CB SER A 56 2.087 -4.189 8.040 1.00 0.00 C ATOM 854 OG SER A 56 2.747 -4.771 9.151 1.00 0.00 O ATOM 0 H SER A 56 4.216 -3.725 6.852 1.00 0.00 H new ATOM 0 HA SER A 56 1.823 -2.206 7.256 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.013 -4.166 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.247 -4.804 7.155 1.00 0.00 H new ATOM 0 HG SER A 56 2.917 -5.719 8.971 1.00 0.00 H new ATOM 860 N ASN A 57 4.119 -1.583 9.244 1.00 0.00 N ATOM 861 CA ASN A 57 4.532 -0.893 10.461 1.00 0.00 C ATOM 862 C ASN A 57 4.319 0.612 10.333 1.00 0.00 C ATOM 863 O ASN A 57 3.980 1.286 11.306 1.00 0.00 O ATOM 864 CB ASN A 57 6.003 -1.187 10.765 1.00 0.00 C ATOM 865 CG ASN A 57 6.204 -2.564 11.369 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.729 -2.847 12.468 1.00 0.00 O ATOM 867 ND2 ASN A 57 6.913 -3.427 10.650 1.00 0.00 N ATOM 0 H ASN A 57 4.845 -1.651 8.531 1.00 0.00 H new ATOM 0 HA ASN A 57 3.917 -1.260 11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.584 -1.108 9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.387 -0.432 11.451 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.083 -4.368 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.288 -3.149 9.743 1.00 0.00 H new ATOM 874 N TYR A 58 4.519 1.131 9.127 1.00 0.00 N ATOM 875 CA TYR A 58 4.350 2.557 8.872 1.00 0.00 C ATOM 876 C TYR A 58 2.874 2.912 8.719 1.00 0.00 C ATOM 877 O TYR A 58 2.412 3.930 9.235 1.00 0.00 O ATOM 878 CB TYR A 58 5.117 2.965 7.613 1.00 0.00 C ATOM 879 CG TYR A 58 6.584 3.240 7.860 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.487 2.198 8.031 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.066 4.542 7.921 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.827 2.445 8.258 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.404 4.798 8.146 1.00 0.00 C ATOM 884 CZ TYR A 58 9.281 3.746 8.314 1.00 0.00 C ATOM 885 OH TYR A 58 10.615 3.996 8.538 1.00 0.00 O ATOM 0 H TYR A 58 4.798 0.586 8.311 1.00 0.00 H new ATOM 0 HA TYR A 58 4.750 3.103 9.726 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.024 2.174 6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.655 3.857 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.135 1.178 7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.382 5.368 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.515 1.624 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.762 5.816 8.190 1.00 0.00 H new ATOM 0 HH TYR A 58 10.769 4.964 8.547 1.00 0.00 H new ATOM 895 N VAL A 59 2.139 2.065 8.006 1.00 0.00 N ATOM 896 CA VAL A 59 0.715 2.287 7.785 1.00 0.00 C ATOM 897 C VAL A 59 -0.124 1.535 8.812 1.00 0.00 C ATOM 898 O VAL A 59 0.335 0.563 9.412 1.00 0.00 O ATOM 899 CB VAL A 59 0.291 1.847 6.371 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.322 2.287 5.343 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.086 0.341 6.321 1.00 0.00 C ATOM 0 H VAL A 59 2.506 1.218 7.571 1.00 0.00 H new ATOM 0 HA VAL A 59 0.541 3.358 7.892 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.657 2.328 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.005 1.967 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.414 3.373 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.286 1.837 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.213 0.048 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.017 -0.162 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.693 0.056 7.029 1.00 0.00 H new ATOM 911 N ALA A 60 -1.356 1.991 9.011 1.00 0.00 N ATOM 912 CA ALA A 60 -2.260 1.360 9.963 1.00 0.00 C ATOM 913 C ALA A 60 -3.714 1.525 9.533 1.00 0.00 C ATOM 914 O ALA A 60 -4.061 2.484 8.845 1.00 0.00 O ATOM 915 CB ALA A 60 -2.051 1.941 11.354 1.00 0.00 C ATOM 0 H ALA A 60 -1.751 2.796 8.525 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.034 0.294 9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.733 1.460 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.023 1.766 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.247 3.013 11.334 1.00 0.00 H new ATOM 921 N GLU A 61 -4.558 0.584 9.942 1.00 0.00 N ATOM 922 CA GLU A 61 -5.974 0.625 9.596 1.00 0.00 C ATOM 923 C GLU A 61 -6.593 1.961 9.996 1.00 0.00 C ATOM 924 O GLU A 61 -6.575 2.339 11.168 1.00 0.00 O ATOM 925 CB GLU A 61 -6.723 -0.521 10.280 1.00 0.00 C ATOM 926 CG GLU A 61 -8.191 -0.602 9.897 1.00 0.00 C ATOM 927 CD GLU A 61 -8.818 -1.932 10.269 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.693 -2.890 9.477 1.00 0.00 O ATOM 929 OE2 GLU A 61 -9.433 -2.015 11.352 1.00 0.00 O ATOM 0 H GLU A 61 -4.286 -0.216 10.513 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.061 0.512 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.238 -1.464 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.644 -0.402 11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.736 0.203 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.292 -0.445 8.823 1.00 0.00 H new