USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.808 X(o=-0.81,f=-0.79) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -51:sc= -0.66 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.22! X(o=-2.2!,f=-2.1) USER MOD Single : A 41 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -162:sc= -0.102 (180deg=-0.531) USER MOD Single : A 48 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=-0.0021) USER MOD Single : A 50 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.05) USER MOD Single : A 51 SER OG : rot 34:sc= 0.943 USER MOD Single : A 57 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.71) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.416 2.622 8.740 1.00 0.00 N ATOM 60 CA GLY A 7 8.652 3.769 8.285 1.00 0.00 C ATOM 61 C GLY A 7 7.187 3.444 8.076 1.00 0.00 C ATOM 62 O GLY A 7 6.658 2.479 8.629 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.742 4.574 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.076 4.137 7.351 1.00 0.00 H new ATOM 66 N PRO A 8 6.505 4.263 7.262 1.00 0.00 N ATOM 67 CA PRO A 8 5.081 4.078 6.964 1.00 0.00 C ATOM 68 C PRO A 8 4.825 2.848 6.101 1.00 0.00 C ATOM 69 O PRO A 8 5.355 2.732 4.995 1.00 0.00 O ATOM 70 CB PRO A 8 4.710 5.353 6.202 1.00 0.00 C ATOM 71 CG PRO A 8 5.990 5.820 5.599 1.00 0.00 C ATOM 72 CD PRO A 8 7.071 5.433 6.570 1.00 0.00 C ATOM 0 HA PRO A 8 4.492 3.918 7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.961 5.152 5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.289 6.105 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.155 5.357 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.976 6.898 5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.001 5.186 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.295 6.242 7.266 1.00 0.00 H new ATOM 80 N CYS A 9 4.010 1.932 6.612 1.00 0.00 N ATOM 81 CA CYS A 9 3.684 0.709 5.888 1.00 0.00 C ATOM 82 C CYS A 9 2.206 0.363 6.042 1.00 0.00 C ATOM 83 O CYS A 9 1.494 0.978 6.837 1.00 0.00 O ATOM 84 CB CYS A 9 4.546 -0.451 6.388 1.00 0.00 C ATOM 85 SG CYS A 9 4.155 -0.990 8.069 1.00 0.00 S ATOM 0 H CYS A 9 3.563 2.013 7.525 1.00 0.00 H new ATOM 0 HA CYS A 9 3.891 0.877 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.427 -1.296 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.594 -0.155 6.348 1.00 0.00 H new ATOM 0 HG CYS A 9 4.935 -1.976 8.401 1.00 0.00 H new ATOM 91 N CYS A 10 1.752 -0.623 5.277 1.00 0.00 N ATOM 92 CA CYS A 10 0.358 -1.049 5.326 1.00 0.00 C ATOM 93 C CYS A 10 0.256 -2.570 5.380 1.00 0.00 C ATOM 94 O CYS A 10 1.171 -3.279 4.961 1.00 0.00 O ATOM 95 CB CYS A 10 -0.403 -0.518 4.111 1.00 0.00 C ATOM 96 SG CYS A 10 0.062 -1.300 2.549 1.00 0.00 S ATOM 0 H CYS A 10 2.329 -1.143 4.615 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.089 -0.640 6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.471 -0.662 4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.235 0.556 4.031 1.00 0.00 H new ATOM 0 HG CYS A 10 1.355 -1.270 2.417 1.00 0.00 H new ATOM 102 N ARG A 11 -0.862 -3.064 5.902 1.00 0.00 N ATOM 103 CA ARG A 11 -1.083 -4.501 6.014 1.00 0.00 C ATOM 104 C ARG A 11 -2.225 -4.948 5.106 1.00 0.00 C ATOM 105 O ARG A 11 -3.299 -4.347 5.102 1.00 0.00 O ATOM 106 CB ARG A 11 -1.390 -4.880 7.464 1.00 0.00 C ATOM 107 CG ARG A 11 -1.713 -6.353 7.653 1.00 0.00 C ATOM 108 CD ARG A 11 -2.192 -6.641 9.067 1.00 0.00 C ATOM 109 NE ARG A 11 -2.006 -8.043 9.433 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.815 -8.619 9.551 1.00 0.00 C ATOM 111 NH1 ARG A 11 0.289 -7.918 9.333 1.00 0.00 N ATOM 112 NH2 ARG A 11 -0.727 -9.900 9.888 1.00 0.00 N ATOM 0 H ARG A 11 -1.629 -2.491 6.254 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.172 -5.009 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.534 -4.622 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.232 -4.284 7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.481 -6.653 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.827 -6.951 7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.650 -6.008 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.247 -6.381 9.152 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.836 -8.610 9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.225 -6.934 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.202 -8.363 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.574 -10.442 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.188 -10.342 9.978 1.00 0.00 H new ATOM 126 N ALA A 12 -1.985 -6.007 4.339 1.00 0.00 N ATOM 127 CA ALA A 12 -2.994 -6.535 3.430 1.00 0.00 C ATOM 128 C ALA A 12 -3.998 -7.411 4.171 1.00 0.00 C ATOM 129 O ALA A 12 -3.628 -8.185 5.056 1.00 0.00 O ATOM 130 CB ALA A 12 -2.333 -7.321 2.307 1.00 0.00 C ATOM 0 H ALA A 12 -1.101 -6.515 4.329 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.535 -5.692 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.099 -7.710 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.661 -6.667 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.765 -8.150 2.729 1.00 0.00 H new ATOM 136 N LEU A 13 -5.269 -7.285 3.807 1.00 0.00 N ATOM 137 CA LEU A 13 -6.327 -8.065 4.439 1.00 0.00 C ATOM 138 C LEU A 13 -6.783 -9.202 3.530 1.00 0.00 C ATOM 139 O LEU A 13 -7.372 -10.181 3.990 1.00 0.00 O ATOM 140 CB LEU A 13 -7.515 -7.165 4.784 1.00 0.00 C ATOM 141 CG LEU A 13 -7.209 -5.961 5.675 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.255 -4.875 5.483 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.137 -6.383 7.135 1.00 0.00 C ATOM 0 H LEU A 13 -5.592 -6.650 3.077 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.927 -8.496 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.952 -6.801 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.274 -7.772 5.277 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.239 -5.557 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.020 -4.026 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.258 -4.552 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.238 -5.267 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.918 -5.513 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.092 -6.813 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.349 -7.125 7.261 1.00 0.00 H new ATOM 155 N TYR A 14 -6.504 -9.067 2.238 1.00 0.00 N ATOM 156 CA TYR A 14 -6.885 -10.082 1.264 1.00 0.00 C ATOM 157 C TYR A 14 -5.925 -10.087 0.078 1.00 0.00 C ATOM 158 O TYR A 14 -5.047 -9.231 -0.027 1.00 0.00 O ATOM 159 CB TYR A 14 -8.315 -9.840 0.776 1.00 0.00 C ATOM 160 CG TYR A 14 -9.363 -10.043 1.847 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.612 -9.061 2.798 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.103 -11.217 1.909 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.568 -9.242 3.779 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.062 -11.407 2.885 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.290 -10.416 3.818 1.00 0.00 C ATOM 166 OH TYR A 14 -12.243 -10.602 4.793 1.00 0.00 O ATOM 0 H TYR A 14 -6.015 -8.264 1.841 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.835 -11.055 1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.392 -8.823 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.524 -10.511 -0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.048 -8.140 2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.925 -11.995 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.749 -8.469 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.630 -12.325 2.918 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.661 -11.481 4.679 1.00 0.00 H new ATOM 176 N ASP A 15 -6.101 -11.057 -0.812 1.00 0.00 N ATOM 177 CA ASP A 15 -5.252 -11.175 -1.992 1.00 0.00 C ATOM 178 C ASP A 15 -5.910 -10.518 -3.202 1.00 0.00 C ATOM 179 O ASP A 15 -7.070 -10.788 -3.514 1.00 0.00 O ATOM 180 CB ASP A 15 -4.958 -12.645 -2.292 1.00 0.00 C ATOM 181 CG ASP A 15 -6.153 -13.365 -2.886 1.00 0.00 C ATOM 182 OD1 ASP A 15 -7.103 -13.661 -2.131 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.138 -13.632 -4.105 1.00 0.00 O ATOM 0 H ASP A 15 -6.824 -11.773 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.313 -10.660 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.118 -12.711 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.655 -13.147 -1.373 1.00 0.00 H new ATOM 188 N PHE A 16 -5.162 -9.654 -3.880 1.00 0.00 N ATOM 189 CA PHE A 16 -5.673 -8.957 -5.054 1.00 0.00 C ATOM 190 C PHE A 16 -4.820 -9.261 -6.282 1.00 0.00 C ATOM 191 O PHE A 16 -3.592 -9.275 -6.208 1.00 0.00 O ATOM 192 CB PHE A 16 -5.706 -7.448 -4.804 1.00 0.00 C ATOM 193 CG PHE A 16 -5.880 -6.636 -6.056 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.052 -6.715 -6.791 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.872 -5.793 -6.496 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.214 -5.970 -7.944 1.00 0.00 C ATOM 197 CE2 PHE A 16 -5.029 -5.045 -7.648 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.202 -5.133 -8.372 1.00 0.00 C ATOM 0 H PHE A 16 -4.200 -9.420 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.687 -9.310 -5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.520 -7.220 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.780 -7.149 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.848 -7.366 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.953 -5.720 -5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.131 -6.042 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.235 -4.393 -7.981 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.328 -4.548 -9.271 1.00 0.00 H new ATOM 208 N GLU A 17 -5.481 -9.506 -7.409 1.00 0.00 N ATOM 209 CA GLU A 17 -4.783 -9.812 -8.652 1.00 0.00 C ATOM 210 C GLU A 17 -4.896 -8.653 -9.639 1.00 0.00 C ATOM 211 O GLU A 17 -5.957 -8.055 -9.814 1.00 0.00 O ATOM 212 CB GLU A 17 -5.349 -11.087 -9.280 1.00 0.00 C ATOM 213 CG GLU A 17 -6.816 -10.980 -9.659 1.00 0.00 C ATOM 214 CD GLU A 17 -7.479 -12.335 -9.815 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.790 -13.288 -10.233 1.00 0.00 O ATOM 216 OE2 GLU A 17 -8.688 -12.441 -9.520 1.00 0.00 O ATOM 0 H GLU A 17 -6.498 -9.499 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.730 -9.967 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.769 -11.331 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.223 -11.913 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.344 -10.407 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.906 -10.426 -10.593 1.00 0.00 H new ATOM 223 N PRO A 18 -3.774 -8.328 -10.299 1.00 0.00 N ATOM 224 CA PRO A 18 -3.720 -7.239 -11.279 1.00 0.00 C ATOM 225 C PRO A 18 -4.492 -7.567 -12.553 1.00 0.00 C ATOM 226 O PRO A 18 -4.611 -8.730 -12.934 1.00 0.00 O ATOM 227 CB PRO A 18 -2.225 -7.105 -11.579 1.00 0.00 C ATOM 228 CG PRO A 18 -1.657 -8.449 -11.277 1.00 0.00 C ATOM 229 CD PRO A 18 -2.473 -8.998 -10.140 1.00 0.00 C ATOM 0 HA PRO A 18 -4.176 -6.325 -10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.053 -6.827 -12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.765 -6.333 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.714 -9.101 -12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.605 -8.375 -11.002 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.569 -10.082 -10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.020 -8.772 -9.175 1.00 0.00 H new ATOM 288 N GLU A 23 0.080 -2.783 -12.643 1.00 0.00 N ATOM 289 CA GLU A 23 -0.614 -3.067 -11.392 1.00 0.00 C ATOM 290 C GLU A 23 0.253 -3.921 -10.471 1.00 0.00 C ATOM 291 O GLU A 23 1.043 -4.746 -10.932 1.00 0.00 O ATOM 292 CB GLU A 23 -1.939 -3.780 -11.670 1.00 0.00 C ATOM 293 CG GLU A 23 -2.870 -3.000 -12.583 1.00 0.00 C ATOM 294 CD GLU A 23 -3.784 -2.061 -11.819 1.00 0.00 C ATOM 295 OE1 GLU A 23 -3.277 -1.312 -10.958 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.004 -2.075 -12.083 1.00 0.00 O ATOM 0 HA GLU A 23 -0.817 -2.119 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.732 -4.751 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.446 -3.969 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.277 -2.425 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.474 -3.698 -13.162 1.00 0.00 H new ATOM 303 N LEU A 24 0.099 -3.718 -9.168 1.00 0.00 N ATOM 304 CA LEU A 24 0.867 -4.468 -8.180 1.00 0.00 C ATOM 305 C LEU A 24 -0.040 -5.390 -7.371 1.00 0.00 C ATOM 306 O LEU A 24 -0.761 -4.943 -6.480 1.00 0.00 O ATOM 307 CB LEU A 24 1.605 -3.510 -7.243 1.00 0.00 C ATOM 308 CG LEU A 24 2.469 -4.160 -6.163 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.773 -4.670 -6.758 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.744 -3.176 -5.036 1.00 0.00 C ATOM 0 H LEU A 24 -0.551 -3.040 -8.770 1.00 0.00 H new ATOM 0 HA LEU A 24 1.596 -5.080 -8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.240 -2.861 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.868 -2.871 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 24 1.924 -5.010 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.375 -5.130 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.556 -5.409 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.323 -3.837 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.360 -3.656 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.268 -2.306 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.801 -2.859 -4.591 1.00 0.00 H new ATOM 322 N GLY A 25 0.004 -6.681 -7.687 1.00 0.00 N ATOM 323 CA GLY A 25 -0.817 -7.646 -6.979 1.00 0.00 C ATOM 324 C GLY A 25 -0.258 -7.990 -5.613 1.00 0.00 C ATOM 325 O GLY A 25 0.897 -8.400 -5.491 1.00 0.00 O ATOM 0 H GLY A 25 0.593 -7.075 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.825 -7.247 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.899 -8.555 -7.574 1.00 0.00 H new ATOM 329 N PHE A 26 -1.078 -7.823 -4.581 1.00 0.00 N ATOM 330 CA PHE A 26 -0.659 -8.116 -3.215 1.00 0.00 C ATOM 331 C PHE A 26 -1.314 -9.397 -2.708 1.00 0.00 C ATOM 332 O PHE A 26 -2.225 -9.934 -3.339 1.00 0.00 O ATOM 333 CB PHE A 26 -1.009 -6.949 -2.290 1.00 0.00 C ATOM 334 CG PHE A 26 -2.460 -6.564 -2.334 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.440 -7.454 -1.927 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.844 -5.311 -2.784 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.776 -7.103 -1.966 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.178 -4.953 -2.825 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.146 -5.851 -2.417 1.00 0.00 C ATOM 0 H PHE A 26 -2.037 -7.486 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 26 0.422 -8.258 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.743 -7.214 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.404 -6.085 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.156 -8.435 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.092 -4.606 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.530 -7.807 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.464 -3.972 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.189 -5.574 -2.451 1.00 0.00 H new ATOM 349 N LYS A 27 -0.844 -9.882 -1.564 1.00 0.00 N ATOM 350 CA LYS A 27 -1.384 -11.099 -0.969 1.00 0.00 C ATOM 351 C LYS A 27 -2.080 -10.796 0.354 1.00 0.00 C ATOM 352 O LYS A 27 -2.130 -9.647 0.789 1.00 0.00 O ATOM 353 CB LYS A 27 -0.267 -12.122 -0.748 1.00 0.00 C ATOM 354 CG LYS A 27 -0.741 -13.563 -0.805 1.00 0.00 C ATOM 355 CD LYS A 27 0.363 -14.495 -1.275 1.00 0.00 C ATOM 356 CE LYS A 27 -0.045 -15.955 -1.143 1.00 0.00 C ATOM 357 NZ LYS A 27 -1.119 -16.320 -2.107 1.00 0.00 N ATOM 0 H LYS A 27 -0.090 -9.451 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.119 -11.515 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.505 -11.972 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.195 -11.939 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.085 -13.873 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.595 -13.640 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.606 -14.277 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.266 -14.314 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.824 -16.591 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.389 -16.145 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.369 -17.322 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.958 -15.730 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.782 -16.163 -3.078 1.00 0.00 H new ATOM 371 N GLU A 28 -2.614 -11.836 0.988 1.00 0.00 N ATOM 372 CA GLU A 28 -3.306 -11.679 2.262 1.00 0.00 C ATOM 373 C GLU A 28 -2.314 -11.659 3.421 1.00 0.00 C ATOM 374 O GLU A 28 -1.432 -12.511 3.513 1.00 0.00 O ATOM 375 CB GLU A 28 -4.317 -12.810 2.461 1.00 0.00 C ATOM 376 CG GLU A 28 -5.380 -12.500 3.501 1.00 0.00 C ATOM 377 CD GLU A 28 -6.584 -13.416 3.396 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.394 -14.611 3.084 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.715 -12.939 3.624 1.00 0.00 O ATOM 0 H GLU A 28 -2.581 -12.794 0.641 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.836 -10.727 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.803 -13.023 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.785 -13.714 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.946 -12.590 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.704 -11.466 3.387 1.00 0.00 H new ATOM 386 N GLY A 29 -2.466 -10.677 4.305 1.00 0.00 N ATOM 387 CA GLY A 29 -1.577 -10.563 5.447 1.00 0.00 C ATOM 388 C GLY A 29 -0.174 -10.150 5.050 1.00 0.00 C ATOM 389 O GLY A 29 0.783 -10.390 5.786 1.00 0.00 O ATOM 0 H GLY A 29 -3.188 -9.959 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.983 -9.833 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.537 -11.519 5.969 1.00 0.00 H new ATOM 393 N ASP A 30 -0.050 -9.528 3.882 1.00 0.00 N ATOM 394 CA ASP A 30 1.247 -9.081 3.388 1.00 0.00 C ATOM 395 C ASP A 30 1.447 -7.593 3.654 1.00 0.00 C ATOM 396 O ASP A 30 0.533 -6.790 3.463 1.00 0.00 O ATOM 397 CB ASP A 30 1.371 -9.365 1.890 1.00 0.00 C ATOM 398 CG ASP A 30 1.866 -10.770 1.606 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.907 -11.587 2.549 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.212 -11.052 0.440 1.00 0.00 O ATOM 0 H ASP A 30 -0.832 -9.322 3.260 1.00 0.00 H new ATOM 0 HA ASP A 30 2.021 -9.634 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.401 -9.222 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.055 -8.644 1.442 1.00 0.00 H new ATOM 405 N ILE A 31 2.646 -7.232 4.098 1.00 0.00 N ATOM 406 CA ILE A 31 2.965 -5.840 4.391 1.00 0.00 C ATOM 407 C ILE A 31 3.656 -5.174 3.207 1.00 0.00 C ATOM 408 O ILE A 31 4.703 -5.632 2.748 1.00 0.00 O ATOM 409 CB ILE A 31 3.868 -5.719 5.633 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.204 -6.385 6.840 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.170 -4.257 5.928 1.00 0.00 C ATOM 412 CD1 ILE A 31 1.964 -5.665 7.322 1.00 0.00 C ATOM 0 H ILE A 31 3.413 -7.884 4.263 1.00 0.00 H new ATOM 0 HA ILE A 31 2.020 -5.334 4.588 1.00 0.00 H new ATOM 0 HB ILE A 31 4.809 -6.231 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.941 -7.410 6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.924 -6.438 7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.809 -4.188 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.680 -3.811 5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.238 -3.723 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.547 -6.193 8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.224 -4.648 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.226 -5.635 6.520 1.00 0.00 H new ATOM 424 N ILE A 32 3.065 -4.089 2.718 1.00 0.00 N ATOM 425 CA ILE A 32 3.626 -3.358 1.588 1.00 0.00 C ATOM 426 C ILE A 32 4.160 -1.997 2.025 1.00 0.00 C ATOM 427 O ILE A 32 3.396 -1.116 2.420 1.00 0.00 O ATOM 428 CB ILE A 32 2.582 -3.154 0.475 1.00 0.00 C ATOM 429 CG1 ILE A 32 2.069 -4.505 -0.027 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.179 -2.349 -0.670 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.858 -5.010 0.726 1.00 0.00 C ATOM 0 H ILE A 32 2.198 -3.697 3.086 1.00 0.00 H new ATOM 0 HA ILE A 32 4.447 -3.960 1.198 1.00 0.00 H new ATOM 0 HB ILE A 32 1.740 -2.597 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.819 -4.419 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.869 -5.241 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.429 -2.213 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.500 -1.375 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.037 -2.882 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.550 -5.972 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.108 -5.128 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.042 -4.294 0.625 1.00 0.00 H new ATOM 443 N THR A 33 5.476 -1.832 1.949 1.00 0.00 N ATOM 444 CA THR A 33 6.113 -0.579 2.335 1.00 0.00 C ATOM 445 C THR A 33 5.517 0.599 1.573 1.00 0.00 C ATOM 446 O THR A 33 5.083 0.455 0.429 1.00 0.00 O ATOM 447 CB THR A 33 7.633 -0.621 2.086 1.00 0.00 C ATOM 448 OG1 THR A 33 8.203 -1.767 2.728 1.00 0.00 O ATOM 449 CG2 THR A 33 8.301 0.643 2.607 1.00 0.00 C ATOM 0 H THR A 33 6.122 -2.551 1.623 1.00 0.00 H new ATOM 0 HA THR A 33 5.931 -0.448 3.402 1.00 0.00 H new ATOM 0 HB THR A 33 7.802 -0.686 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.169 -1.787 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.374 0.591 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.885 1.511 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.123 0.733 3.679 1.00 0.00 H new ATOM 457 N LEU A 34 5.498 1.763 2.212 1.00 0.00 N ATOM 458 CA LEU A 34 4.955 2.967 1.593 1.00 0.00 C ATOM 459 C LEU A 34 6.042 4.021 1.408 1.00 0.00 C ATOM 460 O LEU A 34 6.781 4.339 2.340 1.00 0.00 O ATOM 461 CB LEU A 34 3.819 3.535 2.446 1.00 0.00 C ATOM 462 CG LEU A 34 2.611 2.619 2.649 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.792 3.075 3.847 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.751 2.584 1.395 1.00 0.00 C ATOM 0 H LEU A 34 5.852 1.899 3.159 1.00 0.00 H new ATOM 0 HA LEU A 34 4.565 2.697 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.221 3.795 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.474 4.461 1.987 1.00 0.00 H new ATOM 0 HG LEU A 34 2.973 1.610 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.937 2.412 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.412 3.047 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.440 4.093 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.896 1.927 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.398 3.590 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.342 2.210 0.559 1.00 0.00 H new ATOM 476 N THR A 35 6.133 4.563 0.197 1.00 0.00 N ATOM 477 CA THR A 35 7.128 5.582 -0.111 1.00 0.00 C ATOM 478 C THR A 35 6.466 6.874 -0.576 1.00 0.00 C ATOM 479 O THR A 35 6.922 7.969 -0.248 1.00 0.00 O ATOM 480 CB THR A 35 8.107 5.101 -1.199 1.00 0.00 C ATOM 481 OG1 THR A 35 8.829 6.215 -1.736 1.00 0.00 O ATOM 482 CG2 THR A 35 7.365 4.384 -2.316 1.00 0.00 C ATOM 0 H THR A 35 5.529 4.313 -0.586 1.00 0.00 H new ATOM 0 HA THR A 35 7.682 5.771 0.809 1.00 0.00 H new ATOM 0 HB THR A 35 8.807 4.401 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.450 5.900 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.077 4.054 -3.072 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.841 3.519 -1.908 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.644 5.064 -2.769 1.00 0.00 H new ATOM 490 N ASN A 36 5.388 6.739 -1.342 1.00 0.00 N ATOM 491 CA ASN A 36 4.663 7.897 -1.851 1.00 0.00 C ATOM 492 C ASN A 36 3.253 7.508 -2.288 1.00 0.00 C ATOM 493 O ASN A 36 2.927 6.325 -2.379 1.00 0.00 O ATOM 494 CB ASN A 36 5.418 8.522 -3.026 1.00 0.00 C ATOM 495 CG ASN A 36 6.462 9.525 -2.575 1.00 0.00 C ATOM 496 OD1 ASN A 36 7.663 9.300 -2.729 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.008 10.639 -2.012 1.00 0.00 N ATOM 0 H ASN A 36 4.998 5.840 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 36 4.586 8.628 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.901 7.734 -3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.708 9.015 -3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.663 11.350 -1.687 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.004 10.784 -1.905 1.00 0.00 H new ATOM 504 N GLN A 37 2.424 8.511 -2.556 1.00 0.00 N ATOM 505 CA GLN A 37 1.050 8.273 -2.983 1.00 0.00 C ATOM 506 C GLN A 37 0.730 9.059 -4.250 1.00 0.00 C ATOM 507 O GLN A 37 1.168 10.198 -4.412 1.00 0.00 O ATOM 508 CB GLN A 37 0.074 8.657 -1.870 1.00 0.00 C ATOM 509 CG GLN A 37 -1.384 8.605 -2.294 1.00 0.00 C ATOM 510 CD GLN A 37 -2.277 9.467 -1.424 1.00 0.00 C ATOM 511 OE1 GLN A 37 -1.896 10.567 -1.023 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.473 8.972 -1.128 1.00 0.00 N ATOM 0 H GLN A 37 2.679 9.496 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 37 0.942 7.210 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.221 7.988 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.308 9.664 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.469 8.932 -3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.733 7.573 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.748 8.056 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.117 9.508 -0.547 1.00 0.00 H new ATOM 521 N ILE A 38 -0.036 8.444 -5.144 1.00 0.00 N ATOM 522 CA ILE A 38 -0.415 9.087 -6.396 1.00 0.00 C ATOM 523 C ILE A 38 -1.904 9.414 -6.417 1.00 0.00 C ATOM 524 O ILE A 38 -2.303 10.515 -6.796 1.00 0.00 O ATOM 525 CB ILE A 38 -0.079 8.199 -7.609 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.433 7.987 -7.710 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.618 8.823 -8.888 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.947 6.875 -6.823 1.00 0.00 C ATOM 0 H ILE A 38 -0.407 7.501 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 38 0.159 10.011 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.555 7.228 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.692 7.765 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.940 8.915 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.373 8.184 -9.736 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.700 8.928 -8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.168 9.805 -9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.026 6.781 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.719 7.105 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.467 5.937 -7.101 1.00 0.00 H new ATOM 540 N ASP A 39 -2.722 8.451 -6.005 1.00 0.00 N ATOM 541 CA ASP A 39 -4.168 8.638 -5.974 1.00 0.00 C ATOM 542 C ASP A 39 -4.660 8.824 -4.542 1.00 0.00 C ATOM 543 O ASP A 39 -3.902 8.655 -3.588 1.00 0.00 O ATOM 544 CB ASP A 39 -4.872 7.442 -6.617 1.00 0.00 C ATOM 545 CG ASP A 39 -4.092 6.870 -7.784 1.00 0.00 C ATOM 546 OD1 ASP A 39 -2.889 6.583 -7.610 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.683 6.710 -8.872 1.00 0.00 O ATOM 0 H ASP A 39 -2.408 7.534 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.406 9.538 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.020 6.665 -5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.861 7.747 -6.959 1.00 0.00 H new ATOM 552 N GLU A 40 -5.935 9.174 -4.401 1.00 0.00 N ATOM 553 CA GLU A 40 -6.528 9.385 -3.085 1.00 0.00 C ATOM 554 C GLU A 40 -6.913 8.055 -2.443 1.00 0.00 C ATOM 555 O GLU A 40 -7.239 7.998 -1.258 1.00 0.00 O ATOM 556 CB GLU A 40 -7.758 10.287 -3.194 1.00 0.00 C ATOM 557 CG GLU A 40 -8.928 9.637 -3.913 1.00 0.00 C ATOM 558 CD GLU A 40 -10.231 10.383 -3.700 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.891 10.143 -2.667 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.591 11.207 -4.567 1.00 0.00 O ATOM 0 H GLU A 40 -6.577 9.317 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.785 9.872 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.074 10.578 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.482 11.201 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.712 9.588 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.040 8.611 -3.563 1.00 0.00 H new ATOM 567 N ASN A 41 -6.875 6.989 -3.235 1.00 0.00 N ATOM 568 CA ASN A 41 -7.222 5.660 -2.745 1.00 0.00 C ATOM 569 C ASN A 41 -6.133 4.650 -3.093 1.00 0.00 C ATOM 570 O ASN A 41 -6.231 3.472 -2.748 1.00 0.00 O ATOM 571 CB ASN A 41 -8.559 5.208 -3.335 1.00 0.00 C ATOM 572 CG ASN A 41 -9.742 5.655 -2.498 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.564 6.456 -2.943 1.00 0.00 O ATOM 574 ND2 ASN A 41 -9.832 5.138 -1.278 1.00 0.00 N ATOM 0 H ASN A 41 -6.607 7.019 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.311 5.713 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.661 5.606 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.567 4.121 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.606 5.402 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.127 4.477 -0.951 1.00 0.00 H new ATOM 581 N TRP A 42 -5.096 5.120 -3.778 1.00 0.00 N ATOM 582 CA TRP A 42 -3.988 4.258 -4.173 1.00 0.00 C ATOM 583 C TRP A 42 -2.682 4.726 -3.539 1.00 0.00 C ATOM 584 O TRP A 42 -2.389 5.921 -3.510 1.00 0.00 O ATOM 585 CB TRP A 42 -3.850 4.235 -5.696 1.00 0.00 C ATOM 586 CG TRP A 42 -5.090 3.767 -6.397 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.305 4.390 -6.416 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.235 2.577 -7.179 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.197 3.659 -7.162 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.565 2.542 -7.642 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.371 1.538 -7.534 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.048 1.509 -8.440 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.852 0.513 -8.326 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.180 0.504 -8.773 1.00 0.00 C ATOM 0 H TRP A 42 -5.000 6.092 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.201 3.249 -3.820 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.599 5.236 -6.046 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.019 3.584 -5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.531 5.321 -5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.172 3.907 -7.331 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.345 1.536 -7.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.072 1.501 -8.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.193 -0.296 -8.605 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.525 -0.311 -9.392 1.00 0.00 H new ATOM 605 N TYR A 43 -1.901 3.777 -3.034 1.00 0.00 N ATOM 606 CA TYR A 43 -0.628 4.094 -2.399 1.00 0.00 C ATOM 607 C TYR A 43 0.536 3.499 -3.186 1.00 0.00 C ATOM 608 O TYR A 43 0.411 2.434 -3.790 1.00 0.00 O ATOM 609 CB TYR A 43 -0.606 3.570 -0.962 1.00 0.00 C ATOM 610 CG TYR A 43 -1.461 4.377 -0.011 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.432 5.766 -0.027 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.298 3.749 0.904 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.211 6.506 0.841 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.082 4.482 1.775 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.034 5.860 1.740 1.00 0.00 C ATOM 616 OH TYR A 43 -3.812 6.595 2.605 1.00 0.00 O ATOM 0 H TYR A 43 -2.127 2.783 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.518 5.178 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.948 2.535 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.422 3.568 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.790 6.276 -0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.336 2.670 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.176 7.585 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.728 3.979 2.479 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.334 5.989 3.171 1.00 0.00 H new ATOM 626 N GLU A 44 1.668 4.196 -3.174 1.00 0.00 N ATOM 627 CA GLU A 44 2.855 3.737 -3.886 1.00 0.00 C ATOM 628 C GLU A 44 3.833 3.056 -2.933 1.00 0.00 C ATOM 629 O GLU A 44 4.299 3.661 -1.968 1.00 0.00 O ATOM 630 CB GLU A 44 3.542 4.912 -4.587 1.00 0.00 C ATOM 631 CG GLU A 44 4.325 4.508 -5.824 1.00 0.00 C ATOM 632 CD GLU A 44 5.150 5.648 -6.390 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.405 6.620 -5.648 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.541 5.568 -7.573 1.00 0.00 O ATOM 0 H GLU A 44 1.788 5.080 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 44 2.540 3.010 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.788 5.647 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.217 5.400 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.984 3.676 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.633 4.151 -6.587 1.00 0.00 H new ATOM 641 N GLY A 45 4.138 1.793 -3.212 1.00 0.00 N ATOM 642 CA GLY A 45 5.058 1.049 -2.370 1.00 0.00 C ATOM 643 C GLY A 45 5.974 0.145 -3.171 1.00 0.00 C ATOM 644 O GLY A 45 5.956 0.164 -4.401 1.00 0.00 O ATOM 0 H GLY A 45 3.765 1.271 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.660 1.748 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.491 0.448 -1.659 1.00 0.00 H new ATOM 648 N MET A 46 6.778 -0.649 -2.471 1.00 0.00 N ATOM 649 CA MET A 46 7.706 -1.564 -3.125 1.00 0.00 C ATOM 650 C MET A 46 7.534 -2.984 -2.595 1.00 0.00 C ATOM 651 O MET A 46 7.837 -3.266 -1.435 1.00 0.00 O ATOM 652 CB MET A 46 9.149 -1.100 -2.913 1.00 0.00 C ATOM 653 CG MET A 46 9.652 -0.163 -3.999 1.00 0.00 C ATOM 654 SD MET A 46 11.390 0.271 -3.792 1.00 0.00 S ATOM 655 CE MET A 46 11.343 1.105 -2.207 1.00 0.00 C ATOM 0 H MET A 46 6.805 -0.677 -1.452 1.00 0.00 H new ATOM 0 HA MET A 46 7.485 -1.564 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.222 -0.598 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.800 -1.973 -2.868 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.512 -0.633 -4.972 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.051 0.747 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.246 1.703 -2.084 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.469 1.754 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.286 0.365 -1.408 1.00 0.00 H new ATOM 665 N LEU A 47 7.044 -3.874 -3.451 1.00 0.00 N ATOM 666 CA LEU A 47 6.830 -5.266 -3.069 1.00 0.00 C ATOM 667 C LEU A 47 7.581 -6.209 -4.004 1.00 0.00 C ATOM 668 O LEU A 47 7.329 -6.235 -5.209 1.00 0.00 O ATOM 669 CB LEU A 47 5.337 -5.596 -3.084 1.00 0.00 C ATOM 670 CG LEU A 47 4.945 -6.958 -2.511 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.256 -7.021 -1.023 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.470 -7.238 -2.762 1.00 0.00 C ATOM 0 H LEU A 47 6.787 -3.657 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 47 7.215 -5.403 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.809 -4.823 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.984 -5.542 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 47 5.531 -7.726 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.970 -7.998 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.324 -6.866 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.697 -6.244 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.209 -8.212 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.867 -6.466 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.277 -7.237 -3.835 1.00 0.00 H new ATOM 684 N HIS A 48 8.502 -6.983 -3.440 1.00 0.00 N ATOM 685 CA HIS A 48 9.288 -7.930 -4.224 1.00 0.00 C ATOM 686 C HIS A 48 9.976 -7.231 -5.392 1.00 0.00 C ATOM 687 O HIS A 48 9.994 -7.741 -6.511 1.00 0.00 O ATOM 688 CB HIS A 48 8.396 -9.058 -4.743 1.00 0.00 C ATOM 689 CG HIS A 48 7.989 -10.036 -3.685 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.873 -10.912 -3.089 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.785 -10.273 -3.114 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.229 -11.646 -2.199 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.961 -11.278 -2.194 1.00 0.00 N ATOM 0 H HIS A 48 8.723 -6.974 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 48 10.055 -8.352 -3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.501 -8.626 -5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.922 -9.591 -5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.858 -9.766 -3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.666 -12.416 -1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.231 -11.675 -1.603 1.00 0.00 H new ATOM 702 N GLY A 49 10.541 -6.057 -5.123 1.00 0.00 N ATOM 703 CA GLY A 49 11.221 -5.306 -6.162 1.00 0.00 C ATOM 704 C GLY A 49 10.265 -4.767 -7.208 1.00 0.00 C ATOM 705 O GLY A 49 10.662 -4.499 -8.343 1.00 0.00 O ATOM 0 H GLY A 49 10.540 -5.613 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.765 -4.477 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.959 -5.946 -6.645 1.00 0.00 H new ATOM 709 N HIS A 50 9.002 -4.608 -6.827 1.00 0.00 N ATOM 710 CA HIS A 50 7.986 -4.097 -7.741 1.00 0.00 C ATOM 711 C HIS A 50 7.386 -2.797 -7.215 1.00 0.00 C ATOM 712 O HIS A 50 6.841 -2.755 -6.111 1.00 0.00 O ATOM 713 CB HIS A 50 6.883 -5.137 -7.943 1.00 0.00 C ATOM 714 CG HIS A 50 7.399 -6.491 -8.321 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.257 -6.701 -9.380 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.173 -7.709 -7.775 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.536 -7.989 -9.469 1.00 0.00 C ATOM 718 NE2 HIS A 50 7.891 -8.623 -8.506 1.00 0.00 N ATOM 0 H HIS A 50 8.657 -4.825 -5.892 1.00 0.00 H new ATOM 0 HA HIS A 50 8.464 -3.894 -8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.302 -5.222 -7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.202 -4.787 -8.719 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.545 -7.922 -6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.182 -8.446 -10.204 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.921 -9.628 -8.334 1.00 0.00 H new ATOM 727 N SER A 51 7.490 -1.738 -8.011 1.00 0.00 N ATOM 728 CA SER A 51 6.962 -0.435 -7.623 1.00 0.00 C ATOM 729 C SER A 51 5.668 -0.129 -8.373 1.00 0.00 C ATOM 730 O SER A 51 5.685 0.170 -9.566 1.00 0.00 O ATOM 731 CB SER A 51 7.995 0.660 -7.897 1.00 0.00 C ATOM 732 OG SER A 51 8.288 0.750 -9.281 1.00 0.00 O ATOM 0 H SER A 51 7.935 -1.756 -8.929 1.00 0.00 H new ATOM 0 HA SER A 51 6.746 -0.461 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.618 1.618 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.909 0.449 -7.342 1.00 0.00 H new ATOM 0 HG SER A 51 7.483 0.543 -9.800 1.00 0.00 H new ATOM 738 N GLY A 52 4.548 -0.205 -7.661 1.00 0.00 N ATOM 739 CA GLY A 52 3.260 0.066 -8.274 1.00 0.00 C ATOM 740 C GLY A 52 2.246 0.597 -7.281 1.00 0.00 C ATOM 741 O GLY A 52 2.535 0.714 -6.090 1.00 0.00 O ATOM 0 H GLY A 52 4.509 -0.449 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.389 0.790 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.877 -0.849 -8.726 1.00 0.00 H new ATOM 745 N PHE A 53 1.054 0.923 -7.772 1.00 0.00 N ATOM 746 CA PHE A 53 -0.006 1.448 -6.919 1.00 0.00 C ATOM 747 C PHE A 53 -1.022 0.361 -6.583 1.00 0.00 C ATOM 748 O PHE A 53 -1.310 -0.511 -7.404 1.00 0.00 O ATOM 749 CB PHE A 53 -0.706 2.622 -7.605 1.00 0.00 C ATOM 750 CG PHE A 53 0.188 3.397 -8.530 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.393 3.912 -8.080 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.175 3.609 -9.850 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.218 4.626 -8.928 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.646 4.321 -10.704 1.00 0.00 C ATOM 755 CZ PHE A 53 1.845 4.829 -10.243 1.00 0.00 C ATOM 0 H PHE A 53 0.799 0.833 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 53 0.447 1.796 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.560 2.246 -8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.098 3.296 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.691 3.753 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.111 3.213 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.153 5.025 -8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.350 4.480 -11.731 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.490 5.384 -10.909 1.00 0.00 H new ATOM 765 N PHE A 54 -1.562 0.418 -5.370 1.00 0.00 N ATOM 766 CA PHE A 54 -2.545 -0.562 -4.923 1.00 0.00 C ATOM 767 C PHE A 54 -3.679 0.115 -4.158 1.00 0.00 C ATOM 768 O PHE A 54 -3.514 1.186 -3.574 1.00 0.00 O ATOM 769 CB PHE A 54 -1.878 -1.619 -4.040 1.00 0.00 C ATOM 770 CG PHE A 54 -0.920 -1.044 -3.037 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.345 -0.631 -3.425 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.284 -0.916 -1.706 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.229 -0.101 -2.504 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.404 -0.387 -0.781 1.00 0.00 C ATOM 775 CZ PHE A 54 0.854 0.020 -1.180 1.00 0.00 C ATOM 0 H PHE A 54 -1.335 1.133 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.964 -1.047 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.650 -2.180 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.345 -2.328 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.643 -0.724 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.266 -1.233 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.212 0.218 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.700 -0.292 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.543 0.432 -0.458 1.00 0.00 H new ATOM 785 N PRO A 55 -4.858 -0.524 -4.162 1.00 0.00 N ATOM 786 CA PRO A 55 -6.043 -0.003 -3.473 1.00 0.00 C ATOM 787 C PRO A 55 -5.904 -0.062 -1.955 1.00 0.00 C ATOM 788 O PRO A 55 -5.195 -0.916 -1.421 1.00 0.00 O ATOM 789 CB PRO A 55 -7.164 -0.932 -3.944 1.00 0.00 C ATOM 790 CG PRO A 55 -6.476 -2.202 -4.309 1.00 0.00 C ATOM 791 CD PRO A 55 -5.126 -1.804 -4.838 1.00 0.00 C ATOM 0 HA PRO A 55 -6.218 1.048 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.901 -1.093 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.695 -0.510 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.378 -2.856 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.043 -2.751 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.366 -2.549 -4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.137 -1.691 -5.922 1.00 0.00 H new ATOM 799 N ILE A 56 -6.584 0.848 -1.268 1.00 0.00 N ATOM 800 CA ILE A 56 -6.538 0.898 0.188 1.00 0.00 C ATOM 801 C ILE A 56 -7.701 0.125 0.802 1.00 0.00 C ATOM 802 O ILE A 56 -7.725 -0.127 2.006 1.00 0.00 O ATOM 803 CB ILE A 56 -6.570 2.348 0.704 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.352 3.121 0.194 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.619 2.369 2.224 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.457 4.617 0.397 1.00 0.00 C ATOM 0 H ILE A 56 -7.174 1.562 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.598 0.436 0.489 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.470 2.833 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.460 2.755 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.220 2.915 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.641 3.401 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.515 1.851 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.736 1.870 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.559 5.100 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.329 4.996 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.558 4.834 1.460 1.00 0.00 H new ATOM 818 N ASN A 57 -8.663 -0.248 -0.035 1.00 0.00 N ATOM 819 CA ASN A 57 -9.830 -0.993 0.425 1.00 0.00 C ATOM 820 C ASN A 57 -9.462 -2.441 0.736 1.00 0.00 C ATOM 821 O ASN A 57 -10.322 -3.248 1.090 1.00 0.00 O ATOM 822 CB ASN A 57 -10.936 -0.951 -0.630 1.00 0.00 C ATOM 823 CG ASN A 57 -12.285 -1.359 -0.070 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.630 -2.541 -0.052 1.00 0.00 O ATOM 825 ND2 ASN A 57 -13.056 -0.380 0.389 1.00 0.00 N ATOM 0 H ASN A 57 -8.658 -0.047 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.193 -0.524 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.005 0.057 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.673 -1.613 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.975 -0.594 0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.729 0.586 0.354 1.00 0.00 H new ATOM 832 N TYR A 58 -8.181 -2.762 0.600 1.00 0.00 N ATOM 833 CA TYR A 58 -7.699 -4.113 0.865 1.00 0.00 C ATOM 834 C TYR A 58 -6.591 -4.101 1.913 1.00 0.00 C ATOM 835 O TYR A 58 -6.375 -5.088 2.616 1.00 0.00 O ATOM 836 CB TYR A 58 -7.189 -4.757 -0.426 1.00 0.00 C ATOM 837 CG TYR A 58 -8.267 -5.460 -1.219 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.054 -6.447 -0.637 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.500 -5.137 -2.550 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.039 -7.092 -1.358 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.485 -5.776 -3.279 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.251 -6.754 -2.679 1.00 0.00 C ATOM 843 OH TYR A 58 -11.233 -7.393 -3.400 1.00 0.00 O ATOM 0 H TYR A 58 -7.457 -2.106 0.308 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.533 -4.699 1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.733 -3.988 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.405 -5.473 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.892 -6.714 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.901 -4.373 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.641 -7.857 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.654 -5.511 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.253 -7.037 -4.313 1.00 0.00 H new ATOM 853 N VAL A 59 -5.892 -2.975 2.013 1.00 0.00 N ATOM 854 CA VAL A 59 -4.807 -2.832 2.976 1.00 0.00 C ATOM 855 C VAL A 59 -5.119 -1.745 3.998 1.00 0.00 C ATOM 856 O VAL A 59 -5.710 -0.718 3.665 1.00 0.00 O ATOM 857 CB VAL A 59 -3.476 -2.497 2.276 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.123 -3.569 1.257 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.551 -1.128 1.617 1.00 0.00 C ATOM 0 H VAL A 59 -6.058 -2.148 1.439 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.709 -3.790 3.487 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.687 -2.471 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.180 -3.315 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.025 -4.531 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.911 -3.631 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.602 -0.907 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.351 -1.124 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.753 -0.370 2.374 1.00 0.00 H new ATOM 869 N GLU A 60 -4.716 -1.977 5.243 1.00 0.00 N ATOM 870 CA GLU A 60 -4.954 -1.017 6.314 1.00 0.00 C ATOM 871 C GLU A 60 -3.690 -0.218 6.619 1.00 0.00 C ATOM 872 O GLU A 60 -2.586 -0.764 6.633 1.00 0.00 O ATOM 873 CB GLU A 60 -5.433 -1.736 7.577 1.00 0.00 C ATOM 874 CG GLU A 60 -6.343 -0.889 8.451 1.00 0.00 C ATOM 875 CD GLU A 60 -7.743 -0.760 7.884 1.00 0.00 C ATOM 876 OE1 GLU A 60 -7.871 -0.516 6.666 1.00 0.00 O ATOM 877 OE2 GLU A 60 -8.712 -0.905 8.659 1.00 0.00 O ATOM 0 H GLU A 60 -4.223 -2.821 5.535 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.729 -0.326 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.962 -2.645 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.566 -2.044 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.398 -1.330 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.909 0.104 8.566 1.00 0.00 H new ATOM 884 N ILE A 61 -3.860 1.077 6.862 1.00 0.00 N ATOM 885 CA ILE A 61 -2.734 1.951 7.167 1.00 0.00 C ATOM 886 C ILE A 61 -2.479 2.016 8.669 1.00 0.00 C ATOM 887 O ILE A 61 -3.270 2.588 9.420 1.00 0.00 O ATOM 888 CB ILE A 61 -2.967 3.377 6.635 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.068 3.366 5.108 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.849 4.302 7.091 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.835 2.815 4.426 1.00 0.00 C ATOM 0 H ILE A 61 -4.767 1.544 6.854 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.862 1.525 6.671 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.908 3.750 7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.933 2.772 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.245 4.382 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.028 5.306 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.821 4.330 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.895 3.934 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.976 2.837 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.970 3.423 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.669 1.787 4.749 1.00 0.00 H new ATOM 903 N LEU A 62 -1.370 1.427 9.101 1.00 0.00 N ATOM 904 CA LEU A 62 -1.009 1.419 10.515 1.00 0.00 C ATOM 905 C LEU A 62 -0.271 2.698 10.896 1.00 0.00 C ATOM 906 O LEU A 62 -0.507 3.271 11.960 1.00 0.00 O ATOM 907 CB LEU A 62 -0.139 0.201 10.833 1.00 0.00 C ATOM 908 CG LEU A 62 -0.671 -1.148 10.350 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.357 -2.243 10.585 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.981 -1.485 11.048 1.00 0.00 C ATOM 0 H LEU A 62 -0.705 0.949 8.493 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.928 1.364 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.846 0.359 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.002 0.149 11.913 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.860 -1.080 9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.040 -3.196 10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.271 -2.008 10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.578 -2.312 11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.345 -2.449 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.818 -1.534 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.719 -0.714 10.828 1.00 0.00 H new ATOM 922 N VAL A 63 0.623 3.144 10.018 1.00 0.00 N ATOM 923 CA VAL A 63 1.393 4.358 10.260 1.00 0.00 C ATOM 924 C VAL A 63 1.034 5.446 9.255 1.00 0.00 C ATOM 925 O VAL A 63 1.338 5.333 8.068 1.00 0.00 O ATOM 926 CB VAL A 63 2.907 4.086 10.187 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.681 5.392 10.099 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.359 3.268 11.388 1.00 0.00 C ATOM 0 H VAL A 63 0.831 2.682 9.133 1.00 0.00 H new ATOM 0 HA VAL A 63 1.141 4.698 11.264 1.00 0.00 H new ATOM 0 HB VAL A 63 3.112 3.509 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.749 5.179 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.376 5.936 9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.473 5.998 10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.431 3.085 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.141 3.816 12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.828 2.316 11.400 1.00 0.00 H new ATOM 938 N ALA A 64 0.386 6.500 9.738 1.00 0.00 N ATOM 939 CA ALA A 64 -0.012 7.611 8.882 1.00 0.00 C ATOM 940 C ALA A 64 1.205 8.288 8.260 1.00 0.00 C ATOM 941 O ALA A 64 2.077 8.793 8.968 1.00 0.00 O ATOM 942 CB ALA A 64 -0.832 8.619 9.673 1.00 0.00 C ATOM 0 H ALA A 64 0.125 6.608 10.718 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.626 7.213 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.122 9.443 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.726 8.134 10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.236 9.003 10.501 1.00 0.00 H new ATOM 948 N LEU A 65 1.258 8.294 6.932 1.00 0.00 N ATOM 949 CA LEU A 65 2.369 8.909 6.214 1.00 0.00 C ATOM 950 C LEU A 65 2.671 10.299 6.765 1.00 0.00 C ATOM 951 O LEU A 65 1.816 10.958 7.356 1.00 0.00 O ATOM 952 CB LEU A 65 2.049 8.998 4.721 1.00 0.00 C ATOM 953 CG LEU A 65 2.266 7.719 3.911 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.371 7.708 2.681 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.728 7.583 3.510 1.00 0.00 C ATOM 0 H LEU A 65 0.545 7.880 6.331 1.00 0.00 H new ATOM 0 HA LEU A 65 3.251 8.284 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.008 9.302 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.660 9.788 4.285 1.00 0.00 H new ATOM 0 HG LEU A 65 2.001 6.866 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.539 6.791 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.327 7.758 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.605 8.568 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.864 6.667 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.020 8.440 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.349 7.544 4.405 1.00 0.00 H new ATOM 967 N PRO A 66 3.915 10.757 6.565 1.00 0.00 N ATOM 968 CA PRO A 66 4.358 12.075 7.031 1.00 0.00 C ATOM 969 C PRO A 66 3.708 13.214 6.253 1.00 0.00 C ATOM 970 O PRO A 66 4.004 14.386 6.485 1.00 0.00 O ATOM 971 CB PRO A 66 5.868 12.050 6.781 1.00 0.00 C ATOM 972 CG PRO A 66 6.054 11.067 5.678 1.00 0.00 C ATOM 973 CD PRO A 66 4.986 10.026 5.867 1.00 0.00 C ATOM 0 HA PRO A 66 4.087 12.252 8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.239 13.036 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.412 11.748 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.961 11.550 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.047 10.619 5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.643 9.625 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.347 9.183 6.456 1.00 0.00 H new