USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 SER OG : rot 180:sc= -0.438 USER MOD Single : A 18 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -147:sc= -1.63! USER MOD Single : A 27 SER OG : rot 180:sc= -1.08 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.04 (180deg=-6.34!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 144:sc= 1.25 USER MOD Single : A 54 SER OG : rot 8:sc= 1.3 USER MOD Single : A 56 ASN : amide:sc= -3.65! C(o=-3.6!,f=-5.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.64! C(o=-10!,f=-5.6!) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 70 THR OG1 : rot -32:sc= 0.904 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -1.01 F(o=-5.7!,f=-1) USER MOD Single : A 76 GLN : amide:sc= -0.793 K(o=-0.79,f=-3.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.156 F(o=-2!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -7.274 -9.558 0.086 1.00 0.00 N ATOM 90 CA ARG A 6 -7.658 -8.198 0.197 1.00 0.00 C ATOM 91 C ARG A 6 -6.772 -7.603 1.249 1.00 0.00 C ATOM 92 O ARG A 6 -5.891 -8.288 1.799 1.00 0.00 O ATOM 93 CB ARG A 6 -9.145 -7.957 0.491 1.00 0.00 C ATOM 94 CG ARG A 6 -9.470 -7.660 1.936 1.00 0.00 C ATOM 95 CD ARG A 6 -10.659 -6.727 2.060 1.00 0.00 C ATOM 96 NE ARG A 6 -11.930 -7.446 1.972 1.00 0.00 N ATOM 97 CZ ARG A 6 -13.132 -6.871 2.056 1.00 0.00 C ATOM 98 NH1 ARG A 6 -13.250 -5.561 2.238 1.00 0.00 N ATOM 99 NH2 ARG A 6 -14.220 -7.617 1.953 1.00 0.00 N ATOM 0 HA ARG A 6 -7.531 -7.716 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.491 -7.125 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.709 -8.837 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.681 -8.592 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.603 -7.211 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.607 -6.197 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.613 -5.974 1.273 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.895 -8.456 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.415 -4.980 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.175 -5.136 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.137 -8.624 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.142 -7.186 2.016 1.00 0.00 H new ATOM 113 N LEU A 7 -7.002 -6.368 1.535 1.00 0.00 N ATOM 114 CA LEU A 7 -5.907 -5.577 1.848 1.00 0.00 C ATOM 115 C LEU A 7 -6.143 -4.575 2.979 1.00 0.00 C ATOM 116 O LEU A 7 -6.938 -3.638 2.840 1.00 0.00 O ATOM 117 CB LEU A 7 -5.610 -4.902 0.535 1.00 0.00 C ATOM 118 CG LEU A 7 -4.192 -4.648 0.359 1.00 0.00 C ATOM 119 CD1 LEU A 7 -3.854 -4.339 -1.089 1.00 0.00 C ATOM 120 CD2 LEU A 7 -3.868 -3.492 1.270 1.00 0.00 C ATOM 0 H LEU A 7 -7.914 -5.912 1.554 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.080 -6.167 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.970 -5.527 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.156 -3.960 0.481 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.597 -5.526 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.784 -4.154 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.132 -5.186 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.404 -3.454 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.809 -3.248 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.464 -2.625 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.096 -3.765 2.300 1.00 0.00 H new ATOM 132 N PHE A 8 -5.434 -4.781 4.097 1.00 0.00 N ATOM 133 CA PHE A 8 -5.330 -3.743 5.115 1.00 0.00 C ATOM 134 C PHE A 8 -3.848 -3.375 5.269 1.00 0.00 C ATOM 135 O PHE A 8 -3.125 -3.964 6.073 1.00 0.00 O ATOM 136 CB PHE A 8 -5.894 -4.214 6.469 1.00 0.00 C ATOM 137 CG PHE A 8 -7.155 -5.045 6.387 1.00 0.00 C ATOM 138 CD1 PHE A 8 -8.142 -4.769 5.456 1.00 0.00 C ATOM 139 CD2 PHE A 8 -7.342 -6.113 7.251 1.00 0.00 C ATOM 140 CE1 PHE A 8 -9.286 -5.540 5.385 1.00 0.00 C ATOM 141 CE2 PHE A 8 -8.484 -6.887 7.186 1.00 0.00 C ATOM 142 CZ PHE A 8 -9.457 -6.599 6.252 1.00 0.00 C ATOM 0 H PHE A 8 -4.934 -5.644 4.312 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.917 -2.879 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.127 -4.795 6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.095 -3.338 7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.016 -3.940 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.584 -6.343 7.985 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.046 -5.314 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.615 -7.716 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.352 -7.202 6.200 1.00 0.00 H new ATOM 152 N ALA A 9 -3.385 -2.419 4.477 1.00 0.00 N ATOM 153 CA ALA A 9 -1.949 -2.138 4.408 1.00 0.00 C ATOM 154 C ALA A 9 -1.554 -0.930 5.239 1.00 0.00 C ATOM 155 O ALA A 9 -1.757 0.202 4.817 1.00 0.00 O ATOM 156 CB ALA A 9 -1.512 -1.934 2.965 1.00 0.00 C ATOM 0 H ALA A 9 -3.967 -1.831 3.881 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.439 -3.007 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.442 -1.726 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.723 -2.836 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.057 -1.094 2.535 1.00 0.00 H new ATOM 162 N ILE A 10 -0.984 -1.174 6.410 1.00 0.00 N ATOM 163 CA ILE A 10 -0.486 -0.079 7.231 1.00 0.00 C ATOM 164 C ILE A 10 0.883 0.351 6.723 1.00 0.00 C ATOM 165 O ILE A 10 1.894 -0.269 7.039 1.00 0.00 O ATOM 166 CB ILE A 10 -0.376 -0.473 8.721 1.00 0.00 C ATOM 167 CG1 ILE A 10 -1.704 -1.054 9.219 1.00 0.00 C ATOM 168 CG2 ILE A 10 0.023 0.738 9.559 1.00 0.00 C ATOM 169 CD1 ILE A 10 -1.661 -1.522 10.656 1.00 0.00 C ATOM 0 H ILE A 10 -0.856 -2.104 6.809 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.199 0.742 7.155 1.00 0.00 H new ATOM 0 HB ILE A 10 0.395 -1.237 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.483 -0.298 9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.986 -1.892 8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.097 0.447 10.607 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.987 1.115 9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.730 1.519 9.452 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.636 -1.920 10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.906 -2.301 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.411 -0.683 11.305 1.00 0.00 H new ATOM 181 N LEU A 11 0.918 1.403 5.931 1.00 0.00 N ATOM 182 CA LEU A 11 2.153 1.756 5.282 1.00 0.00 C ATOM 183 C LEU A 11 2.644 3.087 5.802 1.00 0.00 C ATOM 184 O LEU A 11 1.856 3.962 6.159 1.00 0.00 O ATOM 185 CB LEU A 11 1.990 1.775 3.756 1.00 0.00 C ATOM 186 CG LEU A 11 0.547 1.822 3.240 1.00 0.00 C ATOM 187 CD1 LEU A 11 -0.099 3.158 3.549 1.00 0.00 C ATOM 188 CD2 LEU A 11 0.505 1.543 1.746 1.00 0.00 C ATOM 0 H LEU A 11 0.125 2.012 5.728 1.00 0.00 H new ATOM 0 HA LEU A 11 2.901 0.998 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.525 2.640 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.474 0.888 3.347 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.020 1.046 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.122 3.164 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.109 3.317 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.469 3.956 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.527 1.581 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.093 2.294 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.919 0.554 1.549 1.00 0.00 H new ATOM 200 N ARG A 12 3.945 3.215 5.878 1.00 0.00 N ATOM 201 CA ARG A 12 4.560 4.412 6.449 1.00 0.00 C ATOM 202 C ARG A 12 5.750 4.874 5.608 1.00 0.00 C ATOM 203 O ARG A 12 6.432 4.053 4.988 1.00 0.00 O ATOM 204 CB ARG A 12 5.053 4.128 7.875 1.00 0.00 C ATOM 205 CG ARG A 12 3.988 3.601 8.827 1.00 0.00 C ATOM 206 CD ARG A 12 2.936 4.653 9.144 1.00 0.00 C ATOM 207 NE ARG A 12 3.511 5.830 9.793 1.00 0.00 N ATOM 208 CZ ARG A 12 2.989 6.428 10.864 1.00 0.00 C ATOM 209 NH1 ARG A 12 1.903 5.934 11.443 1.00 0.00 N ATOM 210 NH2 ARG A 12 3.560 7.514 11.361 1.00 0.00 N ATOM 0 H ARG A 12 4.609 2.511 5.555 1.00 0.00 H new ATOM 0 HA ARG A 12 3.802 5.195 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.866 3.404 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.469 5.046 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.507 2.729 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.460 3.270 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.437 4.955 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.174 4.219 9.791 1.00 0.00 H new ATOM 0 HE ARG A 12 4.368 6.219 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.463 5.093 11.069 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.507 6.395 12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.400 7.894 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.160 7.971 12.180 1.00 0.00 H new ATOM 224 N LEU A 13 5.981 6.188 5.571 1.00 0.00 N ATOM 225 CA LEU A 13 7.212 6.706 5.056 1.00 0.00 C ATOM 226 C LEU A 13 8.327 6.277 5.981 1.00 0.00 C ATOM 227 O LEU A 13 8.151 6.172 7.199 1.00 0.00 O ATOM 228 CB LEU A 13 7.199 8.235 5.008 1.00 0.00 C ATOM 229 CG LEU A 13 6.592 8.915 3.772 1.00 0.00 C ATOM 230 CD1 LEU A 13 7.353 8.529 2.516 1.00 0.00 C ATOM 231 CD2 LEU A 13 5.106 8.619 3.621 1.00 0.00 C ATOM 0 H LEU A 13 5.322 6.896 5.895 1.00 0.00 H new ATOM 0 HA LEU A 13 7.352 6.326 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.658 8.591 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.228 8.580 5.107 1.00 0.00 H new ATOM 0 HG LEU A 13 6.688 9.991 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.905 9.022 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.394 8.839 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.307 7.448 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.723 9.122 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.957 7.544 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.572 8.979 4.500 1.00 0.00 H new ATOM 243 N ALA A 14 9.457 6.056 5.387 1.00 0.00 N ATOM 244 CA ALA A 14 10.654 5.649 6.120 1.00 0.00 C ATOM 245 C ALA A 14 11.051 6.713 7.142 1.00 0.00 C ATOM 246 O ALA A 14 11.654 6.411 8.170 1.00 0.00 O ATOM 247 CB ALA A 14 11.804 5.389 5.160 1.00 0.00 C ATOM 0 H ALA A 14 9.595 6.148 4.380 1.00 0.00 H new ATOM 0 HA ALA A 14 10.428 4.726 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.687 5.087 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.527 4.595 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.024 6.298 4.601 1.00 0.00 H new ATOM 253 N ASP A 15 10.687 7.956 6.845 1.00 0.00 N ATOM 254 CA ASP A 15 10.979 9.079 7.733 1.00 0.00 C ATOM 255 C ASP A 15 10.144 9.018 9.004 1.00 0.00 C ATOM 256 O ASP A 15 10.467 9.663 10.000 1.00 0.00 O ATOM 257 CB ASP A 15 10.696 10.399 7.019 1.00 0.00 C ATOM 258 CG ASP A 15 11.583 10.608 5.814 1.00 0.00 C ATOM 259 OD1 ASP A 15 11.379 9.921 4.793 1.00 0.00 O ATOM 260 OD2 ASP A 15 12.487 11.465 5.880 1.00 0.00 O ATOM 0 H ASP A 15 10.188 8.213 5.994 1.00 0.00 H new ATOM 0 HA ASP A 15 12.033 9.016 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.652 10.422 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.838 11.224 7.718 1.00 0.00 H new ATOM 265 N GLY A 16 9.063 8.254 8.958 1.00 0.00 N ATOM 266 CA GLY A 16 8.159 8.189 10.086 1.00 0.00 C ATOM 267 C GLY A 16 6.825 8.799 9.736 1.00 0.00 C ATOM 268 O GLY A 16 5.871 8.744 10.512 1.00 0.00 O ATOM 0 H GLY A 16 8.796 7.678 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.022 7.151 10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.593 8.714 10.937 1.00 0.00 H new ATOM 272 N SER A 17 6.767 9.382 8.549 1.00 0.00 N ATOM 273 CA SER A 17 5.545 9.972 8.039 1.00 0.00 C ATOM 274 C SER A 17 4.649 8.902 7.405 1.00 0.00 C ATOM 275 O SER A 17 4.846 7.704 7.635 1.00 0.00 O ATOM 276 CB SER A 17 5.911 11.075 7.044 1.00 0.00 C ATOM 277 OG SER A 17 7.174 10.826 6.449 1.00 0.00 O ATOM 0 H SER A 17 7.563 9.458 7.916 1.00 0.00 H new ATOM 0 HA SER A 17 4.974 10.413 8.856 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.147 11.139 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.929 12.038 7.554 1.00 0.00 H new ATOM 0 HG SER A 17 7.385 11.544 5.816 1.00 0.00 H new ATOM 283 N GLN A 18 3.674 9.322 6.614 1.00 0.00 N ATOM 284 CA GLN A 18 2.684 8.380 6.104 1.00 0.00 C ATOM 285 C GLN A 18 2.349 8.566 4.648 1.00 0.00 C ATOM 286 O GLN A 18 2.331 9.689 4.140 1.00 0.00 O ATOM 287 CB GLN A 18 1.372 8.568 6.818 1.00 0.00 C ATOM 288 CG GLN A 18 1.110 7.568 7.925 1.00 0.00 C ATOM 289 CD GLN A 18 0.355 8.180 9.089 1.00 0.00 C ATOM 290 OE1 GLN A 18 0.494 9.367 9.377 1.00 0.00 O ATOM 291 NE2 GLN A 18 -0.446 7.379 9.768 1.00 0.00 N ATOM 0 H GLN A 18 3.545 10.289 6.315 1.00 0.00 H new ATOM 0 HA GLN A 18 3.138 7.402 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.343 9.573 7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.564 8.504 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.540 6.729 7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.059 7.167 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.535 6.399 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.975 7.740 10.562 1.00 0.00 H new ATOM 300 N PRO A 19 2.084 7.454 3.958 1.00 0.00 N ATOM 301 CA PRO A 19 1.155 7.474 2.870 1.00 0.00 C ATOM 302 C PRO A 19 -0.207 7.558 3.526 1.00 0.00 C ATOM 303 O PRO A 19 -0.689 6.588 4.103 1.00 0.00 O ATOM 304 CB PRO A 19 1.345 6.131 2.154 1.00 0.00 C ATOM 305 CG PRO A 19 2.454 5.427 2.873 1.00 0.00 C ATOM 306 CD PRO A 19 2.648 6.126 4.191 1.00 0.00 C ATOM 0 HA PRO A 19 1.279 8.290 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.428 5.542 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.596 6.282 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.206 4.377 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.371 5.454 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.133 5.608 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.701 6.180 4.466 1.00 0.00 H new ATOM 314 N PRO A 20 -0.808 8.732 3.508 1.00 0.00 N ATOM 315 CA PRO A 20 -1.941 9.046 4.322 1.00 0.00 C ATOM 316 C PRO A 20 -3.241 9.022 3.525 1.00 0.00 C ATOM 317 O PRO A 20 -3.235 8.695 2.342 1.00 0.00 O ATOM 318 CB PRO A 20 -1.517 10.437 4.788 1.00 0.00 C ATOM 319 CG PRO A 20 -0.875 11.048 3.591 1.00 0.00 C ATOM 320 CD PRO A 20 -0.416 9.898 2.731 1.00 0.00 C ATOM 0 HA PRO A 20 -2.165 8.351 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.374 11.023 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.823 10.381 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.579 11.681 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.034 11.679 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.895 9.910 1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.660 9.926 2.560 1.00 0.00 H new ATOM 328 N PHE A 21 -4.341 9.348 4.188 1.00 0.00 N ATOM 329 CA PHE A 21 -5.691 9.149 3.652 1.00 0.00 C ATOM 330 C PHE A 21 -5.830 9.515 2.169 1.00 0.00 C ATOM 331 O PHE A 21 -5.624 10.660 1.767 1.00 0.00 O ATOM 332 CB PHE A 21 -6.664 9.938 4.504 1.00 0.00 C ATOM 333 CG PHE A 21 -8.011 10.183 3.879 1.00 0.00 C ATOM 334 CD1 PHE A 21 -8.951 9.170 3.808 1.00 0.00 C ATOM 335 CD2 PHE A 21 -8.336 11.430 3.367 1.00 0.00 C ATOM 336 CE1 PHE A 21 -10.190 9.394 3.237 1.00 0.00 C ATOM 337 CE2 PHE A 21 -9.573 11.660 2.796 1.00 0.00 C ATOM 338 CZ PHE A 21 -10.501 10.640 2.731 1.00 0.00 C ATOM 0 H PHE A 21 -4.328 9.761 5.120 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.915 8.083 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.809 9.409 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.213 10.900 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.714 8.193 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.613 12.231 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.914 8.594 3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.813 12.636 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.469 10.817 2.285 1.00 0.00 H new ATOM 348 N GLY A 22 -6.163 8.500 1.372 1.00 0.00 N ATOM 349 CA GLY A 22 -6.381 8.683 -0.035 1.00 0.00 C ATOM 350 C GLY A 22 -5.145 8.338 -0.801 1.00 0.00 C ATOM 351 O GLY A 22 -5.051 8.597 -2.003 1.00 0.00 O ATOM 0 H GLY A 22 -6.285 7.540 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.209 8.056 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.664 9.717 -0.235 1.00 0.00 H new ATOM 355 N ALA A 23 -4.179 7.776 -0.078 1.00 0.00 N ATOM 356 CA ALA A 23 -3.008 7.222 -0.709 1.00 0.00 C ATOM 357 C ALA A 23 -3.423 6.144 -1.674 1.00 0.00 C ATOM 358 O ALA A 23 -3.722 5.020 -1.278 1.00 0.00 O ATOM 359 CB ALA A 23 -2.033 6.689 0.319 1.00 0.00 C ATOM 0 H ALA A 23 -4.193 7.698 0.939 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.495 8.011 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.160 6.277 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.722 7.498 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.514 5.907 0.906 1.00 0.00 H new ATOM 365 N SER A 24 -3.556 6.573 -2.907 1.00 0.00 N ATOM 366 CA SER A 24 -3.796 5.708 -4.050 1.00 0.00 C ATOM 367 C SER A 24 -2.711 4.666 -4.195 1.00 0.00 C ATOM 368 O SER A 24 -1.690 4.920 -4.821 1.00 0.00 O ATOM 369 CB SER A 24 -3.818 6.561 -5.300 1.00 0.00 C ATOM 370 OG SER A 24 -5.091 7.153 -5.502 1.00 0.00 O ATOM 0 H SER A 24 -3.499 7.561 -3.155 1.00 0.00 H new ATOM 0 HA SER A 24 -4.746 5.195 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.061 7.341 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.559 5.949 -6.164 1.00 0.00 H new ATOM 0 HG SER A 24 -5.073 7.699 -6.316 1.00 0.00 H new ATOM 376 N VAL A 25 -2.922 3.505 -3.622 1.00 0.00 N ATOM 377 CA VAL A 25 -1.922 2.466 -3.704 1.00 0.00 C ATOM 378 C VAL A 25 -2.159 1.621 -4.961 1.00 0.00 C ATOM 379 O VAL A 25 -2.998 0.697 -4.973 1.00 0.00 O ATOM 380 CB VAL A 25 -1.918 1.586 -2.430 1.00 0.00 C ATOM 381 CG1 VAL A 25 -0.530 1.417 -1.918 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.742 2.184 -1.311 1.00 0.00 C ATOM 0 H VAL A 25 -3.763 3.257 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.939 2.932 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.351 0.630 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.546 0.796 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.083 0.938 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.110 2.393 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.706 1.528 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.339 3.161 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.776 2.294 -1.639 1.00 0.00 H new ATOM 392 N THR A 26 -1.451 1.973 -6.042 1.00 0.00 N ATOM 393 CA THR A 26 -1.695 1.320 -7.325 1.00 0.00 C ATOM 394 C THR A 26 -0.398 0.820 -7.892 1.00 0.00 C ATOM 395 O THR A 26 0.560 1.565 -7.953 1.00 0.00 O ATOM 396 CB THR A 26 -2.371 2.260 -8.361 1.00 0.00 C ATOM 397 OG1 THR A 26 -1.950 1.929 -9.691 1.00 0.00 O ATOM 398 CG2 THR A 26 -2.072 3.726 -8.083 1.00 0.00 C ATOM 0 H THR A 26 -0.724 2.688 -6.052 1.00 0.00 H new ATOM 0 HA THR A 26 -2.380 0.494 -7.134 1.00 0.00 H new ATOM 0 HB THR A 26 -3.447 2.112 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.916 2.743 -10.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.565 4.346 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.441 3.991 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.996 3.892 -8.125 1.00 0.00 H new ATOM 406 N SER A 27 -0.353 -0.426 -8.321 1.00 0.00 N ATOM 407 CA SER A 27 0.909 -0.944 -8.818 1.00 0.00 C ATOM 408 C SER A 27 1.304 -0.195 -10.088 1.00 0.00 C ATOM 409 O SER A 27 0.515 0.591 -10.612 1.00 0.00 O ATOM 410 CB SER A 27 0.813 -2.441 -9.085 1.00 0.00 C ATOM 411 OG SER A 27 0.051 -2.708 -10.260 1.00 0.00 O ATOM 0 H SER A 27 -1.139 -1.076 -8.337 1.00 0.00 H new ATOM 0 HA SER A 27 1.677 -0.790 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.814 -2.858 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.353 -2.937 -8.230 1.00 0.00 H new ATOM 0 HG SER A 27 0.007 -3.676 -10.408 1.00 0.00 H new ATOM 417 N GLU A 28 2.510 -0.434 -10.581 1.00 0.00 N ATOM 418 CA GLU A 28 2.988 0.277 -11.765 1.00 0.00 C ATOM 419 C GLU A 28 2.100 0.016 -12.986 1.00 0.00 C ATOM 420 O GLU A 28 2.142 0.766 -13.962 1.00 0.00 O ATOM 421 CB GLU A 28 4.429 -0.119 -12.074 1.00 0.00 C ATOM 422 CG GLU A 28 5.410 0.253 -10.977 1.00 0.00 C ATOM 423 CD GLU A 28 6.824 -0.141 -11.327 1.00 0.00 C ATOM 424 OE1 GLU A 28 7.489 0.607 -12.072 1.00 0.00 O ATOM 425 OE2 GLU A 28 7.275 -1.210 -10.865 1.00 0.00 O ATOM 0 H GLU A 28 3.171 -1.105 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 28 2.944 1.344 -11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.474 -1.195 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.737 0.360 -13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.366 1.328 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.117 -0.235 -10.047 1.00 0.00 H new ATOM 432 N LYS A 29 1.303 -1.045 -12.933 1.00 0.00 N ATOM 433 CA LYS A 29 0.390 -1.357 -14.027 1.00 0.00 C ATOM 434 C LYS A 29 -0.990 -0.758 -13.771 1.00 0.00 C ATOM 435 O LYS A 29 -1.858 -0.778 -14.643 1.00 0.00 O ATOM 436 CB LYS A 29 0.291 -2.870 -14.230 1.00 0.00 C ATOM 437 CG LYS A 29 1.632 -3.525 -14.529 1.00 0.00 C ATOM 438 CD LYS A 29 1.475 -4.968 -14.978 1.00 0.00 C ATOM 439 CE LYS A 29 0.696 -5.060 -16.281 1.00 0.00 C ATOM 440 NZ LYS A 29 0.718 -6.434 -16.845 1.00 0.00 N ATOM 0 H LYS A 29 1.270 -1.699 -12.151 1.00 0.00 H new ATOM 0 HA LYS A 29 0.789 -0.913 -14.939 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.135 -3.323 -13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.397 -3.076 -15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.147 -2.958 -15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.259 -3.489 -13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.458 -5.420 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.961 -5.538 -14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.336 -4.755 -16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.118 -4.364 -17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.176 -6.454 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.701 -6.716 -17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.292 -7.095 -16.165 1.00 0.00 H new ATOM 454 N GLY A 30 -1.188 -0.234 -12.565 1.00 0.00 N ATOM 455 CA GLY A 30 -2.407 0.448 -12.282 1.00 0.00 C ATOM 456 C GLY A 30 -3.310 -0.425 -11.491 1.00 0.00 C ATOM 457 O GLY A 30 -4.530 -0.269 -11.533 1.00 0.00 O ATOM 0 H GLY A 30 -0.522 -0.276 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.200 1.365 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.894 0.739 -13.213 1.00 0.00 H new ATOM 461 N ARG A 31 -2.719 -1.384 -10.791 1.00 0.00 N ATOM 462 CA ARG A 31 -3.509 -2.126 -9.862 1.00 0.00 C ATOM 463 C ARG A 31 -3.791 -1.251 -8.664 1.00 0.00 C ATOM 464 O ARG A 31 -3.015 -1.231 -7.712 1.00 0.00 O ATOM 465 CB ARG A 31 -2.840 -3.421 -9.407 1.00 0.00 C ATOM 466 CG ARG A 31 -2.924 -4.558 -10.404 1.00 0.00 C ATOM 467 CD ARG A 31 -2.516 -5.871 -9.759 1.00 0.00 C ATOM 468 NE ARG A 31 -1.144 -5.830 -9.260 1.00 0.00 N ATOM 469 CZ ARG A 31 -0.810 -5.810 -7.968 1.00 0.00 C ATOM 470 NH1 ARG A 31 -1.745 -5.825 -7.027 1.00 0.00 N ATOM 471 NH2 ARG A 31 0.464 -5.768 -7.622 1.00 0.00 N ATOM 0 H ARG A 31 -1.736 -1.647 -10.854 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.431 -2.414 -10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.790 -3.217 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.297 -3.741 -8.471 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.941 -4.637 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.277 -4.349 -11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.195 -6.098 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.614 -6.678 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.389 -5.816 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.731 -5.852 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.478 -5.809 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.187 -5.751 -8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.724 -5.753 -6.636 1.00 0.00 H new ATOM 485 N GLU A 32 -4.870 -0.498 -8.744 1.00 0.00 N ATOM 486 CA GLU A 32 -5.249 0.404 -7.688 1.00 0.00 C ATOM 487 C GLU A 32 -6.014 -0.385 -6.644 1.00 0.00 C ATOM 488 O GLU A 32 -7.243 -0.363 -6.593 1.00 0.00 O ATOM 489 CB GLU A 32 -6.087 1.553 -8.253 1.00 0.00 C ATOM 490 CG GLU A 32 -5.551 2.089 -9.575 1.00 0.00 C ATOM 491 CD GLU A 32 -6.284 3.327 -10.048 1.00 0.00 C ATOM 492 OE1 GLU A 32 -7.401 3.187 -10.591 1.00 0.00 O ATOM 493 OE2 GLU A 32 -5.746 4.443 -9.893 1.00 0.00 O ATOM 0 H GLU A 32 -5.504 -0.498 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.367 0.847 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.112 1.211 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.119 2.364 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.491 2.320 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.631 1.312 -10.336 1.00 0.00 H new ATOM 500 N LEU A 33 -5.260 -1.114 -5.842 1.00 0.00 N ATOM 501 CA LEU A 33 -5.833 -2.127 -4.967 1.00 0.00 C ATOM 502 C LEU A 33 -5.509 -1.836 -3.530 1.00 0.00 C ATOM 503 O LEU A 33 -5.701 -2.673 -2.649 1.00 0.00 O ATOM 504 CB LEU A 33 -5.324 -3.492 -5.377 1.00 0.00 C ATOM 505 CG LEU A 33 -5.762 -3.937 -6.780 1.00 0.00 C ATOM 506 CD1 LEU A 33 -5.129 -5.264 -7.165 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.276 -4.032 -6.857 1.00 0.00 C ATOM 0 H LEU A 33 -4.246 -1.025 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.919 -2.113 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.235 -3.488 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.669 -4.228 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.418 -3.185 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.460 -5.549 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.044 -5.165 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.428 -6.031 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.570 -4.349 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.633 -4.759 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.713 -3.057 -6.642 1.00 0.00 H new ATOM 519 N GLY A 34 -5.019 -0.632 -3.328 1.00 0.00 N ATOM 520 CA GLY A 34 -4.978 -0.028 -2.017 1.00 0.00 C ATOM 521 C GLY A 34 -5.381 1.444 -2.094 1.00 0.00 C ATOM 522 O GLY A 34 -5.173 2.064 -3.130 1.00 0.00 O ATOM 0 H GLY A 34 -4.638 -0.045 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.650 -0.560 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.974 -0.115 -1.601 1.00 0.00 H new ATOM 526 N MET A 35 -5.983 1.982 -1.026 1.00 0.00 N ATOM 527 CA MET A 35 -6.058 3.440 -0.790 1.00 0.00 C ATOM 528 C MET A 35 -6.192 3.683 0.684 1.00 0.00 C ATOM 529 O MET A 35 -7.069 3.110 1.331 1.00 0.00 O ATOM 530 CB MET A 35 -7.209 4.151 -1.511 1.00 0.00 C ATOM 531 CG MET A 35 -7.135 4.011 -3.005 1.00 0.00 C ATOM 532 SD MET A 35 -8.670 4.446 -3.854 1.00 0.00 S ATOM 533 CE MET A 35 -9.843 3.362 -3.042 1.00 0.00 C ATOM 0 H MET A 35 -6.433 1.425 -0.299 1.00 0.00 H new ATOM 0 HA MET A 35 -5.139 3.859 -1.201 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.158 3.746 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.198 5.209 -1.249 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.331 4.644 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.873 2.982 -3.252 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.413 2.815 -3.793 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.307 2.656 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.523 3.955 -2.430 1.00 0.00 H new ATOM 543 N VAL A 36 -5.310 4.503 1.217 1.00 0.00 N ATOM 544 CA VAL A 36 -5.309 4.752 2.648 1.00 0.00 C ATOM 545 C VAL A 36 -6.624 5.366 3.109 1.00 0.00 C ATOM 546 O VAL A 36 -7.170 6.249 2.463 1.00 0.00 O ATOM 547 CB VAL A 36 -4.134 5.643 3.077 1.00 0.00 C ATOM 548 CG1 VAL A 36 -4.350 6.187 4.482 1.00 0.00 C ATOM 549 CG2 VAL A 36 -2.849 4.860 3.041 1.00 0.00 C ATOM 0 H VAL A 36 -4.593 5.003 0.692 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.190 3.781 3.130 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.074 6.479 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.505 6.815 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.265 6.779 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.435 5.358 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.023 5.502 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.921 4.012 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.671 4.498 2.028 1.00 0.00 H new ATOM 559 N ALA A 37 -7.147 4.861 4.207 1.00 0.00 N ATOM 560 CA ALA A 37 -8.305 5.460 4.832 1.00 0.00 C ATOM 561 C ALA A 37 -8.099 5.512 6.332 1.00 0.00 C ATOM 562 O ALA A 37 -7.966 4.472 6.979 1.00 0.00 O ATOM 563 CB ALA A 37 -9.574 4.706 4.476 1.00 0.00 C ATOM 0 H ALA A 37 -6.787 4.035 4.685 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.422 6.477 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.427 5.180 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.716 4.722 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.491 3.674 4.816 1.00 0.00 H new ATOM 569 N ASP A 38 -8.060 6.734 6.862 1.00 0.00 N ATOM 570 CA ASP A 38 -7.769 6.985 8.274 1.00 0.00 C ATOM 571 C ASP A 38 -6.297 6.739 8.583 1.00 0.00 C ATOM 572 O ASP A 38 -5.790 5.623 8.442 1.00 0.00 O ATOM 573 CB ASP A 38 -8.649 6.144 9.209 1.00 0.00 C ATOM 574 CG ASP A 38 -10.106 6.551 9.168 1.00 0.00 C ATOM 575 OD1 ASP A 38 -10.455 7.571 9.795 1.00 0.00 O ATOM 576 OD2 ASP A 38 -10.909 5.846 8.522 1.00 0.00 O ATOM 0 H ASP A 38 -8.230 7.582 6.322 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.000 8.035 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.562 5.093 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.279 6.238 10.230 1.00 0.00 H new ATOM 581 N GLU A 39 -5.622 7.807 8.990 1.00 0.00 N ATOM 582 CA GLU A 39 -4.221 7.765 9.388 1.00 0.00 C ATOM 583 C GLU A 39 -3.313 7.349 8.231 1.00 0.00 C ATOM 584 O GLU A 39 -2.934 8.186 7.412 1.00 0.00 O ATOM 585 CB GLU A 39 -4.017 6.848 10.599 1.00 0.00 C ATOM 586 CG GLU A 39 -4.926 7.180 11.775 1.00 0.00 C ATOM 587 CD GLU A 39 -4.925 8.654 12.125 1.00 0.00 C ATOM 588 OE1 GLU A 39 -3.905 9.150 12.645 1.00 0.00 O ATOM 589 OE2 GLU A 39 -5.946 9.331 11.869 1.00 0.00 O ATOM 0 H GLU A 39 -6.037 8.737 9.054 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.939 8.778 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.191 5.816 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.978 6.914 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.944 6.869 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.610 6.605 12.645 1.00 0.00 H new ATOM 596 N GLY A 40 -2.986 6.062 8.143 1.00 0.00 N ATOM 597 CA GLY A 40 -2.036 5.651 7.130 1.00 0.00 C ATOM 598 C GLY A 40 -2.076 4.169 6.812 1.00 0.00 C ATOM 599 O GLY A 40 -1.047 3.489 6.869 1.00 0.00 O ATOM 0 H GLY A 40 -3.351 5.317 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.229 6.213 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.031 5.914 7.461 1.00 0.00 H new ATOM 603 N LEU A 41 -3.253 3.653 6.492 1.00 0.00 N ATOM 604 CA LEU A 41 -3.319 2.295 5.989 1.00 0.00 C ATOM 605 C LEU A 41 -4.364 2.187 4.887 1.00 0.00 C ATOM 606 O LEU A 41 -5.432 2.798 4.959 1.00 0.00 O ATOM 607 CB LEU A 41 -3.530 1.279 7.141 1.00 0.00 C ATOM 608 CG LEU A 41 -4.951 0.946 7.618 1.00 0.00 C ATOM 609 CD1 LEU A 41 -5.772 2.200 7.861 1.00 0.00 C ATOM 610 CD2 LEU A 41 -5.627 -0.016 6.651 1.00 0.00 C ATOM 0 H LEU A 41 -4.147 4.137 6.569 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.361 2.035 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.062 0.343 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.976 1.648 8.004 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.878 0.442 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.771 1.922 8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.289 2.809 8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.847 2.771 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.633 -0.241 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.684 0.441 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.049 -0.938 6.591 1.00 0.00 H new ATOM 622 N ALA A 42 -4.036 1.436 3.850 1.00 0.00 N ATOM 623 CA ALA A 42 -4.926 1.319 2.704 1.00 0.00 C ATOM 624 C ALA A 42 -5.977 0.252 2.918 1.00 0.00 C ATOM 625 O ALA A 42 -5.665 -0.911 3.196 1.00 0.00 O ATOM 626 CB ALA A 42 -4.162 1.087 1.406 1.00 0.00 C ATOM 0 H ALA A 42 -3.170 0.903 3.776 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.440 2.275 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.867 1.006 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.487 1.924 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.585 0.165 1.483 1.00 0.00 H new ATOM 632 N TRP A 43 -7.218 0.692 2.810 1.00 0.00 N ATOM 633 CA TRP A 43 -8.380 -0.155 2.920 1.00 0.00 C ATOM 634 C TRP A 43 -8.868 -0.559 1.542 1.00 0.00 C ATOM 635 O TRP A 43 -9.722 0.107 0.965 1.00 0.00 O ATOM 636 CB TRP A 43 -9.462 0.605 3.614 1.00 0.00 C ATOM 637 CG TRP A 43 -9.252 0.490 5.049 1.00 0.00 C ATOM 638 CD1 TRP A 43 -8.611 1.357 5.871 1.00 0.00 C ATOM 639 CD2 TRP A 43 -9.601 -0.640 5.817 1.00 0.00 C ATOM 640 NE1 TRP A 43 -8.529 0.817 7.121 1.00 0.00 N ATOM 641 CE2 TRP A 43 -9.138 -0.410 7.103 1.00 0.00 C ATOM 642 CE3 TRP A 43 -10.270 -1.833 5.531 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -9.300 -1.322 8.103 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -10.443 -2.748 6.546 1.00 0.00 C ATOM 645 CH2 TRP A 43 -9.950 -2.491 7.822 1.00 0.00 C ATOM 0 H TRP A 43 -7.445 1.672 2.639 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.120 -1.052 3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.446 1.652 3.310 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.440 0.209 3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.226 2.324 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.089 1.253 7.931 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.643 -2.033 4.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.923 -1.125 9.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.966 -3.673 6.350 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.083 -3.226 8.602 1.00 0.00 H new ATOM 656 N LEU A 44 -8.329 -1.641 1.037 1.00 0.00 N ATOM 657 CA LEU A 44 -8.507 -2.048 -0.350 1.00 0.00 C ATOM 658 C LEU A 44 -8.264 -3.545 -0.437 1.00 0.00 C ATOM 659 O LEU A 44 -8.353 -4.219 0.580 1.00 0.00 O ATOM 660 CB LEU A 44 -7.669 -1.238 -1.329 1.00 0.00 C ATOM 661 CG LEU A 44 -8.347 0.027 -1.914 1.00 0.00 C ATOM 662 CD1 LEU A 44 -7.872 0.312 -3.330 1.00 0.00 C ATOM 663 CD2 LEU A 44 -9.849 -0.083 -1.929 1.00 0.00 C ATOM 0 H LEU A 44 -7.745 -2.278 1.579 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.530 -1.834 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.750 -0.935 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.381 -1.888 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.058 0.846 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.369 1.206 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.794 0.470 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.113 -0.535 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.276 0.828 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.145 -0.936 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.214 -0.220 -0.911 1.00 0.00 H new ATOM 675 N SER A 45 -8.108 -4.086 -1.628 1.00 0.00 N ATOM 676 CA SER A 45 -8.060 -5.517 -1.763 1.00 0.00 C ATOM 677 C SER A 45 -7.257 -5.906 -3.007 1.00 0.00 C ATOM 678 O SER A 45 -7.711 -5.711 -4.134 1.00 0.00 O ATOM 679 CB SER A 45 -9.491 -6.035 -1.814 1.00 0.00 C ATOM 680 OG SER A 45 -9.629 -7.198 -2.615 1.00 0.00 O ATOM 0 H SER A 45 -8.014 -3.563 -2.499 1.00 0.00 H new ATOM 0 HA SER A 45 -7.552 -5.971 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.829 -6.255 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.142 -5.252 -2.204 1.00 0.00 H new ATOM 0 HG SER A 45 -10.565 -7.488 -2.612 1.00 0.00 H new ATOM 686 N GLY A 46 -6.040 -6.410 -2.801 1.00 0.00 N ATOM 687 CA GLY A 46 -5.242 -6.849 -3.932 1.00 0.00 C ATOM 688 C GLY A 46 -3.765 -6.504 -3.816 1.00 0.00 C ATOM 689 O GLY A 46 -3.289 -5.581 -4.469 1.00 0.00 O ATOM 0 H GLY A 46 -5.600 -6.520 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.345 -7.929 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.640 -6.399 -4.841 1.00 0.00 H new ATOM 693 N VAL A 47 -3.030 -7.242 -2.998 1.00 0.00 N ATOM 694 CA VAL A 47 -1.603 -6.965 -2.851 1.00 0.00 C ATOM 695 C VAL A 47 -0.767 -8.188 -3.236 1.00 0.00 C ATOM 696 O VAL A 47 -1.177 -9.328 -3.000 1.00 0.00 O ATOM 697 CB VAL A 47 -1.255 -6.518 -1.409 1.00 0.00 C ATOM 698 CG1 VAL A 47 -1.493 -7.638 -0.409 1.00 0.00 C ATOM 699 CG2 VAL A 47 0.179 -6.014 -1.324 1.00 0.00 C ATOM 0 H VAL A 47 -3.382 -8.018 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.362 -6.146 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.921 -5.694 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.239 -7.291 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.542 -7.933 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.869 -8.494 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.397 -5.707 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.863 -6.811 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.306 -5.163 -1.993 1.00 0.00 H new ATOM 709 N THR A 48 0.385 -7.952 -3.858 1.00 0.00 N ATOM 710 CA THR A 48 1.297 -9.030 -4.208 1.00 0.00 C ATOM 711 C THR A 48 2.627 -8.863 -3.468 1.00 0.00 C ATOM 712 O THR A 48 3.224 -7.788 -3.480 1.00 0.00 O ATOM 713 CB THR A 48 1.565 -9.066 -5.727 1.00 0.00 C ATOM 714 OG1 THR A 48 0.328 -8.976 -6.448 1.00 0.00 O ATOM 715 CG2 THR A 48 2.285 -10.348 -6.129 1.00 0.00 C ATOM 0 H THR A 48 0.707 -7.023 -4.129 1.00 0.00 H new ATOM 0 HA THR A 48 0.826 -9.967 -3.912 1.00 0.00 H new ATOM 0 HB THR A 48 2.200 -8.215 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.508 -8.998 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.460 -10.345 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.239 -10.409 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.671 -11.209 -5.864 1.00 0.00 H new ATOM 723 N PRO A 49 3.099 -9.925 -2.803 1.00 0.00 N ATOM 724 CA PRO A 49 4.376 -9.902 -2.084 1.00 0.00 C ATOM 725 C PRO A 49 5.568 -9.807 -3.032 1.00 0.00 C ATOM 726 O PRO A 49 5.677 -10.584 -3.988 1.00 0.00 O ATOM 727 CB PRO A 49 4.389 -11.239 -1.339 1.00 0.00 C ATOM 728 CG PRO A 49 3.487 -12.125 -2.129 1.00 0.00 C ATOM 729 CD PRO A 49 2.425 -11.229 -2.700 1.00 0.00 C ATOM 0 HA PRO A 49 4.462 -9.035 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.397 -11.650 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.033 -11.125 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.036 -12.634 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.048 -12.898 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.082 -11.582 -3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.550 -11.179 -2.052 1.00 0.00 H new ATOM 737 N GLY A 50 6.456 -8.857 -2.775 1.00 0.00 N ATOM 738 CA GLY A 50 7.616 -8.699 -3.626 1.00 0.00 C ATOM 739 C GLY A 50 7.384 -7.683 -4.725 1.00 0.00 C ATOM 740 O GLY A 50 7.866 -7.861 -5.843 1.00 0.00 O ATOM 0 H GLY A 50 6.395 -8.198 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.469 -8.390 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.872 -9.661 -4.071 1.00 0.00 H new ATOM 744 N GLU A 51 6.644 -6.613 -4.426 1.00 0.00 N ATOM 745 CA GLU A 51 6.242 -5.727 -5.519 1.00 0.00 C ATOM 746 C GLU A 51 6.573 -4.265 -5.274 1.00 0.00 C ATOM 747 O GLU A 51 6.992 -3.876 -4.187 1.00 0.00 O ATOM 748 CB GLU A 51 4.748 -5.857 -5.793 1.00 0.00 C ATOM 749 CG GLU A 51 3.863 -4.946 -4.959 1.00 0.00 C ATOM 750 CD GLU A 51 2.478 -4.812 -5.555 1.00 0.00 C ATOM 751 OE1 GLU A 51 2.320 -4.001 -6.492 1.00 0.00 O ATOM 752 OE2 GLU A 51 1.551 -5.535 -5.120 1.00 0.00 O ATOM 0 H GLU A 51 6.326 -6.349 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 51 6.821 -6.050 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.567 -5.649 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.450 -6.890 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.787 -5.341 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.323 -3.961 -4.883 1.00 0.00 H new ATOM 759 N THR A 52 6.343 -3.466 -6.313 1.00 0.00 N ATOM 760 CA THR A 52 6.573 -2.038 -6.261 1.00 0.00 C ATOM 761 C THR A 52 5.287 -1.262 -6.555 1.00 0.00 C ATOM 762 O THR A 52 4.962 -0.967 -7.709 1.00 0.00 O ATOM 763 CB THR A 52 7.677 -1.618 -7.253 1.00 0.00 C ATOM 764 OG1 THR A 52 7.513 -2.321 -8.494 1.00 0.00 O ATOM 765 CG2 THR A 52 9.059 -1.904 -6.683 1.00 0.00 C ATOM 0 H THR A 52 5.992 -3.797 -7.212 1.00 0.00 H new ATOM 0 HA THR A 52 6.902 -1.797 -5.250 1.00 0.00 H new ATOM 0 HB THR A 52 7.589 -0.545 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.762 -1.734 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.819 -1.599 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.192 -1.347 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.156 -2.971 -6.483 1.00 0.00 H new ATOM 773 N LEU A 53 4.543 -0.978 -5.499 1.00 0.00 N ATOM 774 CA LEU A 53 3.350 -0.152 -5.575 1.00 0.00 C ATOM 775 C LEU A 53 3.702 1.284 -5.898 1.00 0.00 C ATOM 776 O LEU A 53 4.779 1.760 -5.543 1.00 0.00 O ATOM 777 CB LEU A 53 2.620 -0.141 -4.240 1.00 0.00 C ATOM 778 CG LEU A 53 1.769 -1.357 -3.935 1.00 0.00 C ATOM 779 CD1 LEU A 53 1.462 -1.439 -2.447 1.00 0.00 C ATOM 780 CD2 LEU A 53 0.482 -1.268 -4.734 1.00 0.00 C ATOM 0 H LEU A 53 4.751 -1.316 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 53 2.722 -0.576 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.359 -0.031 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.982 0.742 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 53 2.314 -2.259 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.850 -2.319 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.394 -1.512 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.922 -0.545 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.139 -2.139 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.057 -0.362 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.716 -1.239 -5.798 1.00 0.00 H new ATOM 792 N SER A 54 2.779 1.972 -6.538 1.00 0.00 N ATOM 793 CA SER A 54 2.902 3.397 -6.719 1.00 0.00 C ATOM 794 C SER A 54 1.701 4.113 -6.139 1.00 0.00 C ATOM 795 O SER A 54 0.559 3.861 -6.502 1.00 0.00 O ATOM 796 CB SER A 54 3.174 3.761 -8.184 1.00 0.00 C ATOM 797 OG SER A 54 2.221 3.187 -9.066 1.00 0.00 O ATOM 0 H SER A 54 1.936 1.563 -6.941 1.00 0.00 H new ATOM 0 HA SER A 54 3.774 3.743 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.162 4.845 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.173 3.423 -8.461 1.00 0.00 H new ATOM 0 HG SER A 54 1.504 2.769 -8.545 1.00 0.00 H new ATOM 803 N VAL A 55 1.992 5.001 -5.210 1.00 0.00 N ATOM 804 CA VAL A 55 0.999 5.514 -4.296 1.00 0.00 C ATOM 805 C VAL A 55 0.853 7.039 -4.422 1.00 0.00 C ATOM 806 O VAL A 55 1.799 7.797 -4.177 1.00 0.00 O ATOM 807 CB VAL A 55 1.382 5.113 -2.855 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.221 5.296 -1.898 1.00 0.00 C ATOM 809 CG2 VAL A 55 1.906 3.679 -2.814 1.00 0.00 C ATOM 0 H VAL A 55 2.926 5.386 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 55 0.031 5.080 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 55 2.181 5.778 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.528 5.004 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.086 6.342 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.615 4.674 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.170 3.417 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.134 2.999 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.788 3.596 -3.448 1.00 0.00 H new ATOM 819 N ASN A 56 -0.345 7.468 -4.807 1.00 0.00 N ATOM 820 CA ASN A 56 -0.622 8.879 -5.104 1.00 0.00 C ATOM 821 C ASN A 56 -1.392 9.559 -3.974 1.00 0.00 C ATOM 822 O ASN A 56 -2.183 8.912 -3.292 1.00 0.00 O ATOM 823 CB ASN A 56 -1.498 9.000 -6.370 1.00 0.00 C ATOM 824 CG ASN A 56 -0.815 8.661 -7.670 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.269 9.530 -8.344 1.00 0.00 O ATOM 826 ND2 ASN A 56 -0.874 7.396 -8.054 1.00 0.00 N ATOM 0 H ASN A 56 -1.151 6.854 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 56 0.347 9.359 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.364 8.348 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.874 10.021 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.456 7.112 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.337 6.705 -7.464 1.00 0.00 H new ATOM 833 N TRP A 57 -1.162 10.867 -3.785 1.00 0.00 N ATOM 834 CA TRP A 57 -2.115 11.681 -3.036 1.00 0.00 C ATOM 835 C TRP A 57 -1.933 13.193 -3.294 1.00 0.00 C ATOM 836 O TRP A 57 -1.811 13.598 -4.440 1.00 0.00 O ATOM 837 CB TRP A 57 -2.153 11.277 -1.549 1.00 0.00 C ATOM 838 CG TRP A 57 -1.084 11.816 -0.642 1.00 0.00 C ATOM 839 CD1 TRP A 57 -1.116 13.019 -0.010 1.00 0.00 C ATOM 840 CD2 TRP A 57 0.116 11.176 -0.193 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.006 13.212 0.719 1.00 0.00 N ATOM 842 CE2 TRP A 57 0.766 12.095 0.645 1.00 0.00 C ATOM 843 CE3 TRP A 57 0.731 9.939 -0.421 1.00 0.00 C ATOM 844 CZ2 TRP A 57 1.969 11.834 1.244 1.00 0.00 C ATOM 845 CZ3 TRP A 57 1.945 9.687 0.205 1.00 0.00 C ATOM 846 CH2 TRP A 57 2.548 10.632 1.021 1.00 0.00 C ATOM 0 H TRP A 57 -0.345 11.368 -4.133 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.114 11.468 -3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.118 11.582 -1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -2.116 10.189 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.929 13.726 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.240 14.058 1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.275 9.202 -1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.443 12.569 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.430 8.734 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.496 10.405 1.486 1.00 0.00 H new ATOM 857 N ASP A 58 -2.016 14.018 -2.259 1.00 0.00 N ATOM 858 CA ASP A 58 -1.633 15.437 -2.325 1.00 0.00 C ATOM 859 C ASP A 58 -0.352 15.631 -3.115 1.00 0.00 C ATOM 860 O ASP A 58 -0.331 16.369 -4.100 1.00 0.00 O ATOM 861 CB ASP A 58 -1.393 15.992 -0.925 1.00 0.00 C ATOM 862 CG ASP A 58 -0.979 17.445 -0.955 1.00 0.00 C ATOM 863 OD1 ASP A 58 -1.848 18.309 -1.184 1.00 0.00 O ATOM 864 OD2 ASP A 58 0.222 17.724 -0.764 1.00 0.00 O ATOM 0 H ASP A 58 -2.352 13.728 -1.341 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.454 15.961 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.302 15.886 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.620 15.405 -0.430 1.00 0.00 H new ATOM 869 N GLY A 59 0.727 14.979 -2.674 1.00 0.00 N ATOM 870 CA GLY A 59 1.962 15.041 -3.445 1.00 0.00 C ATOM 871 C GLY A 59 1.910 14.066 -4.597 1.00 0.00 C ATOM 872 O GLY A 59 2.843 13.962 -5.393 1.00 0.00 O ATOM 0 H GLY A 59 0.769 14.423 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.113 16.052 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.812 14.810 -2.803 1.00 0.00 H new ATOM 876 N LYS A 60 0.790 13.350 -4.648 1.00 0.00 N ATOM 877 CA LYS A 60 0.465 12.452 -5.744 1.00 0.00 C ATOM 878 C LYS A 60 1.339 11.242 -5.713 1.00 0.00 C ATOM 879 O LYS A 60 1.564 10.708 -4.635 1.00 0.00 O ATOM 880 CB LYS A 60 0.490 13.225 -7.043 1.00 0.00 C ATOM 881 CG LYS A 60 -0.367 14.464 -6.891 1.00 0.00 C ATOM 882 CD LYS A 60 -0.780 15.053 -8.235 1.00 0.00 C ATOM 883 CE LYS A 60 0.442 15.428 -9.066 1.00 0.00 C ATOM 884 NZ LYS A 60 0.102 16.273 -10.242 1.00 0.00 N ATOM 0 H LYS A 60 0.077 13.380 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.547 12.061 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.513 13.503 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.116 12.605 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.259 14.217 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.182 15.214 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.388 14.331 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.400 15.935 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.155 15.960 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.936 14.519 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.969 16.498 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.557 15.758 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.345 17.155 -9.918 1.00 0.00 H new ATOM 898 N ILE A 61 1.750 10.750 -6.849 1.00 0.00 N ATOM 899 CA ILE A 61 2.558 9.553 -6.832 1.00 0.00 C ATOM 900 C ILE A 61 3.905 9.904 -6.206 1.00 0.00 C ATOM 901 O ILE A 61 4.797 10.499 -6.808 1.00 0.00 O ATOM 902 CB ILE A 61 2.625 8.862 -8.233 1.00 0.00 C ATOM 903 CG1 ILE A 61 2.260 7.375 -8.103 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.971 9.008 -8.925 1.00 0.00 C ATOM 905 CD1 ILE A 61 2.106 6.683 -9.443 1.00 0.00 C ATOM 0 H ILE A 61 1.550 11.139 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 61 2.101 8.783 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 61 1.900 9.377 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.031 6.867 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.329 7.283 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.940 8.503 -9.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.190 10.065 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.749 8.560 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.848 5.636 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.315 7.169 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.044 6.746 -9.995 1.00 0.00 H new ATOM 917 N GLN A 62 3.968 9.641 -4.918 1.00 0.00 N ATOM 918 CA GLN A 62 5.082 10.085 -4.116 1.00 0.00 C ATOM 919 C GLN A 62 5.506 9.022 -3.142 1.00 0.00 C ATOM 920 O GLN A 62 6.692 8.844 -2.871 1.00 0.00 O ATOM 921 CB GLN A 62 4.764 11.399 -3.409 1.00 0.00 C ATOM 922 CG GLN A 62 3.416 11.525 -2.728 1.00 0.00 C ATOM 923 CD GLN A 62 3.478 12.531 -1.601 1.00 0.00 C ATOM 924 OE1 GLN A 62 2.379 13.211 -1.358 1.00 0.00 O flip ATOM 925 NE2 GLN A 62 4.516 12.705 -0.961 1.00 0.00 N flip ATOM 0 H GLN A 62 3.257 9.120 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 62 5.923 10.270 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.536 11.571 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.846 12.202 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.663 11.831 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.107 10.555 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.348 12.157 -1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.543 13.397 -0.212 1.00 0.00 H new ATOM 934 N CYS A 63 4.537 8.322 -2.617 1.00 0.00 N ATOM 935 CA CYS A 63 4.838 7.112 -1.901 1.00 0.00 C ATOM 936 C CYS A 63 4.878 5.977 -2.893 1.00 0.00 C ATOM 937 O CYS A 63 4.120 5.981 -3.852 1.00 0.00 O ATOM 938 CB CYS A 63 3.788 6.830 -0.835 1.00 0.00 C ATOM 939 SG CYS A 63 4.430 6.945 0.852 1.00 0.00 S ATOM 0 H CYS A 63 3.547 8.563 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 63 5.800 7.218 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.964 7.534 -0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.379 5.832 -0.993 1.00 0.00 H new ATOM 944 N GLN A 64 5.778 5.035 -2.709 1.00 0.00 N ATOM 945 CA GLN A 64 5.781 3.844 -3.529 1.00 0.00 C ATOM 946 C GLN A 64 6.092 2.689 -2.660 1.00 0.00 C ATOM 947 O GLN A 64 7.107 2.688 -1.967 1.00 0.00 O ATOM 948 CB GLN A 64 6.791 3.928 -4.650 1.00 0.00 C ATOM 949 CG GLN A 64 6.530 5.105 -5.530 1.00 0.00 C ATOM 950 CD GLN A 64 7.521 5.251 -6.671 1.00 0.00 C ATOM 951 OE1 GLN A 64 8.751 4.807 -6.452 1.00 0.00 O flip ATOM 952 NE2 GLN A 64 7.185 5.759 -7.740 1.00 0.00 N flip ATOM 0 H GLN A 64 6.513 5.070 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 64 4.800 3.734 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.795 3.999 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.756 3.014 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.525 5.022 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.552 6.011 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.228 6.089 -7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.863 5.850 -8.497 1.00 0.00 H new ATOM 961 N VAL A 65 5.243 1.708 -2.662 1.00 0.00 N ATOM 962 CA VAL A 65 5.438 0.756 -1.631 1.00 0.00 C ATOM 963 C VAL A 65 6.181 -0.460 -2.111 1.00 0.00 C ATOM 964 O VAL A 65 5.849 -1.028 -3.140 1.00 0.00 O ATOM 965 CB VAL A 65 4.127 0.336 -0.949 1.00 0.00 C ATOM 966 CG1 VAL A 65 4.298 -0.952 -0.158 1.00 0.00 C ATOM 967 CG2 VAL A 65 3.675 1.438 -0.038 1.00 0.00 C ATOM 0 H VAL A 65 4.471 1.555 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 65 6.052 1.263 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 65 3.378 0.154 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.351 -1.219 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.609 -1.753 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.056 -0.808 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.745 1.148 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.439 1.622 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.512 2.346 -0.618 1.00 0.00 H new ATOM 977 N ASN A 66 7.186 -0.869 -1.371 1.00 0.00 N ATOM 978 CA ASN A 66 7.850 -2.094 -1.746 1.00 0.00 C ATOM 979 C ASN A 66 7.378 -3.235 -0.872 1.00 0.00 C ATOM 980 O ASN A 66 7.768 -3.356 0.289 1.00 0.00 O ATOM 981 CB ASN A 66 9.375 -1.950 -1.676 1.00 0.00 C ATOM 982 CG ASN A 66 10.109 -3.198 -2.141 1.00 0.00 C ATOM 983 OD1 ASN A 66 9.641 -3.924 -3.017 1.00 0.00 O ATOM 984 ND2 ASN A 66 11.268 -3.460 -1.552 1.00 0.00 N ATOM 0 H ASN A 66 7.549 -0.397 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 66 7.589 -2.315 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.684 -1.103 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.667 -1.724 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.802 -4.286 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.625 -2.835 -0.829 1.00 0.00 H new ATOM 991 N VAL A 67 6.507 -4.047 -1.437 1.00 0.00 N ATOM 992 CA VAL A 67 5.974 -5.183 -0.719 1.00 0.00 C ATOM 993 C VAL A 67 7.015 -6.283 -0.641 1.00 0.00 C ATOM 994 O VAL A 67 7.594 -6.654 -1.652 1.00 0.00 O ATOM 995 CB VAL A 67 4.681 -5.715 -1.369 1.00 0.00 C ATOM 996 CG1 VAL A 67 4.079 -6.832 -0.530 1.00 0.00 C ATOM 997 CG2 VAL A 67 3.674 -4.588 -1.551 1.00 0.00 C ATOM 0 H VAL A 67 6.155 -3.940 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 67 5.722 -4.852 0.289 1.00 0.00 H new ATOM 0 HB VAL A 67 4.932 -6.118 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.167 -7.194 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.794 -7.650 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.843 -6.453 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.767 -4.981 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.431 -4.157 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.102 -3.818 -2.193 1.00 0.00 H new ATOM 1007 N PRO A 68 7.304 -6.766 0.576 1.00 0.00 N ATOM 1008 CA PRO A 68 8.219 -7.875 0.808 1.00 0.00 C ATOM 1009 C PRO A 68 7.497 -9.223 0.797 1.00 0.00 C ATOM 1010 O PRO A 68 6.265 -9.277 0.788 1.00 0.00 O ATOM 1011 CB PRO A 68 8.786 -7.577 2.204 1.00 0.00 C ATOM 1012 CG PRO A 68 7.945 -6.470 2.780 1.00 0.00 C ATOM 1013 CD PRO A 68 6.788 -6.251 1.843 1.00 0.00 C ATOM 0 HA PRO A 68 8.982 -7.952 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.746 -8.464 2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.832 -7.277 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.588 -6.737 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.532 -5.557 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.897 -6.789 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.517 -5.198 1.772 1.00 0.00 H new ATOM 1021 N GLU A 69 8.265 -10.309 0.815 1.00 0.00 N ATOM 1022 CA GLU A 69 7.680 -11.651 0.776 1.00 0.00 C ATOM 1023 C GLU A 69 7.114 -12.058 2.137 1.00 0.00 C ATOM 1024 O GLU A 69 6.581 -13.156 2.297 1.00 0.00 O ATOM 1025 CB GLU A 69 8.718 -12.679 0.324 1.00 0.00 C ATOM 1026 CG GLU A 69 9.277 -12.412 -1.062 1.00 0.00 C ATOM 1027 CD GLU A 69 10.184 -13.527 -1.538 1.00 0.00 C ATOM 1028 OE1 GLU A 69 11.382 -13.518 -1.191 1.00 0.00 O ATOM 1029 OE2 GLU A 69 9.697 -14.420 -2.264 1.00 0.00 O ATOM 0 H GLU A 69 9.284 -10.290 0.856 1.00 0.00 H new ATOM 0 HA GLU A 69 6.861 -11.626 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.539 -12.693 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.265 -13.670 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.454 -12.290 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.831 -11.474 -1.054 1.00 0.00 H new ATOM 1036 N THR A 70 7.226 -11.171 3.112 1.00 0.00 N ATOM 1037 CA THR A 70 6.696 -11.436 4.441 1.00 0.00 C ATOM 1038 C THR A 70 5.277 -10.876 4.569 1.00 0.00 C ATOM 1039 O THR A 70 4.742 -10.737 5.672 1.00 0.00 O ATOM 1040 CB THR A 70 7.613 -10.831 5.532 1.00 0.00 C ATOM 1041 OG1 THR A 70 7.117 -11.149 6.839 1.00 0.00 O ATOM 1042 CG2 THR A 70 7.720 -9.316 5.382 1.00 0.00 C ATOM 0 H THR A 70 7.678 -10.262 3.009 1.00 0.00 H new ATOM 0 HA THR A 70 6.662 -12.516 4.585 1.00 0.00 H new ATOM 0 HB THR A 70 8.605 -11.265 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.138 -11.197 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.370 -8.918 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.137 -9.076 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.729 -8.870 5.473 1.00 0.00 H new ATOM 1050 N ALA A 71 4.670 -10.573 3.428 1.00 0.00 N ATOM 1051 CA ALA A 71 3.330 -10.004 3.410 1.00 0.00 C ATOM 1052 C ALA A 71 2.274 -11.047 3.715 1.00 0.00 C ATOM 1053 O ALA A 71 2.450 -12.244 3.460 1.00 0.00 O ATOM 1054 CB ALA A 71 3.052 -9.339 2.072 1.00 0.00 C ATOM 0 H ALA A 71 5.084 -10.712 2.506 1.00 0.00 H new ATOM 0 HA ALA A 71 3.282 -9.249 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.046 -8.919 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.777 -8.542 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.133 -10.078 1.275 1.00 0.00 H new ATOM 1060 N ILE A 72 1.174 -10.568 4.257 1.00 0.00 N ATOM 1061 CA ILE A 72 0.113 -11.420 4.715 1.00 0.00 C ATOM 1062 C ILE A 72 -1.184 -11.077 3.981 1.00 0.00 C ATOM 1063 O ILE A 72 -1.498 -9.905 3.772 1.00 0.00 O ATOM 1064 CB ILE A 72 -0.050 -11.267 6.239 1.00 0.00 C ATOM 1065 CG1 ILE A 72 1.143 -11.904 6.960 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -1.359 -11.876 6.722 1.00 0.00 C ATOM 1067 CD1 ILE A 72 1.101 -11.758 8.465 1.00 0.00 C ATOM 0 H ILE A 72 0.996 -9.572 4.390 1.00 0.00 H new ATOM 0 HA ILE A 72 0.357 -12.460 4.499 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.078 -10.203 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.183 -12.964 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.063 -11.454 6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.442 -11.751 7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.195 -11.376 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.378 -12.938 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.979 -12.234 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.094 -10.700 8.728 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.200 -12.234 8.852 1.00 0.00 H new ATOM 1079 N SER A 73 -1.920 -12.100 3.581 1.00 0.00 N ATOM 1080 CA SER A 73 -3.095 -11.907 2.746 1.00 0.00 C ATOM 1081 C SER A 73 -4.345 -11.672 3.590 1.00 0.00 C ATOM 1082 O SER A 73 -4.503 -12.298 4.639 1.00 0.00 O ATOM 1083 CB SER A 73 -3.286 -13.154 1.890 1.00 0.00 C ATOM 1084 OG SER A 73 -2.042 -13.596 1.372 1.00 0.00 O ATOM 0 H SER A 73 -1.726 -13.072 3.820 1.00 0.00 H new ATOM 0 HA SER A 73 -2.944 -11.027 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.740 -13.945 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.972 -12.938 1.071 1.00 0.00 H new ATOM 0 HG SER A 73 -2.181 -14.398 0.826 1.00 0.00 H new ATOM 1090 N ASP A 74 -5.213 -10.747 3.138 1.00 0.00 N ATOM 1091 CA ASP A 74 -6.548 -10.559 3.737 1.00 0.00 C ATOM 1092 C ASP A 74 -6.476 -9.911 5.118 1.00 0.00 C ATOM 1093 O ASP A 74 -7.495 -9.593 5.726 1.00 0.00 O ATOM 1094 CB ASP A 74 -7.288 -11.900 3.824 1.00 0.00 C ATOM 1095 CG ASP A 74 -8.756 -11.752 4.169 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -9.525 -11.285 3.302 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -9.154 -12.140 5.286 1.00 0.00 O ATOM 0 H ASP A 74 -5.014 -10.118 2.360 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.099 -9.881 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.196 -12.420 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.806 -12.525 4.576 1.00 0.00 H new ATOM 1102 N GLN A 75 -5.269 -9.698 5.605 1.00 0.00 N ATOM 1103 CA GLN A 75 -5.095 -9.131 6.925 1.00 0.00 C ATOM 1104 C GLN A 75 -4.490 -7.740 6.840 1.00 0.00 C ATOM 1105 O GLN A 75 -4.461 -7.111 5.766 1.00 0.00 O ATOM 1106 CB GLN A 75 -4.189 -10.026 7.778 1.00 0.00 C ATOM 1107 CG GLN A 75 -4.707 -11.443 8.005 1.00 0.00 C ATOM 1108 CD GLN A 75 -5.891 -11.521 8.956 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -6.789 -10.551 8.895 1.00 0.00 O flip ATOM 1110 NE2 GLN A 75 -6.017 -12.479 9.717 1.00 0.00 N flip ATOM 0 H GLN A 75 -4.402 -9.907 5.110 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.078 -9.063 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.211 -10.086 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.043 -9.550 8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.995 -11.872 7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.897 -12.057 8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.306 -13.210 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.833 -12.543 10.326 1.00 0.00 H new ATOM 1119 N GLN A 76 -4.029 -7.261 7.985 1.00 0.00 N ATOM 1120 CA GLN A 76 -3.304 -6.015 8.029 1.00 0.00 C ATOM 1121 C GLN A 76 -1.814 -6.312 8.037 1.00 0.00 C ATOM 1122 O GLN A 76 -1.353 -7.208 8.747 1.00 0.00 O ATOM 1123 CB GLN A 76 -3.705 -5.185 9.252 1.00 0.00 C ATOM 1124 CG GLN A 76 -3.342 -5.814 10.587 1.00 0.00 C ATOM 1125 CD GLN A 76 -3.752 -4.944 11.757 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -3.828 -3.724 11.637 1.00 0.00 O ATOM 1127 NE2 GLN A 76 -4.007 -5.560 12.898 1.00 0.00 N ATOM 0 H GLN A 76 -4.147 -7.719 8.889 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.551 -5.425 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.228 -4.207 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.782 -5.017 9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.826 -6.787 10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.267 -5.988 10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.933 -6.576 12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.278 -5.020 13.720 1.00 0.00 H new ATOM 1136 N LEU A 77 -1.071 -5.586 7.229 1.00 0.00 N ATOM 1137 CA LEU A 77 0.346 -5.829 7.115 1.00 0.00 C ATOM 1138 C LEU A 77 1.017 -4.484 6.957 1.00 0.00 C ATOM 1139 O LEU A 77 0.458 -3.590 6.321 1.00 0.00 O ATOM 1140 CB LEU A 77 0.627 -6.752 5.912 1.00 0.00 C ATOM 1141 CG LEU A 77 1.959 -7.522 5.932 1.00 0.00 C ATOM 1142 CD1 LEU A 77 3.125 -6.636 5.523 1.00 0.00 C ATOM 1143 CD2 LEU A 77 2.206 -8.125 7.307 1.00 0.00 C ATOM 0 H LEU A 77 -1.424 -4.828 6.646 1.00 0.00 H new ATOM 0 HA LEU A 77 0.737 -6.333 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.184 -7.476 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.596 -6.149 5.005 1.00 0.00 H new ATOM 0 HG LEU A 77 1.884 -8.328 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.048 -7.215 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.960 -6.261 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.203 -5.796 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.152 -8.666 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.246 -7.330 8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.397 -8.812 7.554 1.00 0.00 H new ATOM 1155 N LEU A 78 2.172 -4.310 7.564 1.00 0.00 N ATOM 1156 CA LEU A 78 2.812 -3.018 7.482 1.00 0.00 C ATOM 1157 C LEU A 78 3.699 -2.941 6.240 1.00 0.00 C ATOM 1158 O LEU A 78 4.450 -3.868 5.937 1.00 0.00 O ATOM 1159 CB LEU A 78 3.578 -2.666 8.788 1.00 0.00 C ATOM 1160 CG LEU A 78 4.848 -3.472 9.161 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.649 -4.974 9.027 1.00 0.00 C ATOM 1162 CD2 LEU A 78 6.057 -3.006 8.361 1.00 0.00 C ATOM 0 H LEU A 78 2.671 -5.019 8.101 1.00 0.00 H new ATOM 0 HA LEU A 78 2.037 -2.258 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.862 -1.615 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.875 -2.760 9.616 1.00 0.00 H new ATOM 0 HG LEU A 78 5.041 -3.273 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.570 -5.489 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.844 -5.295 9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.390 -5.216 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.930 -3.592 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.863 -3.140 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.244 -1.952 8.566 1.00 0.00 H new ATOM 1174 N LEU A 79 3.572 -1.854 5.500 1.00 0.00 N ATOM 1175 CA LEU A 79 4.309 -1.705 4.255 1.00 0.00 C ATOM 1176 C LEU A 79 5.261 -0.514 4.308 1.00 0.00 C ATOM 1177 O LEU A 79 4.931 0.550 4.856 1.00 0.00 O ATOM 1178 CB LEU A 79 3.350 -1.557 3.064 1.00 0.00 C ATOM 1179 CG LEU A 79 2.755 -2.860 2.507 1.00 0.00 C ATOM 1180 CD1 LEU A 79 3.852 -3.879 2.237 1.00 0.00 C ATOM 1181 CD2 LEU A 79 1.703 -3.436 3.442 1.00 0.00 C ATOM 0 H LEU A 79 2.970 -1.065 5.736 1.00 0.00 H new ATOM 0 HA LEU A 79 4.901 -2.610 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.529 -0.906 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.880 -1.050 2.258 1.00 0.00 H new ATOM 0 HG LEU A 79 2.264 -2.623 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.410 -4.794 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.554 -3.473 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.379 -4.101 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.303 -4.357 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.155 -3.650 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.896 -2.715 3.569 1.00 0.00 H new ATOM 1193 N PRO A 80 6.468 -0.693 3.751 1.00 0.00 N ATOM 1194 CA PRO A 80 7.464 0.357 3.668 1.00 0.00 C ATOM 1195 C PRO A 80 7.311 1.202 2.404 1.00 0.00 C ATOM 1196 O PRO A 80 7.358 0.690 1.267 1.00 0.00 O ATOM 1197 CB PRO A 80 8.779 -0.419 3.660 1.00 0.00 C ATOM 1198 CG PRO A 80 8.457 -1.738 3.035 1.00 0.00 C ATOM 1199 CD PRO A 80 6.966 -1.953 3.170 1.00 0.00 C ATOM 0 HA PRO A 80 7.386 1.074 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.544 0.109 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.166 -0.547 4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.752 -1.747 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.006 -2.540 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.504 -2.155 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.743 -2.804 3.814 1.00 0.00 H new ATOM 1207 N CYS A 81 7.093 2.493 2.613 1.00 0.00 N ATOM 1208 CA CYS A 81 6.999 3.442 1.523 1.00 0.00 C ATOM 1209 C CYS A 81 8.367 4.003 1.175 1.00 0.00 C ATOM 1210 O CYS A 81 9.043 4.600 2.017 1.00 0.00 O ATOM 1211 CB CYS A 81 6.073 4.599 1.880 1.00 0.00 C ATOM 1212 SG CYS A 81 6.207 5.990 0.715 1.00 0.00 S ATOM 0 H CYS A 81 6.978 2.906 3.539 1.00 0.00 H new ATOM 0 HA CYS A 81 6.593 2.906 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.043 4.243 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.306 4.949 2.886 1.00 0.00 H new ATOM 1217 N THR A 82 8.770 3.788 -0.059 1.00 0.00 N ATOM 1218 CA THR A 82 9.954 4.428 -0.584 1.00 0.00 C ATOM 1219 C THR A 82 9.525 5.661 -1.380 1.00 0.00 C ATOM 1220 O THR A 82 8.551 5.595 -2.136 1.00 0.00 O ATOM 1221 CB THR A 82 10.735 3.457 -1.487 1.00 0.00 C ATOM 1222 OG1 THR A 82 10.674 2.137 -0.929 1.00 0.00 O ATOM 1223 CG2 THR A 82 12.191 3.877 -1.615 1.00 0.00 C ATOM 0 H THR A 82 8.293 3.173 -0.718 1.00 0.00 H new ATOM 0 HA THR A 82 10.608 4.723 0.237 1.00 0.00 H new ATOM 0 HB THR A 82 10.282 3.472 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.169 1.516 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.718 3.172 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.245 4.875 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.655 3.885 -0.629 1.00 0.00 H new ATOM 1231 N PRO A 83 10.202 6.805 -1.188 1.00 0.00 N ATOM 1232 CA PRO A 83 9.856 8.050 -1.881 1.00 0.00 C ATOM 1233 C PRO A 83 10.022 7.948 -3.396 1.00 0.00 C ATOM 1234 O PRO A 83 10.832 7.162 -3.896 1.00 0.00 O ATOM 1235 CB PRO A 83 10.836 9.079 -1.305 1.00 0.00 C ATOM 1236 CG PRO A 83 11.954 8.276 -0.734 1.00 0.00 C ATOM 1237 CD PRO A 83 11.342 6.982 -0.274 1.00 0.00 C ATOM 0 HA PRO A 83 8.809 8.311 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.194 9.758 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.360 9.691 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.728 8.098 -1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.427 8.801 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.048 6.155 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.020 7.036 0.766 1.00 0.00 H new ATOM 1245 N GLN A 84 9.236 8.740 -4.113 1.00 0.00 N ATOM 1246 CA GLN A 84 9.306 8.784 -5.566 1.00 0.00 C ATOM 1247 C GLN A 84 10.689 9.223 -6.038 1.00 0.00 C ATOM 1248 O GLN A 84 11.204 10.261 -5.610 1.00 0.00 O ATOM 1249 CB GLN A 84 8.257 9.755 -6.106 1.00 0.00 C ATOM 1250 CG GLN A 84 8.357 9.988 -7.606 1.00 0.00 C ATOM 1251 CD GLN A 84 7.681 11.269 -8.050 1.00 0.00 C ATOM 1252 OE1 GLN A 84 7.664 12.269 -7.180 1.00 0.00 O flip ATOM 1253 NE2 GLN A 84 7.195 11.365 -9.175 1.00 0.00 N flip ATOM 0 H GLN A 84 8.538 9.364 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 84 9.113 7.780 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.264 9.371 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.359 10.710 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.408 10.019 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.907 9.145 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.229 10.571 -9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.758 12.238 -9.469 1.00 0.00 H new