USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 57 GLN : amide:sc= 0.779 K(o=-0.54,f=-1.9) USER MOD Set 1.2: A 62 CYS SG : rot -101:sc= -1.32 USER MOD Set 2.1: A 30 CYS SG : rot 177:sc= 1.58 USER MOD Set 2.2: A 79 CYS SG : rot 175:sc= 1.58 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 160:sc= -0.426 USER MOD Single : A 17 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.5) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -148:sc= -0.602 (180deg=-0.683) USER MOD Single : A 33 SER OG : rot -34:sc= 0.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= -0.043 (180deg=-0.0664) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.862 F(o=-1.8,f=-0.86) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.485 K(o=-0.49,f=-4.7!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -108:sc= -0.288 (180deg=-1.05) USER MOD Single : A 77 TYR OH : rot -17:sc= -0.244 USER MOD Single : A 81 CYS SG : rot 20:sc= -7.43! USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 62:sc= -0.315 USER MOD Single : A 87 SER OG : rot 130:sc= 0.00933 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 2.038 16.528 -1.536 1.00 0.00 N ATOM 81 CA ALA A 9 2.701 15.472 -0.781 1.00 0.00 C ATOM 82 C ALA A 9 3.584 14.621 -1.687 1.00 0.00 C ATOM 83 O ALA A 9 3.097 13.963 -2.607 1.00 0.00 O ATOM 84 CB ALA A 9 1.671 14.602 -0.076 1.00 0.00 C ATOM 0 HA ALA A 9 3.339 15.940 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.180 13.817 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.085 15.215 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.010 14.150 -0.815 1.00 0.00 H new ATOM 90 N LYS A 10 4.886 14.638 -1.422 1.00 0.00 N ATOM 91 CA LYS A 10 5.838 13.867 -2.213 1.00 0.00 C ATOM 92 C LYS A 10 6.289 12.621 -1.458 1.00 0.00 C ATOM 93 O LYS A 10 6.693 12.698 -0.297 1.00 0.00 O ATOM 94 CB LYS A 10 7.052 14.728 -2.568 1.00 0.00 C ATOM 95 CG LYS A 10 6.708 15.953 -3.397 1.00 0.00 C ATOM 96 CD LYS A 10 7.909 16.451 -4.183 1.00 0.00 C ATOM 97 CE LYS A 10 7.670 17.845 -4.743 1.00 0.00 C ATOM 98 NZ LYS A 10 8.946 18.584 -4.953 1.00 0.00 N ATOM 0 H LYS A 10 5.306 15.178 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 10 5.341 13.554 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.541 15.048 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.771 14.119 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.897 15.712 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.346 16.746 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.788 16.463 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.122 15.761 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.134 17.769 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.033 18.407 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.741 19.529 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.446 18.678 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.544 18.061 -5.625 1.00 0.00 H new ATOM 112 N PHE A 11 6.219 11.473 -2.124 1.00 0.00 N ATOM 113 CA PHE A 11 6.621 10.210 -1.516 1.00 0.00 C ATOM 114 C PHE A 11 8.043 10.297 -0.971 1.00 0.00 C ATOM 115 O PHE A 11 8.995 10.530 -1.717 1.00 0.00 O ATOM 116 CB PHE A 11 6.523 9.074 -2.537 1.00 0.00 C ATOM 117 CG PHE A 11 5.110 8.712 -2.897 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.466 9.343 -3.949 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.426 7.742 -2.183 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.166 9.012 -4.282 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.126 7.407 -2.511 1.00 0.00 C ATOM 122 CZ PHE A 11 2.496 8.042 -3.563 1.00 0.00 C ATOM 0 H PHE A 11 5.888 11.391 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 11 5.945 10.003 -0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.058 9.362 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.025 8.193 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.986 10.102 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.914 7.241 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.675 9.512 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.604 6.650 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.481 7.780 -3.823 1.00 0.00 H new ATOM 132 N THR A 12 8.182 10.109 0.338 1.00 0.00 N ATOM 133 CA THR A 12 9.486 10.167 0.985 1.00 0.00 C ATOM 134 C THR A 12 10.213 8.832 0.879 1.00 0.00 C ATOM 135 O THR A 12 11.426 8.790 0.677 1.00 0.00 O ATOM 136 CB THR A 12 9.359 10.554 2.471 1.00 0.00 C ATOM 137 OG1 THR A 12 8.513 9.619 3.150 1.00 0.00 O ATOM 138 CG2 THR A 12 8.794 11.958 2.619 1.00 0.00 C ATOM 0 H THR A 12 7.406 9.915 0.971 1.00 0.00 H new ATOM 0 HA THR A 12 10.062 10.933 0.466 1.00 0.00 H new ATOM 0 HB THR A 12 10.354 10.532 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.683 9.664 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.714 12.208 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.456 12.670 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.807 12.003 2.160 1.00 0.00 H new ATOM 146 N GLU A 13 9.463 7.743 1.016 1.00 0.00 N ATOM 147 CA GLU A 13 10.038 6.405 0.936 1.00 0.00 C ATOM 148 C GLU A 13 9.515 5.661 -0.289 1.00 0.00 C ATOM 149 O GLU A 13 10.193 4.794 -0.839 1.00 0.00 O ATOM 150 CB GLU A 13 9.718 5.611 2.204 1.00 0.00 C ATOM 151 CG GLU A 13 10.227 6.266 3.477 1.00 0.00 C ATOM 152 CD GLU A 13 11.638 5.839 3.830 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.397 5.479 2.905 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.984 5.862 5.029 1.00 0.00 O ATOM 0 H GLU A 13 8.457 7.761 1.183 1.00 0.00 H new ATOM 0 HA GLU A 13 11.119 6.507 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.638 5.482 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.153 4.615 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.198 7.349 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.559 6.016 4.301 1.00 0.00 H new ATOM 161 N GLY A 14 8.302 6.005 -0.710 1.00 0.00 N ATOM 162 CA GLY A 14 7.707 5.360 -1.866 1.00 0.00 C ATOM 163 C GLY A 14 7.454 3.883 -1.640 1.00 0.00 C ATOM 164 O GLY A 14 7.934 3.306 -0.663 1.00 0.00 O ATOM 0 H GLY A 14 7.721 6.719 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.766 5.853 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.364 5.485 -2.726 1.00 0.00 H new ATOM 168 N LEU A 15 6.698 3.269 -2.543 1.00 0.00 N ATOM 169 CA LEU A 15 6.381 1.849 -2.437 1.00 0.00 C ATOM 170 C LEU A 15 7.644 1.000 -2.530 1.00 0.00 C ATOM 171 O LEU A 15 8.755 1.527 -2.597 1.00 0.00 O ATOM 172 CB LEU A 15 5.397 1.442 -3.536 1.00 0.00 C ATOM 173 CG LEU A 15 3.941 1.857 -3.321 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.144 1.694 -4.606 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.316 1.044 -2.196 1.00 0.00 C ATOM 0 H LEU A 15 6.293 3.732 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 15 5.921 1.677 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.740 1.868 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.433 0.358 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 15 3.921 2.909 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.110 1.994 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.578 2.320 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.171 0.651 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.280 1.352 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.348 -0.015 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.872 1.212 -1.274 1.00 0.00 H new ATOM 187 N ARG A 16 7.467 -0.317 -2.536 1.00 0.00 N ATOM 188 CA ARG A 16 8.593 -1.239 -2.622 1.00 0.00 C ATOM 189 C ARG A 16 8.122 -2.638 -3.012 1.00 0.00 C ATOM 190 O ARG A 16 6.925 -2.922 -3.012 1.00 0.00 O ATOM 191 CB ARG A 16 9.338 -1.294 -1.287 1.00 0.00 C ATOM 192 CG ARG A 16 8.480 -1.779 -0.130 1.00 0.00 C ATOM 193 CD ARG A 16 9.253 -1.767 1.179 1.00 0.00 C ATOM 194 NE ARG A 16 8.496 -2.380 2.267 1.00 0.00 N ATOM 195 CZ ARG A 16 9.018 -2.670 3.454 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.292 -2.402 3.704 1.00 0.00 N ATOM 197 NH2 ARG A 16 8.265 -3.227 4.393 1.00 0.00 N ATOM 0 H ARG A 16 6.554 -0.770 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 16 9.271 -0.874 -3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.201 -1.952 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.721 -0.301 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.598 -1.145 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.127 -2.789 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.195 -2.299 1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.501 -0.739 1.444 1.00 0.00 H new ATOM 0 HE ARG A 16 7.512 -2.598 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.873 -1.972 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.691 -2.625 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.284 -3.433 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.667 -3.449 5.304 1.00 0.00 H new ATOM 211 N ASN A 17 9.073 -3.505 -3.344 1.00 0.00 N ATOM 212 CA ASN A 17 8.755 -4.874 -3.736 1.00 0.00 C ATOM 213 C ASN A 17 8.698 -5.790 -2.518 1.00 0.00 C ATOM 214 O ASN A 17 9.532 -5.694 -1.618 1.00 0.00 O ATOM 215 CB ASN A 17 9.793 -5.394 -4.732 1.00 0.00 C ATOM 216 CG ASN A 17 11.034 -5.933 -4.046 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.092 -7.105 -3.675 1.00 0.00 O ATOM 218 ND2 ASN A 17 12.033 -5.075 -3.873 1.00 0.00 N ATOM 0 H ASN A 17 10.069 -3.285 -3.350 1.00 0.00 H new ATOM 0 HA ASN A 17 7.774 -4.871 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.347 -6.181 -5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.077 -4.589 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.893 -5.379 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.940 -4.112 -4.197 1.00 0.00 H new ATOM 225 N GLU A 18 7.708 -6.677 -2.497 1.00 0.00 N ATOM 226 CA GLU A 18 7.543 -7.611 -1.389 1.00 0.00 C ATOM 227 C GLU A 18 6.984 -8.943 -1.879 1.00 0.00 C ATOM 228 O GLU A 18 6.644 -9.091 -3.052 1.00 0.00 O ATOM 229 CB GLU A 18 6.616 -7.016 -0.327 1.00 0.00 C ATOM 230 CG GLU A 18 5.199 -6.780 -0.819 1.00 0.00 C ATOM 231 CD GLU A 18 5.152 -5.958 -2.092 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.891 -4.954 -2.177 1.00 0.00 O ATOM 233 OE2 GLU A 18 4.378 -6.318 -3.004 1.00 0.00 O ATOM 0 H GLU A 18 7.009 -6.768 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 18 8.524 -7.789 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.586 -7.685 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.034 -6.070 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.714 -7.741 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.629 -6.272 -0.042 1.00 0.00 H new ATOM 240 N GLU A 19 6.893 -9.910 -0.971 1.00 0.00 N ATOM 241 CA GLU A 19 6.376 -11.230 -1.311 1.00 0.00 C ATOM 242 C GLU A 19 5.433 -11.742 -0.226 1.00 0.00 C ATOM 243 O GLU A 19 5.366 -11.181 0.868 1.00 0.00 O ATOM 244 CB GLU A 19 7.529 -12.218 -1.507 1.00 0.00 C ATOM 245 CG GLU A 19 8.148 -12.697 -0.205 1.00 0.00 C ATOM 246 CD GLU A 19 9.047 -13.903 -0.396 1.00 0.00 C ATOM 247 OE1 GLU A 19 8.528 -15.038 -0.386 1.00 0.00 O ATOM 248 OE2 GLU A 19 10.271 -13.711 -0.557 1.00 0.00 O ATOM 0 H GLU A 19 7.170 -9.804 0.005 1.00 0.00 H new ATOM 0 HA GLU A 19 5.817 -11.144 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.166 -13.081 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.301 -11.746 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.724 -11.885 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.355 -12.948 0.500 1.00 0.00 H new ATOM 255 N ALA A 20 4.706 -12.810 -0.537 1.00 0.00 N ATOM 256 CA ALA A 20 3.768 -13.398 0.411 1.00 0.00 C ATOM 257 C ALA A 20 3.324 -14.784 -0.045 1.00 0.00 C ATOM 258 O ALA A 20 3.808 -15.303 -1.052 1.00 0.00 O ATOM 259 CB ALA A 20 2.562 -12.489 0.593 1.00 0.00 C ATOM 0 H ALA A 20 4.749 -13.286 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 20 4.277 -13.505 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.870 -12.941 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.890 -11.521 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.061 -12.353 -0.365 1.00 0.00 H new ATOM 265 N VAL A 21 2.400 -15.380 0.702 1.00 0.00 N ATOM 266 CA VAL A 21 1.891 -16.706 0.375 1.00 0.00 C ATOM 267 C VAL A 21 0.409 -16.653 0.020 1.00 0.00 C ATOM 268 O VAL A 21 -0.358 -15.907 0.628 1.00 0.00 O ATOM 269 CB VAL A 21 2.093 -17.690 1.543 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.535 -19.060 1.190 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.566 -17.783 1.911 1.00 0.00 C ATOM 0 H VAL A 21 1.989 -14.965 1.538 1.00 0.00 H new ATOM 0 HA VAL A 21 2.457 -17.058 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 21 1.548 -17.316 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.687 -19.741 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.469 -18.975 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.049 -19.446 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.691 -18.482 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.135 -18.134 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.929 -16.800 2.209 1.00 0.00 H new ATOM 281 N GLU A 22 0.013 -17.451 -0.967 1.00 0.00 N ATOM 282 CA GLU A 22 -1.378 -17.494 -1.402 1.00 0.00 C ATOM 283 C GLU A 22 -2.323 -17.505 -0.204 1.00 0.00 C ATOM 284 O GLU A 22 -2.018 -18.089 0.835 1.00 0.00 O ATOM 285 CB GLU A 22 -1.625 -18.728 -2.273 1.00 0.00 C ATOM 286 CG GLU A 22 -1.122 -18.578 -3.699 1.00 0.00 C ATOM 287 CD GLU A 22 -1.564 -19.717 -4.596 1.00 0.00 C ATOM 288 OE1 GLU A 22 -2.707 -20.192 -4.434 1.00 0.00 O ATOM 289 OE2 GLU A 22 -0.765 -20.135 -5.461 1.00 0.00 O ATOM 0 H GLU A 22 0.635 -18.076 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.576 -16.598 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.139 -19.589 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.694 -18.939 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.483 -17.635 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.033 -18.527 -3.693 1.00 0.00 H new ATOM 296 N GLY A 23 -3.472 -16.854 -0.358 1.00 0.00 N ATOM 297 CA GLY A 23 -4.444 -16.800 0.719 1.00 0.00 C ATOM 298 C GLY A 23 -4.109 -15.742 1.750 1.00 0.00 C ATOM 299 O GLY A 23 -4.990 -15.023 2.221 1.00 0.00 O ATOM 0 H GLY A 23 -3.747 -16.363 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.431 -16.598 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.496 -17.774 1.206 1.00 0.00 H new ATOM 303 N ALA A 24 -2.831 -15.645 2.104 1.00 0.00 N ATOM 304 CA ALA A 24 -2.382 -14.667 3.086 1.00 0.00 C ATOM 305 C ALA A 24 -2.818 -13.258 2.697 1.00 0.00 C ATOM 306 O ALA A 24 -3.539 -13.068 1.717 1.00 0.00 O ATOM 307 CB ALA A 24 -0.869 -14.729 3.239 1.00 0.00 C ATOM 0 H ALA A 24 -2.089 -16.233 1.725 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.844 -14.911 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.547 -13.993 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.577 -15.726 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.397 -14.513 2.280 1.00 0.00 H new ATOM 313 N THR A 25 -2.378 -12.272 3.472 1.00 0.00 N ATOM 314 CA THR A 25 -2.725 -10.881 3.210 1.00 0.00 C ATOM 315 C THR A 25 -1.478 -10.042 2.955 1.00 0.00 C ATOM 316 O THR A 25 -0.700 -9.775 3.870 1.00 0.00 O ATOM 317 CB THR A 25 -3.511 -10.267 4.384 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.645 -11.085 4.695 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.974 -8.858 4.047 1.00 0.00 C ATOM 0 H THR A 25 -1.780 -12.411 4.287 1.00 0.00 H new ATOM 0 HA THR A 25 -3.353 -10.875 2.319 1.00 0.00 H new ATOM 0 HB THR A 25 -2.850 -10.218 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.139 -10.689 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.527 -8.445 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.108 -8.230 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.620 -8.887 3.170 1.00 0.00 H new ATOM 327 N ALA A 26 -1.295 -9.628 1.705 1.00 0.00 N ATOM 328 CA ALA A 26 -0.143 -8.817 1.330 1.00 0.00 C ATOM 329 C ALA A 26 0.021 -7.629 2.272 1.00 0.00 C ATOM 330 O ALA A 26 -0.798 -7.415 3.165 1.00 0.00 O ATOM 331 CB ALA A 26 -0.281 -8.338 -0.107 1.00 0.00 C ATOM 0 H ALA A 26 -1.930 -9.841 0.935 1.00 0.00 H new ATOM 0 HA ALA A 26 0.750 -9.437 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.586 -7.734 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.342 -9.199 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.186 -7.738 -0.205 1.00 0.00 H new ATOM 337 N MET A 27 1.086 -6.861 2.067 1.00 0.00 N ATOM 338 CA MET A 27 1.357 -5.694 2.899 1.00 0.00 C ATOM 339 C MET A 27 2.148 -4.645 2.123 1.00 0.00 C ATOM 340 O MET A 27 3.330 -4.834 1.833 1.00 0.00 O ATOM 341 CB MET A 27 2.127 -6.104 4.156 1.00 0.00 C ATOM 342 CG MET A 27 2.588 -4.926 4.998 1.00 0.00 C ATOM 343 SD MET A 27 1.313 -4.343 6.133 1.00 0.00 S ATOM 344 CE MET A 27 0.633 -2.972 5.202 1.00 0.00 C ATOM 0 H MET A 27 1.775 -7.025 1.333 1.00 0.00 H new ATOM 0 HA MET A 27 0.402 -5.259 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.494 -6.750 4.765 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.996 -6.693 3.864 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.471 -5.215 5.567 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.885 -4.109 4.341 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.291 -2.199 5.890 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.401 -2.561 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.208 -3.321 4.602 1.00 0.00 H new ATOM 354 N LEU A 28 1.489 -3.541 1.790 1.00 0.00 N ATOM 355 CA LEU A 28 2.132 -2.461 1.048 1.00 0.00 C ATOM 356 C LEU A 28 1.889 -1.116 1.724 1.00 0.00 C ATOM 357 O LEU A 28 0.746 -0.695 1.898 1.00 0.00 O ATOM 358 CB LEU A 28 1.610 -2.424 -0.390 1.00 0.00 C ATOM 359 CG LEU A 28 2.028 -3.590 -1.286 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.036 -3.772 -2.424 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.432 -3.368 -1.830 1.00 0.00 C ATOM 0 H LEU A 28 0.511 -3.370 2.022 1.00 0.00 H new ATOM 0 HA LEU A 28 3.205 -2.651 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.521 -2.388 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.947 -1.497 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 28 2.032 -4.500 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.350 -4.606 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.047 -3.978 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.999 -2.862 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.713 -4.208 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.455 -2.448 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.135 -3.289 -1.001 1.00 0.00 H new ATOM 373 N TRP A 29 2.972 -0.446 2.100 1.00 0.00 N ATOM 374 CA TRP A 29 2.877 0.854 2.755 1.00 0.00 C ATOM 375 C TRP A 29 3.796 1.870 2.086 1.00 0.00 C ATOM 376 O TRP A 29 4.749 1.500 1.399 1.00 0.00 O ATOM 377 CB TRP A 29 3.230 0.728 4.238 1.00 0.00 C ATOM 378 CG TRP A 29 4.689 0.489 4.483 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.292 -0.709 4.740 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.729 1.474 4.495 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.643 -0.528 4.912 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.937 0.802 4.765 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.757 2.858 4.302 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.157 1.467 4.848 1.00 0.00 C ATOM 385 CZ3 TRP A 29 6.969 3.517 4.384 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.155 2.822 4.655 1.00 0.00 C ATOM 0 H TRP A 29 3.926 -0.781 1.963 1.00 0.00 H new ATOM 0 HA TRP A 29 1.849 1.205 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.926 1.638 4.755 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.657 -0.091 4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.782 -1.659 4.799 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.318 -1.265 5.116 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.848 3.402 4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.072 0.933 5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.003 4.586 4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.086 3.366 4.713 1.00 0.00 H new ATOM 397 N CYS A 30 3.504 3.150 2.289 1.00 0.00 N ATOM 398 CA CYS A 30 4.305 4.219 1.704 1.00 0.00 C ATOM 399 C CYS A 30 4.137 5.516 2.489 1.00 0.00 C ATOM 400 O CYS A 30 3.029 5.873 2.886 1.00 0.00 O ATOM 401 CB CYS A 30 3.910 4.438 0.243 1.00 0.00 C ATOM 402 SG CYS A 30 2.125 4.478 -0.042 1.00 0.00 S ATOM 0 H CYS A 30 2.719 3.473 2.854 1.00 0.00 H new ATOM 0 HA CYS A 30 5.353 3.922 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.343 5.377 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.346 3.644 -0.363 1.00 0.00 H new ATOM 0 HG CYS A 30 1.891 4.739 -1.294 1.00 0.00 H new ATOM 408 N GLU A 31 5.246 6.216 2.709 1.00 0.00 N ATOM 409 CA GLU A 31 5.221 7.472 3.450 1.00 0.00 C ATOM 410 C GLU A 31 5.101 8.660 2.500 1.00 0.00 C ATOM 411 O GLU A 31 5.325 8.533 1.296 1.00 0.00 O ATOM 412 CB GLU A 31 6.484 7.612 4.302 1.00 0.00 C ATOM 413 CG GLU A 31 6.342 7.031 5.699 1.00 0.00 C ATOM 414 CD GLU A 31 7.558 7.296 6.567 1.00 0.00 C ATOM 415 OE1 GLU A 31 7.930 8.478 6.720 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.136 6.322 7.092 1.00 0.00 O ATOM 0 H GLU A 31 6.172 5.935 2.385 1.00 0.00 H new ATOM 0 HA GLU A 31 4.349 7.462 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.312 7.117 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.744 8.668 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.459 7.456 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.179 5.956 5.627 1.00 0.00 H new ATOM 423 N LEU A 32 4.745 9.816 3.051 1.00 0.00 N ATOM 424 CA LEU A 32 4.593 11.028 2.254 1.00 0.00 C ATOM 425 C LEU A 32 5.071 12.252 3.029 1.00 0.00 C ATOM 426 O LEU A 32 5.148 12.230 4.257 1.00 0.00 O ATOM 427 CB LEU A 32 3.132 11.211 1.840 1.00 0.00 C ATOM 428 CG LEU A 32 2.423 9.963 1.313 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.915 10.104 1.461 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.797 9.711 -0.140 1.00 0.00 C ATOM 0 H LEU A 32 4.556 9.939 4.046 1.00 0.00 H new ATOM 0 HA LEU A 32 5.207 10.924 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.576 11.585 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.087 11.982 1.071 1.00 0.00 H new ATOM 0 HG LEU A 32 2.747 9.107 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.427 9.207 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.663 10.236 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.573 10.971 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.283 8.819 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.502 10.568 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.874 9.565 -0.218 1.00 0.00 H new ATOM 442 N SER A 33 5.389 13.319 2.303 1.00 0.00 N ATOM 443 CA SER A 33 5.861 14.552 2.922 1.00 0.00 C ATOM 444 C SER A 33 4.785 15.154 3.821 1.00 0.00 C ATOM 445 O SER A 33 5.041 16.099 4.568 1.00 0.00 O ATOM 446 CB SER A 33 6.269 15.563 1.848 1.00 0.00 C ATOM 447 OG SER A 33 7.010 16.632 2.410 1.00 0.00 O ATOM 0 H SER A 33 5.328 13.354 1.285 1.00 0.00 H new ATOM 0 HA SER A 33 6.730 14.313 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.865 15.065 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.379 15.953 1.354 1.00 0.00 H new ATOM 0 HG SER A 33 6.682 16.817 3.315 1.00 0.00 H new ATOM 453 N LYS A 34 3.580 14.601 3.744 1.00 0.00 N ATOM 454 CA LYS A 34 2.464 15.080 4.550 1.00 0.00 C ATOM 455 C LYS A 34 1.238 14.191 4.367 1.00 0.00 C ATOM 456 O LYS A 34 1.123 13.474 3.373 1.00 0.00 O ATOM 457 CB LYS A 34 2.120 16.524 4.176 1.00 0.00 C ATOM 458 CG LYS A 34 1.933 16.737 2.684 1.00 0.00 C ATOM 459 CD LYS A 34 1.846 18.214 2.338 1.00 0.00 C ATOM 460 CE LYS A 34 0.982 18.448 1.108 1.00 0.00 C ATOM 461 NZ LYS A 34 0.420 19.827 1.080 1.00 0.00 N ATOM 0 H LYS A 34 3.351 13.819 3.130 1.00 0.00 H new ATOM 0 HA LYS A 34 2.764 15.044 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.207 16.817 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.913 17.182 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.765 16.284 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.026 16.231 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.433 18.763 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.847 18.607 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.576 18.279 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.168 17.723 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.163 19.947 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.167 19.980 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.197 20.518 1.069 1.00 0.00 H new ATOM 475 N VAL A 35 0.325 14.243 5.331 1.00 0.00 N ATOM 476 CA VAL A 35 -0.893 13.444 5.274 1.00 0.00 C ATOM 477 C VAL A 35 -1.777 13.871 4.108 1.00 0.00 C ATOM 478 O VAL A 35 -2.178 15.031 4.012 1.00 0.00 O ATOM 479 CB VAL A 35 -1.699 13.556 6.582 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.821 12.528 6.608 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.785 13.390 7.787 1.00 0.00 C ATOM 0 H VAL A 35 0.406 14.830 6.161 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.585 12.408 5.132 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.147 14.549 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.379 12.622 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.490 12.699 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.398 11.526 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.371 13.472 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.307 12.411 7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.021 14.168 7.774 1.00 0.00 H new ATOM 491 N ALA A 36 -2.076 12.926 3.223 1.00 0.00 N ATOM 492 CA ALA A 36 -2.915 13.204 2.063 1.00 0.00 C ATOM 493 C ALA A 36 -3.676 11.958 1.625 1.00 0.00 C ATOM 494 O ALA A 36 -3.270 10.827 1.893 1.00 0.00 O ATOM 495 CB ALA A 36 -2.069 13.738 0.916 1.00 0.00 C ATOM 0 H ALA A 36 -1.750 11.962 3.287 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.644 13.963 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.708 13.941 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.575 14.659 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.318 12.997 0.642 1.00 0.00 H new ATOM 501 N PRO A 37 -4.808 12.166 0.936 1.00 0.00 N ATOM 502 CA PRO A 37 -5.651 11.071 0.447 1.00 0.00 C ATOM 503 C PRO A 37 -4.989 10.293 -0.685 1.00 0.00 C ATOM 504 O PRO A 37 -4.899 10.776 -1.814 1.00 0.00 O ATOM 505 CB PRO A 37 -6.906 11.787 -0.058 1.00 0.00 C ATOM 506 CG PRO A 37 -6.446 13.163 -0.398 1.00 0.00 C ATOM 507 CD PRO A 37 -5.353 13.488 0.582 1.00 0.00 C ATOM 0 HA PRO A 37 -5.850 10.331 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.326 11.283 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.684 11.807 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.078 13.209 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.265 13.878 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.593 14.130 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.740 14.011 1.457 1.00 0.00 H new ATOM 515 N VAL A 38 -4.529 9.084 -0.377 1.00 0.00 N ATOM 516 CA VAL A 38 -3.878 8.238 -1.369 1.00 0.00 C ATOM 517 C VAL A 38 -4.889 7.347 -2.081 1.00 0.00 C ATOM 518 O VAL A 38 -5.968 7.075 -1.556 1.00 0.00 O ATOM 519 CB VAL A 38 -2.793 7.353 -0.727 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.661 8.208 -0.179 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.394 6.484 0.368 1.00 0.00 C ATOM 0 H VAL A 38 -4.596 8.669 0.552 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.411 8.904 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.382 6.698 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.904 7.565 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.214 8.783 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.053 8.890 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.614 5.865 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.833 7.120 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.166 5.844 -0.058 1.00 0.00 H new ATOM 531 N GLU A 39 -4.532 6.896 -3.279 1.00 0.00 N ATOM 532 CA GLU A 39 -5.410 6.035 -4.064 1.00 0.00 C ATOM 533 C GLU A 39 -4.634 4.864 -4.658 1.00 0.00 C ATOM 534 O GLU A 39 -3.902 5.022 -5.635 1.00 0.00 O ATOM 535 CB GLU A 39 -6.081 6.837 -5.181 1.00 0.00 C ATOM 536 CG GLU A 39 -6.734 8.122 -4.701 1.00 0.00 C ATOM 537 CD GLU A 39 -7.857 8.581 -5.611 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.702 8.471 -6.845 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.889 9.051 -5.089 1.00 0.00 O ATOM 0 H GLU A 39 -3.642 7.112 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.178 5.639 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.337 7.079 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.835 6.214 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.125 7.972 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.980 8.906 -4.637 1.00 0.00 H new ATOM 546 N TRP A 40 -4.801 3.689 -4.062 1.00 0.00 N ATOM 547 CA TRP A 40 -4.115 2.490 -4.532 1.00 0.00 C ATOM 548 C TRP A 40 -4.734 1.982 -5.830 1.00 0.00 C ATOM 549 O TRP A 40 -5.957 1.926 -5.964 1.00 0.00 O ATOM 550 CB TRP A 40 -4.169 1.395 -3.465 1.00 0.00 C ATOM 551 CG TRP A 40 -3.680 1.849 -2.123 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.360 2.613 -1.218 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.404 1.570 -1.537 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.584 2.825 -0.104 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.379 2.195 -0.275 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.281 0.851 -1.954 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.275 2.122 0.570 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.185 0.780 -1.115 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.189 1.412 0.136 1.00 0.00 C ATOM 0 H TRP A 40 -5.405 3.540 -3.253 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.074 2.749 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.196 1.041 -3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.569 0.547 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.361 2.995 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.860 3.364 0.717 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.270 0.359 -2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.276 2.609 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.689 0.228 -1.429 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.682 1.337 0.770 1.00 0.00 H new ATOM 570 N ARG A 41 -3.884 1.614 -6.782 1.00 0.00 N ATOM 571 CA ARG A 41 -4.348 1.113 -8.070 1.00 0.00 C ATOM 572 C ARG A 41 -3.517 -0.086 -8.518 1.00 0.00 C ATOM 573 O ARG A 41 -2.352 -0.222 -8.144 1.00 0.00 O ATOM 574 CB ARG A 41 -4.281 2.217 -9.126 1.00 0.00 C ATOM 575 CG ARG A 41 -5.423 3.216 -9.035 1.00 0.00 C ATOM 576 CD ARG A 41 -5.244 4.358 -10.023 1.00 0.00 C ATOM 577 NE ARG A 41 -5.827 4.052 -11.326 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.615 4.781 -12.416 1.00 0.00 C ATOM 579 NH1 ARG A 41 -4.839 5.854 -12.359 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.181 4.438 -13.566 1.00 0.00 N ATOM 0 H ARG A 41 -2.869 1.653 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.384 0.793 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.335 2.749 -9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.286 1.762 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.368 2.709 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.479 3.615 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.707 5.260 -9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.182 4.571 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.430 3.233 -11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.403 6.122 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.678 6.412 -13.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.780 3.614 -13.614 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.017 4.999 -14.402 1.00 0.00 H new ATOM 594 N LYS A 42 -4.123 -0.953 -9.322 1.00 0.00 N ATOM 595 CA LYS A 42 -3.441 -2.139 -9.823 1.00 0.00 C ATOM 596 C LYS A 42 -3.589 -2.254 -11.337 1.00 0.00 C ATOM 597 O LYS A 42 -4.507 -2.907 -11.832 1.00 0.00 O ATOM 598 CB LYS A 42 -3.996 -3.396 -9.148 1.00 0.00 C ATOM 599 CG LYS A 42 -3.176 -4.645 -9.419 1.00 0.00 C ATOM 600 CD LYS A 42 -3.758 -5.858 -8.713 1.00 0.00 C ATOM 601 CE LYS A 42 -3.103 -7.146 -9.187 1.00 0.00 C ATOM 602 NZ LYS A 42 -4.002 -8.321 -9.016 1.00 0.00 N ATOM 0 H LYS A 42 -5.087 -0.856 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.381 -2.045 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.044 -3.229 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.018 -3.561 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.138 -4.831 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.150 -4.487 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.622 -5.754 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.832 -5.906 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.828 -7.049 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.180 -7.311 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.501 -9.186 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.285 -8.399 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.849 -8.199 -9.607 1.00 0.00 H new ATOM 616 N GLY A 43 -2.679 -1.617 -12.066 1.00 0.00 N ATOM 617 CA GLY A 43 -2.727 -1.661 -13.516 1.00 0.00 C ATOM 618 C GLY A 43 -4.099 -1.323 -14.062 1.00 0.00 C ATOM 619 O GLY A 43 -4.623 -0.228 -13.850 1.00 0.00 O ATOM 0 H GLY A 43 -1.909 -1.071 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.996 -0.962 -13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.439 -2.656 -13.856 1.00 0.00 H new ATOM 623 N PRO A 44 -4.705 -2.276 -14.785 1.00 0.00 N ATOM 624 CA PRO A 44 -6.033 -2.096 -15.379 1.00 0.00 C ATOM 625 C PRO A 44 -7.137 -2.054 -14.328 1.00 0.00 C ATOM 626 O PRO A 44 -8.256 -1.624 -14.607 1.00 0.00 O ATOM 627 CB PRO A 44 -6.192 -3.329 -16.273 1.00 0.00 C ATOM 628 CG PRO A 44 -5.304 -4.357 -15.662 1.00 0.00 C ATOM 629 CD PRO A 44 -4.140 -3.604 -15.078 1.00 0.00 C ATOM 0 HA PRO A 44 -6.115 -1.151 -15.915 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.228 -3.667 -16.301 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.899 -3.113 -17.301 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.831 -4.920 -14.891 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.968 -5.076 -16.409 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.760 -4.087 -14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.309 -3.541 -15.781 1.00 0.00 H new ATOM 637 N GLU A 45 -6.815 -2.504 -13.119 1.00 0.00 N ATOM 638 CA GLU A 45 -7.781 -2.518 -12.027 1.00 0.00 C ATOM 639 C GLU A 45 -7.715 -1.221 -11.226 1.00 0.00 C ATOM 640 O GLU A 45 -6.905 -0.341 -11.515 1.00 0.00 O ATOM 641 CB GLU A 45 -7.527 -3.713 -11.107 1.00 0.00 C ATOM 642 CG GLU A 45 -8.265 -4.973 -11.527 1.00 0.00 C ATOM 643 CD GLU A 45 -8.229 -6.053 -10.463 1.00 0.00 C ATOM 644 OE1 GLU A 45 -8.486 -5.732 -9.284 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.942 -7.218 -10.809 1.00 0.00 O ATOM 0 H GLU A 45 -5.893 -2.863 -12.871 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.778 -2.607 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.457 -3.920 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.825 -3.449 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.302 -4.724 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.824 -5.359 -12.446 1.00 0.00 H new ATOM 652 N ASN A 46 -8.573 -1.111 -10.217 1.00 0.00 N ATOM 653 CA ASN A 46 -8.613 0.078 -9.373 1.00 0.00 C ATOM 654 C ASN A 46 -8.929 -0.291 -7.927 1.00 0.00 C ATOM 655 O ASN A 46 -10.062 -0.645 -7.599 1.00 0.00 O ATOM 656 CB ASN A 46 -9.656 1.066 -9.899 1.00 0.00 C ATOM 657 CG ASN A 46 -9.625 1.191 -11.410 1.00 0.00 C ATOM 658 OD1 ASN A 46 -10.161 0.189 -12.097 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -9.125 2.176 -11.953 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.250 -1.831 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.630 0.547 -9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.649 0.744 -9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.482 2.045 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.724 2.923 -11.385 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.111 2.245 -12.971 1.00 0.00 H new ATOM 666 N LEU A 47 -7.920 -0.205 -7.067 1.00 0.00 N ATOM 667 CA LEU A 47 -8.090 -0.530 -5.655 1.00 0.00 C ATOM 668 C LEU A 47 -8.643 0.665 -4.884 1.00 0.00 C ATOM 669 O LEU A 47 -8.649 1.790 -5.385 1.00 0.00 O ATOM 670 CB LEU A 47 -6.756 -0.969 -5.048 1.00 0.00 C ATOM 671 CG LEU A 47 -5.823 -1.751 -5.974 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.514 -2.069 -5.267 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.497 -3.028 -6.454 1.00 0.00 C ATOM 0 H LEU A 47 -6.977 0.087 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.804 -1.350 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.229 -0.081 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.963 -1.582 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.601 -1.132 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.862 -2.626 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.024 -1.141 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.716 -2.669 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.819 -3.572 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.748 -3.651 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.407 -2.776 -6.999 1.00 0.00 H new ATOM 685 N ARG A 48 -9.104 0.413 -3.663 1.00 0.00 N ATOM 686 CA ARG A 48 -9.658 1.468 -2.823 1.00 0.00 C ATOM 687 C ARG A 48 -9.993 0.937 -1.433 1.00 0.00 C ATOM 688 O ARG A 48 -10.159 -0.268 -1.241 1.00 0.00 O ATOM 689 CB ARG A 48 -10.911 2.060 -3.471 1.00 0.00 C ATOM 690 CG ARG A 48 -12.031 1.050 -3.663 1.00 0.00 C ATOM 691 CD ARG A 48 -13.147 1.614 -4.528 1.00 0.00 C ATOM 692 NE ARG A 48 -14.292 0.710 -4.604 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.347 -0.339 -5.417 1.00 0.00 C ATOM 694 NH1 ARG A 48 -13.328 -0.614 -6.220 1.00 0.00 N ATOM 695 NH2 ARG A 48 -15.423 -1.115 -5.429 1.00 0.00 N ATOM 0 H ARG A 48 -9.105 -0.512 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.906 2.250 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.275 2.881 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.644 2.483 -4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.633 0.147 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.433 0.761 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.469 2.574 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.767 1.803 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.093 0.894 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.499 -0.019 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.373 -1.420 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.209 -0.906 -4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.464 -1.920 -6.054 1.00 0.00 H new ATOM 709 N ASP A 49 -10.090 1.843 -0.466 1.00 0.00 N ATOM 710 CA ASP A 49 -10.405 1.465 0.907 1.00 0.00 C ATOM 711 C ASP A 49 -11.812 0.883 1.000 1.00 0.00 C ATOM 712 O ASP A 49 -12.802 1.604 0.892 1.00 0.00 O ATOM 713 CB ASP A 49 -10.279 2.676 1.833 1.00 0.00 C ATOM 714 CG ASP A 49 -10.918 3.921 1.249 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.831 3.781 0.409 1.00 0.00 O ATOM 716 OD2 ASP A 49 -10.506 5.035 1.634 1.00 0.00 O ATOM 0 H ASP A 49 -9.955 2.844 -0.607 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.693 0.701 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.746 2.447 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.225 2.871 2.030 1.00 0.00 H new ATOM 721 N GLY A 50 -11.892 -0.429 1.202 1.00 0.00 N ATOM 722 CA GLY A 50 -13.181 -1.087 1.306 1.00 0.00 C ATOM 723 C GLY A 50 -13.113 -2.374 2.104 1.00 0.00 C ATOM 724 O GLY A 50 -12.332 -2.486 3.048 1.00 0.00 O ATOM 0 H GLY A 50 -11.087 -1.048 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.894 -0.410 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.557 -1.303 0.306 1.00 0.00 H new ATOM 728 N ASP A 51 -13.934 -3.347 1.725 1.00 0.00 N ATOM 729 CA ASP A 51 -13.964 -4.633 2.412 1.00 0.00 C ATOM 730 C ASP A 51 -12.836 -5.536 1.925 1.00 0.00 C ATOM 731 O ASP A 51 -11.880 -5.800 2.654 1.00 0.00 O ATOM 732 CB ASP A 51 -15.314 -5.319 2.195 1.00 0.00 C ATOM 733 CG ASP A 51 -15.942 -4.953 0.865 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.477 -3.831 0.751 1.00 0.00 O ATOM 735 OD2 ASP A 51 -15.901 -5.789 -0.062 1.00 0.00 O ATOM 0 H ASP A 51 -14.588 -3.270 0.946 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.824 -4.451 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.181 -6.400 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.993 -5.043 3.002 1.00 0.00 H new ATOM 740 N ARG A 52 -12.954 -6.008 0.688 1.00 0.00 N ATOM 741 CA ARG A 52 -11.945 -6.884 0.105 1.00 0.00 C ATOM 742 C ARG A 52 -10.553 -6.275 0.240 1.00 0.00 C ATOM 743 O ARG A 52 -9.547 -6.983 0.187 1.00 0.00 O ATOM 744 CB ARG A 52 -12.258 -7.146 -1.370 1.00 0.00 C ATOM 745 CG ARG A 52 -12.560 -5.885 -2.162 1.00 0.00 C ATOM 746 CD ARG A 52 -12.929 -6.206 -3.602 1.00 0.00 C ATOM 747 NE ARG A 52 -11.888 -6.977 -4.275 1.00 0.00 N ATOM 748 CZ ARG A 52 -11.743 -7.021 -5.595 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.568 -6.341 -6.379 1.00 0.00 N ATOM 750 NH2 ARG A 52 -10.770 -7.746 -6.132 1.00 0.00 N ATOM 0 H ARG A 52 -13.738 -5.798 0.070 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.963 -7.829 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.411 -7.658 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.112 -7.820 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.378 -5.344 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.691 -5.227 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.864 -6.766 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.103 -5.278 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.236 -7.511 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.316 -5.782 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.454 -6.377 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.133 -8.270 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.659 -7.780 -7.145 1.00 0.00 H new ATOM 764 N TYR A 53 -10.503 -4.959 0.413 1.00 0.00 N ATOM 765 CA TYR A 53 -9.234 -4.254 0.553 1.00 0.00 C ATOM 766 C TYR A 53 -9.187 -3.471 1.862 1.00 0.00 C ATOM 767 O TYR A 53 -9.830 -2.430 1.998 1.00 0.00 O ATOM 768 CB TYR A 53 -9.021 -3.306 -0.629 1.00 0.00 C ATOM 769 CG TYR A 53 -8.801 -4.019 -1.944 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.622 -4.709 -2.195 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.773 -4.001 -2.937 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.417 -5.361 -3.395 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.577 -4.651 -4.140 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.397 -5.330 -4.364 1.00 0.00 C ATOM 775 OH TYR A 53 -8.198 -5.978 -5.562 1.00 0.00 O ATOM 0 H TYR A 53 -11.326 -4.359 0.460 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.435 -4.995 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.888 -2.652 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.161 -2.669 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.852 -4.736 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.697 -3.470 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.494 -5.892 -3.573 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.343 -4.628 -4.901 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.985 -5.859 -6.133 1.00 0.00 H new ATOM 785 N ILE A 54 -8.421 -3.981 2.820 1.00 0.00 N ATOM 786 CA ILE A 54 -8.288 -3.330 4.118 1.00 0.00 C ATOM 787 C ILE A 54 -7.253 -2.211 4.068 1.00 0.00 C ATOM 788 O ILE A 54 -6.052 -2.456 4.186 1.00 0.00 O ATOM 789 CB ILE A 54 -7.888 -4.335 5.214 1.00 0.00 C ATOM 790 CG1 ILE A 54 -8.904 -5.477 5.284 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.777 -3.635 6.560 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.408 -6.680 6.055 1.00 0.00 C ATOM 0 H ILE A 54 -7.883 -4.842 2.722 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.264 -2.909 4.361 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.914 -4.755 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.819 -5.110 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.162 -5.786 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.494 -4.359 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.020 -2.853 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.738 -3.191 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.179 -7.450 6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.509 -7.072 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.177 -6.386 7.079 1.00 0.00 H new ATOM 804 N LEU A 55 -7.726 -0.982 3.894 1.00 0.00 N ATOM 805 CA LEU A 55 -6.842 0.176 3.830 1.00 0.00 C ATOM 806 C LEU A 55 -6.774 0.884 5.179 1.00 0.00 C ATOM 807 O LEU A 55 -7.734 0.868 5.949 1.00 0.00 O ATOM 808 CB LEU A 55 -7.323 1.151 2.754 1.00 0.00 C ATOM 809 CG LEU A 55 -7.065 0.734 1.306 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.715 1.252 0.834 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.135 -0.780 1.166 1.00 0.00 C ATOM 0 H LEU A 55 -8.717 -0.762 3.795 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.842 -0.175 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.395 1.302 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.843 2.115 2.924 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.840 1.173 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.549 0.946 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.701 2.340 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.927 0.842 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.949 -1.058 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.382 -1.240 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.125 -1.127 1.463 1.00 0.00 H new ATOM 823 N ARG A 56 -5.633 1.506 5.458 1.00 0.00 N ATOM 824 CA ARG A 56 -5.440 2.221 6.714 1.00 0.00 C ATOM 825 C ARG A 56 -4.478 3.391 6.531 1.00 0.00 C ATOM 826 O ARG A 56 -3.572 3.338 5.701 1.00 0.00 O ATOM 827 CB ARG A 56 -4.906 1.272 7.789 1.00 0.00 C ATOM 828 CG ARG A 56 -5.937 0.271 8.284 1.00 0.00 C ATOM 829 CD ARG A 56 -5.358 -0.643 9.352 1.00 0.00 C ATOM 830 NE ARG A 56 -6.297 -1.691 9.744 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.356 -1.478 10.517 1.00 0.00 C ATOM 832 NH1 ARG A 56 -7.609 -0.261 10.979 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.164 -2.482 10.830 1.00 0.00 N ATOM 0 H ARG A 56 -4.828 1.529 4.831 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.406 2.613 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.048 0.730 7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.547 1.859 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.798 0.804 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.296 -0.328 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.440 -1.099 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.088 -0.052 10.227 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.130 -2.639 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.990 0.514 10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.423 -0.100 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.973 -3.420 10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.977 -2.317 11.424 1.00 0.00 H new ATOM 847 N GLN A 57 -4.683 4.447 7.313 1.00 0.00 N ATOM 848 CA GLN A 57 -3.835 5.630 7.235 1.00 0.00 C ATOM 849 C GLN A 57 -3.684 6.282 8.606 1.00 0.00 C ATOM 850 O GLN A 57 -4.610 6.919 9.106 1.00 0.00 O ATOM 851 CB GLN A 57 -4.417 6.637 6.241 1.00 0.00 C ATOM 852 CG GLN A 57 -3.537 7.858 6.026 1.00 0.00 C ATOM 853 CD GLN A 57 -4.188 8.896 5.133 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.375 9.195 5.273 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.413 9.452 4.210 1.00 0.00 N ATOM 0 H GLN A 57 -5.428 4.507 8.007 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.850 5.317 6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.575 6.140 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.395 6.962 6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.305 8.308 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.591 7.546 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.435 9.174 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.795 10.158 3.581 1.00 0.00 H new ATOM 864 N GLU A 58 -2.509 6.117 9.207 1.00 0.00 N ATOM 865 CA GLU A 58 -2.238 6.689 10.521 1.00 0.00 C ATOM 866 C GLU A 58 -1.396 7.956 10.400 1.00 0.00 C ATOM 867 O GLU A 58 -0.608 8.278 11.288 1.00 0.00 O ATOM 868 CB GLU A 58 -1.519 5.669 11.407 1.00 0.00 C ATOM 869 CG GLU A 58 -2.321 4.401 11.649 1.00 0.00 C ATOM 870 CD GLU A 58 -2.057 3.335 10.603 1.00 0.00 C ATOM 871 OE1 GLU A 58 -1.576 3.689 9.505 1.00 0.00 O ATOM 872 OE2 GLU A 58 -2.330 2.149 10.881 1.00 0.00 O ATOM 0 H GLU A 58 -1.731 5.593 8.806 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.192 6.950 10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.568 5.405 10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.289 6.132 12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.079 4.005 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.384 4.643 11.655 1.00 0.00 H new ATOM 879 N GLY A 59 -1.570 8.671 9.292 1.00 0.00 N ATOM 880 CA GLY A 59 -0.820 9.894 9.074 1.00 0.00 C ATOM 881 C GLY A 59 -0.166 9.937 7.707 1.00 0.00 C ATOM 882 O GLY A 59 -0.804 9.644 6.695 1.00 0.00 O ATOM 0 H GLY A 59 -2.216 8.425 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.487 10.750 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.054 9.989 9.843 1.00 0.00 H new ATOM 886 N THR A 60 1.111 10.305 7.675 1.00 0.00 N ATOM 887 CA THR A 60 1.851 10.388 6.423 1.00 0.00 C ATOM 888 C THR A 60 2.103 9.002 5.840 1.00 0.00 C ATOM 889 O THR A 60 2.567 8.869 4.707 1.00 0.00 O ATOM 890 CB THR A 60 3.201 11.104 6.615 1.00 0.00 C ATOM 891 OG1 THR A 60 4.007 10.387 7.556 1.00 0.00 O ATOM 892 CG2 THR A 60 2.993 12.531 7.101 1.00 0.00 C ATOM 0 H THR A 60 1.654 10.550 8.503 1.00 0.00 H new ATOM 0 HA THR A 60 1.237 10.964 5.731 1.00 0.00 H new ATOM 0 HB THR A 60 3.710 11.136 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.864 10.848 7.671 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.961 13.016 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.405 13.083 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.465 12.517 8.054 1.00 0.00 H new ATOM 900 N ARG A 61 1.793 7.972 6.620 1.00 0.00 N ATOM 901 CA ARG A 61 1.986 6.595 6.181 1.00 0.00 C ATOM 902 C ARG A 61 0.653 5.948 5.816 1.00 0.00 C ATOM 903 O ARG A 61 -0.305 6.000 6.589 1.00 0.00 O ATOM 904 CB ARG A 61 2.678 5.780 7.275 1.00 0.00 C ATOM 905 CG ARG A 61 2.862 4.314 6.918 1.00 0.00 C ATOM 906 CD ARG A 61 3.278 3.494 8.129 1.00 0.00 C ATOM 907 NE ARG A 61 2.126 3.018 8.890 1.00 0.00 N ATOM 908 CZ ARG A 61 2.221 2.440 10.083 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.408 2.268 10.647 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.127 2.034 10.713 1.00 0.00 N ATOM 0 H ARG A 61 1.407 8.065 7.560 1.00 0.00 H new ATOM 0 HA ARG A 61 2.618 6.609 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.654 6.220 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.095 5.851 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.932 3.918 6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.617 4.220 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.874 2.642 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.914 4.099 8.775 1.00 0.00 H new ATOM 0 HE ARG A 61 1.198 3.136 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.251 2.580 10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.478 1.824 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.212 2.165 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.201 1.590 11.629 1.00 0.00 H new ATOM 924 N CYS A 62 0.599 5.341 4.636 1.00 0.00 N ATOM 925 CA CYS A 62 -0.617 4.685 4.168 1.00 0.00 C ATOM 926 C CYS A 62 -0.391 3.188 3.984 1.00 0.00 C ATOM 927 O CYS A 62 0.394 2.770 3.134 1.00 0.00 O ATOM 928 CB CYS A 62 -1.084 5.309 2.852 1.00 0.00 C ATOM 929 SG CYS A 62 -1.392 7.088 2.947 1.00 0.00 S ATOM 0 H CYS A 62 1.383 5.289 3.986 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.390 4.827 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.331 5.122 2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.998 4.810 2.530 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.670 7.302 3.046 1.00 0.00 H new ATOM 935 N GLU A 63 -1.084 2.387 4.787 1.00 0.00 N ATOM 936 CA GLU A 63 -0.956 0.936 4.713 1.00 0.00 C ATOM 937 C GLU A 63 -2.100 0.330 3.905 1.00 0.00 C ATOM 938 O GLU A 63 -3.244 0.778 3.994 1.00 0.00 O ATOM 939 CB GLU A 63 -0.934 0.332 6.118 1.00 0.00 C ATOM 940 CG GLU A 63 0.417 0.440 6.806 1.00 0.00 C ATOM 941 CD GLU A 63 0.405 -0.135 8.209 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.199 0.495 9.103 1.00 0.00 O ATOM 943 OE2 GLU A 63 1.000 -1.214 8.414 1.00 0.00 O ATOM 0 H GLU A 63 -1.739 2.718 5.496 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.017 0.704 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.685 0.831 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.218 -0.718 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.167 -0.081 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.716 1.487 6.849 1.00 0.00 H new ATOM 950 N LEU A 64 -1.783 -0.691 3.116 1.00 0.00 N ATOM 951 CA LEU A 64 -2.783 -1.360 2.291 1.00 0.00 C ATOM 952 C LEU A 64 -2.726 -2.872 2.486 1.00 0.00 C ATOM 953 O LEU A 64 -1.648 -3.463 2.513 1.00 0.00 O ATOM 954 CB LEU A 64 -2.568 -1.016 0.816 1.00 0.00 C ATOM 955 CG LEU A 64 -3.007 -2.078 -0.192 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.523 -2.205 -0.207 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.484 -1.744 -1.581 1.00 0.00 C ATOM 0 H LEU A 64 -0.841 -1.074 3.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.768 -1.009 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.104 -0.093 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.508 -0.813 0.662 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.585 -3.036 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.817 -2.965 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.874 -2.492 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.965 -1.249 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.806 -2.511 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.875 -0.776 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.395 -1.705 -1.560 1.00 0.00 H new ATOM 969 N GLN A 65 -3.895 -3.490 2.618 1.00 0.00 N ATOM 970 CA GLN A 65 -3.978 -4.933 2.808 1.00 0.00 C ATOM 971 C GLN A 65 -4.939 -5.560 1.804 1.00 0.00 C ATOM 972 O GLN A 65 -6.065 -5.091 1.630 1.00 0.00 O ATOM 973 CB GLN A 65 -4.430 -5.256 4.234 1.00 0.00 C ATOM 974 CG GLN A 65 -3.279 -5.513 5.193 1.00 0.00 C ATOM 975 CD GLN A 65 -3.750 -5.949 6.566 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.375 -6.999 6.717 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.452 -5.142 7.578 1.00 0.00 N ATOM 0 H GLN A 65 -4.797 -3.014 2.597 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.985 -5.353 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.030 -4.428 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.076 -6.133 4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.628 -6.281 4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.682 -4.606 5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.932 -4.281 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.743 -5.383 8.525 1.00 0.00 H new ATOM 986 N ILE A 66 -4.489 -6.622 1.144 1.00 0.00 N ATOM 987 CA ILE A 66 -5.309 -7.313 0.158 1.00 0.00 C ATOM 988 C ILE A 66 -5.784 -8.662 0.686 1.00 0.00 C ATOM 989 O ILE A 66 -5.071 -9.662 0.596 1.00 0.00 O ATOM 990 CB ILE A 66 -4.541 -7.532 -1.159 1.00 0.00 C ATOM 991 CG1 ILE A 66 -4.051 -6.194 -1.718 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.423 -8.245 -2.174 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.771 -6.305 -2.515 1.00 0.00 C ATOM 0 H ILE A 66 -3.560 -7.022 1.275 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.173 -6.677 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.673 -8.159 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.828 -5.768 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.896 -5.499 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.866 -8.393 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.727 -9.213 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.308 -7.641 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.483 -5.319 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.980 -6.702 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.926 -6.974 -3.361 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.993 -8.683 1.236 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.566 -9.911 1.778 1.00 0.00 C ATOM 1007 C CYS A 67 -7.853 -10.915 0.666 1.00 0.00 C ATOM 1008 O CYS A 67 -8.656 -10.653 -0.228 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.851 -9.602 2.548 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.229 -10.789 3.858 1.00 0.00 S ATOM 0 H CYS A 67 -7.596 -7.864 1.319 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.839 -10.351 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.769 -8.607 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.685 -9.574 1.846 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.332 -10.442 4.453 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.189 -12.065 0.728 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.385 -13.090 -0.280 1.00 0.00 C ATOM 1018 C GLY A 68 -6.326 -13.047 -1.364 1.00 0.00 C ATOM 1019 O GLY A 68 -6.607 -12.673 -2.503 1.00 0.00 O ATOM 0 H GLY A 68 -6.519 -12.305 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.374 -14.070 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.369 -12.967 -0.732 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.104 -13.430 -1.010 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.997 -13.432 -1.960 1.00 0.00 C ATOM 1025 C LEU A 69 -4.095 -14.625 -2.906 1.00 0.00 C ATOM 1026 O LEU A 69 -4.757 -15.617 -2.604 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.661 -13.464 -1.217 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.187 -12.134 -0.630 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.897 -12.325 0.152 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.997 -11.102 -1.732 1.00 0.00 C ATOM 0 H LEU A 69 -4.855 -13.743 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.055 -12.517 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.736 -14.189 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.896 -13.829 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.952 -11.768 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.575 -11.368 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.066 -13.030 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.124 -12.714 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.660 -10.162 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.252 -11.461 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.943 -10.943 -2.249 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.429 -14.521 -4.052 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.437 -15.593 -5.040 1.00 0.00 C ATOM 1044 C ALA A 70 -2.493 -15.281 -6.195 1.00 0.00 C ATOM 1045 O ALA A 70 -2.222 -14.118 -6.491 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.849 -15.823 -5.557 1.00 0.00 C ATOM 0 H ALA A 70 -2.877 -13.706 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.087 -16.504 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.840 -16.626 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.500 -16.099 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.220 -14.909 -6.021 1.00 0.00 H new ATOM 1052 N MET A 71 -1.994 -16.328 -6.845 1.00 0.00 N ATOM 1053 CA MET A 71 -1.079 -16.165 -7.969 1.00 0.00 C ATOM 1054 C MET A 71 -1.441 -14.930 -8.789 1.00 0.00 C ATOM 1055 O MET A 71 -0.565 -14.253 -9.326 1.00 0.00 O ATOM 1056 CB MET A 71 -1.105 -17.408 -8.860 1.00 0.00 C ATOM 1057 CG MET A 71 -0.568 -18.656 -8.177 1.00 0.00 C ATOM 1058 SD MET A 71 1.221 -18.817 -8.331 1.00 0.00 S ATOM 1059 CE MET A 71 1.757 -18.167 -6.750 1.00 0.00 C ATOM 0 H MET A 71 -2.208 -17.298 -6.613 1.00 0.00 H new ATOM 0 HA MET A 71 -0.073 -16.034 -7.571 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.130 -17.593 -9.183 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.518 -17.214 -9.758 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.837 -18.632 -7.121 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.046 -19.536 -8.608 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.216 -17.189 -6.895 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.898 -18.070 -6.086 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.484 -18.846 -6.305 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.735 -14.644 -8.880 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.211 -13.491 -9.633 1.00 0.00 C ATOM 1071 C ALA A 72 -2.734 -12.188 -9.001 1.00 0.00 C ATOM 1072 O ALA A 72 -2.224 -11.303 -9.689 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.730 -13.510 -9.724 1.00 0.00 C ATOM 0 H ALA A 72 -3.473 -15.195 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.797 -13.550 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.072 -12.643 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.053 -14.421 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.155 -13.479 -8.721 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.902 -12.076 -7.688 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.488 -10.880 -6.963 1.00 0.00 C ATOM 1081 C ASP A 73 -1.087 -10.448 -7.383 1.00 0.00 C ATOM 1082 O ASP A 73 -0.803 -9.257 -7.500 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.527 -11.134 -5.455 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.897 -10.876 -4.860 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.172 -9.717 -4.484 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.694 -11.833 -4.770 1.00 0.00 O ATOM 0 H ASP A 73 -3.322 -12.799 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.184 -10.077 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.236 -12.165 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.794 -10.495 -4.963 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.214 -11.425 -7.608 1.00 0.00 N ATOM 1092 CA ALA A 74 1.157 -11.146 -8.015 1.00 0.00 C ATOM 1093 C ALA A 74 1.191 -10.284 -9.273 1.00 0.00 C ATOM 1094 O ALA A 74 0.904 -10.760 -10.371 1.00 0.00 O ATOM 1095 CB ALA A 74 1.915 -12.446 -8.243 1.00 0.00 C ATOM 0 H ALA A 74 -0.433 -12.417 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 74 1.643 -10.591 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.938 -12.222 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.929 -13.026 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.422 -13.022 -9.026 1.00 0.00 H new ATOM 1101 N GLY A 75 1.544 -9.013 -9.105 1.00 0.00 N ATOM 1102 CA GLY A 75 1.608 -8.106 -10.235 1.00 0.00 C ATOM 1103 C GLY A 75 2.338 -6.819 -9.905 1.00 0.00 C ATOM 1104 O GLY A 75 3.450 -6.847 -9.378 1.00 0.00 O ATOM 0 H GLY A 75 1.787 -8.596 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.109 -8.601 -11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.596 -7.872 -10.567 1.00 0.00 H new ATOM 1108 N GLU A 76 1.712 -5.688 -10.217 1.00 0.00 N ATOM 1109 CA GLU A 76 2.312 -4.386 -9.952 1.00 0.00 C ATOM 1110 C GLU A 76 1.293 -3.433 -9.334 1.00 0.00 C ATOM 1111 O GLU A 76 0.297 -3.078 -9.964 1.00 0.00 O ATOM 1112 CB GLU A 76 2.871 -3.785 -11.243 1.00 0.00 C ATOM 1113 CG GLU A 76 3.281 -2.328 -11.108 1.00 0.00 C ATOM 1114 CD GLU A 76 4.333 -1.922 -12.122 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.375 -2.534 -13.210 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.113 -0.992 -11.829 1.00 0.00 O ATOM 0 H GLU A 76 0.791 -5.648 -10.653 1.00 0.00 H new ATOM 0 HA GLU A 76 3.128 -4.528 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.735 -4.369 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.121 -3.871 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.402 -1.694 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.664 -2.154 -10.103 1.00 0.00 H new ATOM 1123 N TYR A 77 1.549 -3.024 -8.096 1.00 0.00 N ATOM 1124 CA TYR A 77 0.653 -2.115 -7.391 1.00 0.00 C ATOM 1125 C TYR A 77 1.207 -0.694 -7.394 1.00 0.00 C ATOM 1126 O TYR A 77 2.390 -0.474 -7.131 1.00 0.00 O ATOM 1127 CB TYR A 77 0.442 -2.589 -5.952 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.323 -3.889 -5.849 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.244 -5.087 -6.268 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.613 -3.921 -5.334 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.451 -6.277 -6.176 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.315 -5.107 -5.237 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.730 -6.282 -5.660 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.426 -7.465 -5.567 1.00 0.00 O ATOM 0 H TYR A 77 2.369 -3.308 -7.560 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.305 -2.113 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.413 -2.710 -5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.093 -1.817 -5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.245 -5.087 -6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.075 -3.002 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.005 -7.199 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.316 -5.114 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.004 -8.139 -6.140 1.00 0.00 H new ATOM 1144 N LEU A 78 0.342 0.270 -7.692 1.00 0.00 N ATOM 1145 CA LEU A 78 0.742 1.672 -7.729 1.00 0.00 C ATOM 1146 C LEU A 78 -0.010 2.481 -6.677 1.00 0.00 C ATOM 1147 O LEU A 78 -1.197 2.253 -6.436 1.00 0.00 O ATOM 1148 CB LEU A 78 0.487 2.259 -9.119 1.00 0.00 C ATOM 1149 CG LEU A 78 1.390 1.745 -10.240 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.778 0.518 -10.898 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.636 2.838 -11.270 1.00 0.00 C ATOM 0 H LEU A 78 -0.641 0.106 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 78 1.808 1.726 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.549 2.057 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.596 3.342 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 78 2.348 1.459 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.435 0.166 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.654 -0.270 -10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.194 0.777 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.281 2.454 -12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.685 3.155 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.118 3.689 -10.789 1.00 0.00 H new ATOM 1163 N CYS A 79 0.686 3.426 -6.056 1.00 0.00 N ATOM 1164 CA CYS A 79 0.083 4.271 -5.030 1.00 0.00 C ATOM 1165 C CYS A 79 0.131 5.740 -5.438 1.00 0.00 C ATOM 1166 O CYS A 79 1.199 6.350 -5.476 1.00 0.00 O ATOM 1167 CB CYS A 79 0.801 4.076 -3.694 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.191 4.528 -2.251 1.00 0.00 S ATOM 0 H CYS A 79 1.668 3.627 -6.244 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.961 3.978 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.100 3.032 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.715 4.671 -3.694 1.00 0.00 H new ATOM 0 HG CYS A 79 0.458 4.225 -1.166 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.034 6.301 -5.745 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.126 7.699 -6.151 1.00 0.00 C ATOM 1176 C VAL A 80 -1.382 8.604 -4.951 1.00 0.00 C ATOM 1177 O VAL A 80 -2.329 8.393 -4.192 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.245 7.910 -7.188 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.291 9.362 -7.637 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.052 6.981 -8.377 1.00 0.00 C ATOM 0 H VAL A 80 -1.927 5.809 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.169 7.961 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.200 7.670 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.088 9.491 -8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.482 10.003 -6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.336 9.634 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.852 7.144 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.090 7.187 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.075 5.946 -8.037 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.533 9.612 -4.786 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.667 10.551 -3.678 1.00 0.00 C ATOM 1192 C CYS A 81 -0.910 11.967 -4.191 1.00 0.00 C ATOM 1193 O CYS A 81 -0.010 12.805 -4.179 1.00 0.00 O ATOM 1194 CB CYS A 81 0.587 10.521 -2.803 1.00 0.00 C ATOM 1195 SG CYS A 81 0.589 11.747 -1.473 1.00 0.00 S ATOM 0 H CYS A 81 0.255 9.800 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.526 10.249 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.689 9.527 -2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.461 10.683 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.629 12.139 -1.243 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.134 12.225 -4.642 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.474 13.539 -5.155 1.00 0.00 C ATOM 1203 C GLY A 82 -1.970 13.759 -6.567 1.00 0.00 C ATOM 1204 O GLY A 82 -2.651 13.421 -7.535 1.00 0.00 O ATOM 0 H GLY A 82 -2.896 11.547 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.557 13.664 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.053 14.301 -4.500 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.774 14.328 -6.685 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.181 14.594 -7.991 1.00 0.00 C ATOM 1210 C GLN A 83 0.927 13.593 -8.300 1.00 0.00 C ATOM 1211 O GLN A 83 1.183 13.275 -9.460 1.00 0.00 O ATOM 1212 CB GLN A 83 0.373 16.019 -8.041 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.657 17.059 -8.451 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.746 17.231 -9.954 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -1.026 16.280 -10.684 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -0.509 18.449 -10.426 1.00 0.00 N ATOM 0 H GLN A 83 -0.197 14.613 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.961 14.488 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.770 16.280 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.208 16.051 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.634 16.770 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.404 18.016 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.280 19.209 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.556 18.625 -11.430 1.00 0.00 H new ATOM 1225 N GLU A 84 1.581 13.100 -7.252 1.00 0.00 N ATOM 1226 CA GLU A 84 2.663 12.135 -7.414 1.00 0.00 C ATOM 1227 C GLU A 84 2.127 10.707 -7.387 1.00 0.00 C ATOM 1228 O GLU A 84 0.941 10.482 -7.145 1.00 0.00 O ATOM 1229 CB GLU A 84 3.708 12.320 -6.312 1.00 0.00 C ATOM 1230 CG GLU A 84 4.576 13.554 -6.496 1.00 0.00 C ATOM 1231 CD GLU A 84 3.762 14.803 -6.771 1.00 0.00 C ATOM 1232 OE1 GLU A 84 3.321 15.450 -5.798 1.00 0.00 O ATOM 1233 OE2 GLU A 84 3.567 15.134 -7.959 1.00 0.00 O ATOM 0 H GLU A 84 1.381 13.352 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 84 3.131 12.310 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.201 12.383 -5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.348 11.438 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.178 13.707 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.268 13.387 -7.321 1.00 0.00 H new ATOM 1240 N ARG A 85 3.009 9.745 -7.639 1.00 0.00 N ATOM 1241 CA ARG A 85 2.625 8.339 -7.646 1.00 0.00 C ATOM 1242 C ARG A 85 3.848 7.442 -7.815 1.00 0.00 C ATOM 1243 O ARG A 85 4.875 7.867 -8.345 1.00 0.00 O ATOM 1244 CB ARG A 85 1.622 8.068 -8.769 1.00 0.00 C ATOM 1245 CG ARG A 85 2.129 8.462 -10.147 1.00 0.00 C ATOM 1246 CD ARG A 85 1.475 7.631 -11.240 1.00 0.00 C ATOM 1247 NE ARG A 85 1.478 8.320 -12.528 1.00 0.00 N ATOM 1248 CZ ARG A 85 0.578 9.234 -12.874 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -0.392 9.566 -12.034 1.00 0.00 N ATOM 1250 NH2 ARG A 85 0.648 9.817 -14.064 1.00 0.00 N ATOM 0 H ARG A 85 3.994 9.914 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 85 2.158 8.111 -6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.372 7.007 -8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.701 8.612 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.927 9.519 -10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.211 8.333 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.000 6.681 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.449 7.400 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 85 2.211 8.087 -13.198 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.449 9.119 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.081 10.268 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.393 9.563 -14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.043 10.519 -14.330 1.00 0.00 H new ATOM 1264 N THR A 86 3.731 6.199 -7.360 1.00 0.00 N ATOM 1265 CA THR A 86 4.826 5.242 -7.458 1.00 0.00 C ATOM 1266 C THR A 86 4.324 3.875 -7.909 1.00 0.00 C ATOM 1267 O THR A 86 3.129 3.686 -8.134 1.00 0.00 O ATOM 1268 CB THR A 86 5.561 5.089 -6.113 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.589 4.099 -6.226 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.591 4.697 -5.009 1.00 0.00 C ATOM 0 H THR A 86 2.888 5.831 -6.919 1.00 0.00 H new ATOM 0 HA THR A 86 5.521 5.633 -8.201 1.00 0.00 H new ATOM 0 HB THR A 86 6.009 6.049 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.247 4.386 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.132 4.595 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.827 5.467 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.118 3.748 -5.260 1.00 0.00 H new ATOM 1278 N SER A 87 5.244 2.925 -8.038 1.00 0.00 N ATOM 1279 CA SER A 87 4.895 1.575 -8.465 1.00 0.00 C ATOM 1280 C SER A 87 5.828 0.547 -7.832 1.00 0.00 C ATOM 1281 O SER A 87 6.985 0.842 -7.537 1.00 0.00 O ATOM 1282 CB SER A 87 4.957 1.468 -9.989 1.00 0.00 C ATOM 1283 OG SER A 87 6.296 1.519 -10.450 1.00 0.00 O ATOM 0 H SER A 87 6.237 3.065 -7.853 1.00 0.00 H new ATOM 0 HA SER A 87 3.877 1.367 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.494 0.535 -10.310 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.384 2.279 -10.437 1.00 0.00 H new ATOM 0 HG SER A 87 6.458 0.775 -11.067 1.00 0.00 H new ATOM 1289 N ALA A 88 5.314 -0.662 -7.628 1.00 0.00 N ATOM 1290 CA ALA A 88 6.100 -1.735 -7.033 1.00 0.00 C ATOM 1291 C ALA A 88 5.718 -3.088 -7.624 1.00 0.00 C ATOM 1292 O ALA A 88 4.893 -3.169 -8.535 1.00 0.00 O ATOM 1293 CB ALA A 88 5.919 -1.747 -5.522 1.00 0.00 C ATOM 0 H ALA A 88 4.357 -0.922 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 88 7.150 -1.552 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.512 -2.554 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.248 -0.794 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.867 -1.902 -5.283 1.00 0.00 H new ATOM 1299 N THR A 89 6.324 -4.150 -7.101 1.00 0.00 N ATOM 1300 CA THR A 89 6.048 -5.499 -7.578 1.00 0.00 C ATOM 1301 C THR A 89 5.854 -6.465 -6.414 1.00 0.00 C ATOM 1302 O THR A 89 6.728 -6.606 -5.559 1.00 0.00 O ATOM 1303 CB THR A 89 7.185 -6.020 -8.477 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.522 -5.035 -9.461 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.780 -7.314 -9.166 1.00 0.00 C ATOM 0 H THR A 89 7.009 -4.101 -6.347 1.00 0.00 H new ATOM 0 HA THR A 89 5.128 -5.446 -8.161 1.00 0.00 H new ATOM 0 HB THR A 89 8.054 -6.218 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.247 -5.373 -10.028 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.599 -7.663 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.552 -8.070 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.898 -7.138 -9.782 1.00 0.00 H new ATOM 1313 N LEU A 90 4.703 -7.128 -6.388 1.00 0.00 N ATOM 1314 CA LEU A 90 4.393 -8.082 -5.329 1.00 0.00 C ATOM 1315 C LEU A 90 4.686 -9.509 -5.779 1.00 0.00 C ATOM 1316 O LEU A 90 4.644 -9.817 -6.971 1.00 0.00 O ATOM 1317 CB LEU A 90 2.926 -7.956 -4.915 1.00 0.00 C ATOM 1318 CG LEU A 90 2.408 -9.021 -3.948 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.028 -8.838 -2.571 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.890 -8.970 -3.862 1.00 0.00 C ATOM 0 H LEU A 90 3.969 -7.022 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 90 5.026 -7.854 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.781 -6.977 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.312 -7.981 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 90 2.698 -10.001 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.648 -9.605 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.112 -8.925 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.769 -7.853 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.539 -9.735 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.579 -7.988 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.463 -9.151 -4.849 1.00 0.00 H new ATOM 1332 N THR A 91 4.981 -10.379 -4.818 1.00 0.00 N ATOM 1333 CA THR A 91 5.280 -11.774 -5.115 1.00 0.00 C ATOM 1334 C THR A 91 4.386 -12.711 -4.311 1.00 0.00 C ATOM 1335 O THR A 91 4.209 -12.532 -3.105 1.00 0.00 O ATOM 1336 CB THR A 91 6.754 -12.109 -4.819 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.607 -11.419 -5.739 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.999 -13.607 -4.916 1.00 0.00 C ATOM 0 H THR A 91 5.019 -10.142 -3.827 1.00 0.00 H new ATOM 0 HA THR A 91 5.090 -11.918 -6.179 1.00 0.00 H new ATOM 0 HB THR A 91 6.980 -11.786 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.542 -11.636 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.047 -13.819 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.370 -14.126 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.756 -13.951 -5.921 1.00 0.00 H new ATOM 1346 N ILE A 92 3.826 -13.710 -4.984 1.00 0.00 N ATOM 1347 CA ILE A 92 2.952 -14.676 -4.330 1.00 0.00 C ATOM 1348 C ILE A 92 3.592 -16.060 -4.293 1.00 0.00 C ATOM 1349 O ILE A 92 4.199 -16.500 -5.270 1.00 0.00 O ATOM 1350 CB ILE A 92 1.588 -14.772 -5.040 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.931 -13.393 -5.117 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.683 -15.757 -4.315 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.454 -12.875 -3.778 1.00 0.00 C ATOM 0 H ILE A 92 3.962 -13.872 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 92 2.798 -14.322 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 92 1.747 -15.134 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.643 -12.684 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.084 -13.441 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.277 -15.814 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.150 -16.742 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.527 -15.421 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.001 -11.893 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.282 -13.564 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.301 -12.795 -3.096 1.00 0.00 H new ATOM 1365 N ARG A 93 3.450 -16.741 -3.161 1.00 0.00 N ATOM 1366 CA ARG A 93 4.014 -18.076 -2.997 1.00 0.00 C ATOM 1367 C ARG A 93 2.909 -19.123 -2.890 1.00 0.00 C ATOM 1368 O ARG A 93 2.121 -19.114 -1.945 1.00 0.00 O ATOM 1369 CB ARG A 93 4.903 -18.128 -1.753 1.00 0.00 C ATOM 1370 CG ARG A 93 6.338 -17.698 -2.012 1.00 0.00 C ATOM 1371 CD ARG A 93 7.199 -18.870 -2.456 1.00 0.00 C ATOM 1372 NE ARG A 93 7.711 -19.634 -1.322 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.336 -20.800 -1.443 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.525 -21.333 -2.642 1.00 0.00 N ATOM 1375 NH2 ARG A 93 8.774 -21.435 -0.363 1.00 0.00 N ATOM 0 H ARG A 93 2.950 -16.391 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 93 4.618 -18.299 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.474 -17.487 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.903 -19.144 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.354 -16.923 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.757 -17.260 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.614 -19.526 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.034 -18.501 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 93 7.582 -19.251 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.190 -20.848 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.005 -22.228 -2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.631 -21.028 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.254 -22.330 -0.457 1.00 0.00 H new ATOM 1389 N ALA A 94 2.859 -20.024 -3.865 1.00 0.00 N ATOM 1390 CA ALA A 94 1.852 -21.078 -3.880 1.00 0.00 C ATOM 1391 C ALA A 94 1.813 -21.818 -2.547 1.00 0.00 C ATOM 1392 O ALA A 94 2.831 -22.329 -2.079 1.00 0.00 O ATOM 1393 CB ALA A 94 2.124 -22.051 -5.018 1.00 0.00 C ATOM 0 H ALA A 94 3.504 -20.045 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 94 0.878 -20.615 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.365 -22.833 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.095 -21.517 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.108 -22.501 -4.885 1.00 0.00 H new ATOM 1399 N LEU A 95 0.633 -21.872 -1.940 1.00 0.00 N ATOM 1400 CA LEU A 95 0.461 -22.549 -0.660 1.00 0.00 C ATOM 1401 C LEU A 95 0.904 -24.006 -0.750 1.00 0.00 C ATOM 1402 O LEU A 95 0.919 -24.610 -1.823 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.000 -22.475 -0.213 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.405 -21.216 0.555 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.893 -20.949 0.396 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.039 -21.349 2.026 1.00 0.00 C ATOM 0 H LEU A 95 -0.219 -21.455 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 95 1.086 -22.044 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.634 -22.557 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.212 -23.342 0.413 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.859 -20.369 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.162 -20.049 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.127 -20.809 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.458 -21.796 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.334 -20.444 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.558 -22.207 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.037 -21.491 2.122 1.00 0.00 H new