USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 450 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 31 GLN : amide:sc= 0.329 K(o=0.33,f=-0.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 70:sc= 0.0432 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.0067) USER MOD Single : A 62 ASN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.624 K(o=0.62,f=-0.41) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.347 K(o=0.35,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.141 2.308 -0.631 1.00 0.00 N ATOM 109 CA ILE A 21 6.749 2.148 -1.035 1.00 0.00 C ATOM 110 C ILE A 21 5.867 1.893 0.191 1.00 0.00 C ATOM 111 O ILE A 21 4.895 2.625 0.399 1.00 0.00 O ATOM 112 CB ILE A 21 6.671 1.000 -2.067 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.267 1.481 -3.413 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.239 0.472 -2.272 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.582 0.345 -4.391 1.00 0.00 C ATOM 0 HA ILE A 21 6.375 3.059 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 21 7.252 0.166 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.566 2.170 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.181 2.042 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.250 -0.332 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.852 0.093 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.600 1.281 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.996 0.760 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.307 -0.333 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.668 -0.202 -4.620 1.00 0.00 H new ATOM 127 N LEU A 22 6.162 0.842 0.969 1.00 0.00 N ATOM 128 CA LEU A 22 5.369 0.354 2.097 1.00 0.00 C ATOM 129 C LEU A 22 5.072 1.475 3.083 1.00 0.00 C ATOM 130 O LEU A 22 3.973 1.522 3.640 1.00 0.00 O ATOM 131 CB LEU A 22 6.119 -0.782 2.827 1.00 0.00 C ATOM 132 CG LEU A 22 6.073 -2.159 2.131 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.075 -3.151 2.730 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.684 -2.766 2.253 1.00 0.00 C ATOM 0 H LEU A 22 7.003 0.284 0.818 1.00 0.00 H new ATOM 0 HA LEU A 22 4.426 -0.025 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.162 -0.488 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.701 -0.886 3.828 1.00 0.00 H new ATOM 0 HG LEU A 22 6.333 -1.984 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.002 -4.103 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.085 -2.755 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.851 -3.301 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.666 -3.737 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.433 -2.891 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.956 -2.105 1.783 1.00 0.00 H new ATOM 146 N SER A 23 6.017 2.398 3.259 1.00 0.00 N ATOM 147 CA SER A 23 5.854 3.543 4.146 1.00 0.00 C ATOM 148 C SER A 23 4.613 4.355 3.759 1.00 0.00 C ATOM 149 O SER A 23 3.802 4.724 4.607 1.00 0.00 O ATOM 150 CB SER A 23 7.132 4.381 4.105 1.00 0.00 C ATOM 151 OG SER A 23 7.302 5.167 5.268 1.00 0.00 O ATOM 0 H SER A 23 6.921 2.370 2.787 1.00 0.00 H new ATOM 0 HA SER A 23 5.695 3.206 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.992 3.721 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.108 5.032 3.231 1.00 0.00 H new ATOM 0 HG SER A 23 8.132 5.683 5.196 1.00 0.00 H new ATOM 157 N GLY A 24 4.401 4.557 2.458 1.00 0.00 N ATOM 158 CA GLY A 24 3.245 5.295 1.990 1.00 0.00 C ATOM 159 C GLY A 24 1.942 4.497 2.047 1.00 0.00 C ATOM 160 O GLY A 24 0.866 5.096 1.988 1.00 0.00 O ATOM 0 H GLY A 24 5.016 4.218 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.134 6.198 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.420 5.614 0.963 1.00 0.00 H new ATOM 164 N ILE A 25 1.988 3.161 2.129 1.00 0.00 N ATOM 165 CA ILE A 25 0.776 2.339 2.172 1.00 0.00 C ATOM 166 C ILE A 25 0.134 2.472 3.549 1.00 0.00 C ATOM 167 O ILE A 25 -1.077 2.665 3.625 1.00 0.00 O ATOM 168 CB ILE A 25 1.049 0.868 1.782 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.727 0.845 0.395 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.269 0.060 1.770 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.821 -0.536 -0.250 1.00 0.00 C ATOM 0 H ILE A 25 2.856 2.627 2.167 1.00 0.00 H new ATOM 0 HA ILE A 25 0.073 2.704 1.423 1.00 0.00 H new ATOM 0 HB ILE A 25 1.710 0.404 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.176 1.506 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.732 1.255 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.060 -0.973 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.721 0.086 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.957 0.497 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.311 -0.452 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.400 -1.199 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.819 -0.944 -0.384 1.00 0.00 H new ATOM 183 N GLU A 26 0.941 2.438 4.609 1.00 0.00 N ATOM 184 CA GLU A 26 0.542 2.760 5.980 1.00 0.00 C ATOM 185 C GLU A 26 -0.269 4.059 5.994 1.00 0.00 C ATOM 186 O GLU A 26 -1.387 4.107 6.517 1.00 0.00 O ATOM 187 CB GLU A 26 1.820 2.881 6.828 1.00 0.00 C ATOM 188 CG GLU A 26 1.630 3.437 8.247 1.00 0.00 C ATOM 189 CD GLU A 26 2.910 4.148 8.680 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.844 3.454 9.141 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.010 5.385 8.494 1.00 0.00 O ATOM 0 H GLU A 26 1.924 2.177 4.535 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.093 1.978 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.279 1.895 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.526 3.521 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.789 4.130 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.396 2.628 8.940 1.00 0.00 H new ATOM 198 N GLU A 27 0.302 5.113 5.415 1.00 0.00 N ATOM 199 CA GLU A 27 -0.256 6.452 5.483 1.00 0.00 C ATOM 200 C GLU A 27 -1.403 6.637 4.473 1.00 0.00 C ATOM 201 O GLU A 27 -2.227 7.544 4.642 1.00 0.00 O ATOM 202 CB GLU A 27 0.902 7.445 5.321 1.00 0.00 C ATOM 203 CG GLU A 27 0.579 8.842 5.875 1.00 0.00 C ATOM 204 CD GLU A 27 1.839 9.665 6.191 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.955 9.303 5.739 1.00 0.00 O ATOM 206 OE2 GLU A 27 1.710 10.715 6.853 1.00 0.00 O ATOM 0 H GLU A 27 1.170 5.056 4.883 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.727 6.637 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.783 7.053 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.156 7.529 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.030 9.383 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.019 8.739 6.781 1.00 0.00 H new ATOM 213 N THR A 28 -1.533 5.757 3.468 1.00 0.00 N ATOM 214 CA THR A 28 -2.764 5.612 2.703 1.00 0.00 C ATOM 215 C THR A 28 -3.832 5.021 3.627 1.00 0.00 C ATOM 216 O THR A 28 -4.902 5.597 3.782 1.00 0.00 O ATOM 217 CB THR A 28 -2.585 4.705 1.466 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.459 5.027 0.673 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.809 4.793 0.549 1.00 0.00 C ATOM 0 H THR A 28 -0.785 5.131 3.170 1.00 0.00 H new ATOM 0 HA THR A 28 -3.060 6.594 2.335 1.00 0.00 H new ATOM 0 HB THR A 28 -2.449 3.705 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.641 4.758 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.663 4.147 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.696 4.473 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.940 5.822 0.215 1.00 0.00 H new ATOM 227 N PHE A 29 -3.557 3.867 4.236 1.00 0.00 N ATOM 228 CA PHE A 29 -4.532 3.069 4.958 1.00 0.00 C ATOM 229 C PHE A 29 -5.185 3.896 6.065 1.00 0.00 C ATOM 230 O PHE A 29 -6.414 3.937 6.139 1.00 0.00 O ATOM 231 CB PHE A 29 -3.859 1.785 5.476 1.00 0.00 C ATOM 232 CG PHE A 29 -3.897 0.590 4.529 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.728 0.733 3.137 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.127 -0.694 5.056 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.797 -0.389 2.292 1.00 0.00 C ATOM 236 CE2 PHE A 29 -4.189 -1.818 4.215 1.00 0.00 C ATOM 237 CZ PHE A 29 -4.026 -1.668 2.829 1.00 0.00 C ATOM 0 H PHE A 29 -2.623 3.456 4.237 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.339 2.765 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.818 2.010 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.337 1.498 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.544 1.711 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.258 -0.817 6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.674 -0.268 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.362 -2.798 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.076 -2.529 2.179 1.00 0.00 H new ATOM 247 N ALA A 30 -4.400 4.621 6.865 1.00 0.00 N ATOM 248 CA ALA A 30 -4.938 5.444 7.943 1.00 0.00 C ATOM 249 C ALA A 30 -5.878 6.553 7.459 1.00 0.00 C ATOM 250 O ALA A 30 -6.818 6.904 8.172 1.00 0.00 O ATOM 251 CB ALA A 30 -3.794 6.039 8.754 1.00 0.00 C ATOM 0 H ALA A 30 -3.384 4.653 6.783 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.543 4.786 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.199 6.653 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.193 5.235 9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.171 6.655 8.106 1.00 0.00 H new ATOM 257 N GLN A 31 -5.701 7.078 6.241 1.00 0.00 N ATOM 258 CA GLN A 31 -6.608 8.063 5.637 1.00 0.00 C ATOM 259 C GLN A 31 -8.001 7.491 5.356 1.00 0.00 C ATOM 260 O GLN A 31 -8.899 8.239 4.977 1.00 0.00 O ATOM 261 CB GLN A 31 -5.981 8.598 4.337 1.00 0.00 C ATOM 262 CG GLN A 31 -5.532 10.058 4.514 1.00 0.00 C ATOM 263 CD GLN A 31 -4.502 10.564 3.508 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.707 11.581 2.850 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.342 9.934 3.408 1.00 0.00 N ATOM 0 H GLN A 31 -4.916 6.829 5.640 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.742 8.873 6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.127 7.981 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.703 8.530 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.412 10.698 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.119 10.172 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.171 9.090 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.619 10.293 2.785 1.00 0.00 H new ATOM 274 N PHE A 32 -8.174 6.183 5.520 1.00 0.00 N ATOM 275 CA PHE A 32 -9.418 5.447 5.380 1.00 0.00 C ATOM 276 C PHE A 32 -9.709 4.623 6.644 1.00 0.00 C ATOM 277 O PHE A 32 -10.585 3.761 6.621 1.00 0.00 O ATOM 278 CB PHE A 32 -9.312 4.575 4.125 1.00 0.00 C ATOM 279 CG PHE A 32 -9.267 5.360 2.840 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.037 5.823 2.337 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.462 5.638 2.153 1.00 0.00 C ATOM 282 CE1 PHE A 32 -8.014 6.585 1.166 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.435 6.411 0.982 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.208 6.904 0.502 1.00 0.00 C ATOM 0 H PHE A 32 -7.396 5.573 5.770 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.259 6.131 5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.415 3.961 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.163 3.894 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.117 5.591 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.401 5.257 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.071 6.931 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.351 6.626 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.185 7.529 -0.379 1.00 0.00 H new ATOM 294 N SER A 33 -8.966 4.841 7.737 1.00 0.00 N ATOM 295 CA SER A 33 -9.094 4.120 9.008 1.00 0.00 C ATOM 296 C SER A 33 -8.705 2.633 8.875 1.00 0.00 C ATOM 297 O SER A 33 -9.019 1.821 9.753 1.00 0.00 O ATOM 298 CB SER A 33 -10.528 4.305 9.553 1.00 0.00 C ATOM 299 OG SER A 33 -10.553 4.638 10.930 1.00 0.00 O ATOM 0 H SER A 33 -8.233 5.550 7.760 1.00 0.00 H new ATOM 0 HA SER A 33 -8.390 4.542 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.029 5.089 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.093 3.386 9.396 1.00 0.00 H new ATOM 0 HG SER A 33 -11.482 4.745 11.224 1.00 0.00 H new ATOM 305 N ILE A 34 -8.076 2.241 7.764 1.00 0.00 N ATOM 306 CA ILE A 34 -7.894 0.839 7.421 1.00 0.00 C ATOM 307 C ILE A 34 -6.762 0.313 8.305 1.00 0.00 C ATOM 308 O ILE A 34 -5.711 0.958 8.383 1.00 0.00 O ATOM 309 CB ILE A 34 -7.591 0.654 5.917 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.739 1.220 5.059 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.381 -0.823 5.544 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.465 1.173 3.549 1.00 0.00 C ATOM 0 H ILE A 34 -7.682 2.889 7.082 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.809 0.275 7.601 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.667 1.197 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.649 0.659 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.925 2.253 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.171 -0.903 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.541 -1.225 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.282 -1.389 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.317 1.588 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.573 1.758 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.309 0.140 3.239 1.00 0.00 H new ATOM 324 N PRO A 35 -6.917 -0.869 8.922 1.00 0.00 N ATOM 325 CA PRO A 35 -5.860 -1.525 9.664 1.00 0.00 C ATOM 326 C PRO A 35 -4.711 -1.881 8.723 1.00 0.00 C ATOM 327 O PRO A 35 -4.798 -2.821 7.922 1.00 0.00 O ATOM 328 CB PRO A 35 -6.513 -2.754 10.291 1.00 0.00 C ATOM 329 CG PRO A 35 -7.620 -3.100 9.304 1.00 0.00 C ATOM 330 CD PRO A 35 -8.097 -1.714 8.887 1.00 0.00 C ATOM 0 HA PRO A 35 -5.423 -0.894 10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.803 -3.574 10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.910 -2.537 11.283 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.249 -3.678 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.414 -3.686 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.536 -1.734 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.865 -1.343 9.566 1.00 0.00 H new ATOM 338 N TYR A 36 -3.627 -1.117 8.814 1.00 0.00 N ATOM 339 CA TYR A 36 -2.373 -1.482 8.185 1.00 0.00 C ATOM 340 C TYR A 36 -1.825 -2.712 8.906 1.00 0.00 C ATOM 341 O TYR A 36 -2.252 -3.034 10.020 1.00 0.00 O ATOM 342 CB TYR A 36 -1.401 -0.295 8.200 1.00 0.00 C ATOM 343 CG TYR A 36 -0.132 -0.544 7.406 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.196 -0.680 6.006 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.107 -0.669 8.060 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.976 -0.932 5.274 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.277 -0.947 7.337 1.00 0.00 C ATOM 348 CZ TYR A 36 2.214 -1.064 5.935 1.00 0.00 C ATOM 349 OH TYR A 36 3.349 -1.265 5.221 1.00 0.00 O ATOM 0 H TYR A 36 -3.598 -0.234 9.324 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.519 -1.735 7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.906 0.583 7.798 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.136 -0.065 9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.144 -0.591 5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.158 -0.550 9.132 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.928 -1.025 4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.218 -1.070 7.852 1.00 0.00 H new ATOM 0 HH TYR A 36 3.574 -0.449 4.727 1.00 0.00 H new ATOM 359 N ASP A 37 -0.927 -3.431 8.245 1.00 0.00 N ATOM 360 CA ASP A 37 -0.101 -4.454 8.861 1.00 0.00 C ATOM 361 C ASP A 37 1.089 -4.693 7.948 1.00 0.00 C ATOM 362 O ASP A 37 0.915 -5.214 6.844 1.00 0.00 O ATOM 363 CB ASP A 37 -0.860 -5.777 9.062 1.00 0.00 C ATOM 364 CG ASP A 37 -0.019 -6.788 9.852 1.00 0.00 C ATOM 365 OD1 ASP A 37 1.125 -6.473 10.237 1.00 0.00 O ATOM 366 OD2 ASP A 37 -0.561 -7.871 10.182 1.00 0.00 O ATOM 0 H ASP A 37 -0.751 -3.315 7.247 1.00 0.00 H new ATOM 0 HA ASP A 37 0.207 -4.109 9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.794 -5.586 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.123 -6.199 8.092 1.00 0.00 H new ATOM 371 N LYS A 38 2.290 -4.305 8.382 1.00 0.00 N ATOM 372 CA LYS A 38 3.511 -4.530 7.614 1.00 0.00 C ATOM 373 C LYS A 38 3.631 -6.001 7.199 1.00 0.00 C ATOM 374 O LYS A 38 4.071 -6.257 6.083 1.00 0.00 O ATOM 375 CB LYS A 38 4.729 -4.095 8.446 1.00 0.00 C ATOM 376 CG LYS A 38 6.072 -4.295 7.720 1.00 0.00 C ATOM 377 CD LYS A 38 6.303 -3.411 6.484 1.00 0.00 C ATOM 378 CE LYS A 38 6.326 -1.898 6.751 1.00 0.00 C ATOM 379 NZ LYS A 38 7.568 -1.414 7.396 1.00 0.00 N ATOM 0 H LYS A 38 2.441 -3.829 9.271 1.00 0.00 H new ATOM 0 HA LYS A 38 3.472 -3.932 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.621 -3.043 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.742 -4.659 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.878 -4.111 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.147 -5.339 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.250 -3.696 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.520 -3.622 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.192 -1.372 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.477 -1.639 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.506 -0.386 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.690 -1.887 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.382 -1.628 6.786 1.00 0.00 H new ATOM 393 N GLU A 39 3.239 -6.946 8.062 1.00 0.00 N ATOM 394 CA GLU A 39 3.307 -8.378 7.787 1.00 0.00 C ATOM 395 C GLU A 39 2.456 -8.671 6.552 1.00 0.00 C ATOM 396 O GLU A 39 2.965 -9.072 5.508 1.00 0.00 O ATOM 397 CB GLU A 39 2.787 -9.185 8.990 1.00 0.00 C ATOM 398 CG GLU A 39 3.695 -9.183 10.231 1.00 0.00 C ATOM 399 CD GLU A 39 4.554 -10.445 10.284 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.628 -10.483 9.656 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.116 -11.453 10.897 1.00 0.00 O ATOM 0 H GLU A 39 2.860 -6.729 8.984 1.00 0.00 H new ATOM 0 HA GLU A 39 4.342 -8.669 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.811 -8.792 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.635 -10.217 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.337 -8.302 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.085 -9.116 11.132 1.00 0.00 H new ATOM 408 N LYS A 40 1.144 -8.437 6.644 1.00 0.00 N ATOM 409 CA LYS A 40 0.216 -8.745 5.566 1.00 0.00 C ATOM 410 C LYS A 40 0.586 -8.040 4.279 1.00 0.00 C ATOM 411 O LYS A 40 0.416 -8.608 3.208 1.00 0.00 O ATOM 412 CB LYS A 40 -1.202 -8.329 5.948 1.00 0.00 C ATOM 413 CG LYS A 40 -1.671 -8.961 7.260 1.00 0.00 C ATOM 414 CD LYS A 40 -3.112 -9.434 7.156 1.00 0.00 C ATOM 415 CE LYS A 40 -4.062 -8.254 6.940 1.00 0.00 C ATOM 416 NZ LYS A 40 -5.352 -8.702 6.373 1.00 0.00 N ATOM 0 H LYS A 40 0.702 -8.030 7.468 1.00 0.00 H new ATOM 0 HA LYS A 40 0.269 -9.822 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.246 -7.243 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.887 -8.612 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.026 -9.803 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.581 -8.236 8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.208 -10.139 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.390 -9.968 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.236 -7.746 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.599 -7.529 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.976 -7.881 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.186 -9.166 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.803 -9.375 7.025 1.00 0.00 H new ATOM 430 N VAL A 41 1.017 -6.785 4.361 1.00 0.00 N ATOM 431 CA VAL A 41 1.284 -5.990 3.180 1.00 0.00 C ATOM 432 C VAL A 41 2.588 -6.470 2.529 1.00 0.00 C ATOM 433 O VAL A 41 2.586 -6.669 1.313 1.00 0.00 O ATOM 434 CB VAL A 41 1.230 -4.499 3.560 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.540 -3.574 2.382 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.191 -4.133 4.031 1.00 0.00 C ATOM 0 H VAL A 41 1.188 -6.299 5.242 1.00 0.00 H new ATOM 0 HA VAL A 41 0.523 -6.119 2.410 1.00 0.00 H new ATOM 0 HB VAL A 41 1.980 -4.361 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.487 -2.536 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.542 -3.785 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.813 -3.741 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.225 -3.077 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.902 -4.326 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.453 -4.736 4.900 1.00 0.00 H new ATOM 446 N ARG A 42 3.678 -6.699 3.281 1.00 0.00 N ATOM 447 CA ARG A 42 4.936 -7.169 2.688 1.00 0.00 C ATOM 448 C ARG A 42 4.752 -8.564 2.088 1.00 0.00 C ATOM 449 O ARG A 42 5.323 -8.865 1.042 1.00 0.00 O ATOM 450 CB ARG A 42 6.108 -7.103 3.684 1.00 0.00 C ATOM 451 CG ARG A 42 6.244 -8.322 4.598 1.00 0.00 C ATOM 452 CD ARG A 42 7.112 -8.053 5.811 1.00 0.00 C ATOM 453 NE ARG A 42 8.429 -7.465 5.511 1.00 0.00 N ATOM 454 CZ ARG A 42 9.207 -6.918 6.452 1.00 0.00 C ATOM 455 NH1 ARG A 42 8.977 -7.157 7.738 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.212 -6.125 6.111 1.00 0.00 N ATOM 0 H ARG A 42 3.711 -6.567 4.292 1.00 0.00 H new ATOM 0 HA ARG A 42 5.202 -6.492 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.035 -6.981 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.990 -6.214 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.253 -8.635 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.668 -9.151 4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.575 -7.383 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.262 -8.990 6.348 1.00 0.00 H new ATOM 0 HE ARG A 42 8.761 -7.475 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.203 -7.761 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.574 -6.736 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.396 -5.929 5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.802 -5.711 6.832 1.00 0.00 H new ATOM 470 N GLU A 43 3.963 -9.416 2.741 1.00 0.00 N ATOM 471 CA GLU A 43 3.591 -10.739 2.252 1.00 0.00 C ATOM 472 C GLU A 43 2.841 -10.580 0.929 1.00 0.00 C ATOM 473 O GLU A 43 3.182 -11.212 -0.068 1.00 0.00 O ATOM 474 CB GLU A 43 2.726 -11.426 3.325 1.00 0.00 C ATOM 475 CG GLU A 43 2.178 -12.806 2.933 1.00 0.00 C ATOM 476 CD GLU A 43 3.244 -13.896 2.798 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.339 -13.787 3.385 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.935 -14.927 2.148 1.00 0.00 O ATOM 0 H GLU A 43 3.555 -9.197 3.650 1.00 0.00 H new ATOM 0 HA GLU A 43 4.468 -11.360 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.318 -11.532 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.887 -10.774 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.449 -13.119 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.646 -12.716 1.986 1.00 0.00 H new ATOM 485 N PHE A 44 1.825 -9.716 0.901 1.00 0.00 N ATOM 486 CA PHE A 44 0.973 -9.544 -0.260 1.00 0.00 C ATOM 487 C PHE A 44 1.786 -9.104 -1.478 1.00 0.00 C ATOM 488 O PHE A 44 1.686 -9.727 -2.532 1.00 0.00 O ATOM 489 CB PHE A 44 -0.147 -8.554 0.075 1.00 0.00 C ATOM 490 CG PHE A 44 -1.273 -8.558 -0.923 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.149 -7.862 -2.139 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.454 -9.270 -0.629 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.204 -7.891 -3.054 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.515 -9.278 -1.546 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.381 -8.585 -2.757 1.00 0.00 C ATOM 0 H PHE A 44 1.575 -9.118 1.689 1.00 0.00 H new ATOM 0 HA PHE A 44 0.518 -10.500 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.546 -8.790 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.273 -7.550 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.248 -7.311 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.542 -9.809 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.110 -7.374 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.426 -9.813 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.194 -8.587 -3.467 1.00 0.00 H new ATOM 505 N ILE A 45 2.612 -8.059 -1.354 1.00 0.00 N ATOM 506 CA ILE A 45 3.406 -7.549 -2.481 1.00 0.00 C ATOM 507 C ILE A 45 4.534 -8.506 -2.926 1.00 0.00 C ATOM 508 O ILE A 45 5.184 -8.249 -3.941 1.00 0.00 O ATOM 509 CB ILE A 45 3.922 -6.120 -2.205 1.00 0.00 C ATOM 510 CG1 ILE A 45 5.017 -6.101 -1.117 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.734 -5.188 -1.885 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.590 -4.707 -0.850 1.00 0.00 C ATOM 0 H ILE A 45 2.749 -7.548 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 45 2.727 -7.496 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 45 4.406 -5.741 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.604 -6.499 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.827 -6.767 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.103 -4.181 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.050 -5.166 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.209 -5.558 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.354 -4.770 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.033 -4.315 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.792 -4.043 -0.520 1.00 0.00 H new ATOM 524 N PHE A 46 4.785 -9.602 -2.203 1.00 0.00 N ATOM 525 CA PHE A 46 5.672 -10.691 -2.620 1.00 0.00 C ATOM 526 C PHE A 46 4.929 -11.739 -3.462 1.00 0.00 C ATOM 527 O PHE A 46 5.551 -12.658 -4.007 1.00 0.00 O ATOM 528 CB PHE A 46 6.266 -11.358 -1.369 1.00 0.00 C ATOM 529 CG PHE A 46 7.631 -10.847 -0.960 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.840 -9.478 -0.706 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.681 -11.758 -0.747 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.075 -9.028 -0.211 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.923 -11.306 -0.272 1.00 0.00 C ATOM 534 CZ PHE A 46 10.121 -9.943 0.002 1.00 0.00 C ATOM 0 H PHE A 46 4.365 -9.760 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 46 6.464 -10.271 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.577 -11.215 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.334 -12.431 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.046 -8.770 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.532 -12.808 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.221 -7.980 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.728 -12.009 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.074 -9.599 0.375 1.00 0.00 H new ATOM 544 N LYS A 47 3.603 -11.647 -3.566 1.00 0.00 N ATOM 545 CA LYS A 47 2.718 -12.685 -4.098 1.00 0.00 C ATOM 546 C LYS A 47 1.813 -12.153 -5.195 1.00 0.00 C ATOM 547 O LYS A 47 1.466 -12.871 -6.136 1.00 0.00 O ATOM 548 CB LYS A 47 1.863 -13.206 -2.936 1.00 0.00 C ATOM 549 CG LYS A 47 2.707 -14.076 -2.004 1.00 0.00 C ATOM 550 CD LYS A 47 1.900 -15.037 -1.134 1.00 0.00 C ATOM 551 CE LYS A 47 1.588 -16.292 -1.957 1.00 0.00 C ATOM 552 NZ LYS A 47 1.344 -17.482 -1.124 1.00 0.00 N ATOM 0 H LYS A 47 3.095 -10.814 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 47 3.323 -13.478 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.443 -12.368 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.024 -13.784 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.411 -14.653 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.297 -13.427 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.463 -15.301 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.977 -14.563 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.712 -16.104 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.420 -16.493 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.139 -18.298 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.188 -17.683 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.533 -17.307 -0.497 1.00 0.00 H new ATOM 566 N TYR A 48 1.436 -10.896 -5.074 1.00 0.00 N ATOM 567 CA TYR A 48 0.554 -10.147 -5.942 1.00 0.00 C ATOM 568 C TYR A 48 1.203 -8.763 -6.070 1.00 0.00 C ATOM 569 O TYR A 48 2.279 -8.526 -5.505 1.00 0.00 O ATOM 570 CB TYR A 48 -0.846 -10.109 -5.308 1.00 0.00 C ATOM 571 CG TYR A 48 -1.331 -11.445 -4.756 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.875 -12.413 -5.614 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.107 -11.773 -3.407 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.181 -13.701 -5.134 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.380 -13.061 -2.919 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.925 -14.033 -3.784 1.00 0.00 C ATOM 577 OH TYR A 48 -2.141 -15.293 -3.312 1.00 0.00 O ATOM 0 H TYR A 48 1.769 -10.324 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 48 0.424 -10.583 -6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.845 -9.377 -4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.559 -9.759 -6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.060 -12.169 -6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.719 -11.022 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.612 -14.436 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.174 -13.306 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.907 -15.331 -2.361 1.00 0.00 H new ATOM 587 N SER A 49 0.582 -7.826 -6.780 1.00 0.00 N ATOM 588 CA SER A 49 1.111 -6.477 -6.895 1.00 0.00 C ATOM 589 C SER A 49 0.274 -5.509 -6.050 1.00 0.00 C ATOM 590 O SER A 49 -0.787 -5.851 -5.520 1.00 0.00 O ATOM 591 CB SER A 49 1.269 -6.120 -8.382 1.00 0.00 C ATOM 592 OG SER A 49 2.393 -5.275 -8.561 1.00 0.00 O ATOM 0 H SER A 49 -0.291 -7.980 -7.285 1.00 0.00 H new ATOM 0 HA SER A 49 2.114 -6.397 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.389 -7.029 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.369 -5.623 -8.743 1.00 0.00 H new ATOM 0 HG SER A 49 2.488 -5.054 -9.511 1.00 0.00 H new ATOM 598 N VAL A 50 0.776 -4.288 -5.862 1.00 0.00 N ATOM 599 CA VAL A 50 0.086 -3.268 -5.064 1.00 0.00 C ATOM 600 C VAL A 50 -1.280 -2.909 -5.651 1.00 0.00 C ATOM 601 O VAL A 50 -2.208 -2.655 -4.885 1.00 0.00 O ATOM 602 CB VAL A 50 0.912 -2.014 -4.791 1.00 0.00 C ATOM 603 CG1 VAL A 50 1.976 -2.219 -3.705 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.565 -1.608 -6.075 1.00 0.00 C ATOM 0 H VAL A 50 1.665 -3.978 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.068 -3.737 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 50 0.244 -1.238 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.529 -1.291 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.492 -2.505 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.664 -3.006 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.164 -0.712 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.208 -2.415 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.800 -1.401 -6.823 1.00 0.00 H new ATOM 614 N GLN A 51 -1.399 -2.941 -6.984 1.00 0.00 N ATOM 615 CA GLN A 51 -2.650 -2.804 -7.693 1.00 0.00 C ATOM 616 C GLN A 51 -3.676 -3.732 -7.050 1.00 0.00 C ATOM 617 O GLN A 51 -4.689 -3.237 -6.559 1.00 0.00 O ATOM 618 CB GLN A 51 -2.472 -3.070 -9.198 1.00 0.00 C ATOM 619 CG GLN A 51 -3.811 -3.054 -9.954 1.00 0.00 C ATOM 620 CD GLN A 51 -4.468 -1.689 -10.042 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.011 -0.793 -10.748 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.576 -1.507 -9.357 1.00 0.00 N ATOM 0 H GLN A 51 -0.599 -3.067 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.012 -1.779 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.808 -2.317 -9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.989 -4.037 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.648 -3.430 -10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.499 -3.743 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.945 -2.259 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.066 -0.614 -9.408 1.00 0.00 H new ATOM 631 N ASP A 52 -3.389 -5.039 -7.026 1.00 0.00 N ATOM 632 CA ASP A 52 -4.260 -6.055 -6.441 1.00 0.00 C ATOM 633 C ASP A 52 -4.550 -5.731 -4.987 1.00 0.00 C ATOM 634 O ASP A 52 -5.684 -5.933 -4.561 1.00 0.00 O ATOM 635 CB ASP A 52 -3.638 -7.460 -6.490 1.00 0.00 C ATOM 636 CG ASP A 52 -4.281 -8.374 -7.522 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.016 -8.203 -8.734 1.00 0.00 O ATOM 638 OD2 ASP A 52 -5.024 -9.293 -7.129 1.00 0.00 O ATOM 0 H ASP A 52 -2.530 -5.422 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.174 -6.050 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.574 -7.370 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.723 -7.921 -5.506 1.00 0.00 H new ATOM 643 N LEU A 53 -3.575 -5.237 -4.203 1.00 0.00 N ATOM 644 CA LEU A 53 -3.841 -5.037 -2.780 1.00 0.00 C ATOM 645 C LEU A 53 -4.984 -4.056 -2.587 1.00 0.00 C ATOM 646 O LEU A 53 -5.915 -4.333 -1.836 1.00 0.00 O ATOM 647 CB LEU A 53 -2.586 -4.566 -2.045 1.00 0.00 C ATOM 648 CG LEU A 53 -2.857 -4.182 -0.577 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.417 -5.354 0.239 1.00 0.00 C ATOM 650 CD2 LEU A 53 -1.552 -3.677 0.037 1.00 0.00 C ATOM 0 H LEU A 53 -2.639 -4.981 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.134 -5.995 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.836 -5.356 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.166 -3.707 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.617 -3.401 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.591 -5.032 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.357 -5.687 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.702 -6.176 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.723 -3.400 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.799 -4.464 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.202 -2.807 -0.518 1.00 0.00 H new ATOM 662 N LEU A 54 -4.894 -2.905 -3.244 1.00 0.00 N ATOM 663 CA LEU A 54 -5.868 -1.840 -3.074 1.00 0.00 C ATOM 664 C LEU A 54 -7.210 -2.245 -3.688 1.00 0.00 C ATOM 665 O LEU A 54 -8.230 -1.800 -3.175 1.00 0.00 O ATOM 666 CB LEU A 54 -5.330 -0.537 -3.663 1.00 0.00 C ATOM 667 CG LEU A 54 -3.973 -0.081 -3.095 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.434 1.075 -3.935 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.041 0.316 -1.615 1.00 0.00 C ATOM 0 H LEU A 54 -4.148 -2.687 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.039 -1.670 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.235 -0.655 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.063 0.252 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.295 -0.933 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.474 1.399 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.305 0.746 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.139 1.906 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.053 0.627 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.743 1.140 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.375 -0.537 -1.024 1.00 0.00 H new ATOM 681 N VAL A 55 -7.238 -3.119 -4.709 1.00 0.00 N ATOM 682 CA VAL A 55 -8.475 -3.753 -5.175 1.00 0.00 C ATOM 683 C VAL A 55 -9.073 -4.572 -4.025 1.00 0.00 C ATOM 684 O VAL A 55 -10.216 -4.343 -3.639 1.00 0.00 O ATOM 685 CB VAL A 55 -8.243 -4.613 -6.446 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.520 -5.361 -6.847 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.802 -3.788 -7.667 1.00 0.00 C ATOM 0 H VAL A 55 -6.407 -3.402 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.186 -2.980 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.445 -5.304 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.328 -5.955 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.828 -6.018 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.313 -4.642 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.657 -4.450 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.570 -3.052 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.866 -3.277 -7.442 1.00 0.00 H new ATOM 697 N ARG A 56 -8.315 -5.527 -3.475 1.00 0.00 N ATOM 698 CA ARG A 56 -8.783 -6.472 -2.465 1.00 0.00 C ATOM 699 C ARG A 56 -9.389 -5.757 -1.260 1.00 0.00 C ATOM 700 O ARG A 56 -10.480 -6.123 -0.825 1.00 0.00 O ATOM 701 CB ARG A 56 -7.619 -7.387 -2.044 1.00 0.00 C ATOM 702 CG ARG A 56 -7.503 -8.691 -2.840 1.00 0.00 C ATOM 703 CD ARG A 56 -7.359 -8.579 -4.368 1.00 0.00 C ATOM 704 NE ARG A 56 -7.559 -9.882 -5.019 1.00 0.00 N ATOM 705 CZ ARG A 56 -6.700 -10.909 -5.057 1.00 0.00 C ATOM 706 NH1 ARG A 56 -5.470 -10.804 -4.561 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.086 -12.062 -5.578 1.00 0.00 N ATOM 0 H ARG A 56 -7.337 -5.664 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.577 -7.080 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.686 -6.833 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.732 -7.632 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.642 -9.242 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.386 -9.294 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.085 -7.862 -4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.370 -8.194 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.451 -10.019 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.163 -9.927 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.834 -11.600 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.031 -12.164 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.438 -12.849 -5.611 1.00 0.00 H new ATOM 721 N VAL A 57 -8.699 -4.767 -0.693 1.00 0.00 N ATOM 722 CA VAL A 57 -9.231 -4.073 0.477 1.00 0.00 C ATOM 723 C VAL A 57 -10.408 -3.182 0.106 1.00 0.00 C ATOM 724 O VAL A 57 -11.336 -3.073 0.895 1.00 0.00 O ATOM 725 CB VAL A 57 -8.126 -3.312 1.216 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.429 -2.224 0.406 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.618 -2.726 2.543 1.00 0.00 C ATOM 0 H VAL A 57 -7.791 -4.434 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.616 -4.821 1.170 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.376 -4.080 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.665 -1.747 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.963 -2.668 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.160 -1.479 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.801 -2.196 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.438 -2.033 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.966 -3.532 3.190 1.00 0.00 H new ATOM 737 N ALA A 58 -10.389 -2.555 -1.068 1.00 0.00 N ATOM 738 CA ALA A 58 -11.525 -1.758 -1.529 1.00 0.00 C ATOM 739 C ALA A 58 -12.790 -2.605 -1.607 1.00 0.00 C ATOM 740 O ALA A 58 -13.840 -2.192 -1.110 1.00 0.00 O ATOM 741 CB ALA A 58 -11.256 -1.119 -2.893 1.00 0.00 C ATOM 0 H ALA A 58 -9.602 -2.583 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.668 -0.962 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.124 -0.536 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.386 -0.466 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.065 -1.900 -3.629 1.00 0.00 H new ATOM 747 N GLU A 59 -12.658 -3.788 -2.202 1.00 0.00 N ATOM 748 CA GLU A 59 -13.716 -4.760 -2.390 1.00 0.00 C ATOM 749 C GLU A 59 -14.328 -5.116 -1.030 1.00 0.00 C ATOM 750 O GLU A 59 -15.549 -5.085 -0.852 1.00 0.00 O ATOM 751 CB GLU A 59 -13.112 -5.959 -3.135 1.00 0.00 C ATOM 752 CG GLU A 59 -14.137 -7.004 -3.583 1.00 0.00 C ATOM 753 CD GLU A 59 -13.777 -8.395 -3.057 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.783 -9.004 -3.525 1.00 0.00 O ATOM 755 OE2 GLU A 59 -14.500 -8.900 -2.164 1.00 0.00 O ATOM 0 H GLU A 59 -11.766 -4.104 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.537 -4.372 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.575 -5.595 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.378 -6.441 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.127 -6.722 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.186 -7.026 -4.672 1.00 0.00 H new ATOM 762 N ASP A 60 -13.457 -5.386 -0.055 1.00 0.00 N ATOM 763 CA ASP A 60 -13.795 -5.681 1.335 1.00 0.00 C ATOM 764 C ASP A 60 -14.520 -4.501 2.001 1.00 0.00 C ATOM 765 O ASP A 60 -15.586 -4.661 2.601 1.00 0.00 O ATOM 766 CB ASP A 60 -12.495 -6.014 2.093 1.00 0.00 C ATOM 767 CG ASP A 60 -12.699 -6.755 3.417 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.730 -6.572 4.097 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.713 -7.392 3.876 1.00 0.00 O ATOM 0 H ASP A 60 -12.451 -5.405 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.476 -6.532 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.859 -6.620 1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.958 -5.086 2.290 1.00 0.00 H new ATOM 774 N ARG A 61 -13.922 -3.310 1.918 1.00 0.00 N ATOM 775 CA ARG A 61 -14.280 -2.123 2.691 1.00 0.00 C ATOM 776 C ARG A 61 -15.417 -1.307 2.084 1.00 0.00 C ATOM 777 O ARG A 61 -15.897 -0.406 2.769 1.00 0.00 O ATOM 778 CB ARG A 61 -13.039 -1.224 2.852 1.00 0.00 C ATOM 779 CG ARG A 61 -11.979 -1.764 3.820 1.00 0.00 C ATOM 780 CD ARG A 61 -12.466 -1.566 5.254 1.00 0.00 C ATOM 781 NE ARG A 61 -11.551 -2.126 6.251 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.803 -2.144 7.561 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.880 -1.536 8.050 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.963 -2.786 8.364 1.00 0.00 N ATOM 0 H ARG A 61 -13.142 -3.142 1.283 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.638 -2.482 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.580 -1.083 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.361 -0.242 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.797 -2.821 3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.032 -1.245 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.594 -0.500 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.446 -2.030 5.367 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.671 -2.525 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.521 -1.051 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.065 -1.555 9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.143 -3.253 7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.137 -2.812 9.369 1.00 0.00 H new ATOM 798 N ASN A 62 -15.857 -1.607 0.858 1.00 0.00 N ATOM 799 CA ASN A 62 -16.850 -0.843 0.091 1.00 0.00 C ATOM 800 C ASN A 62 -16.305 0.527 -0.292 1.00 0.00 C ATOM 801 O ASN A 62 -16.929 1.570 -0.081 1.00 0.00 O ATOM 802 CB ASN A 62 -18.175 -0.761 0.846 1.00 0.00 C ATOM 803 CG ASN A 62 -19.365 -0.571 -0.075 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.168 -1.484 -0.265 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.506 0.596 -0.666 1.00 0.00 N ATOM 0 H ASN A 62 -15.517 -2.424 0.350 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.052 -1.370 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.313 -1.672 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.134 0.066 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.292 0.757 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.829 1.339 -0.495 1.00 0.00 H new ATOM 812 N LEU A 63 -15.097 0.504 -0.835 1.00 0.00 N ATOM 813 CA LEU A 63 -14.354 1.655 -1.340 1.00 0.00 C ATOM 814 C LEU A 63 -14.202 1.474 -2.850 1.00 0.00 C ATOM 815 O LEU A 63 -14.887 0.636 -3.434 1.00 0.00 O ATOM 816 CB LEU A 63 -13.023 1.798 -0.574 1.00 0.00 C ATOM 817 CG LEU A 63 -13.197 1.809 0.961 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.823 1.797 1.648 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.973 3.036 1.436 1.00 0.00 C ATOM 0 H LEU A 63 -14.577 -0.367 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.878 2.596 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.363 0.977 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.532 2.721 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.762 0.916 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.957 1.805 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.278 0.899 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.258 2.679 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.073 3.005 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.437 3.940 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.963 3.039 0.980 1.00 0.00 H new ATOM 831 N ASP A 64 -13.313 2.230 -3.496 1.00 0.00 N ATOM 832 CA ASP A 64 -13.091 2.111 -4.941 1.00 0.00 C ATOM 833 C ASP A 64 -11.604 2.291 -5.103 1.00 0.00 C ATOM 834 O ASP A 64 -11.091 3.344 -4.724 1.00 0.00 O ATOM 835 CB ASP A 64 -13.752 3.193 -5.817 1.00 0.00 C ATOM 836 CG ASP A 64 -15.258 3.374 -5.751 1.00 0.00 C ATOM 837 OD1 ASP A 64 -16.003 2.399 -5.979 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.679 4.548 -5.606 1.00 0.00 O ATOM 0 H ASP A 64 -12.732 2.934 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.518 1.162 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.294 4.149 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.491 2.982 -6.854 1.00 0.00 H new ATOM 843 N VAL A 65 -10.909 1.291 -5.641 1.00 0.00 N ATOM 844 CA VAL A 65 -9.453 1.235 -5.754 1.00 0.00 C ATOM 845 C VAL A 65 -8.839 2.533 -6.297 1.00 0.00 C ATOM 846 O VAL A 65 -7.766 2.950 -5.864 1.00 0.00 O ATOM 847 CB VAL A 65 -9.078 -0.020 -6.560 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.702 -0.028 -7.955 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.567 -0.164 -6.696 1.00 0.00 C ATOM 0 H VAL A 65 -11.364 0.463 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.015 1.151 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.478 -0.864 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.405 -0.935 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.788 0.002 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.358 0.843 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.337 -1.061 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.163 0.709 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.118 -0.243 -5.706 1.00 0.00 H new ATOM 859 N GLU A 66 -9.525 3.192 -7.221 1.00 0.00 N ATOM 860 CA GLU A 66 -9.178 4.486 -7.795 1.00 0.00 C ATOM 861 C GLU A 66 -8.939 5.573 -6.731 1.00 0.00 C ATOM 862 O GLU A 66 -8.007 6.369 -6.856 1.00 0.00 O ATOM 863 CB GLU A 66 -10.250 4.888 -8.821 1.00 0.00 C ATOM 864 CG GLU A 66 -11.652 4.857 -8.217 1.00 0.00 C ATOM 865 CD GLU A 66 -12.754 5.063 -9.242 1.00 0.00 C ATOM 866 OE1 GLU A 66 -13.032 4.112 -10.010 1.00 0.00 O ATOM 867 OE2 GLU A 66 -13.378 6.147 -9.227 1.00 0.00 O ATOM 0 H GLU A 66 -10.389 2.816 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.221 4.388 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.038 5.889 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.207 4.212 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.804 3.900 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.728 5.630 -7.452 1.00 0.00 H new ATOM 874 N VAL A 67 -9.724 5.602 -5.659 1.00 0.00 N ATOM 875 CA VAL A 67 -9.576 6.560 -4.574 1.00 0.00 C ATOM 876 C VAL A 67 -8.308 6.215 -3.794 1.00 0.00 C ATOM 877 O VAL A 67 -7.450 7.078 -3.609 1.00 0.00 O ATOM 878 CB VAL A 67 -10.829 6.564 -3.685 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.743 7.697 -2.652 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.124 6.736 -4.497 1.00 0.00 C ATOM 0 H VAL A 67 -10.494 4.948 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.476 7.571 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.863 5.594 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.637 7.689 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.862 7.553 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.669 8.655 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.980 6.732 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.092 7.682 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.219 5.916 -5.208 1.00 0.00 H new ATOM 890 N LEU A 68 -8.126 4.953 -3.373 1.00 0.00 N ATOM 891 CA LEU A 68 -6.928 4.530 -2.700 1.00 0.00 C ATOM 892 C LEU A 68 -5.670 4.828 -3.509 1.00 0.00 C ATOM 893 O LEU A 68 -4.629 5.104 -2.928 1.00 0.00 O ATOM 894 CB LEU A 68 -7.092 3.051 -2.453 1.00 0.00 C ATOM 895 CG LEU A 68 -8.342 2.730 -1.611 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.977 3.785 -0.702 1.00 0.00 C ATOM 897 CD2 LEU A 68 -9.362 1.914 -2.352 1.00 0.00 C ATOM 0 H LEU A 68 -8.816 4.212 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.797 5.078 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.158 2.531 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.207 2.670 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.857 2.123 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.844 3.357 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.249 4.110 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.290 4.640 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.217 1.723 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.692 2.460 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.918 0.966 -2.656 1.00 0.00 H new ATOM 909 N ASN A 69 -5.750 4.800 -4.840 1.00 0.00 N ATOM 910 CA ASN A 69 -4.666 5.224 -5.725 1.00 0.00 C ATOM 911 C ASN A 69 -4.400 6.725 -5.644 1.00 0.00 C ATOM 912 O ASN A 69 -3.231 7.114 -5.639 1.00 0.00 O ATOM 913 CB ASN A 69 -4.914 4.828 -7.187 1.00 0.00 C ATOM 914 CG ASN A 69 -4.480 3.395 -7.411 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.315 3.101 -7.687 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.389 2.467 -7.222 1.00 0.00 N ATOM 0 H ASN A 69 -6.579 4.478 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.782 4.696 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.971 4.940 -7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.363 5.493 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.137 1.482 -7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.348 2.731 -6.994 1.00 0.00 H new ATOM 923 N GLN A 70 -5.433 7.570 -5.584 1.00 0.00 N ATOM 924 CA GLN A 70 -5.254 9.007 -5.409 1.00 0.00 C ATOM 925 C GLN A 70 -4.557 9.291 -4.073 1.00 0.00 C ATOM 926 O GLN A 70 -3.551 10.002 -4.057 1.00 0.00 O ATOM 927 CB GLN A 70 -6.593 9.744 -5.548 1.00 0.00 C ATOM 928 CG GLN A 70 -6.930 10.033 -7.016 1.00 0.00 C ATOM 929 CD GLN A 70 -8.338 10.598 -7.200 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.561 11.803 -7.210 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.337 9.748 -7.369 1.00 0.00 N ATOM 0 H GLN A 70 -6.407 7.277 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.608 9.389 -6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.387 9.144 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.552 10.681 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.204 10.740 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.834 9.114 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.159 8.744 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.286 10.097 -7.507 1.00 0.00 H new ATOM 940 N VAL A 71 -5.009 8.710 -2.958 1.00 0.00 N ATOM 941 CA VAL A 71 -4.314 8.870 -1.683 1.00 0.00 C ATOM 942 C VAL A 71 -2.928 8.212 -1.726 1.00 0.00 C ATOM 943 O VAL A 71 -1.977 8.784 -1.198 1.00 0.00 O ATOM 944 CB VAL A 71 -5.191 8.388 -0.519 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.450 8.528 0.808 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.463 9.244 -0.406 1.00 0.00 C ATOM 0 H VAL A 71 -5.847 8.130 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.135 9.930 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.439 7.346 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.089 8.181 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.540 7.929 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.191 9.574 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.070 8.885 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.187 10.284 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.035 9.170 -1.331 1.00 0.00 H new ATOM 956 N ARG A 72 -2.738 7.065 -2.379 1.00 0.00 N ATOM 957 CA ARG A 72 -1.405 6.479 -2.555 1.00 0.00 C ATOM 958 C ARG A 72 -0.456 7.466 -3.241 1.00 0.00 C ATOM 959 O ARG A 72 0.733 7.476 -2.914 1.00 0.00 O ATOM 960 CB ARG A 72 -1.533 5.153 -3.321 1.00 0.00 C ATOM 961 CG ARG A 72 -0.209 4.492 -3.735 1.00 0.00 C ATOM 962 CD ARG A 72 -0.489 3.119 -4.362 1.00 0.00 C ATOM 963 NE ARG A 72 0.617 2.678 -5.219 1.00 0.00 N ATOM 964 CZ ARG A 72 0.552 2.111 -6.426 1.00 0.00 C ATOM 965 NH1 ARG A 72 -0.604 1.877 -7.038 1.00 0.00 N ATOM 966 NH2 ARG A 72 1.686 1.763 -7.007 1.00 0.00 N ATOM 0 H ARG A 72 -3.492 6.520 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.966 6.265 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.091 4.450 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.126 5.329 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.318 5.127 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.440 4.380 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.653 2.385 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.407 3.167 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 72 1.555 2.823 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.482 2.133 -6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.614 1.442 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.574 1.930 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.674 1.327 -7.929 1.00 0.00 H new ATOM 980 N ALA A 73 -0.970 8.312 -4.144 1.00 0.00 N ATOM 981 CA ALA A 73 -0.162 9.171 -5.000 1.00 0.00 C ATOM 982 C ALA A 73 0.558 10.278 -4.218 1.00 0.00 C ATOM 983 O ALA A 73 1.523 10.856 -4.722 1.00 0.00 O ATOM 984 CB ALA A 73 -1.073 9.796 -6.068 1.00 0.00 C ATOM 0 H ALA A 73 -1.973 8.415 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 73 0.612 8.556 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.482 10.442 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.532 9.006 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.852 10.384 -5.583 1.00 0.00 H new ATOM 990 N GLN A 74 0.093 10.596 -3.007 1.00 0.00 N ATOM 991 CA GLN A 74 0.390 11.835 -2.292 1.00 0.00 C ATOM 992 C GLN A 74 1.153 11.591 -0.977 1.00 0.00 C ATOM 993 O GLN A 74 1.302 12.513 -0.179 1.00 0.00 O ATOM 994 CB GLN A 74 -0.920 12.644 -2.136 1.00 0.00 C ATOM 995 CG GLN A 74 -2.030 11.885 -1.411 1.00 0.00 C ATOM 996 CD GLN A 74 -3.394 12.564 -1.450 1.00 0.00 C ATOM 997 OE1 GLN A 74 -3.822 13.192 -0.483 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.120 12.353 -2.535 1.00 0.00 N ATOM 0 H GLN A 74 -0.522 9.975 -2.481 1.00 0.00 H new ATOM 0 HA GLN A 74 1.084 12.441 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.706 13.564 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.277 12.935 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.121 10.892 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.737 11.747 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.728 11.827 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.071 12.716 -2.591 1.00 0.00 H new