USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 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 Set 1.1: A 36 TYR OH : rot 52:sc= 1.62 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -116:sc= 0.471 (180deg=-1.44) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 31 GLN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 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= -0.385 X(o=-0.39,f=-0.00077) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.32) USER MOD Single : A 70 GLN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.529 K(o=0.53,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.946 2.363 -0.750 1.00 0.00 N ATOM 109 CA ILE A 21 6.604 1.935 -1.127 1.00 0.00 C ATOM 110 C ILE A 21 5.810 1.531 0.113 1.00 0.00 C ATOM 111 O ILE A 21 4.674 1.972 0.281 1.00 0.00 O ATOM 112 CB ILE A 21 6.725 0.762 -2.118 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.299 1.266 -3.465 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.373 0.050 -2.332 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.812 0.162 -4.392 1.00 0.00 C ATOM 0 HA ILE A 21 6.068 2.755 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 21 7.409 0.029 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.525 1.830 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.115 1.959 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.502 -0.771 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.014 -0.342 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.647 0.759 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.195 0.607 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.611 -0.389 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.996 -0.520 -4.632 1.00 0.00 H new ATOM 127 N LEU A 22 6.368 0.656 0.955 1.00 0.00 N ATOM 128 CA LEU A 22 5.680 0.112 2.118 1.00 0.00 C ATOM 129 C LEU A 22 5.170 1.234 3.012 1.00 0.00 C ATOM 130 O LEU A 22 4.029 1.164 3.476 1.00 0.00 O ATOM 131 CB LEU A 22 6.615 -0.854 2.882 1.00 0.00 C ATOM 132 CG LEU A 22 6.689 -2.263 2.258 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.694 -3.177 2.973 1.00 0.00 C ATOM 134 CD2 LEU A 22 5.321 -2.947 2.316 1.00 0.00 C ATOM 0 H LEU A 22 7.319 0.305 0.843 1.00 0.00 H new ATOM 0 HA LEU A 22 4.811 -0.457 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.617 -0.427 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.272 -0.940 3.913 1.00 0.00 H new ATOM 0 HG LEU A 22 7.015 -2.117 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.703 -4.155 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.689 -2.736 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.404 -3.290 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.391 -3.940 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.003 -3.036 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.593 -2.353 1.763 1.00 0.00 H new ATOM 146 N SER A 23 5.978 2.277 3.182 1.00 0.00 N ATOM 147 CA SER A 23 5.592 3.457 3.957 1.00 0.00 C ATOM 148 C SER A 23 4.580 4.330 3.204 1.00 0.00 C ATOM 149 O SER A 23 3.684 4.911 3.815 1.00 0.00 O ATOM 150 CB SER A 23 6.833 4.261 4.353 1.00 0.00 C ATOM 151 OG SER A 23 7.760 3.410 4.997 1.00 0.00 O ATOM 0 H SER A 23 6.917 2.330 2.788 1.00 0.00 H new ATOM 0 HA SER A 23 5.097 3.113 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.287 4.708 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.553 5.079 5.016 1.00 0.00 H new ATOM 0 HG SER A 23 8.555 3.924 5.249 1.00 0.00 H new ATOM 157 N GLY A 24 4.669 4.395 1.873 1.00 0.00 N ATOM 158 CA GLY A 24 3.661 5.018 1.028 1.00 0.00 C ATOM 159 C GLY A 24 2.272 4.446 1.313 1.00 0.00 C ATOM 160 O GLY A 24 1.332 5.205 1.571 1.00 0.00 O ATOM 0 H GLY A 24 5.456 4.010 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.656 6.095 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.914 4.861 -0.021 1.00 0.00 H new ATOM 164 N ILE A 25 2.141 3.116 1.285 1.00 0.00 N ATOM 165 CA ILE A 25 0.880 2.407 1.519 1.00 0.00 C ATOM 166 C ILE A 25 0.398 2.644 2.951 1.00 0.00 C ATOM 167 O ILE A 25 -0.799 2.750 3.177 1.00 0.00 O ATOM 168 CB ILE A 25 1.033 0.893 1.236 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.511 0.664 -0.213 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.295 0.136 1.450 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.686 -0.806 -0.598 1.00 0.00 C ATOM 0 H ILE A 25 2.924 2.490 1.095 1.00 0.00 H new ATOM 0 HA ILE A 25 0.133 2.801 0.830 1.00 0.00 H new ATOM 0 HB ILE A 25 1.772 0.507 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.795 1.122 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.461 1.179 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.147 -0.924 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.623 0.261 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.054 0.536 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.024 -0.874 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.425 -1.268 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.734 -1.326 -0.493 1.00 0.00 H new ATOM 183 N GLU A 26 1.299 2.710 3.920 1.00 0.00 N ATOM 184 CA GLU A 26 0.965 2.853 5.336 1.00 0.00 C ATOM 185 C GLU A 26 0.245 4.171 5.616 1.00 0.00 C ATOM 186 O GLU A 26 -0.806 4.184 6.263 1.00 0.00 O ATOM 187 CB GLU A 26 2.268 2.643 6.101 1.00 0.00 C ATOM 188 CG GLU A 26 2.172 2.534 7.623 1.00 0.00 C ATOM 189 CD GLU A 26 3.349 1.719 8.187 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.379 1.521 7.488 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.201 1.168 9.298 1.00 0.00 O ATOM 0 H GLU A 26 2.303 2.665 3.744 1.00 0.00 H new ATOM 0 HA GLU A 26 0.241 2.110 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.738 1.734 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.937 3.470 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.169 3.531 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.230 2.060 7.900 1.00 0.00 H new ATOM 198 N GLU A 27 0.746 5.256 5.026 1.00 0.00 N ATOM 199 CA GLU A 27 0.107 6.571 5.070 1.00 0.00 C ATOM 200 C GLU A 27 -1.216 6.568 4.285 1.00 0.00 C ATOM 201 O GLU A 27 -2.137 7.334 4.588 1.00 0.00 O ATOM 202 CB GLU A 27 1.086 7.587 4.476 1.00 0.00 C ATOM 203 CG GLU A 27 0.931 9.046 4.936 1.00 0.00 C ATOM 204 CD GLU A 27 1.563 9.348 6.302 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.763 9.715 6.347 1.00 0.00 O ATOM 206 OE2 GLU A 27 0.846 9.301 7.328 1.00 0.00 O ATOM 0 H GLU A 27 1.618 5.246 4.497 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.133 6.834 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.099 7.262 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.988 7.560 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.380 9.700 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.130 9.291 4.978 1.00 0.00 H new ATOM 213 N THR A 28 -1.320 5.711 3.266 1.00 0.00 N ATOM 214 CA THR A 28 -2.555 5.509 2.517 1.00 0.00 C ATOM 215 C THR A 28 -3.603 4.788 3.385 1.00 0.00 C ATOM 216 O THR A 28 -4.747 5.226 3.431 1.00 0.00 O ATOM 217 CB THR A 28 -2.285 4.748 1.202 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.165 5.255 0.497 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.461 4.817 0.226 1.00 0.00 C ATOM 0 H THR A 28 -0.543 5.136 2.939 1.00 0.00 H new ATOM 0 HA THR A 28 -2.960 6.485 2.250 1.00 0.00 H new ATOM 0 HB THR A 28 -2.109 3.722 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.344 5.037 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.214 4.264 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.345 4.378 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.663 5.858 -0.027 1.00 0.00 H new ATOM 227 N PHE A 29 -3.262 3.689 4.066 1.00 0.00 N ATOM 228 CA PHE A 29 -4.220 2.863 4.799 1.00 0.00 C ATOM 229 C PHE A 29 -4.909 3.691 5.887 1.00 0.00 C ATOM 230 O PHE A 29 -6.140 3.711 5.956 1.00 0.00 O ATOM 231 CB PHE A 29 -3.537 1.594 5.352 1.00 0.00 C ATOM 232 CG PHE A 29 -3.585 0.351 4.456 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.429 0.433 3.059 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.818 -0.918 5.022 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.557 -0.713 2.251 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.897 -2.075 4.221 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.764 -1.981 2.824 1.00 0.00 C ATOM 0 H PHE A 29 -2.303 3.347 4.123 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.999 2.522 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.492 1.829 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.000 1.345 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.209 1.386 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.939 -1.006 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.495 -0.617 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.060 -3.038 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.820 -2.864 2.204 1.00 0.00 H new ATOM 247 N ALA A 30 -4.140 4.424 6.693 1.00 0.00 N ATOM 248 CA ALA A 30 -4.680 5.243 7.771 1.00 0.00 C ATOM 249 C ALA A 30 -5.657 6.321 7.284 1.00 0.00 C ATOM 250 O ALA A 30 -6.635 6.617 7.975 1.00 0.00 O ATOM 251 CB ALA A 30 -3.517 5.865 8.531 1.00 0.00 C ATOM 0 H ALA A 30 -3.124 4.464 6.614 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.265 4.598 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.902 6.482 9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.887 5.076 8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.928 6.483 7.853 1.00 0.00 H new ATOM 257 N GLN A 31 -5.461 6.870 6.083 1.00 0.00 N ATOM 258 CA GLN A 31 -6.351 7.861 5.486 1.00 0.00 C ATOM 259 C GLN A 31 -7.750 7.305 5.193 1.00 0.00 C ATOM 260 O GLN A 31 -8.674 8.071 4.943 1.00 0.00 O ATOM 261 CB GLN A 31 -5.687 8.394 4.203 1.00 0.00 C ATOM 262 CG GLN A 31 -5.065 9.771 4.472 1.00 0.00 C ATOM 263 CD GLN A 31 -4.166 10.327 3.374 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.464 11.357 2.773 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.006 9.729 3.141 1.00 0.00 N ATOM 0 H GLN A 31 -4.665 6.633 5.490 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.501 8.670 6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.919 7.698 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.425 8.468 3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.871 10.483 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.485 9.711 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.763 8.874 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.356 10.123 2.461 1.00 0.00 H new ATOM 274 N PHE A 32 -7.924 5.987 5.216 1.00 0.00 N ATOM 275 CA PHE A 32 -9.200 5.306 5.020 1.00 0.00 C ATOM 276 C PHE A 32 -9.602 4.506 6.270 1.00 0.00 C ATOM 277 O PHE A 32 -10.525 3.693 6.212 1.00 0.00 O ATOM 278 CB PHE A 32 -9.086 4.425 3.771 1.00 0.00 C ATOM 279 CG PHE A 32 -9.020 5.159 2.451 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.781 5.581 1.942 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.188 5.358 1.693 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.712 6.171 0.676 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.115 5.953 0.420 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.871 6.357 -0.093 1.00 0.00 C ATOM 0 H PHE A 32 -7.152 5.340 5.378 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.996 6.034 4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.194 3.807 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.941 3.749 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.883 5.450 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.145 5.053 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.756 6.487 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.013 6.099 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.807 6.808 -1.072 1.00 0.00 H new ATOM 294 N SER A 33 -8.911 4.700 7.403 1.00 0.00 N ATOM 295 CA SER A 33 -9.151 3.982 8.657 1.00 0.00 C ATOM 296 C SER A 33 -8.810 2.481 8.533 1.00 0.00 C ATOM 297 O SER A 33 -9.355 1.644 9.266 1.00 0.00 O ATOM 298 CB SER A 33 -10.603 4.238 9.126 1.00 0.00 C ATOM 299 OG SER A 33 -10.666 4.531 10.511 1.00 0.00 O ATOM 0 H SER A 33 -8.152 5.378 7.471 1.00 0.00 H new ATOM 0 HA SER A 33 -8.479 4.366 9.425 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.027 5.067 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.214 3.361 8.912 1.00 0.00 H new ATOM 0 HG SER A 33 -11.598 4.688 10.770 1.00 0.00 H new ATOM 305 N ILE A 34 -7.975 2.100 7.562 1.00 0.00 N ATOM 306 CA ILE A 34 -7.731 0.701 7.238 1.00 0.00 C ATOM 307 C ILE A 34 -6.657 0.186 8.205 1.00 0.00 C ATOM 308 O ILE A 34 -5.606 0.828 8.335 1.00 0.00 O ATOM 309 CB ILE A 34 -7.303 0.540 5.763 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.386 1.079 4.807 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.039 -0.930 5.414 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.958 1.063 3.335 1.00 0.00 C ATOM 0 H ILE A 34 -7.452 2.756 6.982 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.643 0.115 7.353 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.385 1.114 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.291 0.483 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.638 2.100 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.740 -1.008 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.242 -1.317 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.947 -1.511 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.766 1.455 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.070 1.682 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.733 0.040 3.033 1.00 0.00 H new ATOM 324 N PRO A 35 -6.862 -0.981 8.841 1.00 0.00 N ATOM 325 CA PRO A 35 -5.841 -1.636 9.641 1.00 0.00 C ATOM 326 C PRO A 35 -4.652 -1.992 8.747 1.00 0.00 C ATOM 327 O PRO A 35 -4.752 -2.848 7.863 1.00 0.00 O ATOM 328 CB PRO A 35 -6.514 -2.871 10.246 1.00 0.00 C ATOM 329 CG PRO A 35 -7.622 -3.200 9.256 1.00 0.00 C ATOM 330 CD PRO A 35 -8.046 -1.823 8.758 1.00 0.00 C ATOM 0 HA PRO A 35 -5.449 -1.003 10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.812 -3.698 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.913 -2.664 11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.264 -3.832 8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.447 -3.730 9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.415 -1.876 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.854 -1.420 9.368 1.00 0.00 H new ATOM 338 N TYR A 36 -3.535 -1.298 8.947 1.00 0.00 N ATOM 339 CA TYR A 36 -2.270 -1.663 8.336 1.00 0.00 C ATOM 340 C TYR A 36 -1.647 -2.775 9.180 1.00 0.00 C ATOM 341 O TYR A 36 -1.999 -2.965 10.347 1.00 0.00 O ATOM 342 CB TYR A 36 -1.371 -0.423 8.245 1.00 0.00 C ATOM 343 CG TYR A 36 -0.148 -0.612 7.365 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.214 -0.346 5.986 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.067 -1.044 7.921 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.925 -0.474 5.175 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.193 -1.234 7.108 1.00 0.00 C ATOM 348 CZ TYR A 36 2.137 -0.926 5.732 1.00 0.00 C ATOM 349 OH TYR A 36 3.251 -1.012 4.953 1.00 0.00 O ATOM 0 H TYR A 36 -3.486 -0.468 9.538 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.406 -2.033 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.958 0.411 7.860 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.045 -0.148 9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.151 -0.040 5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.134 -1.231 8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.872 -0.226 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.107 -1.618 7.536 1.00 0.00 H new ATOM 0 HH TYR A 36 3.394 -0.159 4.491 1.00 0.00 H new ATOM 359 N ASP A 37 -0.712 -3.518 8.602 1.00 0.00 N ATOM 360 CA ASP A 37 0.206 -4.394 9.308 1.00 0.00 C ATOM 361 C ASP A 37 1.384 -4.564 8.371 1.00 0.00 C ATOM 362 O ASP A 37 1.159 -4.991 7.237 1.00 0.00 O ATOM 363 CB ASP A 37 -0.409 -5.780 9.571 1.00 0.00 C ATOM 364 CG ASP A 37 -1.234 -5.907 10.841 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.767 -5.509 11.932 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.310 -6.547 10.802 1.00 0.00 O ATOM 0 H ASP A 37 -0.569 -3.525 7.592 1.00 0.00 H new ATOM 0 HA ASP A 37 0.470 -3.969 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.040 -6.044 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.397 -6.513 9.609 1.00 0.00 H new ATOM 371 N LYS A 38 2.613 -4.250 8.809 1.00 0.00 N ATOM 372 CA LYS A 38 3.819 -4.412 7.991 1.00 0.00 C ATOM 373 C LYS A 38 3.785 -5.764 7.300 1.00 0.00 C ATOM 374 O LYS A 38 3.792 -5.808 6.076 1.00 0.00 O ATOM 375 CB LYS A 38 5.105 -4.284 8.815 1.00 0.00 C ATOM 376 CG LYS A 38 6.352 -4.453 7.918 1.00 0.00 C ATOM 377 CD LYS A 38 6.430 -3.552 6.668 1.00 0.00 C ATOM 378 CE LYS A 38 6.516 -2.094 7.121 1.00 0.00 C ATOM 379 NZ LYS A 38 5.512 -1.159 6.593 1.00 0.00 N ATOM 0 H LYS A 38 2.796 -3.877 9.741 1.00 0.00 H new ATOM 0 HA LYS A 38 3.826 -3.610 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.133 -3.310 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.114 -5.037 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.237 -4.269 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.400 -5.492 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.301 -3.813 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.553 -3.701 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.453 -2.076 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.502 -1.716 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.982 -0.438 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.824 -1.680 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.018 -0.697 7.383 1.00 0.00 H new ATOM 393 N GLU A 39 3.725 -6.849 8.079 1.00 0.00 N ATOM 394 CA GLU A 39 3.839 -8.212 7.572 1.00 0.00 C ATOM 395 C GLU A 39 2.826 -8.466 6.461 1.00 0.00 C ATOM 396 O GLU A 39 3.173 -8.932 5.380 1.00 0.00 O ATOM 397 CB GLU A 39 3.569 -9.241 8.680 1.00 0.00 C ATOM 398 CG GLU A 39 4.641 -9.350 9.763 1.00 0.00 C ATOM 399 CD GLU A 39 4.571 -10.746 10.378 1.00 0.00 C ATOM 400 OE1 GLU A 39 3.572 -11.063 11.065 1.00 0.00 O ATOM 401 OE2 GLU A 39 5.419 -11.607 10.048 1.00 0.00 O ATOM 0 H GLU A 39 3.594 -6.800 9.089 1.00 0.00 H new ATOM 0 HA GLU A 39 4.856 -8.320 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.621 -8.992 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.446 -10.220 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.629 -9.173 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.484 -8.591 10.529 1.00 0.00 H new ATOM 408 N LYS A 40 1.553 -8.210 6.757 1.00 0.00 N ATOM 409 CA LYS A 40 0.433 -8.653 5.936 1.00 0.00 C ATOM 410 C LYS A 40 0.415 -7.857 4.635 1.00 0.00 C ATOM 411 O LYS A 40 0.042 -8.397 3.595 1.00 0.00 O ATOM 412 CB LYS A 40 -0.902 -8.512 6.699 1.00 0.00 C ATOM 413 CG LYS A 40 -0.838 -8.829 8.206 1.00 0.00 C ATOM 414 CD LYS A 40 -0.578 -10.274 8.634 1.00 0.00 C ATOM 415 CE LYS A 40 -0.194 -10.219 10.123 1.00 0.00 C ATOM 416 NZ LYS A 40 -0.341 -11.532 10.791 1.00 0.00 N ATOM 0 H LYS A 40 1.270 -7.683 7.583 1.00 0.00 H new ATOM 0 HA LYS A 40 0.557 -9.710 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.266 -7.492 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.637 -9.172 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.057 -8.207 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.782 -8.515 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.465 -10.890 8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.223 -10.717 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.837 -9.879 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.819 -9.484 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.071 -11.445 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.330 -11.846 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.275 -12.229 10.326 1.00 0.00 H new ATOM 430 N VAL A 41 0.831 -6.592 4.680 1.00 0.00 N ATOM 431 CA VAL A 41 0.982 -5.736 3.520 1.00 0.00 C ATOM 432 C VAL A 41 2.181 -6.219 2.704 1.00 0.00 C ATOM 433 O VAL A 41 2.010 -6.574 1.539 1.00 0.00 O ATOM 434 CB VAL A 41 1.090 -4.279 4.012 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.609 -3.320 2.939 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.293 -3.816 4.501 1.00 0.00 C ATOM 0 H VAL A 41 1.078 -6.127 5.554 1.00 0.00 H new ATOM 0 HA VAL A 41 0.123 -5.780 2.850 1.00 0.00 H new ATOM 0 HB VAL A 41 1.817 -4.259 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.662 -2.311 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.602 -3.635 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.933 -3.330 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.229 -2.786 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.008 -3.876 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.624 -4.457 5.318 1.00 0.00 H new ATOM 446 N ARG A 42 3.378 -6.257 3.298 1.00 0.00 N ATOM 447 CA ARG A 42 4.643 -6.627 2.688 1.00 0.00 C ATOM 448 C ARG A 42 4.536 -7.973 1.997 1.00 0.00 C ATOM 449 O ARG A 42 4.922 -8.124 0.840 1.00 0.00 O ATOM 450 CB ARG A 42 5.701 -6.547 3.797 1.00 0.00 C ATOM 451 CG ARG A 42 7.050 -7.170 3.466 1.00 0.00 C ATOM 452 CD ARG A 42 7.030 -8.670 3.781 1.00 0.00 C ATOM 453 NE ARG A 42 8.233 -9.048 4.515 1.00 0.00 N ATOM 454 CZ ARG A 42 8.627 -10.272 4.853 1.00 0.00 C ATOM 455 NH1 ARG A 42 8.059 -11.379 4.374 1.00 0.00 N ATOM 456 NH2 ARG A 42 9.613 -10.347 5.724 1.00 0.00 N ATOM 0 H ARG A 42 3.488 -6.013 4.282 1.00 0.00 H new ATOM 0 HA ARG A 42 4.937 -5.950 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.858 -5.498 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.305 -7.034 4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.282 -7.015 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.836 -6.680 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.145 -8.914 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.965 -9.242 2.856 1.00 0.00 H new ATOM 0 HE ARG A 42 8.844 -8.283 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.283 -11.310 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.400 -12.295 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.029 -9.494 6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.961 -11.258 6.024 1.00 0.00 H new ATOM 470 N GLU A 43 3.994 -8.961 2.692 1.00 0.00 N ATOM 471 CA GLU A 43 3.900 -10.289 2.129 1.00 0.00 C ATOM 472 C GLU A 43 2.913 -10.314 0.959 1.00 0.00 C ATOM 473 O GLU A 43 3.180 -10.998 -0.030 1.00 0.00 O ATOM 474 CB GLU A 43 3.537 -11.297 3.226 1.00 0.00 C ATOM 475 CG GLU A 43 3.792 -12.737 2.769 1.00 0.00 C ATOM 476 CD GLU A 43 5.260 -13.171 2.824 1.00 0.00 C ATOM 477 OE1 GLU A 43 6.154 -12.377 2.431 1.00 0.00 O ATOM 478 OE2 GLU A 43 5.472 -14.365 3.126 1.00 0.00 O ATOM 0 H GLU A 43 3.618 -8.866 3.635 1.00 0.00 H new ATOM 0 HA GLU A 43 4.869 -10.580 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.122 -11.089 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.488 -11.180 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.203 -13.412 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.431 -12.849 1.747 1.00 0.00 H new ATOM 485 N PHE A 44 1.799 -9.575 1.046 1.00 0.00 N ATOM 486 CA PHE A 44 0.796 -9.504 -0.009 1.00 0.00 C ATOM 487 C PHE A 44 1.356 -8.793 -1.251 1.00 0.00 C ATOM 488 O PHE A 44 1.259 -9.347 -2.344 1.00 0.00 O ATOM 489 CB PHE A 44 -0.493 -8.867 0.532 1.00 0.00 C ATOM 490 CG PHE A 44 -1.662 -8.901 -0.430 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.687 -8.020 -1.516 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.736 -9.792 -0.251 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.686 -8.123 -2.490 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.805 -9.802 -1.168 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.778 -8.975 -2.306 1.00 0.00 C ATOM 0 H PHE A 44 1.572 -9.006 1.862 1.00 0.00 H new ATOM 0 HA PHE A 44 0.536 -10.511 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.779 -9.380 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.287 -7.830 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.930 -7.255 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.741 -10.469 0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.612 -7.537 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.652 -10.450 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.585 -8.998 -3.023 1.00 0.00 H new ATOM 505 N ILE A 45 1.977 -7.610 -1.120 1.00 0.00 N ATOM 506 CA ILE A 45 2.629 -6.900 -2.234 1.00 0.00 C ATOM 507 C ILE A 45 3.634 -7.781 -2.988 1.00 0.00 C ATOM 508 O ILE A 45 3.731 -7.650 -4.207 1.00 0.00 O ATOM 509 CB ILE A 45 3.216 -5.520 -1.811 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.446 -5.639 -0.904 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.186 -4.597 -1.114 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.367 -4.415 -0.905 1.00 0.00 C ATOM 0 H ILE A 45 2.042 -7.115 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 45 1.841 -6.672 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 45 3.510 -5.068 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.111 -5.823 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.024 -6.511 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.664 -3.654 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.354 -4.403 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.814 -5.083 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.208 -4.592 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.738 -4.240 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.811 -3.541 -0.566 1.00 0.00 H new ATOM 524 N PHE A 46 4.312 -8.707 -2.302 1.00 0.00 N ATOM 525 CA PHE A 46 5.236 -9.646 -2.928 1.00 0.00 C ATOM 526 C PHE A 46 4.547 -10.889 -3.486 1.00 0.00 C ATOM 527 O PHE A 46 5.093 -11.541 -4.379 1.00 0.00 O ATOM 528 CB PHE A 46 6.284 -10.086 -1.907 1.00 0.00 C ATOM 529 CG PHE A 46 7.620 -9.417 -2.126 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.734 -8.026 -1.981 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.723 -10.168 -2.571 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.941 -7.382 -2.290 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.935 -9.524 -2.868 1.00 0.00 C ATOM 534 CZ PHE A 46 10.040 -8.130 -2.740 1.00 0.00 C ATOM 0 H PHE A 46 4.232 -8.823 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 46 5.693 -9.121 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.927 -9.857 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.409 -11.167 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.890 -7.450 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.638 -11.239 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.025 -6.311 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.787 -10.102 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.966 -7.633 -2.988 1.00 0.00 H new ATOM 544 N LYS A 47 3.403 -11.294 -2.936 1.00 0.00 N ATOM 545 CA LYS A 47 2.672 -12.454 -3.424 1.00 0.00 C ATOM 546 C LYS A 47 1.878 -12.127 -4.678 1.00 0.00 C ATOM 547 O LYS A 47 1.737 -13.019 -5.517 1.00 0.00 O ATOM 548 CB LYS A 47 1.720 -12.966 -2.343 1.00 0.00 C ATOM 549 CG LYS A 47 2.395 -14.000 -1.445 1.00 0.00 C ATOM 550 CD LYS A 47 1.404 -14.634 -0.470 1.00 0.00 C ATOM 551 CE LYS A 47 1.040 -13.758 0.727 1.00 0.00 C ATOM 552 NZ LYS A 47 0.972 -14.577 1.950 1.00 0.00 N ATOM 0 H LYS A 47 2.962 -10.827 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 47 3.403 -13.224 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.372 -12.129 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.841 -13.408 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.847 -14.777 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.202 -13.526 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.492 -14.884 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.824 -15.571 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.782 -12.969 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.081 -13.270 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.724 -13.973 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.248 -15.315 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.896 -15.023 2.121 1.00 0.00 H new ATOM 566 N TYR A 48 1.341 -10.913 -4.803 1.00 0.00 N ATOM 567 CA TYR A 48 0.409 -10.609 -5.886 1.00 0.00 C ATOM 568 C TYR A 48 0.869 -9.336 -6.593 1.00 0.00 C ATOM 569 O TYR A 48 1.705 -9.446 -7.491 1.00 0.00 O ATOM 570 CB TYR A 48 -1.031 -10.566 -5.327 1.00 0.00 C ATOM 571 CG TYR A 48 -1.415 -11.783 -4.494 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.798 -12.985 -5.118 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.326 -11.731 -3.088 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.084 -14.126 -4.345 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.618 -12.865 -2.310 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.999 -14.070 -2.936 1.00 0.00 C ATOM 577 OH TYR A 48 -2.248 -15.170 -2.172 1.00 0.00 O ATOM 0 H TYR A 48 1.533 -10.133 -4.175 1.00 0.00 H new ATOM 0 HA TYR A 48 0.400 -11.388 -6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.145 -9.671 -4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.729 -10.474 -6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.873 -13.032 -6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.031 -10.812 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.369 -15.047 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.551 -12.813 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.140 -14.942 -1.225 1.00 0.00 H new ATOM 587 N SER A 49 0.459 -8.156 -6.118 1.00 0.00 N ATOM 588 CA SER A 49 1.011 -6.839 -6.412 1.00 0.00 C ATOM 589 C SER A 49 0.138 -5.766 -5.754 1.00 0.00 C ATOM 590 O SER A 49 -0.912 -6.072 -5.174 1.00 0.00 O ATOM 591 CB SER A 49 1.181 -6.581 -7.920 1.00 0.00 C ATOM 592 OG SER A 49 2.552 -6.445 -8.227 1.00 0.00 O ATOM 0 H SER A 49 -0.326 -8.097 -5.470 1.00 0.00 H new ATOM 0 HA SER A 49 2.017 -6.797 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.750 -7.404 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.643 -5.678 -8.207 1.00 0.00 H new ATOM 0 HG SER A 49 2.658 -6.283 -9.188 1.00 0.00 H new ATOM 598 N VAL A 50 0.602 -4.514 -5.766 1.00 0.00 N ATOM 599 CA VAL A 50 -0.042 -3.359 -5.126 1.00 0.00 C ATOM 600 C VAL A 50 -1.482 -3.134 -5.568 1.00 0.00 C ATOM 601 O VAL A 50 -2.357 -2.908 -4.733 1.00 0.00 O ATOM 602 CB VAL A 50 0.806 -2.094 -5.191 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.181 -2.258 -4.528 1.00 0.00 C ATOM 604 CG2 VAL A 50 0.930 -1.700 -6.631 1.00 0.00 C ATOM 0 H VAL A 50 1.470 -4.265 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.110 -3.622 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 50 0.312 -1.306 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.737 -1.324 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.050 -2.514 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.734 -3.053 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.533 -0.795 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.409 -2.505 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.061 -1.512 -7.044 1.00 0.00 H new ATOM 614 N GLN A 51 -1.705 -3.203 -6.877 1.00 0.00 N ATOM 615 CA GLN A 51 -3.000 -3.009 -7.494 1.00 0.00 C ATOM 616 C GLN A 51 -3.979 -3.985 -6.853 1.00 0.00 C ATOM 617 O GLN A 51 -5.023 -3.557 -6.376 1.00 0.00 O ATOM 618 CB GLN A 51 -2.860 -3.191 -9.014 1.00 0.00 C ATOM 619 CG GLN A 51 -4.159 -2.978 -9.792 1.00 0.00 C ATOM 620 CD GLN A 51 -4.518 -1.507 -9.921 1.00 0.00 C ATOM 621 OE1 GLN A 51 -3.951 -0.802 -10.752 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.444 -1.008 -9.128 1.00 0.00 N ATOM 0 H GLN A 51 -0.965 -3.401 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.387 -2.003 -7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.109 -2.493 -9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.489 -4.196 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.061 -3.414 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.971 -3.506 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.906 -1.607 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.699 -0.023 -9.199 1.00 0.00 H new ATOM 631 N ASP A 52 -3.605 -5.265 -6.772 1.00 0.00 N ATOM 632 CA ASP A 52 -4.460 -6.311 -6.223 1.00 0.00 C ATOM 633 C ASP A 52 -4.780 -6.036 -4.765 1.00 0.00 C ATOM 634 O ASP A 52 -5.900 -6.299 -4.346 1.00 0.00 O ATOM 635 CB ASP A 52 -3.842 -7.709 -6.413 1.00 0.00 C ATOM 636 CG ASP A 52 -4.894 -8.817 -6.431 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.973 -8.624 -7.035 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.627 -9.924 -5.905 1.00 0.00 O ATOM 0 H ASP A 52 -2.696 -5.602 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.397 -6.300 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.281 -7.730 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.131 -7.901 -5.609 1.00 0.00 H new ATOM 643 N LEU A 53 -3.859 -5.451 -3.985 1.00 0.00 N ATOM 644 CA LEU A 53 -4.159 -5.148 -2.586 1.00 0.00 C ATOM 645 C LEU A 53 -5.201 -4.052 -2.490 1.00 0.00 C ATOM 646 O LEU A 53 -6.164 -4.205 -1.744 1.00 0.00 O ATOM 647 CB LEU A 53 -2.860 -4.788 -1.869 1.00 0.00 C ATOM 648 CG LEU A 53 -2.861 -4.438 -0.369 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.778 -2.935 -0.237 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.896 -5.208 0.447 1.00 0.00 C ATOM 0 H LEU A 53 -2.924 -5.185 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.587 -6.021 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.177 -5.627 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.427 -3.938 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.970 -4.814 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.777 -2.662 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.860 -2.579 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.637 -2.479 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.834 -4.905 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.894 -4.992 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.701 -6.277 0.366 1.00 0.00 H new ATOM 662 N LEU A 54 -5.020 -2.962 -3.235 1.00 0.00 N ATOM 663 CA LEU A 54 -5.936 -1.835 -3.173 1.00 0.00 C ATOM 664 C LEU A 54 -7.306 -2.211 -3.730 1.00 0.00 C ATOM 665 O LEU A 54 -8.298 -1.802 -3.132 1.00 0.00 O ATOM 666 CB LEU A 54 -5.343 -0.598 -3.859 1.00 0.00 C ATOM 667 CG LEU A 54 -4.083 -0.058 -3.152 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.516 1.105 -3.966 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.336 0.428 -1.716 1.00 0.00 C ATOM 0 H LEU A 54 -4.245 -2.840 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.082 -1.571 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.095 -0.846 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.098 0.188 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.383 -0.891 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.625 1.493 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.256 0.757 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.263 1.895 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.403 0.793 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.069 1.234 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.715 -0.398 -1.114 1.00 0.00 H new ATOM 681 N VAL A 55 -7.383 -3.021 -4.794 1.00 0.00 N ATOM 682 CA VAL A 55 -8.656 -3.567 -5.263 1.00 0.00 C ATOM 683 C VAL A 55 -9.302 -4.357 -4.130 1.00 0.00 C ATOM 684 O VAL A 55 -10.441 -4.063 -3.771 1.00 0.00 O ATOM 685 CB VAL A 55 -8.513 -4.429 -6.539 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.866 -5.030 -6.957 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.021 -3.619 -7.744 1.00 0.00 C ATOM 0 H VAL A 55 -6.575 -3.311 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.297 -2.732 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.789 -5.202 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.735 -5.631 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.249 -5.659 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.575 -4.226 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.938 -4.273 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.729 -2.819 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.045 -3.189 -7.519 1.00 0.00 H new ATOM 697 N ARG A 56 -8.608 -5.354 -3.569 1.00 0.00 N ATOM 698 CA ARG A 56 -9.121 -6.299 -2.639 1.00 0.00 C ATOM 699 C ARG A 56 -9.611 -5.606 -1.381 1.00 0.00 C ATOM 700 O ARG A 56 -10.743 -5.841 -0.985 1.00 0.00 O ATOM 701 CB ARG A 56 -7.943 -7.241 -2.440 1.00 0.00 C ATOM 702 CG ARG A 56 -8.252 -8.196 -1.329 1.00 0.00 C ATOM 703 CD ARG A 56 -7.841 -9.605 -1.711 1.00 0.00 C ATOM 704 NE ARG A 56 -8.256 -10.555 -0.672 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.585 -11.642 -0.290 1.00 0.00 C ATOM 706 NH1 ARG A 56 -6.561 -12.114 -1.003 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.938 -12.213 0.857 1.00 0.00 N ATOM 0 H ARG A 56 -7.622 -5.510 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.004 -6.845 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.742 -7.789 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.044 -6.672 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.728 -7.891 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.318 -8.170 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.294 -9.877 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.760 -9.652 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.139 -10.366 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.276 -11.641 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.063 -12.947 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.698 -11.818 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.449 -13.046 1.184 1.00 0.00 H new ATOM 721 N VAL A 57 -8.789 -4.787 -0.727 1.00 0.00 N ATOM 722 CA VAL A 57 -9.208 -4.153 0.519 1.00 0.00 C ATOM 723 C VAL A 57 -10.427 -3.262 0.283 1.00 0.00 C ATOM 724 O VAL A 57 -11.308 -3.217 1.133 1.00 0.00 O ATOM 725 CB VAL A 57 -8.019 -3.443 1.190 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.487 -2.205 0.465 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.347 -3.056 2.637 1.00 0.00 C ATOM 0 H VAL A 57 -7.845 -4.550 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.534 -4.912 1.231 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.225 -4.189 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.651 -1.786 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.150 -2.485 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.280 -1.461 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.487 -2.556 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.204 -2.383 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.583 -3.953 3.209 1.00 0.00 H new ATOM 737 N ALA A 58 -10.490 -2.562 -0.849 1.00 0.00 N ATOM 738 CA ALA A 58 -11.656 -1.768 -1.212 1.00 0.00 C ATOM 739 C ALA A 58 -12.897 -2.632 -1.381 1.00 0.00 C ATOM 740 O ALA A 58 -13.918 -2.344 -0.756 1.00 0.00 O ATOM 741 CB ALA A 58 -11.386 -0.997 -2.506 1.00 0.00 C ATOM 0 H ALA A 58 -9.736 -2.531 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.842 -1.067 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.264 -0.407 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.533 -0.334 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.168 -1.700 -3.310 1.00 0.00 H new ATOM 747 N GLU A 59 -12.787 -3.662 -2.216 1.00 0.00 N ATOM 748 CA GLU A 59 -13.809 -4.642 -2.548 1.00 0.00 C ATOM 749 C GLU A 59 -14.361 -5.264 -1.260 1.00 0.00 C ATOM 750 O GLU A 59 -15.575 -5.407 -1.097 1.00 0.00 O ATOM 751 CB GLU A 59 -13.155 -5.673 -3.482 1.00 0.00 C ATOM 752 CG GLU A 59 -14.056 -6.793 -4.007 1.00 0.00 C ATOM 753 CD GLU A 59 -13.201 -7.965 -4.503 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.367 -7.786 -5.423 1.00 0.00 O ATOM 755 OE2 GLU A 59 -13.260 -9.067 -3.907 1.00 0.00 O ATOM 0 H GLU A 59 -11.915 -3.844 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.662 -4.195 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.739 -5.141 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.318 -6.129 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.728 -7.131 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.680 -6.419 -4.818 1.00 0.00 H new ATOM 762 N ASP A 60 -13.471 -5.582 -0.320 1.00 0.00 N ATOM 763 CA ASP A 60 -13.789 -6.168 0.973 1.00 0.00 C ATOM 764 C ASP A 60 -14.505 -5.161 1.878 1.00 0.00 C ATOM 765 O ASP A 60 -15.451 -5.516 2.580 1.00 0.00 O ATOM 766 CB ASP A 60 -12.500 -6.644 1.664 1.00 0.00 C ATOM 767 CG ASP A 60 -12.743 -7.804 2.636 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.907 -8.103 2.997 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.745 -8.431 3.075 1.00 0.00 O ATOM 0 H ASP A 60 -12.470 -5.431 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.454 -7.015 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.780 -6.955 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.053 -5.810 2.205 1.00 0.00 H new ATOM 774 N ARG A 61 -14.050 -3.902 1.897 1.00 0.00 N ATOM 775 CA ARG A 61 -14.576 -2.862 2.779 1.00 0.00 C ATOM 776 C ARG A 61 -15.845 -2.265 2.194 1.00 0.00 C ATOM 777 O ARG A 61 -16.929 -2.781 2.472 1.00 0.00 O ATOM 778 CB ARG A 61 -13.478 -1.827 3.064 1.00 0.00 C ATOM 779 CG ARG A 61 -12.484 -2.410 4.082 1.00 0.00 C ATOM 780 CD ARG A 61 -12.173 -1.413 5.196 1.00 0.00 C ATOM 781 NE ARG A 61 -11.689 -2.064 6.425 1.00 0.00 N ATOM 782 CZ ARG A 61 -10.713 -2.966 6.567 1.00 0.00 C ATOM 783 NH1 ARG A 61 -9.878 -3.239 5.574 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.563 -3.608 7.714 1.00 0.00 N ATOM 0 H ARG A 61 -13.297 -3.577 1.291 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.863 -3.288 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.960 -1.565 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.919 -0.909 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.897 -3.322 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.561 -2.688 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.422 -0.705 4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.071 -0.838 5.424 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.163 -1.789 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.974 -2.757 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.140 -3.931 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.193 -3.415 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.817 -4.296 7.820 1.00 0.00 H new ATOM 798 N ASN A 62 -15.710 -1.261 1.330 1.00 0.00 N ATOM 799 CA ASN A 62 -16.733 -0.640 0.479 1.00 0.00 C ATOM 800 C ASN A 62 -16.110 0.490 -0.354 1.00 0.00 C ATOM 801 O ASN A 62 -16.811 1.387 -0.820 1.00 0.00 O ATOM 802 CB ASN A 62 -17.896 -0.053 1.305 1.00 0.00 C ATOM 803 CG ASN A 62 -19.198 -0.154 0.517 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.795 -1.221 0.448 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.656 0.902 -0.132 1.00 0.00 N ATOM 0 H ASN A 62 -14.801 -0.819 1.192 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.127 -1.424 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.990 -0.590 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.689 0.989 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.507 0.828 -0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.159 1.791 -0.075 1.00 0.00 H new ATOM 812 N LEU A 63 -14.783 0.565 -0.417 1.00 0.00 N ATOM 813 CA LEU A 63 -14.048 1.706 -0.975 1.00 0.00 C ATOM 814 C LEU A 63 -14.004 1.576 -2.501 1.00 0.00 C ATOM 815 O LEU A 63 -14.579 0.640 -3.053 1.00 0.00 O ATOM 816 CB LEU A 63 -12.633 1.796 -0.363 1.00 0.00 C ATOM 817 CG LEU A 63 -12.598 1.770 1.180 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.161 1.608 1.686 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.241 3.034 1.754 1.00 0.00 C ATOM 0 H LEU A 63 -14.173 -0.178 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.561 2.634 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.034 0.967 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.160 2.715 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.175 0.911 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.159 1.592 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.745 0.674 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.555 2.443 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.207 2.997 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.696 3.911 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.278 3.096 1.425 1.00 0.00 H new ATOM 831 N ASP A 64 -13.305 2.474 -3.195 1.00 0.00 N ATOM 832 CA ASP A 64 -12.967 2.304 -4.603 1.00 0.00 C ATOM 833 C ASP A 64 -11.452 2.362 -4.716 1.00 0.00 C ATOM 834 O ASP A 64 -10.811 3.220 -4.096 1.00 0.00 O ATOM 835 CB ASP A 64 -13.609 3.406 -5.448 1.00 0.00 C ATOM 836 CG ASP A 64 -13.484 3.190 -6.956 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.803 2.237 -7.392 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.095 3.988 -7.698 1.00 0.00 O ATOM 0 H ASP A 64 -12.957 3.344 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.343 1.350 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.665 3.479 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.151 4.361 -5.189 1.00 0.00 H new ATOM 843 N VAL A 65 -10.881 1.458 -5.503 1.00 0.00 N ATOM 844 CA VAL A 65 -9.471 1.449 -5.848 1.00 0.00 C ATOM 845 C VAL A 65 -9.061 2.764 -6.516 1.00 0.00 C ATOM 846 O VAL A 65 -7.958 3.249 -6.282 1.00 0.00 O ATOM 847 CB VAL A 65 -9.159 0.198 -6.677 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.924 0.172 -7.998 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.655 0.057 -6.919 1.00 0.00 C ATOM 0 H VAL A 65 -11.403 0.692 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.861 1.389 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.496 -0.658 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.669 -0.734 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.995 0.185 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.655 1.046 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.464 -0.839 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.290 0.931 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.138 -0.022 -5.962 1.00 0.00 H new ATOM 859 N GLU A 66 -9.950 3.391 -7.284 1.00 0.00 N ATOM 860 CA GLU A 66 -9.658 4.630 -7.991 1.00 0.00 C ATOM 861 C GLU A 66 -9.412 5.771 -7.000 1.00 0.00 C ATOM 862 O GLU A 66 -8.527 6.606 -7.192 1.00 0.00 O ATOM 863 CB GLU A 66 -10.823 4.943 -8.936 1.00 0.00 C ATOM 864 CG GLU A 66 -11.115 3.813 -9.937 1.00 0.00 C ATOM 865 CD GLU A 66 -9.954 3.588 -10.907 1.00 0.00 C ATOM 866 OE1 GLU A 66 -8.949 2.933 -10.538 1.00 0.00 O ATOM 867 OE2 GLU A 66 -10.011 4.141 -12.031 1.00 0.00 O ATOM 0 H GLU A 66 -10.899 3.049 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.747 4.518 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.719 5.136 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.600 5.857 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.316 2.890 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.016 4.053 -10.501 1.00 0.00 H new ATOM 874 N VAL A 67 -10.149 5.784 -5.891 1.00 0.00 N ATOM 875 CA VAL A 67 -9.973 6.778 -4.841 1.00 0.00 C ATOM 876 C VAL A 67 -8.729 6.429 -4.011 1.00 0.00 C ATOM 877 O VAL A 67 -7.979 7.312 -3.592 1.00 0.00 O ATOM 878 CB VAL A 67 -11.268 6.865 -4.014 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.185 8.015 -3.006 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.502 7.113 -4.907 1.00 0.00 C ATOM 0 H VAL A 67 -10.885 5.104 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.796 7.770 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.375 5.909 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.109 8.061 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.345 7.848 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.041 8.955 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.396 7.168 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.377 8.051 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.606 6.295 -5.620 1.00 0.00 H new ATOM 890 N LEU A 68 -8.454 5.138 -3.808 1.00 0.00 N ATOM 891 CA LEU A 68 -7.233 4.700 -3.140 1.00 0.00 C ATOM 892 C LEU A 68 -5.997 5.091 -3.940 1.00 0.00 C ATOM 893 O LEU A 68 -5.000 5.475 -3.340 1.00 0.00 O ATOM 894 CB LEU A 68 -7.251 3.185 -2.928 1.00 0.00 C ATOM 895 CG LEU A 68 -8.182 2.778 -1.775 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.534 1.297 -1.868 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.504 2.999 -0.424 1.00 0.00 C ATOM 0 H LEU A 68 -9.067 4.376 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.190 5.197 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.574 2.694 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.240 2.836 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.078 3.393 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.194 1.027 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.038 1.102 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.622 0.702 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.183 2.704 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.596 2.398 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.249 4.053 -0.313 1.00 0.00 H new ATOM 909 N ASN A 69 -6.050 5.008 -5.270 1.00 0.00 N ATOM 910 CA ASN A 69 -4.964 5.378 -6.173 1.00 0.00 C ATOM 911 C ASN A 69 -4.596 6.842 -6.001 1.00 0.00 C ATOM 912 O ASN A 69 -3.416 7.176 -5.965 1.00 0.00 O ATOM 913 CB ASN A 69 -5.368 5.147 -7.631 1.00 0.00 C ATOM 914 CG ASN A 69 -5.137 3.727 -8.103 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.073 3.149 -7.879 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.120 3.166 -8.777 1.00 0.00 N ATOM 0 H ASN A 69 -6.877 4.670 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.107 4.752 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.423 5.395 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.806 5.829 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.016 2.217 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.985 3.681 -8.940 1.00 0.00 H new ATOM 923 N GLN A 70 -5.593 7.715 -5.874 1.00 0.00 N ATOM 924 CA GLN A 70 -5.376 9.126 -5.594 1.00 0.00 C ATOM 925 C GLN A 70 -4.600 9.315 -4.284 1.00 0.00 C ATOM 926 O GLN A 70 -3.612 10.057 -4.266 1.00 0.00 O ATOM 927 CB GLN A 70 -6.724 9.843 -5.605 1.00 0.00 C ATOM 928 CG GLN A 70 -7.251 9.999 -7.036 1.00 0.00 C ATOM 929 CD GLN A 70 -8.730 10.351 -7.055 1.00 0.00 C ATOM 930 OE1 GLN A 70 -9.115 11.507 -6.908 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.592 9.376 -7.275 1.00 0.00 N ATOM 0 H GLN A 70 -6.576 7.459 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.753 9.573 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.443 9.282 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.622 10.825 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.685 10.776 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.090 9.072 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.260 8.419 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.590 9.579 -7.324 1.00 0.00 H new ATOM 940 N VAL A 71 -4.965 8.626 -3.194 1.00 0.00 N ATOM 941 CA VAL A 71 -4.120 8.630 -1.997 1.00 0.00 C ATOM 942 C VAL A 71 -2.758 7.961 -2.279 1.00 0.00 C ATOM 943 O VAL A 71 -1.750 8.449 -1.771 1.00 0.00 O ATOM 944 CB VAL A 71 -4.867 8.090 -0.770 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.019 8.249 0.494 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.157 8.882 -0.495 1.00 0.00 C ATOM 0 H VAL A 71 -5.818 8.072 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.883 9.661 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.085 7.045 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.568 7.860 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.087 7.696 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.798 9.304 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.657 8.470 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.910 9.928 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.819 8.810 -1.358 1.00 0.00 H new ATOM 956 N ARG A 72 -2.652 6.946 -3.149 1.00 0.00 N ATOM 957 CA ARG A 72 -1.391 6.299 -3.553 1.00 0.00 C ATOM 958 C ARG A 72 -0.443 7.182 -4.380 1.00 0.00 C ATOM 959 O ARG A 72 0.606 6.721 -4.834 1.00 0.00 O ATOM 960 CB ARG A 72 -1.678 5.011 -4.340 1.00 0.00 C ATOM 961 CG ARG A 72 -0.667 3.962 -3.889 1.00 0.00 C ATOM 962 CD ARG A 72 -0.609 2.737 -4.810 1.00 0.00 C ATOM 963 NE ARG A 72 0.574 2.797 -5.682 1.00 0.00 N ATOM 964 CZ ARG A 72 0.813 2.143 -6.823 1.00 0.00 C ATOM 965 NH1 ARG A 72 -0.116 1.429 -7.451 1.00 0.00 N ATOM 966 NH2 ARG A 72 2.037 2.203 -7.334 1.00 0.00 N ATOM 0 H ARG A 72 -3.467 6.538 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.877 6.087 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.696 4.667 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.592 5.190 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.322 4.418 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.918 3.637 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.580 1.827 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.513 2.690 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 72 1.316 3.425 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.057 1.364 -7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.113 0.946 -8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.763 2.737 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.251 1.715 -8.204 1.00 0.00 H new ATOM 980 N ALA A 73 -0.826 8.431 -4.613 1.00 0.00 N ATOM 981 CA ALA A 73 0.027 9.454 -5.204 1.00 0.00 C ATOM 982 C ALA A 73 0.726 10.317 -4.144 1.00 0.00 C ATOM 983 O ALA A 73 1.863 10.754 -4.338 1.00 0.00 O ATOM 984 CB ALA A 73 -0.816 10.348 -6.121 1.00 0.00 C ATOM 0 H ALA A 73 -1.762 8.769 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 73 0.805 8.947 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.181 11.115 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.261 9.743 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.606 10.823 -5.540 1.00 0.00 H new ATOM 990 N GLN A 74 0.031 10.653 -3.056 1.00 0.00 N ATOM 991 CA GLN A 74 0.326 11.851 -2.275 1.00 0.00 C ATOM 992 C GLN A 74 1.199 11.604 -1.036 1.00 0.00 C ATOM 993 O GLN A 74 1.692 12.579 -0.475 1.00 0.00 O ATOM 994 CB GLN A 74 -0.983 12.611 -1.986 1.00 0.00 C ATOM 995 CG GLN A 74 -2.019 11.828 -1.171 1.00 0.00 C ATOM 996 CD GLN A 74 -3.423 12.424 -1.274 1.00 0.00 C ATOM 997 OE1 GLN A 74 -3.895 13.095 -0.358 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.128 12.158 -2.360 1.00 0.00 N ATOM 0 H GLN A 74 -0.749 10.104 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 74 0.963 12.495 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.742 13.530 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.434 12.902 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.041 10.794 -1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.713 11.808 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.719 11.600 -3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.081 12.511 -2.449 1.00 0.00 H new