USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 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 48 THR OG1 : rot 180:sc= -0.174 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 K(o=-0.17,f=-1.3!) USER MOD Set 2.1: A 45 SER OG : rot -95:sc= 0.419 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= -1.88! USER MOD Set 3.1: A 18 SER OG : rot 116:sc= -1! USER MOD Set 3.2: A 19 HIS : no HD1:sc= -4.34! C(o=-5.3!,f=-6.7!) USER MOD Single : A 13 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-6.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 58:sc= -0.361! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= 0.0389 (180deg=-1.75) USER MOD Single : A 44 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.0326 K(o=-0.033,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -0.821 -3.056 18.243 1.00 0.00 N ATOM 98 CA LEU A 8 0.512 -3.509 18.734 1.00 0.00 C ATOM 99 C LEU A 8 0.345 -4.421 19.953 1.00 0.00 C ATOM 100 O LEU A 8 -0.561 -4.253 20.744 1.00 0.00 O ATOM 101 CB LEU A 8 1.249 -2.226 19.121 1.00 0.00 C ATOM 102 CG LEU A 8 1.340 -1.303 17.904 1.00 0.00 C ATOM 103 CD1 LEU A 8 2.242 -0.111 18.235 1.00 0.00 C ATOM 104 CD2 LEU A 8 1.929 -2.075 16.722 1.00 0.00 C ATOM 0 HA LEU A 8 1.056 -4.081 17.982 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.724 -1.723 19.933 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.248 -2.464 19.486 1.00 0.00 H new ATOM 0 HG LEU A 8 0.344 -0.944 17.644 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.308 0.547 17.369 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.823 0.439 19.078 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.238 -0.470 18.494 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.994 -1.418 15.855 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.925 -2.433 16.982 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.288 -2.924 16.486 1.00 0.00 H new ATOM 116 N VAL A 9 1.212 -5.384 20.109 1.00 0.00 N ATOM 117 CA VAL A 9 1.100 -6.305 21.277 1.00 0.00 C ATOM 118 C VAL A 9 2.469 -6.898 21.620 1.00 0.00 C ATOM 119 O VAL A 9 3.433 -6.716 20.904 1.00 0.00 O ATOM 120 CB VAL A 9 0.142 -7.409 20.829 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.294 -6.880 20.851 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.500 -7.854 19.408 1.00 0.00 C ATOM 0 H VAL A 9 1.992 -5.573 19.480 1.00 0.00 H new ATOM 0 HA VAL A 9 0.741 -5.790 22.168 1.00 0.00 H new ATOM 0 HB VAL A 9 0.227 -8.258 21.507 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.977 -7.667 20.532 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.551 -6.566 21.863 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.379 -6.030 20.174 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.184 -8.641 19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.417 -7.005 18.729 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.522 -8.233 19.392 1.00 0.00 H new ATOM 132 N ILE A 10 2.558 -7.609 22.710 1.00 0.00 N ATOM 133 CA ILE A 10 3.862 -8.219 23.099 1.00 0.00 C ATOM 134 C ILE A 10 3.768 -9.744 23.023 1.00 0.00 C ATOM 135 O ILE A 10 2.762 -10.331 23.370 1.00 0.00 O ATOM 136 CB ILE A 10 4.096 -7.764 24.540 1.00 0.00 C ATOM 137 CG1 ILE A 10 4.000 -6.240 24.617 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.488 -8.211 24.994 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.024 -5.801 26.084 1.00 0.00 C ATOM 0 H ILE A 10 1.785 -7.794 23.349 1.00 0.00 H new ATOM 0 HA ILE A 10 4.677 -7.917 22.441 1.00 0.00 H new ATOM 0 HB ILE A 10 3.341 -8.208 25.189 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.830 -5.785 24.076 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.082 -5.898 24.139 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.657 -7.888 26.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.557 -9.297 24.940 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.243 -7.767 24.345 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.956 -4.715 26.140 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.179 -6.245 26.611 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.954 -6.130 26.547 1.00 0.00 H new ATOM 151 N ALA A 11 4.807 -10.393 22.574 1.00 0.00 N ATOM 152 CA ALA A 11 4.768 -11.880 22.477 1.00 0.00 C ATOM 153 C ALA A 11 5.040 -12.504 23.847 1.00 0.00 C ATOM 154 O ALA A 11 6.134 -12.427 24.368 1.00 0.00 O ATOM 155 CB ALA A 11 5.882 -12.241 21.494 1.00 0.00 C ATOM 0 H ALA A 11 5.679 -9.960 22.271 1.00 0.00 H new ATOM 0 HA ALA A 11 3.797 -12.248 22.146 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.919 -13.323 21.368 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.685 -11.770 20.531 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.838 -11.888 21.882 1.00 0.00 H new ATOM 161 N LEU A 12 4.057 -13.131 24.433 1.00 0.00 N ATOM 162 CA LEU A 12 4.273 -13.765 25.763 1.00 0.00 C ATOM 163 C LEU A 12 5.257 -14.927 25.622 1.00 0.00 C ATOM 164 O LEU A 12 5.966 -15.274 26.545 1.00 0.00 O ATOM 165 CB LEU A 12 2.897 -14.273 26.194 1.00 0.00 C ATOM 166 CG LEU A 12 2.961 -14.746 27.647 1.00 0.00 C ATOM 167 CD1 LEU A 12 3.111 -13.536 28.571 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.675 -15.497 27.996 1.00 0.00 C ATOM 0 H LEU A 12 3.117 -13.231 24.050 1.00 0.00 H new ATOM 0 HA LEU A 12 4.690 -13.072 26.494 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.156 -13.480 26.091 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.581 -15.091 25.547 1.00 0.00 H new ATOM 0 HG LEU A 12 3.816 -15.410 27.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.157 -13.873 29.607 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.027 -13.000 28.323 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.256 -12.872 28.443 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.720 -15.834 29.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.820 -14.833 27.868 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.567 -16.359 27.338 1.00 0.00 H new ATOM 180 N HIS A 13 5.301 -15.529 24.466 1.00 0.00 N ATOM 181 CA HIS A 13 6.233 -16.670 24.248 1.00 0.00 C ATOM 182 C HIS A 13 6.645 -16.730 22.775 1.00 0.00 C ATOM 183 O HIS A 13 5.943 -16.252 21.907 1.00 0.00 O ATOM 184 CB HIS A 13 5.428 -17.909 24.631 1.00 0.00 C ATOM 185 CG HIS A 13 5.067 -17.841 26.089 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.026 -17.748 27.085 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.855 -17.848 26.734 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.381 -17.703 28.266 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.056 -17.762 28.109 1.00 0.00 N ATOM 0 H HIS A 13 4.729 -15.278 23.660 1.00 0.00 H new ATOM 0 HA HIS A 13 7.148 -16.582 24.833 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.525 -17.971 24.024 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.009 -18.809 24.431 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.892 -17.911 26.249 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.875 -17.628 29.224 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.344 -17.747 28.839 1.00 0.00 H new ATOM 197 N SER A 14 7.775 -17.312 22.484 1.00 0.00 N ATOM 198 CA SER A 14 8.219 -17.397 21.063 1.00 0.00 C ATOM 199 C SER A 14 7.297 -18.337 20.281 1.00 0.00 C ATOM 200 O SER A 14 6.824 -19.327 20.801 1.00 0.00 O ATOM 201 CB SER A 14 9.638 -17.962 21.122 1.00 0.00 C ATOM 202 OG SER A 14 9.583 -19.351 21.412 1.00 0.00 O ATOM 0 H SER A 14 8.408 -17.731 23.165 1.00 0.00 H new ATOM 0 HA SER A 14 8.189 -16.430 20.561 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.146 -17.798 20.172 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.216 -17.443 21.886 1.00 0.00 H new ATOM 0 HG SER A 14 10.493 -19.714 21.448 1.00 0.00 H new ATOM 208 N TYR A 15 7.033 -18.038 19.036 1.00 0.00 N ATOM 209 CA TYR A 15 6.138 -18.925 18.239 1.00 0.00 C ATOM 210 C TYR A 15 6.965 -19.938 17.443 1.00 0.00 C ATOM 211 O TYR A 15 8.111 -19.698 17.115 1.00 0.00 O ATOM 212 CB TYR A 15 5.384 -17.989 17.295 1.00 0.00 C ATOM 213 CG TYR A 15 4.435 -18.797 16.442 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.550 -19.699 17.043 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.444 -18.646 15.051 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.672 -20.452 16.251 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.567 -19.398 14.259 1.00 0.00 C ATOM 218 CZ TYR A 15 2.681 -20.300 14.860 1.00 0.00 C ATOM 219 OH TYR A 15 1.818 -21.042 14.079 1.00 0.00 O ATOM 0 H TYR A 15 7.396 -17.224 18.540 1.00 0.00 H new ATOM 0 HA TYR A 15 5.459 -19.497 18.871 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.832 -17.244 17.868 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.088 -17.447 16.663 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.543 -19.815 18.117 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.127 -17.950 14.588 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.989 -21.149 16.714 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.574 -19.282 13.185 1.00 0.00 H new ATOM 0 HH TYR A 15 0.894 -20.867 14.356 1.00 0.00 H new ATOM 229 N GLU A 16 6.393 -21.070 17.131 1.00 0.00 N ATOM 230 CA GLU A 16 7.147 -22.099 16.358 1.00 0.00 C ATOM 231 C GLU A 16 6.571 -22.226 14.943 1.00 0.00 C ATOM 232 O GLU A 16 5.842 -23.153 14.651 1.00 0.00 O ATOM 233 CB GLU A 16 6.951 -23.400 17.135 1.00 0.00 C ATOM 234 CG GLU A 16 8.011 -24.417 16.705 1.00 0.00 C ATOM 235 CD GLU A 16 9.405 -23.833 16.939 1.00 0.00 C ATOM 236 OE1 GLU A 16 9.630 -23.302 18.015 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.223 -23.923 16.039 1.00 0.00 O ATOM 0 H GLU A 16 5.437 -21.327 17.378 1.00 0.00 H new ATOM 0 HA GLU A 16 8.201 -21.844 16.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.026 -23.211 18.206 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.953 -23.799 16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.893 -25.342 17.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.883 -24.668 15.652 1.00 0.00 H new ATOM 244 N PRO A 17 6.924 -21.284 14.114 1.00 0.00 N ATOM 245 CA PRO A 17 6.418 -21.321 12.716 1.00 0.00 C ATOM 246 C PRO A 17 6.456 -22.751 12.172 1.00 0.00 C ATOM 247 O PRO A 17 7.483 -23.235 11.740 1.00 0.00 O ATOM 248 CB PRO A 17 7.385 -20.425 11.949 1.00 0.00 C ATOM 249 CG PRO A 17 8.646 -20.455 12.747 1.00 0.00 C ATOM 250 CD PRO A 17 8.249 -20.649 14.185 1.00 0.00 C ATOM 0 HA PRO A 17 5.384 -20.988 12.631 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.548 -20.795 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.998 -19.410 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.295 -21.265 12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.204 -19.527 12.622 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.964 -21.279 14.714 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.207 -19.699 14.718 1.00 0.00 H new ATOM 258 N SER A 18 5.342 -23.432 12.189 1.00 0.00 N ATOM 259 CA SER A 18 5.316 -24.831 11.672 1.00 0.00 C ATOM 260 C SER A 18 5.177 -24.830 10.147 1.00 0.00 C ATOM 261 O SER A 18 4.971 -25.858 9.532 1.00 0.00 O ATOM 262 CB SER A 18 4.087 -25.470 12.322 1.00 0.00 C ATOM 263 OG SER A 18 2.912 -24.831 11.845 1.00 0.00 O ATOM 0 H SER A 18 4.450 -23.081 12.538 1.00 0.00 H new ATOM 0 HA SER A 18 6.231 -25.375 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.053 -26.535 12.092 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.148 -25.380 13.407 1.00 0.00 H new ATOM 0 HG SER A 18 2.371 -25.474 11.341 1.00 0.00 H new ATOM 269 N HIS A 19 5.291 -23.684 9.532 1.00 0.00 N ATOM 270 CA HIS A 19 5.166 -23.619 8.048 1.00 0.00 C ATOM 271 C HIS A 19 6.048 -22.498 7.492 1.00 0.00 C ATOM 272 O HIS A 19 6.498 -21.633 8.216 1.00 0.00 O ATOM 273 CB HIS A 19 3.690 -23.320 7.787 1.00 0.00 C ATOM 274 CG HIS A 19 2.841 -24.366 8.454 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.913 -25.706 8.109 1.00 0.00 N ATOM 276 CD2 HIS A 19 1.898 -24.285 9.449 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.036 -26.372 8.883 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.391 -25.553 9.718 1.00 0.00 N ATOM 0 H HIS A 19 5.465 -22.791 9.993 1.00 0.00 H new ATOM 0 HA HIS A 19 5.485 -24.543 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.435 -22.332 8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.495 -23.307 6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.596 -23.376 9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.874 -27.439 8.835 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.680 -25.803 10.405 1.00 0.00 H new ATOM 286 N ASP A 20 6.299 -22.507 6.211 1.00 0.00 N ATOM 287 CA ASP A 20 7.151 -21.442 5.610 1.00 0.00 C ATOM 288 C ASP A 20 6.326 -20.175 5.368 1.00 0.00 C ATOM 289 O ASP A 20 5.367 -20.182 4.621 1.00 0.00 O ATOM 290 CB ASP A 20 7.639 -22.026 4.286 1.00 0.00 C ATOM 291 CG ASP A 20 8.514 -23.250 4.560 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.908 -23.428 5.701 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.776 -23.990 3.625 1.00 0.00 O ATOM 0 H ASP A 20 5.951 -23.206 5.555 1.00 0.00 H new ATOM 0 HA ASP A 20 7.979 -21.160 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.789 -22.306 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.206 -21.277 3.733 1.00 0.00 H new ATOM 298 N GLY A 21 6.691 -19.089 5.990 1.00 0.00 N ATOM 299 CA GLY A 21 5.927 -17.825 5.793 1.00 0.00 C ATOM 300 C GLY A 21 5.329 -17.376 7.127 1.00 0.00 C ATOM 301 O GLY A 21 4.458 -16.529 7.174 1.00 0.00 O ATOM 0 H GLY A 21 7.485 -19.022 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.583 -17.049 5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.135 -17.977 5.060 1.00 0.00 H new ATOM 305 N ASP A 22 5.790 -17.932 8.214 1.00 0.00 N ATOM 306 CA ASP A 22 5.244 -17.533 9.543 1.00 0.00 C ATOM 307 C ASP A 22 6.303 -16.771 10.345 1.00 0.00 C ATOM 308 O ASP A 22 7.464 -16.741 9.987 1.00 0.00 O ATOM 309 CB ASP A 22 4.886 -18.848 10.238 1.00 0.00 C ATOM 310 CG ASP A 22 3.997 -19.686 9.320 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.533 -19.151 8.326 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.793 -20.850 9.624 1.00 0.00 O ATOM 0 H ASP A 22 6.520 -18.644 8.240 1.00 0.00 H new ATOM 0 HA ASP A 22 4.381 -16.873 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.793 -19.399 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.370 -18.646 11.177 1.00 0.00 H new ATOM 317 N LEU A 23 5.912 -16.157 11.428 1.00 0.00 N ATOM 318 CA LEU A 23 6.896 -15.400 12.254 1.00 0.00 C ATOM 319 C LEU A 23 7.130 -16.123 13.583 1.00 0.00 C ATOM 320 O LEU A 23 6.251 -16.213 14.414 1.00 0.00 O ATOM 321 CB LEU A 23 6.248 -14.035 12.490 1.00 0.00 C ATOM 322 CG LEU A 23 7.285 -13.070 13.067 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.528 -13.066 12.177 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.693 -11.660 13.124 1.00 0.00 C ATOM 0 H LEU A 23 4.954 -16.147 11.777 1.00 0.00 H new ATOM 0 HA LEU A 23 7.866 -15.309 11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.852 -13.642 11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.407 -14.134 13.176 1.00 0.00 H new ATOM 0 HG LEU A 23 7.559 -13.390 14.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.267 -12.378 12.588 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.950 -14.070 12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.254 -12.746 11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.431 -10.972 13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.418 -11.340 12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.807 -11.663 13.759 1.00 0.00 H new ATOM 336 N GLY A 24 8.313 -16.632 13.791 1.00 0.00 N ATOM 337 CA GLY A 24 8.604 -17.346 15.066 1.00 0.00 C ATOM 338 C GLY A 24 9.280 -16.386 16.044 1.00 0.00 C ATOM 339 O GLY A 24 10.340 -16.663 16.570 1.00 0.00 O ATOM 0 H GLY A 24 9.091 -16.584 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.681 -17.732 15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.250 -18.203 14.876 1.00 0.00 H new ATOM 343 N PHE A 25 8.680 -15.253 16.286 1.00 0.00 N ATOM 344 CA PHE A 25 9.281 -14.259 17.221 1.00 0.00 C ATOM 345 C PHE A 25 9.584 -14.893 18.579 1.00 0.00 C ATOM 346 O PHE A 25 9.249 -16.033 18.835 1.00 0.00 O ATOM 347 CB PHE A 25 8.209 -13.175 17.371 1.00 0.00 C ATOM 348 CG PHE A 25 6.894 -13.811 17.771 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.621 -14.073 19.119 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.948 -14.140 16.791 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.404 -14.664 19.486 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.733 -14.731 17.158 1.00 0.00 C ATOM 353 CZ PHE A 25 4.462 -14.993 18.506 1.00 0.00 C ATOM 0 H PHE A 25 7.791 -14.971 15.873 1.00 0.00 H new ATOM 0 HA PHE A 25 10.227 -13.868 16.846 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.516 -12.448 18.123 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.092 -12.633 16.432 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.348 -13.820 19.876 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.156 -13.937 15.751 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.194 -14.865 20.526 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.005 -14.985 16.401 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.525 -15.449 18.789 1.00 0.00 H new ATOM 363 N GLU A 26 10.215 -14.155 19.452 1.00 0.00 N ATOM 364 CA GLU A 26 10.543 -14.698 20.800 1.00 0.00 C ATOM 365 C GLU A 26 9.676 -14.016 21.864 1.00 0.00 C ATOM 366 O GLU A 26 8.900 -13.124 21.570 1.00 0.00 O ATOM 367 CB GLU A 26 12.019 -14.366 21.016 1.00 0.00 C ATOM 368 CG GLU A 26 12.868 -15.140 20.005 1.00 0.00 C ATOM 369 CD GLU A 26 14.350 -14.945 20.328 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.646 -14.150 21.204 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.165 -15.594 19.692 1.00 0.00 O ATOM 0 H GLU A 26 10.518 -13.195 19.288 1.00 0.00 H new ATOM 0 HA GLU A 26 10.355 -15.769 20.872 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.183 -13.295 20.900 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.317 -14.626 22.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.614 -16.200 20.037 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.656 -14.792 18.994 1.00 0.00 H new ATOM 378 N LYS A 27 9.803 -14.421 23.097 1.00 0.00 N ATOM 379 CA LYS A 27 8.986 -13.795 24.175 1.00 0.00 C ATOM 380 C LYS A 27 9.401 -12.335 24.379 1.00 0.00 C ATOM 381 O LYS A 27 10.568 -12.001 24.352 1.00 0.00 O ATOM 382 CB LYS A 27 9.288 -14.618 25.427 1.00 0.00 C ATOM 383 CG LYS A 27 8.726 -13.902 26.656 1.00 0.00 C ATOM 384 CD LYS A 27 8.565 -14.905 27.801 1.00 0.00 C ATOM 385 CE LYS A 27 7.663 -14.305 28.881 1.00 0.00 C ATOM 386 NZ LYS A 27 8.256 -14.763 30.169 1.00 0.00 N ATOM 0 H LYS A 27 10.437 -15.158 23.405 1.00 0.00 H new ATOM 0 HA LYS A 27 7.923 -13.790 23.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.847 -15.611 25.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.364 -14.756 25.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.394 -13.095 26.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.764 -13.448 26.418 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.134 -15.834 27.427 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.540 -15.152 28.222 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.642 -13.217 28.820 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.635 -14.650 28.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.693 -14.393 30.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.256 -15.803 30.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.233 -14.414 30.245 1.00 0.00 H new ATOM 400 N GLY A 28 8.451 -11.465 24.586 1.00 0.00 N ATOM 401 CA GLY A 28 8.786 -10.029 24.796 1.00 0.00 C ATOM 402 C GLY A 28 8.877 -9.323 23.443 1.00 0.00 C ATOM 403 O GLY A 28 8.890 -8.110 23.366 1.00 0.00 O ATOM 0 H GLY A 28 7.456 -11.687 24.619 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.025 -9.554 25.415 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.733 -9.940 25.329 1.00 0.00 H new ATOM 407 N GLU A 29 8.942 -10.068 22.373 1.00 0.00 N ATOM 408 CA GLU A 29 9.035 -9.427 21.031 1.00 0.00 C ATOM 409 C GLU A 29 7.741 -8.674 20.711 1.00 0.00 C ATOM 410 O GLU A 29 6.661 -9.226 20.766 1.00 0.00 O ATOM 411 CB GLU A 29 9.239 -10.584 20.052 1.00 0.00 C ATOM 412 CG GLU A 29 10.711 -10.999 20.055 1.00 0.00 C ATOM 413 CD GLU A 29 11.216 -11.100 18.615 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.390 -11.100 17.717 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.420 -11.174 18.433 1.00 0.00 O ATOM 0 H GLU A 29 8.935 -11.088 22.370 1.00 0.00 H new ATOM 0 HA GLU A 29 9.845 -8.700 20.977 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.611 -11.429 20.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.937 -10.284 19.049 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.304 -10.271 20.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.829 -11.957 20.561 1.00 0.00 H new ATOM 422 N GLN A 30 7.843 -7.417 20.375 1.00 0.00 N ATOM 423 CA GLN A 30 6.619 -6.631 20.051 1.00 0.00 C ATOM 424 C GLN A 30 6.168 -6.939 18.621 1.00 0.00 C ATOM 425 O GLN A 30 6.971 -7.030 17.714 1.00 0.00 O ATOM 426 CB GLN A 30 7.040 -5.166 20.176 1.00 0.00 C ATOM 427 CG GLN A 30 5.832 -4.264 19.911 1.00 0.00 C ATOM 428 CD GLN A 30 6.305 -2.820 19.732 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.060 -2.524 18.829 1.00 0.00 O ATOM 430 NE2 GLN A 30 5.887 -1.903 20.560 1.00 0.00 N ATOM 0 H GLN A 30 8.720 -6.901 20.311 1.00 0.00 H new ATOM 0 HA GLN A 30 5.785 -6.869 20.711 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.439 -4.975 21.172 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.836 -4.943 19.466 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.304 -4.598 19.018 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.128 -4.327 20.741 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.252 -2.152 21.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.195 -0.937 20.449 1.00 0.00 H new ATOM 439 N LEU A 31 4.892 -7.108 18.414 1.00 0.00 N ATOM 440 CA LEU A 31 4.401 -7.420 17.041 1.00 0.00 C ATOM 441 C LEU A 31 3.144 -6.607 16.720 1.00 0.00 C ATOM 442 O LEU A 31 2.427 -6.174 17.599 1.00 0.00 O ATOM 443 CB LEU A 31 4.072 -8.912 17.071 1.00 0.00 C ATOM 444 CG LEU A 31 5.342 -9.723 16.802 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.242 -9.689 18.038 1.00 0.00 C ATOM 446 CD2 LEU A 31 4.962 -11.172 16.489 1.00 0.00 C ATOM 0 H LEU A 31 4.170 -7.044 19.132 1.00 0.00 H new ATOM 0 HA LEU A 31 5.139 -7.173 16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.654 -9.183 18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.315 -9.143 16.321 1.00 0.00 H new ATOM 0 HG LEU A 31 5.875 -9.293 15.954 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.146 -10.267 17.846 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.512 -8.657 18.263 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.710 -10.119 18.887 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.865 -11.752 16.297 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.430 -11.600 17.338 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.320 -11.198 15.608 1.00 0.00 H new ATOM 458 N ARG A 32 2.869 -6.411 15.460 1.00 0.00 N ATOM 459 CA ARG A 32 1.654 -5.644 15.067 1.00 0.00 C ATOM 460 C ARG A 32 0.601 -6.612 14.521 1.00 0.00 C ATOM 461 O ARG A 32 0.895 -7.454 13.701 1.00 0.00 O ATOM 462 CB ARG A 32 2.130 -4.682 13.975 1.00 0.00 C ATOM 463 CG ARG A 32 0.932 -4.183 13.164 1.00 0.00 C ATOM 464 CD ARG A 32 1.432 -3.376 11.963 1.00 0.00 C ATOM 465 NE ARG A 32 0.227 -2.665 11.453 1.00 0.00 N ATOM 466 CZ ARG A 32 0.297 -1.976 10.346 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.460 -1.685 9.831 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.796 -1.577 9.755 1.00 0.00 N ATOM 0 H ARG A 32 3.436 -6.750 14.683 1.00 0.00 H new ATOM 0 HA ARG A 32 1.200 -5.107 15.900 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.653 -3.838 14.424 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.840 -5.185 13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.332 -5.027 12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.288 -3.565 13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.212 -2.673 12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.860 -4.026 11.200 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.652 -2.716 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.315 -1.996 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.515 -1.147 8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.705 -1.803 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.741 -1.039 8.890 1.00 0.00 H new ATOM 482 N ILE A 33 -0.616 -6.512 14.977 1.00 0.00 N ATOM 483 CA ILE A 33 -1.671 -7.445 14.484 1.00 0.00 C ATOM 484 C ILE A 33 -2.386 -6.858 13.265 1.00 0.00 C ATOM 485 O ILE A 33 -3.327 -6.098 13.389 1.00 0.00 O ATOM 486 CB ILE A 33 -2.644 -7.597 15.653 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.904 -8.173 16.862 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.778 -8.543 15.253 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.829 -8.161 18.080 1.00 0.00 C ATOM 0 H ILE A 33 -0.927 -5.828 15.667 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.254 -8.402 14.170 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.057 -6.622 15.910 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.577 -9.191 16.650 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.008 -7.587 17.067 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.472 -8.652 16.086 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.306 -8.134 14.392 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.365 -9.518 14.996 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.302 -8.571 18.941 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.134 -7.137 18.295 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.711 -8.766 17.873 1.00 0.00 H new ATOM 501 N LEU A 34 -1.946 -7.204 12.086 1.00 0.00 N ATOM 502 CA LEU A 34 -2.598 -6.668 10.858 1.00 0.00 C ATOM 503 C LEU A 34 -3.883 -7.446 10.553 1.00 0.00 C ATOM 504 O LEU A 34 -4.838 -6.901 10.035 1.00 0.00 O ATOM 505 CB LEU A 34 -1.572 -6.872 9.744 1.00 0.00 C ATOM 506 CG LEU A 34 -0.288 -6.115 10.088 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.874 -7.104 10.203 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.016 -5.097 8.987 1.00 0.00 C ATOM 0 H LEU A 34 -1.162 -7.835 11.920 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.881 -5.621 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.359 -7.934 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.974 -6.516 8.795 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.418 -5.595 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.789 -6.564 10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.659 -7.828 10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.004 -7.625 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.931 -4.558 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.144 -5.616 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.810 -4.391 8.906 1.00 0.00 H new ATOM 520 N GLU A 35 -3.917 -8.714 10.866 1.00 0.00 N ATOM 521 CA GLU A 35 -5.144 -9.515 10.588 1.00 0.00 C ATOM 522 C GLU A 35 -5.556 -10.303 11.834 1.00 0.00 C ATOM 523 O GLU A 35 -4.735 -10.904 12.499 1.00 0.00 O ATOM 524 CB GLU A 35 -4.749 -10.465 9.458 1.00 0.00 C ATOM 525 CG GLU A 35 -6.009 -11.080 8.846 1.00 0.00 C ATOM 526 CD GLU A 35 -5.611 -12.166 7.843 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.423 -12.330 7.618 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.500 -12.814 7.318 1.00 0.00 O ATOM 0 H GLU A 35 -3.151 -9.228 11.301 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.993 -8.888 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.187 -9.926 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.097 -11.250 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.636 -11.506 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.598 -10.309 8.349 1.00 0.00 H new ATOM 535 N GLN A 36 -6.820 -10.306 12.154 1.00 0.00 N ATOM 536 CA GLN A 36 -7.285 -11.055 13.356 1.00 0.00 C ATOM 537 C GLN A 36 -8.495 -11.925 13.001 1.00 0.00 C ATOM 538 O GLN A 36 -9.542 -11.826 13.609 1.00 0.00 O ATOM 539 CB GLN A 36 -7.677 -9.977 14.366 1.00 0.00 C ATOM 540 CG GLN A 36 -7.937 -10.623 15.728 1.00 0.00 C ATOM 541 CD GLN A 36 -8.257 -9.536 16.756 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.077 -8.364 16.493 1.00 0.00 O ATOM 543 NE2 GLN A 36 -8.728 -9.877 17.924 1.00 0.00 N ATOM 0 H GLN A 36 -7.552 -9.822 11.635 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.519 -11.723 13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.882 -9.236 14.449 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.569 -9.451 14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.767 -11.326 15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.063 -11.192 16.045 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.879 -10.861 18.145 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.945 -9.159 18.616 1.00 0.00 H new ATOM 552 N SER A 37 -8.358 -12.777 12.021 1.00 0.00 N ATOM 553 CA SER A 37 -9.499 -13.652 11.629 1.00 0.00 C ATOM 554 C SER A 37 -9.108 -15.125 11.767 1.00 0.00 C ATOM 555 O SER A 37 -7.975 -15.501 11.534 1.00 0.00 O ATOM 556 CB SER A 37 -9.778 -13.305 10.166 1.00 0.00 C ATOM 557 OG SER A 37 -10.032 -11.913 10.049 1.00 0.00 O ATOM 0 H SER A 37 -7.506 -12.905 11.475 1.00 0.00 H new ATOM 0 HA SER A 37 -10.375 -13.497 12.259 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.925 -13.583 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.634 -13.873 9.803 1.00 0.00 H new ATOM 0 HG SER A 37 -10.209 -11.690 9.111 1.00 0.00 H new ATOM 563 N GLY A 38 -10.033 -15.963 12.143 1.00 0.00 N ATOM 564 CA GLY A 38 -9.713 -17.409 12.296 1.00 0.00 C ATOM 565 C GLY A 38 -8.882 -17.614 13.565 1.00 0.00 C ATOM 566 O GLY A 38 -8.659 -16.695 14.328 1.00 0.00 O ATOM 0 H GLY A 38 -10.998 -15.708 12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.632 -17.992 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.162 -17.765 11.426 1.00 0.00 H new ATOM 570 N GLU A 39 -8.422 -18.813 13.797 1.00 0.00 N ATOM 571 CA GLU A 39 -7.606 -19.074 15.018 1.00 0.00 C ATOM 572 C GLU A 39 -6.223 -18.434 14.874 1.00 0.00 C ATOM 573 O GLU A 39 -5.612 -18.028 15.842 1.00 0.00 O ATOM 574 CB GLU A 39 -7.487 -20.596 15.097 1.00 0.00 C ATOM 575 CG GLU A 39 -8.886 -21.215 15.108 1.00 0.00 C ATOM 576 CD GLU A 39 -8.770 -22.737 15.213 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.678 -23.243 15.009 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.773 -23.370 15.495 1.00 0.00 O ATOM 0 H GLU A 39 -8.575 -19.622 13.195 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.059 -18.654 15.916 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.918 -20.972 14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.943 -20.883 15.997 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.461 -20.825 15.948 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.423 -20.942 14.199 1.00 0.00 H new ATOM 585 N TRP A 40 -5.723 -18.341 13.672 1.00 0.00 N ATOM 586 CA TRP A 40 -4.379 -17.727 13.468 1.00 0.00 C ATOM 587 C TRP A 40 -4.525 -16.273 13.012 1.00 0.00 C ATOM 588 O TRP A 40 -5.442 -15.927 12.293 1.00 0.00 O ATOM 589 CB TRP A 40 -3.721 -18.568 12.376 1.00 0.00 C ATOM 590 CG TRP A 40 -3.427 -19.934 12.906 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.149 -21.044 12.634 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.347 -20.352 13.790 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.582 -22.119 13.295 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.469 -21.743 14.021 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.285 -19.668 14.407 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.570 -22.430 14.837 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.377 -20.356 15.228 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.520 -21.735 15.442 1.00 0.00 C ATOM 0 H TRP A 40 -6.186 -18.663 12.822 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.788 -17.714 14.384 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.379 -18.637 11.509 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.800 -18.091 12.040 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.025 -21.085 12.004 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.942 -23.072 13.251 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.167 -18.606 14.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.685 -23.491 15.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.435 -19.821 15.697 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.181 -22.259 16.074 1.00 0.00 H new ATOM 609 N TRP A 41 -3.625 -15.422 13.421 1.00 0.00 N ATOM 610 CA TRP A 41 -3.709 -13.990 13.010 1.00 0.00 C ATOM 611 C TRP A 41 -2.440 -13.580 12.261 1.00 0.00 C ATOM 612 O TRP A 41 -1.391 -14.172 12.423 1.00 0.00 O ATOM 613 CB TRP A 41 -3.827 -13.209 14.319 1.00 0.00 C ATOM 614 CG TRP A 41 -5.178 -13.430 14.920 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.248 -13.936 14.266 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.620 -13.161 16.283 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.319 -13.996 15.140 1.00 0.00 N ATOM 618 CE2 TRP A 41 -6.981 -13.529 16.395 1.00 0.00 C ATOM 619 CE3 TRP A 41 -4.979 -12.637 17.419 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.682 -13.383 17.593 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.680 -12.490 18.627 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.029 -12.863 18.714 1.00 0.00 C ATOM 0 H TRP A 41 -2.835 -15.655 14.022 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.550 -13.802 12.343 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.052 -13.529 15.015 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.670 -12.146 14.135 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.264 -14.243 13.231 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.245 -14.343 14.888 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.941 -12.346 17.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.721 -13.670 17.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.177 -12.087 19.494 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.563 -12.749 19.646 1.00 0.00 H new ATOM 633 N LYS A 42 -2.524 -12.558 11.457 1.00 0.00 N ATOM 634 CA LYS A 42 -1.321 -12.092 10.712 1.00 0.00 C ATOM 635 C LYS A 42 -0.748 -10.862 11.412 1.00 0.00 C ATOM 636 O LYS A 42 -1.478 -9.999 11.858 1.00 0.00 O ATOM 637 CB LYS A 42 -1.832 -11.734 9.316 1.00 0.00 C ATOM 638 CG LYS A 42 -0.659 -11.715 8.333 1.00 0.00 C ATOM 639 CD LYS A 42 -1.129 -11.158 6.989 1.00 0.00 C ATOM 640 CE LYS A 42 0.044 -11.140 6.007 1.00 0.00 C ATOM 641 NZ LYS A 42 0.364 -12.575 5.768 1.00 0.00 N ATOM 0 H LYS A 42 -3.375 -12.024 11.283 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.531 -12.841 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.579 -12.459 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.321 -10.760 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.151 -11.103 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.263 -12.722 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.940 -11.770 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.524 -10.150 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.225 -10.635 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.900 -10.608 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.277 -12.806 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.382 -13.171 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.421 -12.752 4.745 1.00 0.00 H new ATOM 655 N ALA A 43 0.547 -10.768 11.529 1.00 0.00 N ATOM 656 CA ALA A 43 1.130 -9.583 12.220 1.00 0.00 C ATOM 657 C ALA A 43 2.512 -9.245 11.657 1.00 0.00 C ATOM 658 O ALA A 43 3.032 -9.930 10.799 1.00 0.00 O ATOM 659 CB ALA A 43 1.238 -10.000 13.686 1.00 0.00 C ATOM 0 H ALA A 43 1.220 -11.451 11.181 1.00 0.00 H new ATOM 0 HA ALA A 43 0.517 -8.692 12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.660 -9.180 14.267 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.247 -10.244 14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.884 -10.874 13.769 1.00 0.00 H new ATOM 665 N GLN A 44 3.109 -8.191 12.144 1.00 0.00 N ATOM 666 CA GLN A 44 4.458 -7.797 11.652 1.00 0.00 C ATOM 667 C GLN A 44 5.321 -7.319 12.824 1.00 0.00 C ATOM 668 O GLN A 44 4.826 -6.765 13.786 1.00 0.00 O ATOM 669 CB GLN A 44 4.203 -6.653 10.669 1.00 0.00 C ATOM 670 CG GLN A 44 5.532 -6.180 10.076 1.00 0.00 C ATOM 671 CD GLN A 44 5.344 -4.801 9.441 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.257 -4.259 9.447 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.366 -4.207 8.888 1.00 0.00 N ATOM 0 H GLN A 44 2.718 -7.584 12.864 1.00 0.00 H new ATOM 0 HA GLN A 44 4.988 -8.625 11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.536 -6.985 9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.706 -5.827 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.294 -6.133 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.883 -6.892 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.279 -4.662 8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.252 -3.288 8.461 1.00 0.00 H new ATOM 682 N SER A 45 6.607 -7.530 12.755 1.00 0.00 N ATOM 683 CA SER A 45 7.494 -7.088 13.868 1.00 0.00 C ATOM 684 C SER A 45 8.110 -5.724 13.546 1.00 0.00 C ATOM 685 O SER A 45 8.932 -5.598 12.660 1.00 0.00 O ATOM 686 CB SER A 45 8.581 -8.160 13.959 1.00 0.00 C ATOM 687 OG SER A 45 9.109 -8.189 15.278 1.00 0.00 O ATOM 0 H SER A 45 7.081 -7.989 11.977 1.00 0.00 H new ATOM 0 HA SER A 45 6.952 -6.977 14.807 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.168 -9.135 13.700 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.375 -7.950 13.243 1.00 0.00 H new ATOM 0 HG SER A 45 9.912 -7.629 15.321 1.00 0.00 H new ATOM 693 N LEU A 46 7.721 -4.702 14.259 1.00 0.00 N ATOM 694 CA LEU A 46 8.284 -3.348 13.992 1.00 0.00 C ATOM 695 C LEU A 46 9.745 -3.280 14.446 1.00 0.00 C ATOM 696 O LEU A 46 10.412 -2.281 14.270 1.00 0.00 O ATOM 697 CB LEU A 46 7.422 -2.393 14.819 1.00 0.00 C ATOM 698 CG LEU A 46 5.949 -2.591 14.458 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.089 -1.626 15.277 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.747 -2.315 12.967 1.00 0.00 C ATOM 0 H LEU A 46 7.038 -4.746 15.015 1.00 0.00 H new ATOM 0 HA LEU A 46 8.271 -3.098 12.931 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.574 -2.577 15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.718 -1.362 14.629 1.00 0.00 H new ATOM 0 HG LEU A 46 5.656 -3.617 14.680 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.039 -1.767 15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.232 -1.823 16.339 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.382 -0.600 15.056 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.697 -2.456 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.041 -1.289 12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.359 -3.003 12.383 1.00 0.00 H new ATOM 712 N THR A 47 10.248 -4.336 15.026 1.00 0.00 N ATOM 713 CA THR A 47 11.666 -4.328 15.486 1.00 0.00 C ATOM 714 C THR A 47 12.593 -4.723 14.333 1.00 0.00 C ATOM 715 O THR A 47 13.714 -4.264 14.239 1.00 0.00 O ATOM 716 CB THR A 47 11.726 -5.368 16.605 1.00 0.00 C ATOM 717 OG1 THR A 47 11.564 -6.667 16.050 1.00 0.00 O ATOM 718 CG2 THR A 47 10.610 -5.099 17.615 1.00 0.00 C ATOM 0 H THR A 47 9.739 -5.203 15.201 1.00 0.00 H new ATOM 0 HA THR A 47 11.986 -3.344 15.830 1.00 0.00 H new ATOM 0 HB THR A 47 12.690 -5.305 17.109 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.604 -7.336 16.765 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.654 -5.841 18.412 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.736 -4.103 18.039 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.644 -5.161 17.115 1.00 0.00 H new ATOM 726 N THR A 48 12.132 -5.572 13.455 1.00 0.00 N ATOM 727 CA THR A 48 12.982 -5.996 12.307 1.00 0.00 C ATOM 728 C THR A 48 12.296 -5.642 10.984 1.00 0.00 C ATOM 729 O THR A 48 12.845 -5.836 9.918 1.00 0.00 O ATOM 730 CB THR A 48 13.118 -7.513 12.454 1.00 0.00 C ATOM 731 OG1 THR A 48 11.883 -8.131 12.123 1.00 0.00 O ATOM 732 CG2 THR A 48 13.494 -7.856 13.896 1.00 0.00 C ATOM 0 H THR A 48 11.202 -5.991 13.484 1.00 0.00 H new ATOM 0 HA THR A 48 13.952 -5.499 12.304 1.00 0.00 H new ATOM 0 HB THR A 48 13.897 -7.876 11.783 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.969 -9.103 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.591 -8.937 14.000 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.442 -7.381 14.148 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.717 -7.495 14.570 1.00 0.00 H new ATOM 740 N GLY A 49 11.100 -5.122 11.047 1.00 0.00 N ATOM 741 CA GLY A 49 10.382 -4.753 9.795 1.00 0.00 C ATOM 742 C GLY A 49 10.042 -6.019 9.007 1.00 0.00 C ATOM 743 O GLY A 49 10.280 -6.104 7.819 1.00 0.00 O ATOM 0 H GLY A 49 10.590 -4.937 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.470 -4.206 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.002 -4.091 9.190 1.00 0.00 H new ATOM 747 N GLN A 50 9.490 -7.006 9.658 1.00 0.00 N ATOM 748 CA GLN A 50 9.137 -8.265 8.942 1.00 0.00 C ATOM 749 C GLN A 50 7.686 -8.657 9.234 1.00 0.00 C ATOM 750 O GLN A 50 7.123 -8.286 10.246 1.00 0.00 O ATOM 751 CB GLN A 50 10.097 -9.319 9.495 1.00 0.00 C ATOM 752 CG GLN A 50 11.391 -9.308 8.679 1.00 0.00 C ATOM 753 CD GLN A 50 12.423 -10.222 9.345 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.108 -10.935 10.276 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.650 -10.230 8.902 1.00 0.00 N ATOM 0 H GLN A 50 9.268 -6.995 10.654 1.00 0.00 H new ATOM 0 HA GLN A 50 9.224 -8.159 7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.314 -9.115 10.543 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.635 -10.305 9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.194 -9.645 7.661 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.781 -8.292 8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.914 -9.631 8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.346 -10.836 9.338 1.00 0.00 H new ATOM 764 N GLU A 51 7.079 -9.406 8.356 1.00 0.00 N ATOM 765 CA GLU A 51 5.665 -9.827 8.580 1.00 0.00 C ATOM 766 C GLU A 51 5.581 -11.354 8.641 1.00 0.00 C ATOM 767 O GLU A 51 6.467 -12.049 8.185 1.00 0.00 O ATOM 768 CB GLU A 51 4.895 -9.297 7.370 1.00 0.00 C ATOM 769 CG GLU A 51 4.969 -7.769 7.347 1.00 0.00 C ATOM 770 CD GLU A 51 4.419 -7.252 6.016 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.086 -8.073 5.177 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.342 -6.045 5.858 1.00 0.00 O ATOM 0 H GLU A 51 7.500 -9.746 7.492 1.00 0.00 H new ATOM 0 HA GLU A 51 5.261 -9.444 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.315 -9.706 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.855 -9.621 7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.395 -7.354 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.001 -7.442 7.478 1.00 0.00 H new ATOM 779 N GLY A 52 4.528 -11.886 9.199 1.00 0.00 N ATOM 780 CA GLY A 52 4.403 -13.367 9.280 1.00 0.00 C ATOM 781 C GLY A 52 3.069 -13.736 9.936 1.00 0.00 C ATOM 782 O GLY A 52 2.135 -12.958 9.949 1.00 0.00 O ATOM 0 H GLY A 52 3.752 -11.360 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.461 -13.802 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.230 -13.781 9.857 1.00 0.00 H new ATOM 786 N PHE A 53 2.980 -14.915 10.485 1.00 0.00 N ATOM 787 CA PHE A 53 1.713 -15.340 11.145 1.00 0.00 C ATOM 788 C PHE A 53 1.975 -15.669 12.617 1.00 0.00 C ATOM 789 O PHE A 53 2.946 -16.316 12.954 1.00 0.00 O ATOM 790 CB PHE A 53 1.270 -16.590 10.386 1.00 0.00 C ATOM 791 CG PHE A 53 0.766 -16.196 9.018 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.442 -15.501 8.891 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.507 -16.525 7.877 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.909 -15.135 7.623 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.040 -16.159 6.610 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.168 -15.464 6.482 1.00 0.00 C ATOM 0 H PHE A 53 3.731 -15.605 10.505 1.00 0.00 H new ATOM 0 HA PHE A 53 0.951 -14.561 11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.104 -17.286 10.292 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.485 -17.106 10.940 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.014 -15.247 9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.439 -17.061 7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.841 -14.599 7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.612 -16.413 5.730 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.528 -15.182 5.504 1.00 0.00 H new ATOM 806 N ILE A 54 1.120 -15.224 13.495 1.00 0.00 N ATOM 807 CA ILE A 54 1.328 -15.510 14.943 1.00 0.00 C ATOM 808 C ILE A 54 0.042 -16.053 15.570 1.00 0.00 C ATOM 809 O ILE A 54 -1.048 -15.715 15.151 1.00 0.00 O ATOM 810 CB ILE A 54 1.699 -14.162 15.561 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.533 -13.183 15.398 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.935 -13.600 14.855 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.486 -12.242 16.603 1.00 0.00 C ATOM 0 H ILE A 54 0.288 -14.676 13.274 1.00 0.00 H new ATOM 0 HA ILE A 54 2.099 -16.262 15.108 1.00 0.00 H new ATOM 0 HB ILE A 54 1.913 -14.298 16.621 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.652 -12.609 14.479 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.406 -13.730 15.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.200 -12.639 15.295 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.767 -14.294 14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.719 -13.466 13.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.344 -11.545 16.488 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.347 -12.824 17.514 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.421 -11.686 16.667 1.00 0.00 H new ATOM 825 N PRO A 55 0.218 -16.880 16.566 1.00 0.00 N ATOM 826 CA PRO A 55 -0.972 -17.456 17.245 1.00 0.00 C ATOM 827 C PRO A 55 -1.576 -16.423 18.201 1.00 0.00 C ATOM 828 O PRO A 55 -0.871 -15.658 18.829 1.00 0.00 O ATOM 829 CB PRO A 55 -0.420 -18.652 18.011 1.00 0.00 C ATOM 830 CG PRO A 55 1.021 -18.335 18.225 1.00 0.00 C ATOM 831 CD PRO A 55 1.460 -17.492 17.058 1.00 0.00 C ATOM 0 HA PRO A 55 -1.765 -17.742 16.554 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.940 -18.789 18.959 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.542 -19.575 17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.164 -17.800 19.164 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.613 -19.248 18.286 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.183 -16.735 17.363 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.938 -18.097 16.288 1.00 0.00 H new ATOM 839 N PHE A 56 -2.874 -16.388 18.308 1.00 0.00 N ATOM 840 CA PHE A 56 -3.522 -15.394 19.211 1.00 0.00 C ATOM 841 C PHE A 56 -3.196 -15.692 20.678 1.00 0.00 C ATOM 842 O PHE A 56 -3.504 -14.913 21.557 1.00 0.00 O ATOM 843 CB PHE A 56 -5.021 -15.554 18.956 1.00 0.00 C ATOM 844 CG PHE A 56 -5.503 -16.848 19.567 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.406 -18.044 18.845 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.046 -16.852 20.858 1.00 0.00 C ATOM 847 CE1 PHE A 56 -5.850 -19.244 19.413 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.491 -18.053 21.426 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.393 -19.248 20.704 1.00 0.00 C ATOM 0 H PHE A 56 -3.516 -17.004 17.810 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.172 -14.380 19.017 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.565 -14.713 19.385 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.220 -15.549 17.884 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.988 -18.041 17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.122 -15.930 21.415 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.774 -20.166 18.856 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.910 -18.057 22.421 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.736 -20.173 21.142 1.00 0.00 H new ATOM 859 N ASN A 57 -2.588 -16.813 20.958 1.00 0.00 N ATOM 860 CA ASN A 57 -2.266 -17.146 22.379 1.00 0.00 C ATOM 861 C ASN A 57 -0.873 -16.632 22.760 1.00 0.00 C ATOM 862 O ASN A 57 -0.597 -16.372 23.915 1.00 0.00 O ATOM 863 CB ASN A 57 -2.309 -18.672 22.443 1.00 0.00 C ATOM 864 CG ASN A 57 -2.398 -19.118 23.903 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.403 -18.300 24.802 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.471 -20.391 24.181 1.00 0.00 N ATOM 0 H ASN A 57 -2.301 -17.510 20.271 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.966 -16.682 23.074 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.167 -19.046 21.884 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.417 -19.092 21.977 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.532 -20.698 25.152 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.467 -21.079 23.428 1.00 0.00 H new ATOM 873 N PHE A 58 0.009 -16.487 21.809 1.00 0.00 N ATOM 874 CA PHE A 58 1.379 -15.994 22.139 1.00 0.00 C ATOM 875 C PHE A 58 1.391 -14.465 22.197 1.00 0.00 C ATOM 876 O PHE A 58 2.429 -13.847 22.332 1.00 0.00 O ATOM 877 CB PHE A 58 2.275 -16.495 21.004 1.00 0.00 C ATOM 878 CG PHE A 58 2.516 -17.981 21.164 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.435 -18.872 21.187 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.823 -18.465 21.290 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.664 -20.246 21.336 1.00 0.00 C ATOM 882 CE2 PHE A 58 4.051 -19.838 21.439 1.00 0.00 C ATOM 883 CZ PHE A 58 2.972 -20.728 21.462 1.00 0.00 C ATOM 0 H PHE A 58 -0.157 -16.687 20.823 1.00 0.00 H new ATOM 0 HA PHE A 58 1.720 -16.353 23.110 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.805 -16.294 20.041 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.224 -15.959 21.013 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.426 -18.500 21.090 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.657 -17.779 21.272 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.831 -20.933 21.354 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.060 -20.210 21.536 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.148 -21.787 21.577 1.00 0.00 H new ATOM 893 N VAL A 59 0.245 -13.849 22.096 1.00 0.00 N ATOM 894 CA VAL A 59 0.191 -12.360 22.145 1.00 0.00 C ATOM 895 C VAL A 59 -1.114 -11.901 22.803 1.00 0.00 C ATOM 896 O VAL A 59 -2.016 -12.683 23.024 1.00 0.00 O ATOM 897 CB VAL A 59 0.243 -11.916 20.684 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.456 -10.402 20.617 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.401 -12.623 19.977 1.00 0.00 C ATOM 0 H VAL A 59 -0.656 -14.312 21.982 1.00 0.00 H new ATOM 0 HA VAL A 59 1.007 -11.934 22.729 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.696 -12.174 20.194 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.493 -10.086 19.575 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.368 -9.896 21.121 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.395 -10.145 21.108 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.438 -12.307 18.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.339 -12.365 20.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.252 -13.702 20.024 1.00 0.00 H new ATOM 909 N ALA A 60 -1.220 -10.639 23.119 1.00 0.00 N ATOM 910 CA ALA A 60 -2.468 -10.135 23.763 1.00 0.00 C ATOM 911 C ALA A 60 -2.593 -8.621 23.571 1.00 0.00 C ATOM 912 O ALA A 60 -1.650 -7.953 23.197 1.00 0.00 O ATOM 913 CB ALA A 60 -2.313 -10.477 25.245 1.00 0.00 C ATOM 0 H ALA A 60 -0.498 -9.936 22.960 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.364 -10.582 23.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.193 -10.138 25.791 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.208 -11.556 25.360 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.427 -9.982 25.642 1.00 0.00 H new