USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.0652 (180deg=-0.452) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00836 USER MOD Single : A 19 TYR OH : rot 68:sc= 0.037 USER MOD Single : A 26 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.6!) USER MOD Single : A 27 SER OG : rot 18:sc= -3.19! USER MOD Single : A 31 THR OG1 : rot -170:sc= -0.108 USER MOD Single : A 35 GLN : amide:sc= -9.08! C(o=-9.1!,f=-9.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.33) USER MOD Single : A 85 ASN : amide:sc= -0.803 K(o=-0.8,f=-0.069) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 87:sc= 0.00283 USER MOD Single : A 92 MET CE :methyl -162:sc= 0 (180deg=-0.46) USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= -0.158 (180deg=-0.641) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.589 K(o=-0.59,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.515 15.550 4.459 1.00 0.00 N ATOM 118 CA PRO A 12 5.827 14.472 3.742 1.00 0.00 C ATOM 119 C PRO A 12 5.648 13.226 4.602 1.00 0.00 C ATOM 120 O PRO A 12 6.618 12.543 4.932 1.00 0.00 O ATOM 121 CB PRO A 12 6.759 14.179 2.564 1.00 0.00 C ATOM 122 CG PRO A 12 8.106 14.613 3.029 1.00 0.00 C ATOM 123 CD PRO A 12 7.871 15.787 3.938 1.00 0.00 C ATOM 0 HA PRO A 12 4.818 14.759 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.751 13.120 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.453 14.726 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.615 13.807 3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.739 14.892 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.608 15.828 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.935 16.732 3.398 1.00 0.00 H new ATOM 131 N ARG A 13 4.402 12.935 4.962 1.00 0.00 N ATOM 132 CA ARG A 13 4.096 11.771 5.785 1.00 0.00 C ATOM 133 C ARG A 13 2.977 10.942 5.161 1.00 0.00 C ATOM 134 O ARG A 13 1.835 11.392 5.069 1.00 0.00 O ATOM 135 CB ARG A 13 3.697 12.207 7.195 1.00 0.00 C ATOM 136 CG ARG A 13 3.456 11.047 8.147 1.00 0.00 C ATOM 137 CD ARG A 13 4.732 10.648 8.873 1.00 0.00 C ATOM 138 NE ARG A 13 4.455 10.026 10.165 1.00 0.00 N ATOM 139 CZ ARG A 13 4.126 8.747 10.309 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.034 7.959 9.247 1.00 0.00 N ATOM 141 NH2 ARG A 13 3.889 8.254 11.518 1.00 0.00 N ATOM 0 H ARG A 13 3.588 13.489 4.697 1.00 0.00 H new ATOM 0 HA ARG A 13 4.992 11.154 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.481 12.845 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.792 12.812 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.694 11.325 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.070 10.193 7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.301 9.956 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.355 11.530 9.021 1.00 0.00 H new ATOM 0 HE ARG A 13 4.518 10.605 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.216 8.334 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.781 6.977 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.959 8.857 12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.636 7.272 11.628 1.00 0.00 H new ATOM 155 N PHE A 14 3.313 9.730 4.732 1.00 0.00 N ATOM 156 CA PHE A 14 2.337 8.840 4.115 1.00 0.00 C ATOM 157 C PHE A 14 1.004 8.897 4.856 1.00 0.00 C ATOM 158 O PHE A 14 0.943 9.309 6.013 1.00 0.00 O ATOM 159 CB PHE A 14 2.864 7.403 4.101 1.00 0.00 C ATOM 160 CG PHE A 14 4.015 7.196 3.159 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.799 7.073 1.796 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.314 7.126 3.636 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.856 6.882 0.927 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.376 6.935 2.772 1.00 0.00 C ATOM 165 CZ PHE A 14 6.147 6.814 1.415 1.00 0.00 C ATOM 0 H PHE A 14 4.254 9.342 4.800 1.00 0.00 H new ATOM 0 HA PHE A 14 2.177 9.172 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.176 7.129 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.053 6.730 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.792 7.127 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.499 7.222 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.673 6.786 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.383 6.880 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.975 6.667 0.737 1.00 0.00 H new ATOM 175 N GLU A 15 -0.061 8.481 4.178 1.00 0.00 N ATOM 176 CA GLU A 15 -1.393 8.487 4.771 1.00 0.00 C ATOM 177 C GLU A 15 -1.461 7.539 5.965 1.00 0.00 C ATOM 178 O GLU A 15 -1.894 7.921 7.052 1.00 0.00 O ATOM 179 CB GLU A 15 -2.441 8.089 3.729 1.00 0.00 C ATOM 180 CG GLU A 15 -2.410 8.947 2.475 1.00 0.00 C ATOM 181 CD GLU A 15 -3.766 9.051 1.806 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.768 9.251 2.525 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.827 8.934 0.565 1.00 0.00 O ATOM 0 H GLU A 15 -0.027 8.136 3.219 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.603 9.498 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.286 7.047 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.432 8.154 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.058 9.946 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.692 8.528 1.770 1.00 0.00 H new ATOM 190 N LYS A 16 -1.031 6.299 5.754 1.00 0.00 N ATOM 191 CA LYS A 16 -1.042 5.295 6.811 1.00 0.00 C ATOM 192 C LYS A 16 0.377 4.974 7.270 1.00 0.00 C ATOM 193 O LYS A 16 1.251 4.677 6.456 1.00 0.00 O ATOM 194 CB LYS A 16 -1.733 4.019 6.324 1.00 0.00 C ATOM 195 CG LYS A 16 -3.099 4.265 5.706 1.00 0.00 C ATOM 196 CD LYS A 16 -3.589 3.051 4.936 1.00 0.00 C ATOM 197 CE LYS A 16 -3.140 3.094 3.483 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.785 4.210 2.736 1.00 0.00 N ATOM 0 H LYS A 16 -0.670 5.966 4.860 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.596 5.700 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.095 3.528 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.841 3.332 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.815 4.513 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.048 5.125 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.212 2.143 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.677 3.005 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.057 3.207 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.381 2.147 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.796 3.987 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.761 4.336 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.249 5.087 2.892 1.00 0.00 H new ATOM 212 N SER A 17 0.598 5.034 8.579 1.00 0.00 N ATOM 213 CA SER A 17 1.912 4.752 9.146 1.00 0.00 C ATOM 214 C SER A 17 2.434 3.403 8.662 1.00 0.00 C ATOM 215 O SER A 17 3.601 3.272 8.292 1.00 0.00 O ATOM 216 CB SER A 17 1.844 4.767 10.675 1.00 0.00 C ATOM 217 OG SER A 17 1.661 6.084 11.164 1.00 0.00 O ATOM 0 H SER A 17 -0.115 5.275 9.267 1.00 0.00 H new ATOM 0 HA SER A 17 2.600 5.529 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.024 4.133 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.761 4.347 11.087 1.00 0.00 H new ATOM 0 HG SER A 17 1.619 6.067 12.143 1.00 0.00 H new ATOM 223 N VAL A 18 1.560 2.401 8.667 1.00 0.00 N ATOM 224 CA VAL A 18 1.931 1.061 8.228 1.00 0.00 C ATOM 225 C VAL A 18 0.965 0.543 7.169 1.00 0.00 C ATOM 226 O VAL A 18 -0.120 0.055 7.488 1.00 0.00 O ATOM 227 CB VAL A 18 1.962 0.071 9.408 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.376 -1.313 8.933 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.896 0.572 10.499 1.00 0.00 C ATOM 0 H VAL A 18 0.590 2.492 8.970 1.00 0.00 H new ATOM 0 HA VAL A 18 2.931 1.134 7.799 1.00 0.00 H new ATOM 0 HB VAL A 18 0.958 -0.001 9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.392 -1.999 9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.663 -1.671 8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.370 -1.263 8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.906 -0.139 11.325 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.904 0.674 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.549 1.541 10.859 1.00 0.00 H new ATOM 239 N TYR A 19 1.366 0.650 5.907 1.00 0.00 N ATOM 240 CA TYR A 19 0.534 0.194 4.799 1.00 0.00 C ATOM 241 C TYR A 19 0.335 -1.317 4.854 1.00 0.00 C ATOM 242 O TYR A 19 1.219 -2.084 4.473 1.00 0.00 O ATOM 243 CB TYR A 19 1.166 0.589 3.464 1.00 0.00 C ATOM 244 CG TYR A 19 0.830 1.997 3.027 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.012 3.074 3.886 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.332 2.250 1.755 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.705 4.362 3.491 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.024 3.535 1.351 1.00 0.00 C ATOM 249 CZ TYR A 19 0.212 4.587 2.223 1.00 0.00 C ATOM 250 OH TYR A 19 -0.094 5.869 1.826 1.00 0.00 O ATOM 0 H TYR A 19 2.262 1.048 5.626 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.441 0.674 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.249 0.490 3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.836 -0.109 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.400 2.901 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.183 1.428 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.850 5.188 4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.362 3.715 0.358 1.00 0.00 H new ATOM 0 HH TYR A 19 0.731 6.393 1.748 1.00 0.00 H new ATOM 260 N GLU A 20 -0.833 -1.737 5.330 1.00 0.00 N ATOM 261 CA GLU A 20 -1.148 -3.157 5.435 1.00 0.00 C ATOM 262 C GLU A 20 -2.113 -3.583 4.332 1.00 0.00 C ATOM 263 O GLU A 20 -3.300 -3.262 4.373 1.00 0.00 O ATOM 264 CB GLU A 20 -1.754 -3.468 6.806 1.00 0.00 C ATOM 265 CG GLU A 20 -1.510 -4.894 7.270 1.00 0.00 C ATOM 266 CD GLU A 20 -1.474 -5.018 8.781 1.00 0.00 C ATOM 267 OE1 GLU A 20 -0.593 -4.392 9.406 1.00 0.00 O ATOM 268 OE2 GLU A 20 -2.327 -5.740 9.337 1.00 0.00 O ATOM 0 H GLU A 20 -1.576 -1.115 5.649 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.221 -3.718 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.339 -2.779 7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.828 -3.286 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.294 -5.540 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.566 -5.250 6.857 1.00 0.00 H new ATOM 275 N ALA A 21 -1.593 -4.307 3.346 1.00 0.00 N ATOM 276 CA ALA A 21 -2.407 -4.778 2.233 1.00 0.00 C ATOM 277 C ALA A 21 -2.308 -6.292 2.083 1.00 0.00 C ATOM 278 O ALA A 21 -1.388 -6.919 2.609 1.00 0.00 O ATOM 279 CB ALA A 21 -1.987 -4.089 0.943 1.00 0.00 C ATOM 0 H ALA A 21 -0.611 -4.580 3.296 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.447 -4.527 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.604 -4.451 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.116 -3.012 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.940 -4.311 0.736 1.00 0.00 H new ATOM 285 N ASP A 22 -3.260 -6.874 1.362 1.00 0.00 N ATOM 286 CA ASP A 22 -3.280 -8.316 1.143 1.00 0.00 C ATOM 287 C ASP A 22 -2.846 -8.654 -0.280 1.00 0.00 C ATOM 288 O ASP A 22 -3.546 -8.342 -1.245 1.00 0.00 O ATOM 289 CB ASP A 22 -4.678 -8.875 1.410 1.00 0.00 C ATOM 290 CG ASP A 22 -5.693 -8.410 0.384 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.479 -7.337 -0.219 1.00 0.00 O ATOM 292 OD2 ASP A 22 -6.701 -9.119 0.184 1.00 0.00 O ATOM 0 H ASP A 22 -4.028 -6.370 0.919 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.576 -8.775 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.637 -9.964 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.005 -8.570 2.404 1.00 0.00 H new ATOM 297 N LEU A 23 -1.688 -9.293 -0.404 1.00 0.00 N ATOM 298 CA LEU A 23 -1.160 -9.673 -1.710 1.00 0.00 C ATOM 299 C LEU A 23 -1.449 -11.141 -2.007 1.00 0.00 C ATOM 300 O LEU A 23 -1.470 -11.975 -1.103 1.00 0.00 O ATOM 301 CB LEU A 23 0.347 -9.416 -1.767 1.00 0.00 C ATOM 302 CG LEU A 23 0.973 -9.403 -3.162 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.074 -10.815 -3.715 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.166 -8.517 -4.100 1.00 0.00 C ATOM 0 H LEU A 23 -1.097 -9.559 0.383 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.655 -9.064 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.550 -8.457 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.848 -10.180 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 23 1.980 -8.993 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.522 -10.786 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.695 -11.421 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.078 -11.253 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.626 -8.519 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.853 -8.897 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.146 -7.499 -3.712 1.00 0.00 H new ATOM 316 N ALA A 24 -1.668 -11.450 -3.281 1.00 0.00 N ATOM 317 CA ALA A 24 -1.951 -12.817 -3.699 1.00 0.00 C ATOM 318 C ALA A 24 -0.662 -13.583 -3.979 1.00 0.00 C ATOM 319 O ALA A 24 0.111 -13.213 -4.861 1.00 0.00 O ATOM 320 CB ALA A 24 -2.846 -12.819 -4.928 1.00 0.00 C ATOM 0 H ALA A 24 -1.655 -10.771 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.472 -13.319 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.049 -13.847 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.785 -12.317 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.347 -12.295 -5.743 1.00 0.00 H new ATOM 326 N GLU A 25 -0.438 -14.652 -3.221 1.00 0.00 N ATOM 327 CA GLU A 25 0.758 -15.469 -3.388 1.00 0.00 C ATOM 328 C GLU A 25 0.964 -15.840 -4.854 1.00 0.00 C ATOM 329 O GLU A 25 2.095 -15.975 -5.318 1.00 0.00 O ATOM 330 CB GLU A 25 0.659 -16.738 -2.539 1.00 0.00 C ATOM 331 CG GLU A 25 -0.581 -17.567 -2.825 1.00 0.00 C ATOM 332 CD GLU A 25 -0.369 -18.568 -3.944 1.00 0.00 C ATOM 333 OE1 GLU A 25 0.722 -18.554 -4.552 1.00 0.00 O ATOM 334 OE2 GLU A 25 -1.292 -19.366 -4.211 1.00 0.00 O ATOM 0 H GLU A 25 -1.069 -14.972 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 25 1.615 -14.884 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.543 -17.351 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.665 -16.461 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.876 -18.097 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.405 -16.903 -3.088 1.00 0.00 H new ATOM 341 N ASN A 26 -0.140 -16.003 -5.577 1.00 0.00 N ATOM 342 CA ASN A 26 -0.082 -16.359 -6.990 1.00 0.00 C ATOM 343 C ASN A 26 -0.343 -15.140 -7.870 1.00 0.00 C ATOM 344 O ASN A 26 -1.070 -15.220 -8.860 1.00 0.00 O ATOM 345 CB ASN A 26 -1.101 -17.456 -7.304 1.00 0.00 C ATOM 346 CG ASN A 26 -2.518 -16.922 -7.384 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.048 -16.697 -8.472 1.00 0.00 O ATOM 348 ND2 ASN A 26 -3.139 -16.716 -6.228 1.00 0.00 N ATOM 0 H ASN A 26 -1.085 -15.894 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 26 0.920 -16.731 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.840 -17.930 -8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.049 -18.227 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.094 -16.357 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.661 -16.916 -5.350 1.00 0.00 H new ATOM 355 N SER A 27 0.256 -14.012 -7.502 1.00 0.00 N ATOM 356 CA SER A 27 0.086 -12.775 -8.255 1.00 0.00 C ATOM 357 C SER A 27 1.152 -12.648 -9.339 1.00 0.00 C ATOM 358 O SER A 27 2.346 -12.767 -9.067 1.00 0.00 O ATOM 359 CB SER A 27 0.150 -11.569 -7.316 1.00 0.00 C ATOM 360 OG SER A 27 1.436 -11.443 -6.734 1.00 0.00 O ATOM 0 H SER A 27 0.863 -13.929 -6.687 1.00 0.00 H new ATOM 0 HA SER A 27 -0.893 -12.802 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.093 -10.661 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.599 -11.675 -6.531 1.00 0.00 H new ATOM 0 HG SER A 27 2.083 -11.964 -7.254 1.00 0.00 H new ATOM 366 N ALA A 28 0.711 -12.405 -10.568 1.00 0.00 N ATOM 367 CA ALA A 28 1.626 -12.259 -11.694 1.00 0.00 C ATOM 368 C ALA A 28 2.768 -11.308 -11.353 1.00 0.00 C ATOM 369 O ALA A 28 2.694 -10.523 -10.407 1.00 0.00 O ATOM 370 CB ALA A 28 0.877 -11.767 -12.923 1.00 0.00 C ATOM 0 H ALA A 28 -0.275 -12.305 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 28 2.054 -13.237 -11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.573 -11.663 -13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.100 -12.484 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.421 -10.801 -12.708 1.00 0.00 H new ATOM 376 N PRO A 29 3.853 -11.379 -12.139 1.00 0.00 N ATOM 377 CA PRO A 29 5.032 -10.532 -11.939 1.00 0.00 C ATOM 378 C PRO A 29 4.760 -9.070 -12.279 1.00 0.00 C ATOM 379 O PRO A 29 5.676 -8.250 -12.314 1.00 0.00 O ATOM 380 CB PRO A 29 6.061 -11.123 -12.906 1.00 0.00 C ATOM 381 CG PRO A 29 5.250 -11.782 -13.967 1.00 0.00 C ATOM 382 CD PRO A 29 4.011 -12.291 -13.284 1.00 0.00 C ATOM 0 HA PRO A 29 5.358 -10.526 -10.899 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.703 -10.347 -13.323 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.711 -11.839 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.997 -11.077 -14.759 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.803 -12.598 -14.431 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.145 -12.259 -13.946 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.127 -13.325 -12.961 1.00 0.00 H new ATOM 390 N GLY A 30 3.494 -8.751 -12.529 1.00 0.00 N ATOM 391 CA GLY A 30 3.124 -7.388 -12.863 1.00 0.00 C ATOM 392 C GLY A 30 1.831 -6.959 -12.198 1.00 0.00 C ATOM 393 O GLY A 30 1.339 -5.855 -12.434 1.00 0.00 O ATOM 0 H GLY A 30 2.718 -9.412 -12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.925 -6.713 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.020 -7.297 -13.944 1.00 0.00 H new ATOM 397 N THR A 31 1.277 -7.833 -11.364 1.00 0.00 N ATOM 398 CA THR A 31 0.032 -7.541 -10.665 1.00 0.00 C ATOM 399 C THR A 31 0.188 -6.334 -9.746 1.00 0.00 C ATOM 400 O THR A 31 1.153 -6.221 -8.989 1.00 0.00 O ATOM 401 CB THR A 31 -0.442 -8.747 -9.834 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.677 -9.871 -10.690 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.715 -8.411 -9.070 1.00 0.00 C ATOM 0 H THR A 31 1.672 -8.750 -11.156 1.00 0.00 H new ATOM 0 HA THR A 31 -0.715 -7.320 -11.428 1.00 0.00 H new ATOM 0 HB THR A 31 0.340 -8.995 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.125 -10.580 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.031 -9.278 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.526 -7.574 -8.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.501 -8.140 -9.774 1.00 0.00 H new ATOM 411 N PRO A 32 -0.782 -5.410 -9.811 1.00 0.00 N ATOM 412 CA PRO A 32 -0.775 -4.196 -8.990 1.00 0.00 C ATOM 413 C PRO A 32 -1.021 -4.492 -7.515 1.00 0.00 C ATOM 414 O PRO A 32 -1.785 -5.396 -7.173 1.00 0.00 O ATOM 415 CB PRO A 32 -1.926 -3.370 -9.569 1.00 0.00 C ATOM 416 CG PRO A 32 -2.841 -4.373 -10.182 1.00 0.00 C ATOM 417 CD PRO A 32 -1.961 -5.480 -10.691 1.00 0.00 C ATOM 0 HA PRO A 32 0.189 -3.689 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.431 -2.796 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.567 -2.656 -10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.556 -4.748 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.419 -3.930 -10.993 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.455 -6.449 -10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.692 -5.331 -11.737 1.00 0.00 H new ATOM 425 N ILE A 33 -0.371 -3.726 -6.646 1.00 0.00 N ATOM 426 CA ILE A 33 -0.521 -3.907 -5.207 1.00 0.00 C ATOM 427 C ILE A 33 -1.226 -2.712 -4.574 1.00 0.00 C ATOM 428 O ILE A 33 -2.360 -2.822 -4.106 1.00 0.00 O ATOM 429 CB ILE A 33 0.842 -4.108 -4.519 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.531 -5.361 -5.061 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.666 -4.203 -3.011 1.00 0.00 C ATOM 432 CD1 ILE A 33 2.995 -5.453 -4.692 1.00 0.00 C ATOM 0 H ILE A 33 0.265 -2.974 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.126 -4.802 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 33 1.473 -3.246 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.013 -6.243 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.437 -5.377 -6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.638 -4.345 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.213 -3.284 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.020 -5.048 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.419 -6.366 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.526 -4.590 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.096 -5.469 -3.607 1.00 0.00 H new ATOM 444 N LEU A 34 -0.548 -1.569 -4.564 1.00 0.00 N ATOM 445 CA LEU A 34 -1.110 -0.351 -3.990 1.00 0.00 C ATOM 446 C LEU A 34 -0.335 0.877 -4.455 1.00 0.00 C ATOM 447 O LEU A 34 0.841 0.785 -4.804 1.00 0.00 O ATOM 448 CB LEU A 34 -1.094 -0.430 -2.462 1.00 0.00 C ATOM 449 CG LEU A 34 0.246 -0.794 -1.823 1.00 0.00 C ATOM 450 CD1 LEU A 34 1.071 0.457 -1.562 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.028 -1.569 -0.532 1.00 0.00 C ATOM 0 H LEU A 34 0.391 -1.460 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.141 -0.259 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.413 0.534 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.835 -1.165 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 34 0.796 -1.429 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.021 0.178 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.257 0.973 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.526 1.118 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.993 -1.820 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.543 -0.958 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.522 -2.485 -0.746 1.00 0.00 H new ATOM 463 N GLN A 35 -1.004 2.026 -4.456 1.00 0.00 N ATOM 464 CA GLN A 35 -0.377 3.274 -4.878 1.00 0.00 C ATOM 465 C GLN A 35 -0.078 4.165 -3.677 1.00 0.00 C ATOM 466 O GLN A 35 -0.983 4.759 -3.090 1.00 0.00 O ATOM 467 CB GLN A 35 -1.280 4.014 -5.866 1.00 0.00 C ATOM 468 CG GLN A 35 -0.625 5.237 -6.489 1.00 0.00 C ATOM 469 CD GLN A 35 -1.590 6.051 -7.328 1.00 0.00 C ATOM 470 OE1 GLN A 35 -2.807 5.888 -7.230 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.051 6.935 -8.160 1.00 0.00 N ATOM 0 H GLN A 35 -1.979 2.119 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 35 0.565 3.031 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.577 3.327 -6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.191 4.322 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.215 5.867 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.212 4.919 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.037 7.037 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.651 7.512 -8.750 1.00 0.00 H new ATOM 480 N LEU A 36 1.198 4.255 -3.316 1.00 0.00 N ATOM 481 CA LEU A 36 1.617 5.074 -2.185 1.00 0.00 C ATOM 482 C LEU A 36 1.130 6.511 -2.342 1.00 0.00 C ATOM 483 O LEU A 36 1.180 7.078 -3.434 1.00 0.00 O ATOM 484 CB LEU A 36 3.141 5.053 -2.051 1.00 0.00 C ATOM 485 CG LEU A 36 3.721 3.950 -1.165 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.443 2.581 -1.765 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.216 4.154 -0.969 1.00 0.00 C ATOM 0 H LEU A 36 1.960 3.771 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 36 1.173 4.656 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.572 4.956 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.464 6.016 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 36 3.236 4.002 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.863 1.809 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.367 2.434 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.900 2.517 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.612 3.360 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.717 4.130 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.392 5.119 -0.493 1.00 0.00 H new ATOM 499 N ARG A 37 0.659 7.095 -1.245 1.00 0.00 N ATOM 500 CA ARG A 37 0.164 8.466 -1.261 1.00 0.00 C ATOM 501 C ARG A 37 0.509 9.184 0.040 1.00 0.00 C ATOM 502 O ARG A 37 0.489 8.585 1.115 1.00 0.00 O ATOM 503 CB ARG A 37 -1.350 8.481 -1.478 1.00 0.00 C ATOM 504 CG ARG A 37 -1.755 8.541 -2.942 1.00 0.00 C ATOM 505 CD ARG A 37 -1.312 9.844 -3.590 1.00 0.00 C ATOM 506 NE ARG A 37 -1.891 10.019 -4.919 1.00 0.00 N ATOM 507 CZ ARG A 37 -3.111 10.498 -5.132 1.00 0.00 C ATOM 508 NH1 ARG A 37 -3.877 10.849 -4.109 1.00 0.00 N ATOM 509 NH2 ARG A 37 -3.567 10.628 -6.372 1.00 0.00 N ATOM 0 H ARG A 37 0.610 6.640 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 37 0.648 8.991 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.782 7.588 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.775 9.339 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.315 7.699 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.837 8.441 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.602 10.681 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.225 9.861 -3.663 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.327 9.759 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.530 10.752 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.814 11.217 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.980 10.360 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.504 10.996 -6.535 1.00 0.00 H new ATOM 697 N TYR A 51 8.488 8.528 -4.380 1.00 0.00 N ATOM 698 CA TYR A 51 8.521 7.390 -3.469 1.00 0.00 C ATOM 699 C TYR A 51 9.604 6.397 -3.876 1.00 0.00 C ATOM 700 O TYR A 51 9.488 5.717 -4.896 1.00 0.00 O ATOM 701 CB TYR A 51 7.159 6.694 -3.440 1.00 0.00 C ATOM 702 CG TYR A 51 6.004 7.633 -3.170 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.713 8.052 -1.878 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.206 8.100 -4.207 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.658 8.909 -1.627 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.151 8.958 -3.965 1.00 0.00 C ATOM 707 CZ TYR A 51 3.881 9.359 -2.673 1.00 0.00 C ATOM 708 OH TYR A 51 2.831 10.214 -2.427 1.00 0.00 O ATOM 0 HA TYR A 51 8.753 7.762 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.995 6.195 -4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.173 5.919 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.321 7.703 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.414 7.787 -5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.444 9.224 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.541 9.313 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 51 2.386 10.437 -3.271 1.00 0.00 H new ATOM 718 N VAL A 52 10.659 6.318 -3.071 1.00 0.00 N ATOM 719 CA VAL A 52 11.763 5.406 -3.345 1.00 0.00 C ATOM 720 C VAL A 52 11.902 4.363 -2.242 1.00 0.00 C ATOM 721 O VAL A 52 11.541 4.610 -1.091 1.00 0.00 O ATOM 722 CB VAL A 52 13.095 6.166 -3.489 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.099 7.002 -4.760 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.345 7.038 -2.267 1.00 0.00 C ATOM 0 H VAL A 52 10.772 6.875 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 52 11.534 4.906 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 52 13.903 5.438 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.048 7.531 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.969 6.351 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.283 7.724 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.290 7.568 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.535 7.760 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.389 6.412 -1.376 1.00 0.00 H new ATOM 734 N PHE A 53 12.428 3.197 -2.600 1.00 0.00 N ATOM 735 CA PHE A 53 12.615 2.115 -1.641 1.00 0.00 C ATOM 736 C PHE A 53 13.579 2.530 -0.534 1.00 0.00 C ATOM 737 O PHE A 53 14.784 2.640 -0.754 1.00 0.00 O ATOM 738 CB PHE A 53 13.139 0.863 -2.347 1.00 0.00 C ATOM 739 CG PHE A 53 12.051 -0.046 -2.843 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.266 -0.759 -1.952 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.814 -0.187 -4.201 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.264 -1.596 -2.405 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.813 -1.022 -4.660 1.00 0.00 C ATOM 744 CZ PHE A 53 10.038 -1.729 -3.761 1.00 0.00 C ATOM 0 H PHE A 53 12.733 2.977 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 53 11.648 1.891 -1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.762 1.165 -3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.779 0.309 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.439 -0.660 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.418 0.362 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.658 -2.145 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.637 -1.122 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.257 -2.384 -4.118 1.00 0.00 H new ATOM 754 N GLY A 54 13.038 2.760 0.659 1.00 0.00 N ATOM 755 CA GLY A 54 13.864 3.162 1.783 1.00 0.00 C ATOM 756 C GLY A 54 14.637 2.001 2.378 1.00 0.00 C ATOM 757 O GLY A 54 15.656 1.580 1.833 1.00 0.00 O ATOM 0 H GLY A 54 12.043 2.675 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.564 3.932 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.234 3.607 2.553 1.00 0.00 H new ATOM 761 N ALA A 55 14.151 1.484 3.502 1.00 0.00 N ATOM 762 CA ALA A 55 14.803 0.365 4.172 1.00 0.00 C ATOM 763 C ALA A 55 14.227 -0.966 3.703 1.00 0.00 C ATOM 764 O ALA A 55 13.405 -1.574 4.388 1.00 0.00 O ATOM 765 CB ALA A 55 14.664 0.500 5.681 1.00 0.00 C ATOM 0 H ALA A 55 13.309 1.822 3.967 1.00 0.00 H new ATOM 0 HA ALA A 55 15.861 0.385 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.155 -0.342 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.129 1.430 6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.608 0.509 5.950 1.00 0.00 H new ATOM 771 N ALA A 56 14.664 -1.414 2.530 1.00 0.00 N ATOM 772 CA ALA A 56 14.192 -2.675 1.970 1.00 0.00 C ATOM 773 C ALA A 56 15.353 -3.504 1.432 1.00 0.00 C ATOM 774 O ALA A 56 16.355 -2.961 0.965 1.00 0.00 O ATOM 775 CB ALA A 56 13.172 -2.415 0.871 1.00 0.00 C ATOM 0 H ALA A 56 15.344 -0.923 1.950 1.00 0.00 H new ATOM 0 HA ALA A 56 13.713 -3.243 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.828 -3.365 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.324 -1.869 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.633 -1.824 0.079 1.00 0.00 H new ATOM 781 N THR A 57 15.212 -4.825 1.500 1.00 0.00 N ATOM 782 CA THR A 57 16.250 -5.729 1.021 1.00 0.00 C ATOM 783 C THR A 57 16.160 -5.919 -0.489 1.00 0.00 C ATOM 784 O THR A 57 15.080 -5.828 -1.071 1.00 0.00 O ATOM 785 CB THR A 57 16.155 -7.106 1.707 1.00 0.00 C ATOM 786 OG1 THR A 57 17.144 -7.990 1.168 1.00 0.00 O ATOM 787 CG2 THR A 57 14.771 -7.709 1.520 1.00 0.00 C ATOM 0 H THR A 57 14.389 -5.292 1.882 1.00 0.00 H new ATOM 0 HA THR A 57 17.208 -5.272 1.270 1.00 0.00 H new ATOM 0 HB THR A 57 16.333 -6.970 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.079 -8.862 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.728 -8.680 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.024 -7.047 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.569 -7.832 0.456 1.00 0.00 H new ATOM 795 N GLU A 58 17.301 -6.185 -1.116 1.00 0.00 N ATOM 796 CA GLU A 58 17.350 -6.388 -2.560 1.00 0.00 C ATOM 797 C GLU A 58 16.254 -7.350 -3.011 1.00 0.00 C ATOM 798 O GLU A 58 15.674 -7.188 -4.084 1.00 0.00 O ATOM 799 CB GLU A 58 18.720 -6.926 -2.976 1.00 0.00 C ATOM 800 CG GLU A 58 19.083 -8.244 -2.313 1.00 0.00 C ATOM 801 CD GLU A 58 19.498 -8.073 -0.864 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.027 -6.995 -0.522 1.00 0.00 O ATOM 803 OE2 GLU A 58 19.295 -9.018 -0.073 1.00 0.00 O ATOM 0 H GLU A 58 18.204 -6.265 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 58 17.185 -5.425 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.736 -7.057 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.481 -6.185 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.230 -8.920 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.896 -8.713 -2.867 1.00 0.00 H new ATOM 810 N SER A 59 15.978 -8.352 -2.183 1.00 0.00 N ATOM 811 CA SER A 59 14.956 -9.344 -2.498 1.00 0.00 C ATOM 812 C SER A 59 13.600 -8.677 -2.712 1.00 0.00 C ATOM 813 O SER A 59 12.807 -9.111 -3.548 1.00 0.00 O ATOM 814 CB SER A 59 14.857 -10.379 -1.376 1.00 0.00 C ATOM 815 OG SER A 59 14.463 -11.643 -1.881 1.00 0.00 O ATOM 0 H SER A 59 16.447 -8.499 -1.289 1.00 0.00 H new ATOM 0 HA SER A 59 15.244 -9.847 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.820 -10.469 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.138 -10.042 -0.629 1.00 0.00 H new ATOM 0 HG SER A 59 14.409 -12.287 -1.144 1.00 0.00 H new ATOM 821 N VAL A 60 13.341 -7.620 -1.949 1.00 0.00 N ATOM 822 CA VAL A 60 12.082 -6.892 -2.055 1.00 0.00 C ATOM 823 C VAL A 60 12.080 -5.970 -3.269 1.00 0.00 C ATOM 824 O VAL A 60 11.030 -5.691 -3.848 1.00 0.00 O ATOM 825 CB VAL A 60 11.809 -6.056 -0.790 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.565 -5.200 -0.973 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.670 -6.960 0.426 1.00 0.00 C ATOM 0 H VAL A 60 13.986 -7.249 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 60 11.295 -7.637 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 60 12.657 -5.391 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.388 -4.617 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.708 -4.526 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.706 -5.843 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.477 -6.353 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.841 -7.651 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.592 -7.525 0.567 1.00 0.00 H new ATOM 837 N ARG A 61 13.264 -5.501 -3.651 1.00 0.00 N ATOM 838 CA ARG A 61 13.399 -4.610 -4.797 1.00 0.00 C ATOM 839 C ARG A 61 13.206 -5.373 -6.104 1.00 0.00 C ATOM 840 O ARG A 61 12.543 -4.892 -7.023 1.00 0.00 O ATOM 841 CB ARG A 61 14.772 -3.935 -4.786 1.00 0.00 C ATOM 842 CG ARG A 61 14.933 -2.903 -3.682 1.00 0.00 C ATOM 843 CD ARG A 61 16.270 -2.185 -3.782 1.00 0.00 C ATOM 844 NE ARG A 61 17.312 -2.857 -3.010 1.00 0.00 N ATOM 845 CZ ARG A 61 18.586 -2.483 -3.013 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.975 -1.447 -3.744 1.00 0.00 N ATOM 847 NH2 ARG A 61 19.475 -3.145 -2.283 1.00 0.00 N ATOM 0 H ARG A 61 14.143 -5.723 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 61 12.625 -3.846 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.542 -4.698 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.939 -3.453 -5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.123 -2.176 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.853 -3.392 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.573 -2.128 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.159 -1.161 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 61 17.046 -3.658 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.295 -0.935 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.954 -1.162 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.180 -3.942 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.453 -2.857 -2.286 1.00 0.00 H new ATOM 861 N ARG A 62 13.790 -6.564 -6.180 1.00 0.00 N ATOM 862 CA ARG A 62 13.685 -7.393 -7.375 1.00 0.00 C ATOM 863 C ARG A 62 12.341 -8.114 -7.419 1.00 0.00 C ATOM 864 O ARG A 62 11.803 -8.382 -8.494 1.00 0.00 O ATOM 865 CB ARG A 62 14.824 -8.412 -7.417 1.00 0.00 C ATOM 866 CG ARG A 62 14.727 -9.479 -6.340 1.00 0.00 C ATOM 867 CD ARG A 62 15.965 -10.362 -6.317 1.00 0.00 C ATOM 868 NE ARG A 62 15.936 -11.374 -7.370 1.00 0.00 N ATOM 869 CZ ARG A 62 17.020 -11.990 -7.827 1.00 0.00 C ATOM 870 NH1 ARG A 62 18.213 -11.701 -7.326 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.912 -12.900 -8.787 1.00 0.00 N ATOM 0 H ARG A 62 14.341 -6.977 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 62 13.758 -6.742 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.833 -8.894 -8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.774 -7.887 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.599 -9.005 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.844 -10.094 -6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.854 -9.743 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.043 -10.851 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 62 15.034 -11.621 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.300 -11.003 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.043 -12.176 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.996 -13.127 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.745 -13.373 -9.138 1.00 0.00 H new ATOM 885 N LEU A 63 11.804 -8.426 -6.245 1.00 0.00 N ATOM 886 CA LEU A 63 10.523 -9.117 -6.149 1.00 0.00 C ATOM 887 C LEU A 63 9.364 -8.149 -6.367 1.00 0.00 C ATOM 888 O LEU A 63 8.354 -8.501 -6.977 1.00 0.00 O ATOM 889 CB LEU A 63 10.387 -9.793 -4.783 1.00 0.00 C ATOM 890 CG LEU A 63 8.995 -10.318 -4.430 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.577 -11.415 -5.397 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.965 -10.829 -2.997 1.00 0.00 C ATOM 0 H LEU A 63 12.236 -8.211 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 63 10.489 -9.877 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.089 -10.626 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.690 -9.081 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 63 8.285 -9.495 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.584 -11.776 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.558 -11.018 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.289 -12.238 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.967 -11.199 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.687 -11.638 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.220 -10.017 -2.316 1.00 0.00 H new ATOM 904 N LEU A 64 9.518 -6.928 -5.867 1.00 0.00 N ATOM 905 CA LEU A 64 8.486 -5.907 -6.010 1.00 0.00 C ATOM 906 C LEU A 64 9.048 -4.653 -6.671 1.00 0.00 C ATOM 907 O LEU A 64 10.137 -4.193 -6.328 1.00 0.00 O ATOM 908 CB LEU A 64 7.895 -5.556 -4.643 1.00 0.00 C ATOM 909 CG LEU A 64 7.239 -6.707 -3.880 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.399 -6.513 -2.380 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.767 -6.822 -4.251 1.00 0.00 C ATOM 0 H LEU A 64 10.347 -6.621 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 64 7.698 -6.309 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.689 -5.141 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.154 -4.769 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 64 7.738 -7.635 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.926 -7.342 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.459 -6.481 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.927 -5.577 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.316 -7.646 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.255 -5.893 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.675 -7.009 -5.321 1.00 0.00 H new ATOM 923 N ARG A 65 8.296 -4.102 -7.619 1.00 0.00 N ATOM 924 CA ARG A 65 8.719 -2.900 -8.327 1.00 0.00 C ATOM 925 C ARG A 65 7.924 -1.685 -7.858 1.00 0.00 C ATOM 926 O ARG A 65 6.694 -1.719 -7.801 1.00 0.00 O ATOM 927 CB ARG A 65 8.547 -3.084 -9.836 1.00 0.00 C ATOM 928 CG ARG A 65 9.124 -1.944 -10.659 1.00 0.00 C ATOM 929 CD ARG A 65 8.677 -2.022 -12.110 1.00 0.00 C ATOM 930 NE ARG A 65 7.363 -1.419 -12.312 1.00 0.00 N ATOM 931 CZ ARG A 65 6.808 -1.249 -13.506 1.00 0.00 C ATOM 932 NH1 ARG A 65 7.449 -1.635 -14.600 1.00 0.00 N ATOM 933 NH2 ARG A 65 5.607 -0.692 -13.608 1.00 0.00 N ATOM 0 H ARG A 65 7.391 -4.469 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 65 9.773 -2.730 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.026 -4.016 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.485 -3.183 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.812 -0.991 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.213 -1.974 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.408 -1.518 -12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.649 -3.065 -12.425 1.00 0.00 H new ATOM 0 HE ARG A 65 6.843 -1.111 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.371 -2.064 -14.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.020 -1.503 -15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.110 -0.394 -12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.181 -0.562 -14.526 1.00 0.00 H new ATOM 947 N LEU A 66 8.634 -0.613 -7.524 1.00 0.00 N ATOM 948 CA LEU A 66 7.995 0.613 -7.059 1.00 0.00 C ATOM 949 C LEU A 66 8.225 1.754 -8.046 1.00 0.00 C ATOM 950 O LEU A 66 9.303 1.878 -8.626 1.00 0.00 O ATOM 951 CB LEU A 66 8.532 1.001 -5.680 1.00 0.00 C ATOM 952 CG LEU A 66 8.127 2.382 -5.166 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.647 2.409 -4.816 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.970 2.771 -3.960 1.00 0.00 C ATOM 0 H LEU A 66 9.652 -0.568 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 66 6.923 0.430 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.198 0.255 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.620 0.951 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 66 8.305 3.110 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.377 3.400 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.059 2.176 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.443 1.670 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.668 3.757 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.825 2.041 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.022 2.794 -4.244 1.00 0.00 H new ATOM 966 N ASP A 67 7.204 2.585 -8.229 1.00 0.00 N ATOM 967 CA ASP A 67 7.296 3.718 -9.142 1.00 0.00 C ATOM 968 C ASP A 67 7.503 5.019 -8.375 1.00 0.00 C ATOM 969 O ASP A 67 6.864 5.255 -7.350 1.00 0.00 O ATOM 970 CB ASP A 67 6.032 3.812 -9.999 1.00 0.00 C ATOM 971 CG ASP A 67 6.145 3.022 -11.288 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.022 1.781 -11.235 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.358 3.645 -12.349 1.00 0.00 O ATOM 0 H ASP A 67 6.304 2.495 -7.757 1.00 0.00 H new ATOM 0 HA ASP A 67 8.157 3.561 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.180 3.446 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.833 4.858 -10.234 1.00 0.00 H new ATOM 978 N GLU A 68 8.403 5.860 -8.877 1.00 0.00 N ATOM 979 CA GLU A 68 8.696 7.137 -8.237 1.00 0.00 C ATOM 980 C GLU A 68 8.077 8.292 -9.019 1.00 0.00 C ATOM 981 O GLU A 68 7.802 9.356 -8.464 1.00 0.00 O ATOM 982 CB GLU A 68 10.208 7.338 -8.119 1.00 0.00 C ATOM 983 CG GLU A 68 10.638 8.792 -8.218 1.00 0.00 C ATOM 984 CD GLU A 68 11.976 9.051 -7.553 1.00 0.00 C ATOM 985 OE1 GLU A 68 13.013 8.914 -8.236 1.00 0.00 O ATOM 986 OE2 GLU A 68 11.986 9.390 -6.351 1.00 0.00 O ATOM 0 H GLU A 68 8.941 5.680 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 68 8.260 7.123 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.547 6.932 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.704 6.767 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.697 9.079 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.879 9.424 -7.757 1.00 0.00 H new ATOM 993 N THR A 69 7.862 8.075 -10.313 1.00 0.00 N ATOM 994 CA THR A 69 7.278 9.097 -11.172 1.00 0.00 C ATOM 995 C THR A 69 5.806 9.319 -10.842 1.00 0.00 C ATOM 996 O THR A 69 5.271 10.408 -11.048 1.00 0.00 O ATOM 997 CB THR A 69 7.407 8.721 -12.660 1.00 0.00 C ATOM 998 OG1 THR A 69 6.694 9.664 -13.468 1.00 0.00 O ATOM 999 CG2 THR A 69 6.869 7.320 -12.913 1.00 0.00 C ATOM 0 H THR A 69 8.084 7.200 -10.789 1.00 0.00 H new ATOM 0 HA THR A 69 7.832 10.018 -10.988 1.00 0.00 H new ATOM 0 HB THR A 69 8.464 8.741 -12.926 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.783 9.418 -14.413 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.971 7.077 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.433 6.601 -12.319 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.817 7.278 -12.631 1.00 0.00 H new ATOM 1007 N SER A 70 5.157 8.280 -10.327 1.00 0.00 N ATOM 1008 CA SER A 70 3.746 8.360 -9.970 1.00 0.00 C ATOM 1009 C SER A 70 3.524 7.923 -8.525 1.00 0.00 C ATOM 1010 O SER A 70 2.727 8.516 -7.800 1.00 0.00 O ATOM 1011 CB SER A 70 2.909 7.492 -10.912 1.00 0.00 C ATOM 1012 OG SER A 70 3.506 6.220 -11.097 1.00 0.00 O ATOM 0 H SER A 70 5.586 7.372 -10.148 1.00 0.00 H new ATOM 0 HA SER A 70 3.431 9.399 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.905 7.371 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.804 7.992 -11.875 1.00 0.00 H new ATOM 0 HG SER A 70 2.952 5.683 -11.701 1.00 0.00 H new ATOM 1018 N GLY A 71 4.237 6.878 -8.114 1.00 0.00 N ATOM 1019 CA GLY A 71 4.105 6.378 -6.758 1.00 0.00 C ATOM 1020 C GLY A 71 3.217 5.152 -6.677 1.00 0.00 C ATOM 1021 O GLY A 71 2.426 5.012 -5.744 1.00 0.00 O ATOM 0 H GLY A 71 4.903 6.369 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.092 6.134 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.695 7.163 -6.123 1.00 0.00 H new ATOM 1025 N TRP A 72 3.345 4.264 -7.656 1.00 0.00 N ATOM 1026 CA TRP A 72 2.545 3.045 -7.692 1.00 0.00 C ATOM 1027 C TRP A 72 3.390 1.829 -7.328 1.00 0.00 C ATOM 1028 O TRP A 72 4.575 1.764 -7.656 1.00 0.00 O ATOM 1029 CB TRP A 72 1.928 2.856 -9.079 1.00 0.00 C ATOM 1030 CG TRP A 72 0.558 3.451 -9.206 1.00 0.00 C ATOM 1031 CD1 TRP A 72 0.249 4.716 -9.618 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.686 2.806 -8.917 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.113 4.896 -9.602 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.710 3.738 -9.177 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.036 1.530 -8.466 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.057 3.434 -8.999 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.374 1.230 -8.289 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.371 2.178 -8.556 1.00 0.00 C ATOM 0 H TRP A 72 3.995 4.365 -8.436 1.00 0.00 H new ATOM 0 HA TRP A 72 1.746 3.142 -6.957 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.583 3.307 -9.825 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.876 1.791 -9.303 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.969 5.465 -9.913 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.601 5.753 -9.864 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.275 0.792 -8.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -3.827 4.164 -9.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.656 0.248 -7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.407 1.912 -8.409 1.00 0.00 H new ATOM 1049 N LEU A 73 2.773 0.868 -6.649 1.00 0.00 N ATOM 1050 CA LEU A 73 3.469 -0.347 -6.240 1.00 0.00 C ATOM 1051 C LEU A 73 2.817 -1.581 -6.855 1.00 0.00 C ATOM 1052 O LEU A 73 1.592 -1.700 -6.880 1.00 0.00 O ATOM 1053 CB LEU A 73 3.477 -0.466 -4.715 1.00 0.00 C ATOM 1054 CG LEU A 73 4.350 -1.577 -4.133 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.822 -1.281 -4.374 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.076 -1.747 -2.645 1.00 0.00 C ATOM 0 H LEU A 73 1.793 0.907 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 73 4.497 -0.285 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.809 0.485 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.452 -0.622 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 73 4.100 -2.510 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.428 -2.083 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.008 -1.210 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.086 -0.337 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.706 -2.542 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.297 -0.815 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.028 -2.006 -2.495 1.00 0.00 H new ATOM 1068 N SER A 74 3.643 -2.498 -7.347 1.00 0.00 N ATOM 1069 CA SER A 74 3.147 -3.723 -7.963 1.00 0.00 C ATOM 1070 C SER A 74 4.211 -4.816 -7.933 1.00 0.00 C ATOM 1071 O SER A 74 5.378 -4.555 -7.640 1.00 0.00 O ATOM 1072 CB SER A 74 2.715 -3.455 -9.406 1.00 0.00 C ATOM 1073 OG SER A 74 3.839 -3.257 -10.246 1.00 0.00 O ATOM 0 H SER A 74 4.660 -2.416 -7.331 1.00 0.00 H new ATOM 0 HA SER A 74 2.284 -4.064 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.125 -4.294 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.073 -2.575 -9.439 1.00 0.00 H new ATOM 0 HG SER A 74 3.537 -3.089 -11.163 1.00 0.00 H new ATOM 1079 N VAL A 75 3.799 -6.043 -8.238 1.00 0.00 N ATOM 1080 CA VAL A 75 4.715 -7.177 -8.248 1.00 0.00 C ATOM 1081 C VAL A 75 5.655 -7.114 -9.447 1.00 0.00 C ATOM 1082 O VAL A 75 5.256 -6.715 -10.542 1.00 0.00 O ATOM 1083 CB VAL A 75 3.953 -8.514 -8.277 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.922 -9.684 -8.200 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.940 -8.575 -7.143 1.00 0.00 C ATOM 0 H VAL A 75 2.836 -6.277 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 75 5.299 -7.120 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 75 3.412 -8.583 -9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.364 -10.620 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.604 -9.648 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.493 -9.623 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.411 -9.527 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.457 -8.483 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.226 -7.758 -7.249 1.00 0.00 H new ATOM 1095 N LEU A 76 6.905 -7.510 -9.233 1.00 0.00 N ATOM 1096 CA LEU A 76 7.903 -7.499 -10.297 1.00 0.00 C ATOM 1097 C LEU A 76 8.212 -8.917 -10.768 1.00 0.00 C ATOM 1098 O LEU A 76 8.332 -9.172 -11.966 1.00 0.00 O ATOM 1099 CB LEU A 76 9.185 -6.819 -9.813 1.00 0.00 C ATOM 1100 CG LEU A 76 10.231 -6.518 -10.887 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.638 -5.642 -11.979 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.452 -5.852 -10.270 1.00 0.00 C ATOM 0 H LEU A 76 7.251 -7.842 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 76 7.496 -6.937 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.914 -5.883 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.644 -7.452 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 76 10.544 -7.460 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.397 -5.438 -12.734 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.795 -6.157 -12.441 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.296 -4.702 -11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.186 -5.645 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.155 -4.918 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.891 -6.516 -9.525 1.00 0.00 H new ATOM 1114 N HIS A 77 8.338 -9.837 -9.816 1.00 0.00 N ATOM 1115 CA HIS A 77 8.630 -11.230 -10.134 1.00 0.00 C ATOM 1116 C HIS A 77 7.686 -12.167 -9.386 1.00 0.00 C ATOM 1117 O HIS A 77 7.225 -11.853 -8.288 1.00 0.00 O ATOM 1118 CB HIS A 77 10.080 -11.562 -9.783 1.00 0.00 C ATOM 1119 CG HIS A 77 11.052 -11.225 -10.871 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.820 -11.506 -12.201 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.264 -10.624 -10.821 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.848 -11.095 -12.922 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.738 -10.556 -12.108 1.00 0.00 N ATOM 0 H HIS A 77 8.242 -9.643 -8.819 1.00 0.00 H new ATOM 0 HA HIS A 77 8.482 -11.371 -11.205 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.359 -11.022 -8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.156 -12.625 -9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.765 -10.265 -9.934 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.944 -11.184 -13.994 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.632 -10.154 -12.390 1.00 0.00 H new ATOM 1132 N ARG A 78 7.402 -13.317 -9.988 1.00 0.00 N ATOM 1133 CA ARG A 78 6.512 -14.299 -9.380 1.00 0.00 C ATOM 1134 C ARG A 78 6.790 -14.433 -7.886 1.00 0.00 C ATOM 1135 O ARG A 78 7.944 -14.494 -7.463 1.00 0.00 O ATOM 1136 CB ARG A 78 6.673 -15.658 -10.064 1.00 0.00 C ATOM 1137 CG ARG A 78 6.044 -15.722 -11.446 1.00 0.00 C ATOM 1138 CD ARG A 78 4.543 -15.951 -11.365 1.00 0.00 C ATOM 1139 NE ARG A 78 3.936 -16.077 -12.688 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.978 -17.189 -13.413 1.00 0.00 C ATOM 1141 NH1 ARG A 78 4.594 -18.266 -12.946 1.00 0.00 N ATOM 1142 NH2 ARG A 78 3.402 -17.225 -14.608 1.00 0.00 N ATOM 0 H ARG A 78 7.775 -13.592 -10.897 1.00 0.00 H new ATOM 0 HA ARG A 78 5.487 -13.953 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.735 -15.890 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.226 -16.427 -9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.243 -14.793 -11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.505 -16.526 -12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.345 -16.854 -10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.078 -15.123 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 78 3.454 -15.266 -13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.037 -18.242 -12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.625 -19.119 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.927 -16.398 -14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.435 -18.079 -15.164 1.00 0.00 H new ATOM 1156 N ILE A 79 5.725 -14.477 -7.093 1.00 0.00 N ATOM 1157 CA ILE A 79 5.854 -14.605 -5.647 1.00 0.00 C ATOM 1158 C ILE A 79 5.442 -15.996 -5.178 1.00 0.00 C ATOM 1159 O ILE A 79 4.496 -16.584 -5.704 1.00 0.00 O ATOM 1160 CB ILE A 79 5.003 -13.554 -4.910 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.414 -12.143 -5.336 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.142 -13.720 -3.405 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.354 -11.098 -5.070 1.00 0.00 C ATOM 0 H ILE A 79 4.763 -14.426 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 79 6.905 -14.441 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 79 3.957 -13.704 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.327 -11.865 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.649 -12.148 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.535 -12.970 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.805 -14.715 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.186 -13.594 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.714 -10.123 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.447 -11.352 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.135 -11.065 -4.003 1.00 0.00 H new ATOM 1175 N ASP A 80 6.156 -16.516 -4.186 1.00 0.00 N ATOM 1176 CA ASP A 80 5.862 -17.837 -3.643 1.00 0.00 C ATOM 1177 C ASP A 80 5.661 -17.772 -2.133 1.00 0.00 C ATOM 1178 O ASP A 80 6.486 -17.212 -1.410 1.00 0.00 O ATOM 1179 CB ASP A 80 6.992 -18.812 -3.978 1.00 0.00 C ATOM 1180 CG ASP A 80 6.627 -20.250 -3.668 1.00 0.00 C ATOM 1181 OD1 ASP A 80 6.828 -20.677 -2.511 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.141 -20.949 -4.581 1.00 0.00 O ATOM 0 H ASP A 80 6.943 -16.043 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 80 4.938 -18.193 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.243 -18.724 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.884 -18.537 -3.415 1.00 0.00 H new ATOM 1187 N ARG A 81 4.559 -18.347 -1.662 1.00 0.00 N ATOM 1188 CA ARG A 81 4.248 -18.352 -0.238 1.00 0.00 C ATOM 1189 C ARG A 81 5.268 -19.180 0.538 1.00 0.00 C ATOM 1190 O ARG A 81 5.574 -18.883 1.692 1.00 0.00 O ATOM 1191 CB ARG A 81 2.841 -18.905 -0.003 1.00 0.00 C ATOM 1192 CG ARG A 81 2.372 -18.785 1.437 1.00 0.00 C ATOM 1193 CD ARG A 81 2.767 -20.005 2.255 1.00 0.00 C ATOM 1194 NE ARG A 81 1.903 -20.187 3.419 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.765 -21.343 4.058 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.431 -22.414 3.648 1.00 0.00 N ATOM 1197 NH2 ARG A 81 0.960 -21.430 5.109 1.00 0.00 N ATOM 0 H ARG A 81 3.867 -18.816 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 81 4.291 -17.324 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.140 -18.377 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.818 -19.954 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.801 -17.890 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.289 -18.666 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.720 -20.894 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.801 -19.902 2.584 1.00 0.00 H new ATOM 0 HE ARG A 81 1.377 -19.382 3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.051 -22.351 2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.323 -23.301 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.446 -20.608 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.855 -22.319 5.599 1.00 0.00 H new ATOM 1211 N GLU A 82 5.789 -20.221 -0.104 1.00 0.00 N ATOM 1212 CA GLU A 82 6.773 -21.092 0.527 1.00 0.00 C ATOM 1213 C GLU A 82 8.025 -20.310 0.913 1.00 0.00 C ATOM 1214 O GLU A 82 8.410 -20.272 2.081 1.00 0.00 O ATOM 1215 CB GLU A 82 7.147 -22.241 -0.412 1.00 0.00 C ATOM 1216 CG GLU A 82 7.621 -23.490 0.313 1.00 0.00 C ATOM 1217 CD GLU A 82 8.512 -24.362 -0.550 1.00 0.00 C ATOM 1218 OE1 GLU A 82 9.718 -24.055 -0.659 1.00 0.00 O ATOM 1219 OE2 GLU A 82 8.004 -25.352 -1.116 1.00 0.00 O ATOM 0 H GLU A 82 5.546 -20.481 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 82 6.328 -21.502 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.282 -22.493 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.932 -21.905 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.164 -23.200 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.756 -24.069 0.636 1.00 0.00 H new ATOM 1226 N GLU A 83 8.656 -19.687 -0.078 1.00 0.00 N ATOM 1227 CA GLU A 83 9.864 -18.906 0.158 1.00 0.00 C ATOM 1228 C GLU A 83 9.608 -17.802 1.180 1.00 0.00 C ATOM 1229 O GLU A 83 10.476 -17.476 1.990 1.00 0.00 O ATOM 1230 CB GLU A 83 10.369 -18.297 -1.152 1.00 0.00 C ATOM 1231 CG GLU A 83 9.590 -17.069 -1.592 1.00 0.00 C ATOM 1232 CD GLU A 83 10.280 -16.310 -2.708 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.646 -16.945 -3.719 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.454 -15.081 -2.571 1.00 0.00 O ATOM 0 H GLU A 83 8.351 -19.708 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 83 10.626 -19.576 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.419 -18.029 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.317 -19.051 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.597 -17.373 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.452 -16.406 -0.738 1.00 0.00 H new ATOM 1241 N VAL A 84 8.410 -17.228 1.134 1.00 0.00 N ATOM 1242 CA VAL A 84 8.038 -16.160 2.055 1.00 0.00 C ATOM 1243 C VAL A 84 6.561 -16.243 2.425 1.00 0.00 C ATOM 1244 O VAL A 84 5.703 -16.416 1.560 1.00 0.00 O ATOM 1245 CB VAL A 84 8.328 -14.773 1.453 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.819 -14.599 1.205 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.540 -14.576 0.167 1.00 0.00 C ATOM 0 H VAL A 84 7.680 -17.485 0.469 1.00 0.00 H new ATOM 0 HA VAL A 84 8.642 -16.291 2.953 1.00 0.00 H new ATOM 0 HB VAL A 84 8.012 -14.013 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.004 -13.613 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.358 -14.695 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.164 -15.365 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.757 -13.590 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.824 -15.342 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.474 -14.654 0.378 1.00 0.00 H new ATOM 1257 N ASN A 85 6.272 -16.119 3.716 1.00 0.00 N ATOM 1258 CA ASN A 85 4.898 -16.179 4.201 1.00 0.00 C ATOM 1259 C ASN A 85 4.321 -14.778 4.376 1.00 0.00 C ATOM 1260 O ASN A 85 3.121 -14.565 4.201 1.00 0.00 O ATOM 1261 CB ASN A 85 4.837 -16.938 5.528 1.00 0.00 C ATOM 1262 CG ASN A 85 5.643 -16.260 6.620 1.00 0.00 C ATOM 1263 OD1 ASN A 85 5.100 -15.512 7.434 1.00 0.00 O ATOM 1264 ND2 ASN A 85 6.945 -16.518 6.640 1.00 0.00 N ATOM 0 H ASN A 85 6.971 -15.976 4.445 1.00 0.00 H new ATOM 0 HA ASN A 85 4.300 -16.708 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.798 -17.024 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.210 -17.952 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.539 -16.090 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.351 -17.144 5.945 1.00 0.00 H new ATOM 1271 N GLN A 86 5.183 -13.828 4.722 1.00 0.00 N ATOM 1272 CA GLN A 86 4.758 -12.447 4.921 1.00 0.00 C ATOM 1273 C GLN A 86 5.916 -11.482 4.689 1.00 0.00 C ATOM 1274 O GLN A 86 6.870 -11.443 5.467 1.00 0.00 O ATOM 1275 CB GLN A 86 4.198 -12.262 6.332 1.00 0.00 C ATOM 1276 CG GLN A 86 3.809 -10.827 6.648 1.00 0.00 C ATOM 1277 CD GLN A 86 3.684 -10.570 8.137 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.672 -10.286 8.815 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.465 -10.670 8.655 1.00 0.00 N ATOM 0 H GLN A 86 6.179 -13.989 4.870 1.00 0.00 H new ATOM 0 HA GLN A 86 3.975 -12.226 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.324 -12.902 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.941 -12.596 7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.554 -10.152 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.861 -10.596 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.674 -10.908 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.320 -10.509 9.652 1.00 0.00 H new ATOM 1288 N LEU A 87 5.827 -10.706 3.615 1.00 0.00 N ATOM 1289 CA LEU A 87 6.868 -9.740 3.280 1.00 0.00 C ATOM 1290 C LEU A 87 6.765 -8.500 4.162 1.00 0.00 C ATOM 1291 O LEU A 87 5.704 -8.205 4.713 1.00 0.00 O ATOM 1292 CB LEU A 87 6.768 -9.343 1.807 1.00 0.00 C ATOM 1293 CG LEU A 87 6.751 -10.494 0.800 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.233 -10.017 -0.548 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.141 -11.097 0.657 1.00 0.00 C ATOM 0 H LEU A 87 5.045 -10.726 2.961 1.00 0.00 H new ATOM 0 HA LEU A 87 7.836 -10.209 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.861 -8.755 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.609 -8.691 1.569 1.00 0.00 H new ATOM 0 HG LEU A 87 6.078 -11.267 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.228 -10.850 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.219 -9.633 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.880 -9.226 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.111 -11.915 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.835 -10.332 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.474 -11.477 1.623 1.00 0.00 H new ATOM 1307 N ARG A 88 7.872 -7.776 4.288 1.00 0.00 N ATOM 1308 CA ARG A 88 7.905 -6.567 5.102 1.00 0.00 C ATOM 1309 C ARG A 88 9.067 -5.667 4.691 1.00 0.00 C ATOM 1310 O ARG A 88 10.233 -6.036 4.834 1.00 0.00 O ATOM 1311 CB ARG A 88 8.024 -6.927 6.584 1.00 0.00 C ATOM 1312 CG ARG A 88 7.372 -5.914 7.511 1.00 0.00 C ATOM 1313 CD ARG A 88 8.038 -5.901 8.878 1.00 0.00 C ATOM 1314 NE ARG A 88 9.444 -5.517 8.799 1.00 0.00 N ATOM 1315 CZ ARG A 88 10.131 -5.024 9.823 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.543 -4.856 11.000 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.408 -4.698 9.673 1.00 0.00 N ATOM 0 H ARG A 88 8.758 -8.005 3.837 1.00 0.00 H new ATOM 0 HA ARG A 88 6.973 -6.025 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.569 -7.904 6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.079 -7.018 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.432 -4.921 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.314 -6.150 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.509 -5.208 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.957 -6.890 9.330 1.00 0.00 H new ATOM 0 HE ARG A 88 9.926 -5.634 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.561 -5.106 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.073 -4.477 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.864 -4.826 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.934 -4.319 10.461 1.00 0.00 H new ATOM 1331 N PHE A 89 8.741 -4.485 4.180 1.00 0.00 N ATOM 1332 CA PHE A 89 9.757 -3.532 3.747 1.00 0.00 C ATOM 1333 C PHE A 89 9.385 -2.113 4.165 1.00 0.00 C ATOM 1334 O PHE A 89 8.392 -1.897 4.860 1.00 0.00 O ATOM 1335 CB PHE A 89 9.935 -3.599 2.229 1.00 0.00 C ATOM 1336 CG PHE A 89 8.641 -3.529 1.470 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.000 -2.316 1.277 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.064 -4.677 0.950 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.809 -2.248 0.579 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.874 -4.615 0.251 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.245 -3.399 0.066 1.00 0.00 C ATOM 0 H PHE A 89 7.781 -4.164 4.055 1.00 0.00 H new ATOM 0 HA PHE A 89 10.698 -3.798 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.579 -2.779 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.448 -4.526 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.436 -1.413 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.550 -5.631 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.320 -1.296 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.436 -5.517 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.314 -3.349 -0.479 1.00 0.00 H new ATOM 1351 N THR A 90 10.191 -1.146 3.736 1.00 0.00 N ATOM 1352 CA THR A 90 9.949 0.253 4.066 1.00 0.00 C ATOM 1353 C THR A 90 10.072 1.138 2.831 1.00 0.00 C ATOM 1354 O THR A 90 10.889 0.880 1.948 1.00 0.00 O ATOM 1355 CB THR A 90 10.931 0.754 5.143 1.00 0.00 C ATOM 1356 OG1 THR A 90 11.061 -0.224 6.180 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.456 2.071 5.737 1.00 0.00 C ATOM 0 H THR A 90 11.017 -1.307 3.159 1.00 0.00 H new ATOM 0 HA THR A 90 8.932 0.315 4.454 1.00 0.00 H new ATOM 0 HB THR A 90 11.901 0.915 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.762 -0.865 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.165 2.405 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.386 2.821 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.476 1.932 6.193 1.00 0.00 H new ATOM 1365 N VAL A 91 9.254 2.185 2.776 1.00 0.00 N ATOM 1366 CA VAL A 91 9.272 3.110 1.649 1.00 0.00 C ATOM 1367 C VAL A 91 9.561 4.534 2.112 1.00 0.00 C ATOM 1368 O VAL A 91 9.167 4.933 3.208 1.00 0.00 O ATOM 1369 CB VAL A 91 7.934 3.092 0.886 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.702 1.731 0.247 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.786 3.456 1.816 1.00 0.00 C ATOM 0 H VAL A 91 8.571 2.413 3.498 1.00 0.00 H new ATOM 0 HA VAL A 91 10.067 2.779 0.981 1.00 0.00 H new ATOM 0 HB VAL A 91 7.978 3.837 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.752 1.737 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.510 1.515 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.677 0.965 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.848 3.438 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.737 2.736 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.949 4.455 2.222 1.00 0.00 H new ATOM 1381 N MET A 92 10.252 5.295 1.270 1.00 0.00 N ATOM 1382 CA MET A 92 10.592 6.676 1.592 1.00 0.00 C ATOM 1383 C MET A 92 9.830 7.647 0.696 1.00 0.00 C ATOM 1384 O MET A 92 9.486 7.320 -0.439 1.00 0.00 O ATOM 1385 CB MET A 92 12.098 6.901 1.442 1.00 0.00 C ATOM 1386 CG MET A 92 12.883 6.631 2.716 1.00 0.00 C ATOM 1387 SD MET A 92 14.366 7.648 2.847 1.00 0.00 S ATOM 1388 CE MET A 92 15.069 7.433 1.214 1.00 0.00 C ATOM 0 H MET A 92 10.587 4.979 0.360 1.00 0.00 H new ATOM 0 HA MET A 92 10.305 6.863 2.627 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.476 6.256 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.274 7.930 1.128 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.243 6.816 3.579 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.165 5.579 2.748 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.120 7.721 1.229 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.984 6.388 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.532 8.059 0.501 1.00 0.00 H new ATOM 1398 N ALA A 93 9.568 8.843 1.215 1.00 0.00 N ATOM 1399 CA ALA A 93 8.848 9.862 0.461 1.00 0.00 C ATOM 1400 C ALA A 93 9.592 11.193 0.489 1.00 0.00 C ATOM 1401 O ALA A 93 9.598 11.890 1.503 1.00 0.00 O ATOM 1402 CB ALA A 93 7.440 10.030 1.013 1.00 0.00 C ATOM 0 H ALA A 93 9.844 9.129 2.154 1.00 0.00 H new ATOM 0 HA ALA A 93 8.783 9.534 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.914 10.794 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.904 9.084 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.493 10.332 2.059 1.00 0.00 H new ATOM 1408 N ARG A 94 10.217 11.539 -0.631 1.00 0.00 N ATOM 1409 CA ARG A 94 10.966 12.786 -0.735 1.00 0.00 C ATOM 1410 C ARG A 94 10.038 13.951 -1.068 1.00 0.00 C ATOM 1411 O ARG A 94 8.930 13.752 -1.566 1.00 0.00 O ATOM 1412 CB ARG A 94 12.054 12.665 -1.802 1.00 0.00 C ATOM 1413 CG ARG A 94 12.891 11.402 -1.679 1.00 0.00 C ATOM 1414 CD ARG A 94 14.099 11.442 -2.603 1.00 0.00 C ATOM 1415 NE ARG A 94 14.573 10.103 -2.942 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.416 9.409 -2.186 1.00 0.00 C ATOM 1417 NH1 ARG A 94 15.875 9.924 -1.054 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.801 8.196 -2.561 1.00 0.00 N ATOM 0 H ARG A 94 10.220 10.973 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 94 11.434 12.981 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.589 12.688 -2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.710 13.533 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.224 11.284 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.278 10.533 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.839 11.977 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.903 12.001 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 94 14.238 9.678 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.581 10.856 -0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.522 9.388 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.450 7.796 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.448 7.664 -1.980 1.00 0.00 H new ATOM 1520 N LYS A 101 13.098 16.181 2.716 1.00 0.00 N ATOM 1521 CA LYS A 101 12.551 15.490 3.877 1.00 0.00 C ATOM 1522 C LYS A 101 11.950 14.146 3.478 1.00 0.00 C ATOM 1523 O LYS A 101 10.946 14.090 2.766 1.00 0.00 O ATOM 1524 CB LYS A 101 11.487 16.355 4.557 1.00 0.00 C ATOM 1525 CG LYS A 101 11.087 15.856 5.935 1.00 0.00 C ATOM 1526 CD LYS A 101 11.918 16.510 7.027 1.00 0.00 C ATOM 1527 CE LYS A 101 13.130 15.664 7.386 1.00 0.00 C ATOM 1528 NZ LYS A 101 12.738 14.351 7.969 1.00 0.00 N ATOM 0 HA LYS A 101 13.366 15.309 4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.861 17.375 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.602 16.393 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.031 16.064 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.210 14.774 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.246 17.495 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.302 16.660 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.735 15.499 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.753 16.206 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.494 14.010 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.859 14.462 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.587 13.663 7.204 1.00 0.00 H new ATOM 1542 N THR A 102 12.569 13.064 3.941 1.00 0.00 N ATOM 1543 CA THR A 102 12.095 11.721 3.632 1.00 0.00 C ATOM 1544 C THR A 102 11.397 11.095 4.833 1.00 0.00 C ATOM 1545 O THR A 102 11.748 11.371 5.980 1.00 0.00 O ATOM 1546 CB THR A 102 13.252 10.806 3.189 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.394 11.021 4.024 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.622 11.066 1.736 1.00 0.00 C ATOM 0 H THR A 102 13.400 13.092 4.532 1.00 0.00 H new ATOM 0 HA THR A 102 11.383 11.817 2.812 1.00 0.00 H new ATOM 0 HB THR A 102 12.924 9.771 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 102 15.124 10.434 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.441 10.408 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.758 10.872 1.100 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.932 12.105 1.620 1.00 0.00 H new ATOM 1556 N ASP A 103 10.408 10.250 4.563 1.00 0.00 N ATOM 1557 CA ASP A 103 9.662 9.582 5.623 1.00 0.00 C ATOM 1558 C ASP A 103 9.545 8.086 5.345 1.00 0.00 C ATOM 1559 O ASP A 103 9.088 7.676 4.278 1.00 0.00 O ATOM 1560 CB ASP A 103 8.269 10.198 5.761 1.00 0.00 C ATOM 1561 CG ASP A 103 8.245 11.361 6.734 1.00 0.00 C ATOM 1562 OD1 ASP A 103 9.188 12.179 6.704 1.00 0.00 O ATOM 1563 OD2 ASP A 103 7.284 11.453 7.526 1.00 0.00 O ATOM 0 H ASP A 103 10.104 10.011 3.619 1.00 0.00 H new ATOM 0 HA ASP A 103 10.205 9.718 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.927 10.538 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.568 9.433 6.096 1.00 0.00 H new ATOM 1568 N LYS A 104 9.962 7.276 6.312 1.00 0.00 N ATOM 1569 CA LYS A 104 9.904 5.825 6.174 1.00 0.00 C ATOM 1570 C LYS A 104 8.548 5.290 6.624 1.00 0.00 C ATOM 1571 O LYS A 104 8.073 5.613 7.712 1.00 0.00 O ATOM 1572 CB LYS A 104 11.020 5.170 6.990 1.00 0.00 C ATOM 1573 CG LYS A 104 12.334 5.051 6.237 1.00 0.00 C ATOM 1574 CD LYS A 104 13.505 4.860 7.187 1.00 0.00 C ATOM 1575 CE LYS A 104 14.070 6.195 7.649 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.296 6.021 8.477 1.00 0.00 N ATOM 0 H LYS A 104 10.344 7.600 7.201 1.00 0.00 H new ATOM 0 HA LYS A 104 10.040 5.579 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.183 5.750 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.697 4.176 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.284 4.209 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.493 5.947 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.182 4.281 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.287 4.284 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.303 6.811 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.315 6.729 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.651 6.953 8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.069 5.454 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.026 5.534 7.919 1.00 0.00 H new ATOM 1590 N ALA A 105 7.932 4.468 5.780 1.00 0.00 N ATOM 1591 CA ALA A 105 6.633 3.885 6.093 1.00 0.00 C ATOM 1592 C ALA A 105 6.663 2.368 5.944 1.00 0.00 C ATOM 1593 O ALA A 105 7.002 1.843 4.883 1.00 0.00 O ATOM 1594 CB ALA A 105 5.557 4.484 5.200 1.00 0.00 C ATOM 0 H ALA A 105 8.312 4.191 4.875 1.00 0.00 H new ATOM 0 HA ALA A 105 6.398 4.118 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.592 4.040 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.511 5.561 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.796 4.281 4.156 1.00 0.00 H new ATOM 1600 N THR A 106 6.305 1.666 7.015 1.00 0.00 N ATOM 1601 CA THR A 106 6.293 0.208 7.004 1.00 0.00 C ATOM 1602 C THR A 106 5.167 -0.325 6.126 1.00 0.00 C ATOM 1603 O THR A 106 4.046 0.183 6.159 1.00 0.00 O ATOM 1604 CB THR A 106 6.134 -0.363 8.426 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.092 0.237 9.305 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.313 -1.873 8.426 1.00 0.00 C ATOM 0 H THR A 106 6.020 2.084 7.901 1.00 0.00 H new ATOM 0 HA THR A 106 7.252 -0.113 6.596 1.00 0.00 H new ATOM 0 HB THR A 106 5.128 -0.133 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.983 -0.130 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.196 -2.253 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.563 -2.328 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.308 -2.121 8.058 1.00 0.00 H new ATOM 1614 N VAL A 107 5.472 -1.353 5.340 1.00 0.00 N ATOM 1615 CA VAL A 107 4.485 -1.957 4.453 1.00 0.00 C ATOM 1616 C VAL A 107 4.343 -3.450 4.725 1.00 0.00 C ATOM 1617 O VAL A 107 5.208 -4.245 4.356 1.00 0.00 O ATOM 1618 CB VAL A 107 4.858 -1.749 2.974 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.895 -2.504 2.069 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.872 -0.267 2.632 1.00 0.00 C ATOM 0 H VAL A 107 6.395 -1.785 5.300 1.00 0.00 H new ATOM 0 HA VAL A 107 3.535 -1.462 4.653 1.00 0.00 H new ATOM 0 HB VAL A 107 5.860 -2.146 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.174 -2.345 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.939 -3.569 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.881 -2.140 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.138 -0.138 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.884 0.157 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.605 0.244 3.257 1.00 0.00 H new ATOM 1630 N VAL A 108 3.244 -3.827 5.373 1.00 0.00 N ATOM 1631 CA VAL A 108 2.987 -5.226 5.693 1.00 0.00 C ATOM 1632 C VAL A 108 2.062 -5.864 4.663 1.00 0.00 C ATOM 1633 O VAL A 108 0.895 -5.486 4.542 1.00 0.00 O ATOM 1634 CB VAL A 108 2.361 -5.375 7.092 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.042 -6.834 7.382 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.288 -4.802 8.154 1.00 0.00 C ATOM 0 H VAL A 108 2.518 -3.183 5.686 1.00 0.00 H new ATOM 0 HA VAL A 108 3.950 -5.737 5.678 1.00 0.00 H new ATOM 0 HB VAL A 108 1.428 -4.813 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.600 -6.919 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.338 -7.207 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.959 -7.422 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.830 -4.916 9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.239 -5.335 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.460 -3.744 7.954 1.00 0.00 H new ATOM 1646 N LEU A 109 2.588 -6.833 3.924 1.00 0.00 N ATOM 1647 CA LEU A 109 1.809 -7.526 2.903 1.00 0.00 C ATOM 1648 C LEU A 109 1.557 -8.977 3.302 1.00 0.00 C ATOM 1649 O LEU A 109 2.454 -9.815 3.231 1.00 0.00 O ATOM 1650 CB LEU A 109 2.534 -7.474 1.557 1.00 0.00 C ATOM 1651 CG LEU A 109 2.787 -6.079 0.985 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.537 -6.171 -0.335 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.475 -5.330 0.804 1.00 0.00 C ATOM 0 H LEU A 109 3.551 -7.158 4.012 1.00 0.00 H new ATOM 0 HA LEU A 109 0.847 -7.021 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.493 -7.981 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.952 -8.042 0.831 1.00 0.00 H new ATOM 0 HG LEU A 109 3.404 -5.524 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.708 -5.168 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.495 -6.667 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.947 -6.744 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.675 -4.339 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.833 -5.882 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.976 -5.231 1.768 1.00 0.00 H new ATOM 1665 N ASN A 110 0.329 -9.265 3.719 1.00 0.00 N ATOM 1666 CA ASN A 110 -0.042 -10.616 4.128 1.00 0.00 C ATOM 1667 C ASN A 110 -0.230 -11.519 2.913 1.00 0.00 C ATOM 1668 O ASN A 110 -1.076 -11.257 2.057 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.327 -10.585 4.958 1.00 0.00 C ATOM 1670 CG ASN A 110 -1.132 -9.907 6.300 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -1.129 -10.560 7.344 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.968 -8.589 6.279 1.00 0.00 N ATOM 0 H ASN A 110 -0.426 -8.582 3.783 1.00 0.00 H new ATOM 0 HA ASN A 110 0.767 -11.020 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.104 -10.063 4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.678 -11.604 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.833 -8.078 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.977 -8.088 5.391 1.00 0.00 H new ATOM 1679 N ILE A 111 0.563 -12.583 2.846 1.00 0.00 N ATOM 1680 CA ILE A 111 0.482 -13.526 1.737 1.00 0.00 C ATOM 1681 C ILE A 111 -0.805 -14.340 1.800 1.00 0.00 C ATOM 1682 O ILE A 111 -0.865 -15.379 2.460 1.00 0.00 O ATOM 1683 CB ILE A 111 1.685 -14.488 1.728 1.00 0.00 C ATOM 1684 CG1 ILE A 111 2.996 -13.700 1.709 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.606 -15.424 0.531 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.196 -12.889 0.448 1.00 0.00 C ATOM 0 H ILE A 111 1.268 -12.814 3.546 1.00 0.00 H new ATOM 0 HA ILE A 111 0.491 -12.937 0.820 1.00 0.00 H new ATOM 0 HB ILE A 111 1.657 -15.089 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.021 -13.031 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 111 3.829 -14.394 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.463 -16.098 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.686 -16.006 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.612 -14.839 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.146 -12.357 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.204 -13.555 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.383 -12.170 0.345 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.835 -13.864 1.108 1.00 0.00 N ATOM 1699 CA LYS A 112 -3.122 -14.548 1.082 1.00 0.00 C ATOM 1700 C LYS A 112 -2.985 -15.941 0.476 1.00 0.00 C ATOM 1701 O LYS A 112 -1.933 -16.297 -0.056 1.00 0.00 O ATOM 1702 CB LYS A 112 -4.141 -13.731 0.285 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.509 -12.411 0.940 1.00 0.00 C ATOM 1704 CD LYS A 112 -5.573 -12.597 2.009 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.954 -12.769 1.396 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.963 -13.185 2.410 1.00 0.00 N ATOM 0 H LYS A 112 -1.803 -13.006 0.557 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.472 -14.651 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.739 -13.534 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.045 -14.325 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.620 -11.964 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.871 -11.716 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.332 -13.470 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.575 -11.735 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.267 -11.832 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.909 -13.514 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.891 -13.292 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.678 -14.092 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.025 -12.462 3.155 1.00 0.00 H new ATOM 1720 N ASP A 113 -4.055 -16.725 0.557 1.00 0.00 N ATOM 1721 CA ASP A 113 -4.055 -18.078 0.014 1.00 0.00 C ATOM 1722 C ASP A 113 -5.227 -18.280 -0.941 1.00 0.00 C ATOM 1723 O ASP A 113 -6.316 -18.676 -0.528 1.00 0.00 O ATOM 1724 CB ASP A 113 -4.121 -19.105 1.146 1.00 0.00 C ATOM 1725 CG ASP A 113 -2.863 -19.116 1.991 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -2.747 -18.261 2.894 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -1.995 -19.981 1.750 1.00 0.00 O ATOM 0 H ASP A 113 -4.934 -16.446 0.994 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.128 -18.220 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.980 -18.887 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.280 -20.097 0.724 1.00 0.00 H new