USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 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 Set 1.1: A 57 THR OG1 : rot 180:sc= -0.0323 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.209 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 55:sc= 0.0179 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 27 SER OG : rot 94:sc= 0.973 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.62) USER MOD Single : A 51 TYR OH : 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=-0.00451 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.14) USER MOD Single : A 85 ASN : amide:sc= 0.131 K(o=0.13,f=-2.2!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -169:sc= -1 (180deg=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 153:sc= 0.992 USER MOD Single : A 104 LYS NZ :NH3+ -121:sc=-0.00727 (180deg=-0.723) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.026) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.545 15.996 4.356 1.00 0.00 N ATOM 118 CA PRO A 12 5.844 14.911 3.663 1.00 0.00 C ATOM 119 C PRO A 12 5.558 13.727 4.580 1.00 0.00 C ATOM 120 O PRO A 12 6.479 13.078 5.077 1.00 0.00 O ATOM 121 CB PRO A 12 6.821 14.507 2.556 1.00 0.00 C ATOM 122 CG PRO A 12 8.161 14.904 3.070 1.00 0.00 C ATOM 123 CD PRO A 12 7.938 16.139 3.899 1.00 0.00 C ATOM 0 HA PRO A 12 4.868 15.227 3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.774 13.436 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.590 15.015 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.601 14.107 3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.850 15.104 2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.633 16.191 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.077 17.047 3.313 1.00 0.00 H new ATOM 131 N ARG A 13 4.277 13.450 4.799 1.00 0.00 N ATOM 132 CA ARG A 13 3.870 12.343 5.657 1.00 0.00 C ATOM 133 C ARG A 13 2.868 11.441 4.942 1.00 0.00 C ATOM 134 O ARG A 13 1.876 11.915 4.388 1.00 0.00 O ATOM 135 CB ARG A 13 3.260 12.874 6.955 1.00 0.00 C ATOM 136 CG ARG A 13 3.035 11.799 8.006 1.00 0.00 C ATOM 137 CD ARG A 13 4.322 11.460 8.740 1.00 0.00 C ATOM 138 NE ARG A 13 4.077 10.643 9.926 1.00 0.00 N ATOM 139 CZ ARG A 13 5.037 10.235 10.748 1.00 0.00 C ATOM 140 NH1 ARG A 13 6.300 10.565 10.515 1.00 0.00 N ATOM 141 NH2 ARG A 13 4.735 9.494 11.807 1.00 0.00 N ATOM 0 H ARG A 13 3.503 13.977 4.394 1.00 0.00 H new ATOM 0 HA ARG A 13 4.756 11.755 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.915 13.642 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.308 13.355 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.286 12.139 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.638 10.902 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.994 10.929 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.826 12.381 9.032 1.00 0.00 H new ATOM 0 HE ARG A 13 3.116 10.371 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.537 11.134 9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.035 10.250 11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.765 9.237 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.473 9.181 12.438 1.00 0.00 H new ATOM 155 N PHE A 14 3.134 10.139 4.959 1.00 0.00 N ATOM 156 CA PHE A 14 2.257 9.171 4.312 1.00 0.00 C ATOM 157 C PHE A 14 0.888 9.143 4.985 1.00 0.00 C ATOM 158 O PHE A 14 0.747 9.533 6.144 1.00 0.00 O ATOM 159 CB PHE A 14 2.885 7.776 4.350 1.00 0.00 C ATOM 160 CG PHE A 14 3.978 7.584 3.338 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.679 7.466 1.990 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.304 7.520 3.734 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.682 7.287 1.057 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.312 7.342 2.805 1.00 0.00 C ATOM 165 CZ PHE A 14 6.001 7.227 1.464 1.00 0.00 C ATOM 0 H PHE A 14 3.950 9.730 5.414 1.00 0.00 H new ATOM 0 HA PHE A 14 2.126 9.475 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.287 7.594 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.108 7.031 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.650 7.515 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.553 7.610 4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.435 7.194 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.342 7.293 3.127 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.787 7.091 0.736 1.00 0.00 H new ATOM 175 N GLU A 15 -0.117 8.679 4.249 1.00 0.00 N ATOM 176 CA GLU A 15 -1.476 8.601 4.774 1.00 0.00 C ATOM 177 C GLU A 15 -1.553 7.619 5.940 1.00 0.00 C ATOM 178 O GLU A 15 -2.163 7.907 6.970 1.00 0.00 O ATOM 179 CB GLU A 15 -2.449 8.179 3.672 1.00 0.00 C ATOM 180 CG GLU A 15 -2.359 9.035 2.420 1.00 0.00 C ATOM 181 CD GLU A 15 -3.681 9.134 1.684 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.725 9.268 2.357 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.672 9.077 0.437 1.00 0.00 O ATOM 0 H GLU A 15 -0.016 8.352 3.288 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.756 9.590 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.255 7.140 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.466 8.224 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.023 10.036 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.606 8.617 1.752 1.00 0.00 H new ATOM 190 N LYS A 16 -0.930 6.458 5.770 1.00 0.00 N ATOM 191 CA LYS A 16 -0.926 5.432 6.806 1.00 0.00 C ATOM 192 C LYS A 16 0.497 5.125 7.262 1.00 0.00 C ATOM 193 O LYS A 16 1.392 4.924 6.441 1.00 0.00 O ATOM 194 CB LYS A 16 -1.595 4.156 6.291 1.00 0.00 C ATOM 195 CG LYS A 16 -2.957 4.394 5.663 1.00 0.00 C ATOM 196 CD LYS A 16 -3.455 3.161 4.927 1.00 0.00 C ATOM 197 CE LYS A 16 -2.902 3.096 3.512 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.825 2.379 2.589 1.00 0.00 N ATOM 0 H LYS A 16 -0.421 6.204 4.924 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.488 5.810 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.943 3.685 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.703 3.454 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.672 4.670 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.898 5.233 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.162 2.266 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.544 3.171 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.731 4.107 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.935 2.593 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.413 2.356 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.968 1.406 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.739 2.874 2.559 1.00 0.00 H new ATOM 212 N SER A 17 0.698 5.089 8.575 1.00 0.00 N ATOM 213 CA SER A 17 2.013 4.808 9.140 1.00 0.00 C ATOM 214 C SER A 17 2.544 3.468 8.639 1.00 0.00 C ATOM 215 O SER A 17 3.719 3.343 8.293 1.00 0.00 O ATOM 216 CB SER A 17 1.944 4.803 10.668 1.00 0.00 C ATOM 217 OG SER A 17 1.473 6.045 11.161 1.00 0.00 O ATOM 0 H SER A 17 -0.033 5.251 9.268 1.00 0.00 H new ATOM 0 HA SER A 17 2.696 5.594 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.285 4.002 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.932 4.596 11.079 1.00 0.00 H new ATOM 0 HG SER A 17 1.436 6.016 12.140 1.00 0.00 H new ATOM 223 N VAL A 18 1.669 2.468 8.604 1.00 0.00 N ATOM 224 CA VAL A 18 2.048 1.137 8.145 1.00 0.00 C ATOM 225 C VAL A 18 1.086 0.629 7.076 1.00 0.00 C ATOM 226 O VAL A 18 0.024 0.090 7.388 1.00 0.00 O ATOM 227 CB VAL A 18 2.082 0.130 9.310 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.605 -1.218 8.837 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.927 0.667 10.454 1.00 0.00 C ATOM 0 H VAL A 18 0.693 2.554 8.888 1.00 0.00 H new ATOM 0 HA VAL A 18 3.048 1.222 7.719 1.00 0.00 H new ATOM 0 HB VAL A 18 1.065 -0.010 9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.622 -1.916 9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.954 -1.606 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.615 -1.099 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.940 -0.058 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.945 0.838 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.503 1.606 10.810 1.00 0.00 H new ATOM 239 N TYR A 19 1.466 0.804 5.816 1.00 0.00 N ATOM 240 CA TYR A 19 0.636 0.365 4.700 1.00 0.00 C ATOM 241 C TYR A 19 0.439 -1.147 4.729 1.00 0.00 C ATOM 242 O TYR A 19 1.313 -1.906 4.311 1.00 0.00 O ATOM 243 CB TYR A 19 1.269 0.783 3.371 1.00 0.00 C ATOM 244 CG TYR A 19 0.945 2.203 2.965 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.150 3.261 3.841 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.433 2.485 1.705 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.854 4.560 3.475 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.135 3.781 1.329 1.00 0.00 C ATOM 249 CZ TYR A 19 0.347 4.815 2.218 1.00 0.00 C ATOM 250 OH TYR A 19 0.052 6.107 1.848 1.00 0.00 O ATOM 0 H TYR A 19 2.343 1.247 5.541 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.339 0.842 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.351 0.673 3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.931 0.104 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.548 3.065 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.265 1.678 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.019 5.371 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.262 3.983 0.345 1.00 0.00 H new ATOM 0 HH TYR A 19 0.846 6.670 1.964 1.00 0.00 H new ATOM 260 N GLU A 20 -0.717 -1.577 5.226 1.00 0.00 N ATOM 261 CA GLU A 20 -1.029 -2.999 5.311 1.00 0.00 C ATOM 262 C GLU A 20 -2.004 -3.408 4.210 1.00 0.00 C ATOM 263 O GLU A 20 -3.188 -3.078 4.260 1.00 0.00 O ATOM 264 CB GLU A 20 -1.622 -3.333 6.681 1.00 0.00 C ATOM 265 CG GLU A 20 -1.402 -4.776 7.104 1.00 0.00 C ATOM 266 CD GLU A 20 -1.637 -4.991 8.587 1.00 0.00 C ATOM 267 OE1 GLU A 20 -1.038 -4.251 9.395 1.00 0.00 O ATOM 268 OE2 GLU A 20 -2.419 -5.899 8.938 1.00 0.00 O ATOM 0 H GLU A 20 -1.452 -0.962 5.575 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.102 -3.557 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.182 -2.673 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.692 -3.127 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.071 -5.423 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.383 -5.073 6.854 1.00 0.00 H new ATOM 275 N ALA A 21 -1.495 -4.128 3.215 1.00 0.00 N ATOM 276 CA ALA A 21 -2.319 -4.583 2.103 1.00 0.00 C ATOM 277 C ALA A 21 -2.273 -6.102 1.971 1.00 0.00 C ATOM 278 O ALA A 21 -1.419 -6.760 2.565 1.00 0.00 O ATOM 279 CB ALA A 21 -1.868 -3.925 0.807 1.00 0.00 C ATOM 0 H ALA A 21 -0.516 -4.408 3.157 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.350 -4.293 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.493 -4.274 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.959 -2.843 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.828 -4.186 0.609 1.00 0.00 H new ATOM 285 N ASP A 22 -3.196 -6.652 1.190 1.00 0.00 N ATOM 286 CA ASP A 22 -3.260 -8.093 0.980 1.00 0.00 C ATOM 287 C ASP A 22 -2.837 -8.455 -0.440 1.00 0.00 C ATOM 288 O ASP A 22 -3.512 -8.105 -1.409 1.00 0.00 O ATOM 289 CB ASP A 22 -4.675 -8.607 1.250 1.00 0.00 C ATOM 290 CG ASP A 22 -5.714 -7.929 0.379 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.453 -6.798 -0.084 1.00 0.00 O ATOM 292 OD2 ASP A 22 -6.786 -8.528 0.159 1.00 0.00 O ATOM 0 H ASP A 22 -3.910 -6.121 0.692 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.570 -8.567 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.707 -9.683 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.923 -8.445 2.299 1.00 0.00 H new ATOM 297 N LEU A 23 -1.714 -9.156 -0.557 1.00 0.00 N ATOM 298 CA LEU A 23 -1.200 -9.565 -1.860 1.00 0.00 C ATOM 299 C LEU A 23 -1.364 -11.067 -2.063 1.00 0.00 C ATOM 300 O LEU A 23 -1.214 -11.851 -1.126 1.00 0.00 O ATOM 301 CB LEU A 23 0.275 -9.179 -1.991 1.00 0.00 C ATOM 302 CG LEU A 23 0.834 -9.138 -3.414 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.166 -10.541 -3.898 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.155 -8.467 -4.356 1.00 0.00 C ATOM 0 H LEU A 23 -1.142 -9.453 0.234 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.775 -9.049 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.415 -8.197 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.868 -9.885 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 23 1.753 -8.552 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.562 -10.492 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.911 -10.987 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.263 -11.152 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.259 -8.447 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.091 -9.026 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.343 -7.447 -4.020 1.00 0.00 H new ATOM 316 N ALA A 24 -1.672 -11.462 -3.294 1.00 0.00 N ATOM 317 CA ALA A 24 -1.853 -12.871 -3.622 1.00 0.00 C ATOM 318 C ALA A 24 -0.533 -13.512 -4.037 1.00 0.00 C ATOM 319 O ALA A 24 0.076 -13.112 -5.029 1.00 0.00 O ATOM 320 CB ALA A 24 -2.888 -13.027 -4.726 1.00 0.00 C ATOM 0 H ALA A 24 -1.801 -10.826 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.211 -13.384 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.013 -14.084 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.840 -12.614 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.553 -12.495 -5.616 1.00 0.00 H new ATOM 326 N GLU A 25 -0.097 -14.507 -3.271 1.00 0.00 N ATOM 327 CA GLU A 25 1.153 -15.201 -3.560 1.00 0.00 C ATOM 328 C GLU A 25 1.285 -15.485 -5.054 1.00 0.00 C ATOM 329 O GLU A 25 2.375 -15.406 -5.617 1.00 0.00 O ATOM 330 CB GLU A 25 1.228 -16.511 -2.772 1.00 0.00 C ATOM 331 CG GLU A 25 0.130 -17.499 -3.128 1.00 0.00 C ATOM 332 CD GLU A 25 0.458 -18.915 -2.696 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.448 -19.478 -3.211 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.274 -19.461 -1.845 1.00 0.00 O ATOM 0 H GLU A 25 -0.590 -14.850 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 25 1.977 -14.555 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.197 -16.978 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.173 -16.288 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.802 -17.186 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.035 -17.481 -4.205 1.00 0.00 H new ATOM 341 N ASN A 26 0.165 -15.816 -5.688 1.00 0.00 N ATOM 342 CA ASN A 26 0.154 -16.113 -7.116 1.00 0.00 C ATOM 343 C ASN A 26 -0.134 -14.856 -7.931 1.00 0.00 C ATOM 344 O ASN A 26 -0.986 -14.861 -8.819 1.00 0.00 O ATOM 345 CB ASN A 26 -0.890 -17.187 -7.427 1.00 0.00 C ATOM 346 CG ASN A 26 -0.618 -17.895 -8.741 1.00 0.00 C ATOM 347 OD1 ASN A 26 0.423 -18.529 -8.913 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.556 -17.788 -9.675 1.00 0.00 N ATOM 0 H ASN A 26 -0.747 -15.885 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 26 1.141 -16.485 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.906 -17.919 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.879 -16.729 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.429 -18.242 -10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.403 -17.252 -9.488 1.00 0.00 H new ATOM 355 N SER A 27 0.583 -13.780 -7.623 1.00 0.00 N ATOM 356 CA SER A 27 0.402 -12.514 -8.324 1.00 0.00 C ATOM 357 C SER A 27 1.435 -12.357 -9.435 1.00 0.00 C ATOM 358 O SER A 27 2.639 -12.341 -9.181 1.00 0.00 O ATOM 359 CB SER A 27 0.508 -11.344 -7.344 1.00 0.00 C ATOM 360 OG SER A 27 -0.708 -11.156 -6.641 1.00 0.00 O ATOM 0 H SER A 27 1.295 -13.760 -6.893 1.00 0.00 H new ATOM 0 HA SER A 27 -0.592 -12.514 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.316 -11.530 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.763 -10.433 -7.886 1.00 0.00 H new ATOM 0 HG SER A 27 -0.675 -11.647 -5.793 1.00 0.00 H new ATOM 366 N ALA A 28 0.955 -12.241 -10.669 1.00 0.00 N ATOM 367 CA ALA A 28 1.835 -12.082 -11.820 1.00 0.00 C ATOM 368 C ALA A 28 2.910 -11.035 -11.549 1.00 0.00 C ATOM 369 O ALA A 28 2.817 -10.244 -10.611 1.00 0.00 O ATOM 370 CB ALA A 28 1.028 -11.706 -13.054 1.00 0.00 C ATOM 0 H ALA A 28 -0.039 -12.254 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 28 2.331 -13.036 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.698 -11.591 -13.906 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.302 -12.491 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.505 -10.767 -12.874 1.00 0.00 H new ATOM 376 N PRO A 29 3.956 -11.029 -12.388 1.00 0.00 N ATOM 377 CA PRO A 29 5.069 -10.084 -12.259 1.00 0.00 C ATOM 378 C PRO A 29 4.660 -8.656 -12.603 1.00 0.00 C ATOM 379 O PRO A 29 5.506 -7.774 -12.743 1.00 0.00 O ATOM 380 CB PRO A 29 6.095 -10.604 -13.269 1.00 0.00 C ATOM 381 CG PRO A 29 5.290 -11.345 -14.280 1.00 0.00 C ATOM 382 CD PRO A 29 4.133 -11.944 -13.529 1.00 0.00 C ATOM 0 HA PRO A 29 5.444 -10.034 -11.237 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.649 -9.785 -13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.826 -11.255 -12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.941 -10.677 -15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.886 -12.120 -14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.236 -11.994 -14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.351 -12.960 -13.199 1.00 0.00 H new ATOM 390 N GLY A 30 3.356 -8.435 -12.737 1.00 0.00 N ATOM 391 CA GLY A 30 2.858 -7.111 -13.063 1.00 0.00 C ATOM 392 C GLY A 30 1.695 -6.696 -12.183 1.00 0.00 C ATOM 393 O GLY A 30 1.426 -5.506 -12.017 1.00 0.00 O ATOM 0 H GLY A 30 2.636 -9.149 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.666 -6.386 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.545 -7.091 -14.107 1.00 0.00 H new ATOM 397 N THR A 31 1.002 -7.680 -11.617 1.00 0.00 N ATOM 398 CA THR A 31 -0.139 -7.412 -10.752 1.00 0.00 C ATOM 399 C THR A 31 0.170 -6.291 -9.766 1.00 0.00 C ATOM 400 O THR A 31 1.173 -6.319 -9.052 1.00 0.00 O ATOM 401 CB THR A 31 -0.558 -8.670 -9.968 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.901 -9.722 -10.877 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.741 -8.372 -9.059 1.00 0.00 C ATOM 0 H THR A 31 1.212 -8.670 -11.743 1.00 0.00 H new ATOM 0 HA THR A 31 -0.961 -7.106 -11.399 1.00 0.00 H new ATOM 0 HB THR A 31 0.284 -8.984 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.165 -10.519 -10.371 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.019 -9.275 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.467 -7.591 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.586 -8.036 -9.660 1.00 0.00 H new ATOM 411 N PRO A 32 -0.710 -5.280 -9.722 1.00 0.00 N ATOM 412 CA PRO A 32 -0.553 -4.132 -8.825 1.00 0.00 C ATOM 413 C PRO A 32 -0.761 -4.506 -7.362 1.00 0.00 C ATOM 414 O PRO A 32 -1.386 -5.522 -7.054 1.00 0.00 O ATOM 415 CB PRO A 32 -1.645 -3.166 -9.291 1.00 0.00 C ATOM 416 CG PRO A 32 -2.677 -4.036 -9.922 1.00 0.00 C ATOM 417 CD PRO A 32 -1.928 -5.181 -10.545 1.00 0.00 C ATOM 0 HA PRO A 32 0.453 -3.714 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.059 -2.604 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.253 -2.438 -10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.392 -4.394 -9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.245 -3.486 -10.673 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.508 -6.103 -10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.692 -4.985 -11.591 1.00 0.00 H new ATOM 425 N ILE A 33 -0.236 -3.679 -6.464 1.00 0.00 N ATOM 426 CA ILE A 33 -0.367 -3.924 -5.033 1.00 0.00 C ATOM 427 C ILE A 33 -1.143 -2.802 -4.352 1.00 0.00 C ATOM 428 O ILE A 33 -2.249 -3.012 -3.852 1.00 0.00 O ATOM 429 CB ILE A 33 1.011 -4.062 -4.357 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.773 -5.253 -4.944 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.849 -4.219 -2.853 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.204 -5.350 -4.463 1.00 0.00 C ATOM 0 H ILE A 33 0.284 -2.834 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.913 -4.861 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 33 1.586 -3.156 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.248 -6.173 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.768 -5.177 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.831 -4.315 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.341 -3.344 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.259 -5.111 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.683 -6.216 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.745 -4.446 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.217 -5.457 -3.378 1.00 0.00 H new ATOM 444 N LEU A 34 -0.559 -1.609 -4.339 1.00 0.00 N ATOM 445 CA LEU A 34 -1.197 -0.451 -3.721 1.00 0.00 C ATOM 446 C LEU A 34 -0.554 0.846 -4.202 1.00 0.00 C ATOM 447 O LEU A 34 0.518 0.831 -4.806 1.00 0.00 O ATOM 448 CB LEU A 34 -1.104 -0.546 -2.197 1.00 0.00 C ATOM 449 CG LEU A 34 0.303 -0.697 -1.619 1.00 0.00 C ATOM 450 CD1 LEU A 34 1.031 0.638 -1.628 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.242 -1.263 -0.207 1.00 0.00 C ATOM 0 H LEU A 34 0.355 -1.418 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.247 -0.445 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.557 0.348 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.703 -1.395 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 34 0.859 -1.395 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.031 0.510 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.107 1.004 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.477 1.358 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.253 -1.364 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.332 -0.590 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.239 -2.241 -0.228 1.00 0.00 H new ATOM 463 N GLN A 35 -1.215 1.965 -3.927 1.00 0.00 N ATOM 464 CA GLN A 35 -0.706 3.271 -4.330 1.00 0.00 C ATOM 465 C GLN A 35 -0.376 4.126 -3.111 1.00 0.00 C ATOM 466 O GLN A 35 -1.243 4.410 -2.285 1.00 0.00 O ATOM 467 CB GLN A 35 -1.729 3.990 -5.210 1.00 0.00 C ATOM 468 CG GLN A 35 -1.306 5.394 -5.612 1.00 0.00 C ATOM 469 CD GLN A 35 -2.384 6.131 -6.383 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.560 6.089 -6.021 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.988 6.810 -7.453 1.00 0.00 N ATOM 0 H GLN A 35 -2.104 1.994 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 35 0.209 3.116 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.900 3.399 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.679 4.044 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.051 5.963 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.404 5.337 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.003 6.817 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.669 7.324 -8.011 1.00 0.00 H new ATOM 480 N LEU A 36 0.884 4.534 -3.006 1.00 0.00 N ATOM 481 CA LEU A 36 1.331 5.358 -1.887 1.00 0.00 C ATOM 482 C LEU A 36 0.968 6.823 -2.111 1.00 0.00 C ATOM 483 O LEU A 36 0.887 7.286 -3.249 1.00 0.00 O ATOM 484 CB LEU A 36 2.842 5.218 -1.697 1.00 0.00 C ATOM 485 CG LEU A 36 3.355 3.805 -1.417 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.859 3.732 -1.628 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.991 3.375 -0.004 1.00 0.00 C ATOM 0 H LEU A 36 1.614 4.308 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 36 0.824 5.011 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.337 5.592 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.146 5.863 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 36 2.877 3.120 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.206 2.719 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.095 3.996 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.355 4.429 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.364 2.367 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.440 4.063 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.907 3.387 0.112 1.00 0.00 H new ATOM 499 N ARG A 37 0.753 7.547 -1.018 1.00 0.00 N ATOM 500 CA ARG A 37 0.400 8.960 -1.095 1.00 0.00 C ATOM 501 C ARG A 37 0.743 9.677 0.208 1.00 0.00 C ATOM 502 O ARG A 37 0.450 9.182 1.296 1.00 0.00 O ATOM 503 CB ARG A 37 -1.090 9.119 -1.401 1.00 0.00 C ATOM 504 CG ARG A 37 -1.416 9.066 -2.885 1.00 0.00 C ATOM 505 CD ARG A 37 -2.881 9.382 -3.145 1.00 0.00 C ATOM 506 NE ARG A 37 -3.139 10.819 -3.144 1.00 0.00 N ATOM 507 CZ ARG A 37 -4.348 11.349 -2.997 1.00 0.00 C ATOM 508 NH1 ARG A 37 -5.404 10.564 -2.839 1.00 0.00 N ATOM 509 NH2 ARG A 37 -4.502 12.667 -3.007 1.00 0.00 N ATOM 0 H ARG A 37 0.817 7.179 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 37 0.979 9.411 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.644 8.333 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.436 10.070 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.788 9.777 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.181 8.076 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.178 8.961 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.496 8.903 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.347 11.451 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.289 9.551 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.331 10.973 -2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.691 13.274 -3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.431 13.073 -2.894 1.00 0.00 H new ATOM 697 N TYR A 51 8.375 8.289 -4.248 1.00 0.00 N ATOM 698 CA TYR A 51 8.309 7.111 -3.391 1.00 0.00 C ATOM 699 C TYR A 51 9.393 6.104 -3.766 1.00 0.00 C ATOM 700 O TYR A 51 9.228 5.313 -4.694 1.00 0.00 O ATOM 701 CB TYR A 51 6.931 6.455 -3.495 1.00 0.00 C ATOM 702 CG TYR A 51 5.793 7.447 -3.576 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.294 8.057 -2.431 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.217 7.776 -4.797 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.254 8.963 -2.500 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.178 8.683 -4.875 1.00 0.00 C ATOM 707 CZ TYR A 51 3.699 9.273 -3.724 1.00 0.00 C ATOM 708 OH TYR A 51 2.664 10.177 -3.797 1.00 0.00 O ATOM 0 HA TYR A 51 8.475 7.431 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.908 5.815 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.779 5.810 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.727 7.818 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.588 7.315 -5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.877 9.426 -1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.743 8.929 -5.832 1.00 0.00 H new ATOM 0 HH TYR A 51 2.389 10.284 -4.731 1.00 0.00 H new ATOM 718 N VAL A 52 10.503 6.141 -3.035 1.00 0.00 N ATOM 719 CA VAL A 52 11.615 5.232 -3.288 1.00 0.00 C ATOM 720 C VAL A 52 11.671 4.127 -2.238 1.00 0.00 C ATOM 721 O VAL A 52 10.971 4.181 -1.227 1.00 0.00 O ATOM 722 CB VAL A 52 12.960 5.981 -3.301 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.042 6.913 -4.501 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.154 6.751 -2.003 1.00 0.00 C ATOM 0 H VAL A 52 10.656 6.790 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 52 11.445 4.789 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 52 13.763 5.248 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.000 7.433 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.952 6.333 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.233 7.642 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.110 7.274 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.347 7.475 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.144 6.056 -1.163 1.00 0.00 H new ATOM 734 N PHE A 53 12.508 3.126 -2.486 1.00 0.00 N ATOM 735 CA PHE A 53 12.656 2.007 -1.562 1.00 0.00 C ATOM 736 C PHE A 53 13.529 2.395 -0.372 1.00 0.00 C ATOM 737 O PHE A 53 14.756 2.388 -0.460 1.00 0.00 O ATOM 738 CB PHE A 53 13.263 0.801 -2.282 1.00 0.00 C ATOM 739 CG PHE A 53 12.237 -0.121 -2.876 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.327 -0.782 -2.066 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.182 -0.328 -4.245 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.382 -1.630 -2.609 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.238 -1.176 -4.794 1.00 0.00 C ATOM 744 CZ PHE A 53 10.338 -1.829 -3.975 1.00 0.00 C ATOM 0 H PHE A 53 13.094 3.066 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 53 11.666 1.741 -1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.923 1.155 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.880 0.241 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.357 -0.632 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.884 0.179 -4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.678 -2.137 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.204 -1.328 -5.863 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.601 -2.494 -4.402 1.00 0.00 H new ATOM 754 N GLY A 54 12.885 2.735 0.741 1.00 0.00 N ATOM 755 CA GLY A 54 13.617 3.122 1.932 1.00 0.00 C ATOM 756 C GLY A 54 14.367 1.962 2.554 1.00 0.00 C ATOM 757 O GLY A 54 15.292 1.417 1.952 1.00 0.00 O ATOM 0 H GLY A 54 11.870 2.749 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.323 3.913 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.922 3.535 2.663 1.00 0.00 H new ATOM 761 N ALA A 55 13.970 1.583 3.765 1.00 0.00 N ATOM 762 CA ALA A 55 14.612 0.480 4.469 1.00 0.00 C ATOM 763 C ALA A 55 14.112 -0.865 3.953 1.00 0.00 C ATOM 764 O ALA A 55 13.309 -1.531 4.605 1.00 0.00 O ATOM 765 CB ALA A 55 14.368 0.596 5.966 1.00 0.00 C ATOM 0 H ALA A 55 13.207 2.024 4.278 1.00 0.00 H new ATOM 0 HA ALA A 55 15.684 0.537 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.853 -0.234 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.779 1.538 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.296 0.568 6.163 1.00 0.00 H new ATOM 771 N ALA A 56 14.593 -1.258 2.778 1.00 0.00 N ATOM 772 CA ALA A 56 14.196 -2.524 2.175 1.00 0.00 C ATOM 773 C ALA A 56 15.414 -3.325 1.728 1.00 0.00 C ATOM 774 O ALA A 56 16.551 -2.871 1.857 1.00 0.00 O ATOM 775 CB ALA A 56 13.262 -2.279 0.999 1.00 0.00 C ATOM 0 H ALA A 56 15.258 -0.718 2.225 1.00 0.00 H new ATOM 0 HA ALA A 56 13.667 -3.107 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.974 -3.233 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.371 -1.755 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.771 -1.673 0.250 1.00 0.00 H new ATOM 781 N THR A 57 15.169 -4.521 1.201 1.00 0.00 N ATOM 782 CA THR A 57 16.246 -5.386 0.736 1.00 0.00 C ATOM 783 C THR A 57 16.152 -5.623 -0.767 1.00 0.00 C ATOM 784 O THR A 57 15.067 -5.577 -1.344 1.00 0.00 O ATOM 785 CB THR A 57 16.227 -6.746 1.460 1.00 0.00 C ATOM 786 OG1 THR A 57 17.211 -7.618 0.893 1.00 0.00 O ATOM 787 CG2 THR A 57 14.853 -7.392 1.362 1.00 0.00 C ATOM 0 H THR A 57 14.234 -4.912 1.086 1.00 0.00 H new ATOM 0 HA THR A 57 17.181 -4.874 0.963 1.00 0.00 H new ATOM 0 HB THR A 57 16.457 -6.575 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.193 -8.479 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.864 -8.351 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.111 -6.740 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.599 -7.549 0.314 1.00 0.00 H new ATOM 795 N GLU A 58 17.297 -5.876 -1.394 1.00 0.00 N ATOM 796 CA GLU A 58 17.341 -6.119 -2.831 1.00 0.00 C ATOM 797 C GLU A 58 16.232 -7.077 -3.256 1.00 0.00 C ATOM 798 O GLU A 58 15.410 -6.751 -4.112 1.00 0.00 O ATOM 799 CB GLU A 58 18.704 -6.690 -3.232 1.00 0.00 C ATOM 800 CG GLU A 58 18.883 -6.839 -4.733 1.00 0.00 C ATOM 801 CD GLU A 58 20.331 -7.059 -5.129 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.868 -8.146 -4.833 1.00 0.00 O ATOM 803 OE2 GLU A 58 20.925 -6.142 -5.734 1.00 0.00 O ATOM 0 H GLU A 58 18.205 -5.918 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 58 17.189 -5.167 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.489 -6.041 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.833 -7.664 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.282 -7.678 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.506 -5.946 -5.231 1.00 0.00 H new ATOM 810 N SER A 59 16.216 -8.260 -2.651 1.00 0.00 N ATOM 811 CA SER A 59 15.210 -9.268 -2.968 1.00 0.00 C ATOM 812 C SER A 59 13.833 -8.630 -3.126 1.00 0.00 C ATOM 813 O SER A 59 13.081 -8.967 -4.041 1.00 0.00 O ATOM 814 CB SER A 59 15.167 -10.338 -1.876 1.00 0.00 C ATOM 815 OG SER A 59 14.891 -9.764 -0.610 1.00 0.00 O ATOM 0 H SER A 59 16.888 -8.545 -1.938 1.00 0.00 H new ATOM 0 HA SER A 59 15.485 -9.736 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.404 -11.078 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.121 -10.864 -1.840 1.00 0.00 H new ATOM 0 HG SER A 59 14.867 -10.469 0.071 1.00 0.00 H new ATOM 821 N VAL A 60 13.509 -7.707 -2.227 1.00 0.00 N ATOM 822 CA VAL A 60 12.223 -7.020 -2.265 1.00 0.00 C ATOM 823 C VAL A 60 12.157 -6.044 -3.434 1.00 0.00 C ATOM 824 O VAL A 60 11.089 -5.812 -4.002 1.00 0.00 O ATOM 825 CB VAL A 60 11.957 -6.255 -0.955 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.710 -5.392 -1.085 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.826 -7.223 0.210 1.00 0.00 C ATOM 0 H VAL A 60 14.119 -7.417 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 60 11.458 -7.786 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 60 12.805 -5.599 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.537 -4.859 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.848 -4.673 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.851 -6.025 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.638 -6.665 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.997 -7.906 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.749 -7.793 0.315 1.00 0.00 H new ATOM 837 N ARG A 61 13.304 -5.474 -3.788 1.00 0.00 N ATOM 838 CA ARG A 61 13.376 -4.521 -4.890 1.00 0.00 C ATOM 839 C ARG A 61 13.209 -5.228 -6.232 1.00 0.00 C ATOM 840 O ARG A 61 12.452 -4.779 -7.092 1.00 0.00 O ATOM 841 CB ARG A 61 14.709 -3.772 -4.858 1.00 0.00 C ATOM 842 CG ARG A 61 14.870 -2.867 -3.647 1.00 0.00 C ATOM 843 CD ARG A 61 16.209 -2.147 -3.664 1.00 0.00 C ATOM 844 NE ARG A 61 16.346 -1.274 -4.827 1.00 0.00 N ATOM 845 CZ ARG A 61 17.390 -0.478 -5.030 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.383 -0.445 -4.152 1.00 0.00 N ATOM 847 NH2 ARG A 61 17.442 0.287 -6.113 1.00 0.00 N ATOM 0 H ARG A 61 14.196 -5.655 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 61 12.562 -3.805 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.523 -4.496 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.801 -3.173 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.062 -2.135 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.785 -3.459 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.315 -1.557 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.015 -2.881 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 61 15.599 -1.276 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.346 -1.032 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.183 0.167 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.680 0.264 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.244 0.898 -6.268 1.00 0.00 H new ATOM 861 N ARG A 62 13.923 -6.337 -6.403 1.00 0.00 N ATOM 862 CA ARG A 62 13.855 -7.105 -7.640 1.00 0.00 C ATOM 863 C ARG A 62 12.543 -7.878 -7.729 1.00 0.00 C ATOM 864 O ARG A 62 12.039 -8.142 -8.822 1.00 0.00 O ATOM 865 CB ARG A 62 15.037 -8.072 -7.730 1.00 0.00 C ATOM 866 CG ARG A 62 15.041 -9.132 -6.641 1.00 0.00 C ATOM 867 CD ARG A 62 16.418 -9.755 -6.475 1.00 0.00 C ATOM 868 NE ARG A 62 16.341 -11.135 -6.003 1.00 0.00 N ATOM 869 CZ ARG A 62 17.303 -12.031 -6.193 1.00 0.00 C ATOM 870 NH1 ARG A 62 18.410 -11.694 -6.840 1.00 0.00 N ATOM 871 NH2 ARG A 62 17.159 -13.268 -5.734 1.00 0.00 N ATOM 0 H ARG A 62 14.554 -6.723 -5.701 1.00 0.00 H new ATOM 0 HA ARG A 62 13.902 -6.406 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.021 -8.563 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.965 -7.504 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.726 -8.687 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.316 -9.909 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.946 -9.727 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.001 -9.163 -5.770 1.00 0.00 H new ATOM 0 HE ARG A 62 15.503 -11.427 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.525 -10.744 -7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.147 -12.385 -6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.309 -13.531 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.898 -13.956 -5.880 1.00 0.00 H new ATOM 885 N LEU A 63 11.996 -8.240 -6.574 1.00 0.00 N ATOM 886 CA LEU A 63 10.743 -8.984 -6.521 1.00 0.00 C ATOM 887 C LEU A 63 9.547 -8.046 -6.652 1.00 0.00 C ATOM 888 O LEU A 63 8.540 -8.390 -7.273 1.00 0.00 O ATOM 889 CB LEU A 63 10.648 -9.770 -5.212 1.00 0.00 C ATOM 890 CG LEU A 63 9.279 -10.365 -4.883 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.892 -11.415 -5.913 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.278 -10.962 -3.483 1.00 0.00 C ATOM 0 H LEU A 63 12.401 -8.030 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 63 10.728 -9.682 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.376 -10.581 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.941 -9.112 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 63 8.540 -9.565 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.915 -11.828 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.850 -10.957 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.633 -12.214 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.295 -11.381 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.029 -11.750 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.509 -10.184 -2.755 1.00 0.00 H new ATOM 904 N LEU A 64 9.664 -6.861 -6.065 1.00 0.00 N ATOM 905 CA LEU A 64 8.593 -5.871 -6.117 1.00 0.00 C ATOM 906 C LEU A 64 9.095 -4.557 -6.708 1.00 0.00 C ATOM 907 O LEU A 64 10.141 -4.046 -6.310 1.00 0.00 O ATOM 908 CB LEU A 64 8.025 -5.631 -4.717 1.00 0.00 C ATOM 909 CG LEU A 64 7.431 -6.852 -4.015 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.630 -6.752 -2.511 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.954 -6.995 -4.352 1.00 0.00 C ATOM 0 H LEU A 64 10.490 -6.561 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 64 7.803 -6.259 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.819 -5.227 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.252 -4.865 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 64 7.952 -7.741 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.201 -7.630 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.696 -6.700 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.136 -5.855 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.548 -7.869 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.418 -6.104 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.836 -7.114 -5.429 1.00 0.00 H new ATOM 923 N ARG A 65 8.340 -4.015 -7.658 1.00 0.00 N ATOM 924 CA ARG A 65 8.707 -2.760 -8.302 1.00 0.00 C ATOM 925 C ARG A 65 7.869 -1.606 -7.761 1.00 0.00 C ATOM 926 O ARG A 65 6.641 -1.687 -7.708 1.00 0.00 O ATOM 927 CB ARG A 65 8.527 -2.869 -9.818 1.00 0.00 C ATOM 928 CG ARG A 65 9.145 -1.714 -10.589 1.00 0.00 C ATOM 929 CD ARG A 65 8.928 -1.864 -12.086 1.00 0.00 C ATOM 930 NE ARG A 65 8.850 -0.571 -12.760 1.00 0.00 N ATOM 931 CZ ARG A 65 9.101 -0.400 -14.054 1.00 0.00 C ATOM 932 NH1 ARG A 65 9.443 -1.436 -14.808 1.00 0.00 N ATOM 933 NH2 ARG A 65 9.010 0.808 -14.595 1.00 0.00 N ATOM 0 H ARG A 65 7.471 -4.425 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 65 9.755 -2.560 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.971 -3.803 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.462 -2.919 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.709 -0.774 -10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.213 -1.665 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.743 -2.447 -12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.009 -2.422 -12.265 1.00 0.00 H new ATOM 0 HE ARG A 65 8.589 0.246 -12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.514 -2.366 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.635 -1.303 -15.801 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.747 1.607 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.203 0.938 -15.588 1.00 0.00 H new ATOM 947 N LEU A 66 8.540 -0.532 -7.360 1.00 0.00 N ATOM 948 CA LEU A 66 7.858 0.640 -6.822 1.00 0.00 C ATOM 949 C LEU A 66 8.166 1.880 -7.656 1.00 0.00 C ATOM 950 O LEU A 66 9.315 2.121 -8.027 1.00 0.00 O ATOM 951 CB LEU A 66 8.272 0.873 -5.368 1.00 0.00 C ATOM 952 CG LEU A 66 7.943 2.250 -4.789 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.452 2.370 -4.513 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.745 2.499 -3.520 1.00 0.00 C ATOM 0 H LEU A 66 9.556 -0.448 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 66 6.784 0.455 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.791 0.116 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.347 0.715 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 66 8.217 3.008 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.236 3.356 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.898 2.235 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.152 1.605 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.499 3.483 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.502 1.736 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.810 2.456 -3.748 1.00 0.00 H new ATOM 966 N ASP A 67 7.134 2.664 -7.944 1.00 0.00 N ATOM 967 CA ASP A 67 7.294 3.882 -8.730 1.00 0.00 C ATOM 968 C ASP A 67 7.373 5.107 -7.825 1.00 0.00 C ATOM 969 O ASP A 67 7.053 5.035 -6.639 1.00 0.00 O ATOM 970 CB ASP A 67 6.135 4.034 -9.716 1.00 0.00 C ATOM 971 CG ASP A 67 6.409 3.352 -11.042 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.358 3.769 -11.740 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.675 2.400 -11.382 1.00 0.00 O ATOM 0 H ASP A 67 6.177 2.478 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 67 8.227 3.805 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.230 3.615 -9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.945 5.093 -9.888 1.00 0.00 H new ATOM 978 N GLU A 68 7.802 6.230 -8.393 1.00 0.00 N ATOM 979 CA GLU A 68 7.924 7.470 -7.636 1.00 0.00 C ATOM 980 C GLU A 68 7.193 8.611 -8.339 1.00 0.00 C ATOM 981 O GLU A 68 6.689 9.532 -7.694 1.00 0.00 O ATOM 982 CB GLU A 68 9.398 7.834 -7.446 1.00 0.00 C ATOM 983 CG GLU A 68 10.014 8.527 -8.650 1.00 0.00 C ATOM 984 CD GLU A 68 10.035 7.644 -9.883 1.00 0.00 C ATOM 985 OE1 GLU A 68 10.631 6.548 -9.819 1.00 0.00 O ATOM 986 OE2 GLU A 68 9.456 8.049 -10.912 1.00 0.00 O ATOM 0 H GLU A 68 8.071 6.306 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 68 7.466 7.316 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.494 8.483 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.963 6.927 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.453 9.436 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.032 8.831 -8.408 1.00 0.00 H new ATOM 993 N THR A 69 7.140 8.544 -9.665 1.00 0.00 N ATOM 994 CA THR A 69 6.473 9.570 -10.456 1.00 0.00 C ATOM 995 C THR A 69 4.964 9.532 -10.248 1.00 0.00 C ATOM 996 O THR A 69 4.272 10.526 -10.463 1.00 0.00 O ATOM 997 CB THR A 69 6.777 9.408 -11.958 1.00 0.00 C ATOM 998 OG1 THR A 69 6.109 10.430 -12.706 1.00 0.00 O ATOM 999 CG2 THR A 69 6.337 8.039 -12.454 1.00 0.00 C ATOM 0 H THR A 69 7.551 7.789 -10.214 1.00 0.00 H new ATOM 0 HA THR A 69 6.859 10.531 -10.116 1.00 0.00 H new ATOM 0 HB THR A 69 7.854 9.500 -12.101 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.308 10.321 -13.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.562 7.948 -13.517 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.869 7.264 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.264 7.923 -12.299 1.00 0.00 H new ATOM 1007 N SER A 70 4.459 8.376 -9.826 1.00 0.00 N ATOM 1008 CA SER A 70 3.030 8.207 -9.591 1.00 0.00 C ATOM 1009 C SER A 70 2.772 7.644 -8.197 1.00 0.00 C ATOM 1010 O SER A 70 1.878 8.102 -7.486 1.00 0.00 O ATOM 1011 CB SER A 70 2.424 7.282 -10.647 1.00 0.00 C ATOM 1012 OG SER A 70 3.043 6.008 -10.625 1.00 0.00 O ATOM 0 H SER A 70 5.018 7.544 -9.640 1.00 0.00 H new ATOM 0 HA SER A 70 2.557 9.186 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.354 7.173 -10.469 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.539 7.728 -11.635 1.00 0.00 H new ATOM 0 HG SER A 70 2.636 5.435 -11.308 1.00 0.00 H new ATOM 1018 N GLY A 71 3.562 6.647 -7.812 1.00 0.00 N ATOM 1019 CA GLY A 71 3.404 6.036 -6.505 1.00 0.00 C ATOM 1020 C GLY A 71 2.536 4.795 -6.546 1.00 0.00 C ATOM 1021 O GLY A 71 1.712 4.576 -5.659 1.00 0.00 O ATOM 0 H GLY A 71 4.309 6.251 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.385 5.776 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.964 6.761 -5.820 1.00 0.00 H new ATOM 1025 N TRP A 72 2.720 3.981 -7.579 1.00 0.00 N ATOM 1026 CA TRP A 72 1.945 2.754 -7.733 1.00 0.00 C ATOM 1027 C TRP A 72 2.836 1.526 -7.587 1.00 0.00 C ATOM 1028 O TRP A 72 3.574 1.169 -8.507 1.00 0.00 O ATOM 1029 CB TRP A 72 1.248 2.735 -9.094 1.00 0.00 C ATOM 1030 CG TRP A 72 -0.147 3.283 -9.055 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.544 4.542 -9.403 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.329 2.587 -8.642 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.901 4.672 -9.231 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.406 3.487 -8.766 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.582 1.293 -8.182 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.713 3.131 -8.445 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.880 0.941 -7.863 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.933 1.857 -7.997 1.00 0.00 C ATOM 0 H TRP A 72 3.398 4.148 -8.322 1.00 0.00 H new ATOM 0 HA TRP A 72 1.191 2.728 -6.946 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.838 3.314 -9.805 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.218 1.710 -9.464 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.112 5.321 -9.761 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.444 5.515 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.778 0.580 -8.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.525 3.836 -8.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.087 -0.057 -7.504 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.937 1.551 -7.742 1.00 0.00 H new ATOM 1049 N LEU A 73 2.763 0.881 -6.428 1.00 0.00 N ATOM 1050 CA LEU A 73 3.563 -0.309 -6.162 1.00 0.00 C ATOM 1051 C LEU A 73 2.901 -1.552 -6.748 1.00 0.00 C ATOM 1052 O LEU A 73 1.701 -1.767 -6.577 1.00 0.00 O ATOM 1053 CB LEU A 73 3.765 -0.486 -4.656 1.00 0.00 C ATOM 1054 CG LEU A 73 5.065 -1.169 -4.229 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.310 -0.968 -2.742 1.00 0.00 C ATOM 1056 CD2 LEU A 73 5.025 -2.652 -4.570 1.00 0.00 C ATOM 0 H LEU A 73 2.157 1.162 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 73 4.534 -0.178 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.723 0.497 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.928 -1.064 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 73 5.890 -0.713 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.239 -1.461 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.383 0.098 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.483 -1.397 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.958 -3.122 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.191 -3.123 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.898 -2.775 -5.646 1.00 0.00 H new ATOM 1068 N SER A 74 3.691 -2.369 -7.436 1.00 0.00 N ATOM 1069 CA SER A 74 3.182 -3.591 -8.048 1.00 0.00 C ATOM 1070 C SER A 74 4.234 -4.694 -8.016 1.00 0.00 C ATOM 1071 O SER A 74 5.386 -4.459 -7.651 1.00 0.00 O ATOM 1072 CB SER A 74 2.751 -3.322 -9.491 1.00 0.00 C ATOM 1073 OG SER A 74 3.875 -3.108 -10.327 1.00 0.00 O ATOM 0 H SER A 74 4.687 -2.207 -7.584 1.00 0.00 H new ATOM 0 HA SER A 74 2.317 -3.923 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.172 -4.166 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.099 -2.449 -9.522 1.00 0.00 H new ATOM 0 HG SER A 74 3.573 -2.940 -11.244 1.00 0.00 H new ATOM 1079 N VAL A 75 3.830 -5.901 -8.402 1.00 0.00 N ATOM 1080 CA VAL A 75 4.737 -7.042 -8.420 1.00 0.00 C ATOM 1081 C VAL A 75 5.677 -6.978 -9.618 1.00 0.00 C ATOM 1082 O VAL A 75 5.282 -6.569 -10.711 1.00 0.00 O ATOM 1083 CB VAL A 75 3.964 -8.373 -8.458 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.925 -9.551 -8.398 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.957 -8.437 -7.319 1.00 0.00 C ATOM 0 H VAL A 75 2.880 -6.113 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 75 5.321 -6.996 -7.501 1.00 0.00 H new ATOM 0 HB VAL A 75 3.417 -8.429 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.360 -10.483 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.603 -9.512 -9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.501 -9.504 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.420 -9.384 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.480 -8.359 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.249 -7.614 -7.413 1.00 0.00 H new ATOM 1095 N LEU A 76 6.924 -7.385 -9.408 1.00 0.00 N ATOM 1096 CA LEU A 76 7.922 -7.376 -10.472 1.00 0.00 C ATOM 1097 C LEU A 76 8.220 -8.792 -10.952 1.00 0.00 C ATOM 1098 O LEU A 76 8.316 -9.045 -12.153 1.00 0.00 O ATOM 1099 CB LEU A 76 9.210 -6.709 -9.984 1.00 0.00 C ATOM 1100 CG LEU A 76 10.316 -6.543 -11.026 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.844 -5.660 -12.170 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.570 -5.965 -10.385 1.00 0.00 C ATOM 0 H LEU A 76 7.268 -7.726 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 76 7.519 -6.806 -11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.959 -5.724 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.606 -7.293 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 76 10.559 -7.526 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.645 -5.553 -12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.975 -6.115 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.573 -4.678 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.347 -5.854 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.342 -4.991 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.920 -6.636 -9.601 1.00 0.00 H new ATOM 1114 N HIS A 77 8.365 -9.714 -10.005 1.00 0.00 N ATOM 1115 CA HIS A 77 8.649 -11.107 -10.331 1.00 0.00 C ATOM 1116 C HIS A 77 7.709 -12.045 -9.579 1.00 0.00 C ATOM 1117 O HIS A 77 7.141 -11.675 -8.551 1.00 0.00 O ATOM 1118 CB HIS A 77 10.102 -11.445 -9.996 1.00 0.00 C ATOM 1119 CG HIS A 77 11.064 -11.110 -11.094 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.932 -11.586 -12.381 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.177 -10.340 -11.091 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.923 -11.125 -13.122 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.693 -10.365 -12.364 1.00 0.00 N ATOM 0 H HIS A 77 8.290 -9.521 -9.006 1.00 0.00 H new ATOM 0 HA HIS A 77 8.489 -11.243 -11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.392 -10.908 -9.093 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.176 -12.509 -9.771 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.584 -9.805 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.078 -11.334 -14.170 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.533 -9.877 -12.673 1.00 0.00 H new ATOM 1132 N ARG A 78 7.551 -13.258 -10.098 1.00 0.00 N ATOM 1133 CA ARG A 78 6.678 -14.246 -9.476 1.00 0.00 C ATOM 1134 C ARG A 78 6.907 -14.301 -7.969 1.00 0.00 C ATOM 1135 O ARG A 78 8.034 -14.155 -7.496 1.00 0.00 O ATOM 1136 CB ARG A 78 6.918 -15.627 -10.090 1.00 0.00 C ATOM 1137 CG ARG A 78 6.609 -15.695 -11.576 1.00 0.00 C ATOM 1138 CD ARG A 78 7.210 -16.938 -12.214 1.00 0.00 C ATOM 1139 NE ARG A 78 6.293 -18.073 -12.173 1.00 0.00 N ATOM 1140 CZ ARG A 78 6.687 -19.340 -12.247 1.00 0.00 C ATOM 1141 NH1 ARG A 78 7.975 -19.631 -12.364 1.00 0.00 N ATOM 1142 NH2 ARG A 78 5.792 -20.318 -12.203 1.00 0.00 N ATOM 0 H ARG A 78 8.016 -13.580 -10.947 1.00 0.00 H new ATOM 0 HA ARG A 78 5.645 -13.949 -9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.958 -15.910 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.304 -16.360 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.529 -15.694 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.999 -14.806 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.474 -16.722 -13.249 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.134 -17.200 -11.698 1.00 0.00 H new ATOM 0 HE ARG A 78 5.295 -17.883 -12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.666 -18.882 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.275 -20.604 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.800 -20.098 -12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.096 -21.290 -12.260 1.00 0.00 H new ATOM 1156 N ILE A 79 5.829 -14.512 -7.220 1.00 0.00 N ATOM 1157 CA ILE A 79 5.913 -14.587 -5.766 1.00 0.00 C ATOM 1158 C ILE A 79 5.465 -15.953 -5.259 1.00 0.00 C ATOM 1159 O ILE A 79 4.503 -16.530 -5.767 1.00 0.00 O ATOM 1160 CB ILE A 79 5.055 -13.497 -5.097 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.479 -12.111 -5.586 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.171 -13.588 -3.582 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.473 -11.025 -5.274 1.00 0.00 C ATOM 0 H ILE A 79 4.889 -14.634 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 79 6.959 -14.429 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 79 4.013 -13.656 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.435 -11.851 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.639 -12.148 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.559 -12.811 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.825 -14.567 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.212 -13.451 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.840 -10.070 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.522 -11.262 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.331 -10.960 -4.195 1.00 0.00 H new ATOM 1175 N ASP A 80 6.167 -16.464 -4.254 1.00 0.00 N ATOM 1176 CA ASP A 80 5.840 -17.762 -3.676 1.00 0.00 C ATOM 1177 C ASP A 80 5.582 -17.640 -2.177 1.00 0.00 C ATOM 1178 O ASP A 80 6.197 -16.819 -1.496 1.00 0.00 O ATOM 1179 CB ASP A 80 6.973 -18.758 -3.930 1.00 0.00 C ATOM 1180 CG ASP A 80 6.613 -20.167 -3.501 1.00 0.00 C ATOM 1181 OD1 ASP A 80 6.358 -20.373 -2.296 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.586 -21.063 -4.370 1.00 0.00 O ATOM 0 H ASP A 80 6.966 -15.999 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 80 4.931 -18.126 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.222 -18.757 -4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.864 -18.434 -3.393 1.00 0.00 H new ATOM 1187 N ARG A 81 4.667 -18.460 -1.671 1.00 0.00 N ATOM 1188 CA ARG A 81 4.326 -18.442 -0.253 1.00 0.00 C ATOM 1189 C ARG A 81 5.344 -19.234 0.562 1.00 0.00 C ATOM 1190 O ARG A 81 5.803 -18.779 1.609 1.00 0.00 O ATOM 1191 CB ARG A 81 2.925 -19.018 -0.037 1.00 0.00 C ATOM 1192 CG ARG A 81 2.581 -19.250 1.425 1.00 0.00 C ATOM 1193 CD ARG A 81 1.659 -20.447 1.597 1.00 0.00 C ATOM 1194 NE ARG A 81 1.316 -20.678 2.998 1.00 0.00 N ATOM 1195 CZ ARG A 81 0.327 -20.052 3.625 1.00 0.00 C ATOM 1196 NH1 ARG A 81 -0.414 -19.162 2.979 1.00 0.00 N ATOM 1197 NH2 ARG A 81 0.077 -20.315 4.901 1.00 0.00 N ATOM 0 H ARG A 81 4.149 -19.145 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 81 4.343 -17.406 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.191 -18.339 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.843 -19.962 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.497 -19.410 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.103 -18.360 1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.747 -20.287 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.140 -21.336 1.190 1.00 0.00 H new ATOM 0 HE ARG A 81 1.866 -21.357 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.225 -18.957 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.173 -18.683 3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.645 -20.999 5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.683 -19.833 5.382 1.00 0.00 H new ATOM 1211 N GLU A 82 5.692 -20.420 0.073 1.00 0.00 N ATOM 1212 CA GLU A 82 6.655 -21.274 0.758 1.00 0.00 C ATOM 1213 C GLU A 82 7.947 -20.516 1.046 1.00 0.00 C ATOM 1214 O GLU A 82 8.443 -20.520 2.172 1.00 0.00 O ATOM 1215 CB GLU A 82 6.957 -22.516 -0.084 1.00 0.00 C ATOM 1216 CG GLU A 82 6.043 -23.692 0.217 1.00 0.00 C ATOM 1217 CD GLU A 82 6.460 -24.452 1.462 1.00 0.00 C ATOM 1218 OE1 GLU A 82 7.676 -24.678 1.638 1.00 0.00 O ATOM 1219 OE2 GLU A 82 5.572 -24.820 2.259 1.00 0.00 O ATOM 0 H GLU A 82 5.322 -20.811 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 82 6.217 -21.584 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.869 -22.259 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.991 -22.817 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.022 -23.331 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.039 -24.372 -0.635 1.00 0.00 H new ATOM 1226 N GLU A 83 8.487 -19.866 0.019 1.00 0.00 N ATOM 1227 CA GLU A 83 9.722 -19.104 0.162 1.00 0.00 C ATOM 1228 C GLU A 83 9.560 -17.995 1.198 1.00 0.00 C ATOM 1229 O GLU A 83 10.477 -17.712 1.970 1.00 0.00 O ATOM 1230 CB GLU A 83 10.136 -18.504 -1.183 1.00 0.00 C ATOM 1231 CG GLU A 83 9.267 -17.336 -1.622 1.00 0.00 C ATOM 1232 CD GLU A 83 9.600 -16.855 -3.021 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.074 -17.677 -3.833 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.386 -15.658 -3.304 1.00 0.00 O ATOM 0 H GLU A 83 8.089 -19.852 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 83 10.502 -19.785 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.172 -18.171 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.097 -19.282 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.219 -17.633 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.390 -16.512 -0.919 1.00 0.00 H new ATOM 1241 N VAL A 84 8.387 -17.369 1.208 1.00 0.00 N ATOM 1242 CA VAL A 84 8.104 -16.291 2.149 1.00 0.00 C ATOM 1243 C VAL A 84 6.650 -16.328 2.604 1.00 0.00 C ATOM 1244 O VAL A 84 5.734 -16.397 1.786 1.00 0.00 O ATOM 1245 CB VAL A 84 8.402 -14.913 1.529 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.894 -14.750 1.283 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.617 -14.728 0.240 1.00 0.00 C ATOM 0 H VAL A 84 7.618 -17.590 0.576 1.00 0.00 H new ATOM 0 HA VAL A 84 8.755 -16.442 3.010 1.00 0.00 H new ATOM 0 HB VAL A 84 8.088 -14.142 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.086 -13.771 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.430 -14.836 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.237 -15.527 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.840 -13.749 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.898 -15.504 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.550 -14.798 0.451 1.00 0.00 H new ATOM 1257 N ASN A 85 6.445 -16.280 3.917 1.00 0.00 N ATOM 1258 CA ASN A 85 5.101 -16.308 4.482 1.00 0.00 C ATOM 1259 C ASN A 85 4.506 -14.904 4.540 1.00 0.00 C ATOM 1260 O ASN A 85 3.299 -14.725 4.384 1.00 0.00 O ATOM 1261 CB ASN A 85 5.128 -16.921 5.884 1.00 0.00 C ATOM 1262 CG ASN A 85 6.386 -16.560 6.649 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.470 -17.067 6.359 1.00 0.00 O ATOM 1264 ND2 ASN A 85 6.247 -15.679 7.634 1.00 0.00 N ATOM 0 H ASN A 85 7.192 -16.222 4.609 1.00 0.00 H new ATOM 0 HA ASN A 85 4.474 -16.922 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.256 -16.581 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.053 -18.006 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.058 -15.397 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.329 -15.284 7.839 1.00 0.00 H new ATOM 1271 N GLN A 86 5.363 -13.913 4.765 1.00 0.00 N ATOM 1272 CA GLN A 86 4.922 -12.526 4.844 1.00 0.00 C ATOM 1273 C GLN A 86 6.094 -11.570 4.643 1.00 0.00 C ATOM 1274 O GLN A 86 7.018 -11.525 5.455 1.00 0.00 O ATOM 1275 CB GLN A 86 4.255 -12.256 6.193 1.00 0.00 C ATOM 1276 CG GLN A 86 3.954 -10.787 6.441 1.00 0.00 C ATOM 1277 CD GLN A 86 3.681 -10.485 7.901 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.544 -9.969 8.612 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.476 -10.805 8.357 1.00 0.00 N ATOM 0 H GLN A 86 6.366 -14.045 4.896 1.00 0.00 H new ATOM 0 HA GLN A 86 4.197 -12.356 4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.326 -12.823 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.902 -12.625 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.797 -10.185 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.090 -10.492 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.791 -11.231 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.235 -10.625 9.332 1.00 0.00 H new ATOM 1288 N LEU A 87 6.048 -10.807 3.556 1.00 0.00 N ATOM 1289 CA LEU A 87 7.107 -9.852 3.247 1.00 0.00 C ATOM 1290 C LEU A 87 6.977 -8.599 4.108 1.00 0.00 C ATOM 1291 O LEU A 87 5.907 -8.310 4.643 1.00 0.00 O ATOM 1292 CB LEU A 87 7.063 -9.473 1.766 1.00 0.00 C ATOM 1293 CG LEU A 87 7.152 -10.634 0.774 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.584 -10.226 -0.577 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.593 -11.101 0.629 1.00 0.00 C ATOM 0 H LEU A 87 5.289 -10.831 2.874 1.00 0.00 H new ATOM 0 HA LEU A 87 8.064 -10.325 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.137 -8.930 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.883 -8.784 1.563 1.00 0.00 H new ATOM 0 HG LEU A 87 6.559 -11.463 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.656 -11.064 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.539 -9.940 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.150 -9.381 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.638 -11.927 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.208 -10.277 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.967 -11.433 1.597 1.00 0.00 H new ATOM 1307 N ARG A 88 8.073 -7.858 4.235 1.00 0.00 N ATOM 1308 CA ARG A 88 8.082 -6.636 5.029 1.00 0.00 C ATOM 1309 C ARG A 88 9.178 -5.687 4.554 1.00 0.00 C ATOM 1310 O ARG A 88 10.358 -6.038 4.547 1.00 0.00 O ATOM 1311 CB ARG A 88 8.284 -6.966 6.509 1.00 0.00 C ATOM 1312 CG ARG A 88 7.619 -5.974 7.450 1.00 0.00 C ATOM 1313 CD ARG A 88 8.356 -4.644 7.469 1.00 0.00 C ATOM 1314 NE ARG A 88 9.738 -4.791 7.917 1.00 0.00 N ATOM 1315 CZ ARG A 88 10.549 -3.764 8.147 1.00 0.00 C ATOM 1316 NH1 ARG A 88 10.118 -2.522 7.972 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.794 -3.978 8.553 1.00 0.00 N ATOM 0 H ARG A 88 8.967 -8.083 3.798 1.00 0.00 H new ATOM 0 HA ARG A 88 7.118 -6.143 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.890 -7.963 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.352 -6.997 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.586 -5.814 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.590 -6.390 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.343 -4.208 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.834 -3.949 8.127 1.00 0.00 H new ATOM 0 HE ARG A 88 10.101 -5.733 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.162 -2.353 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.743 -1.736 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.129 -4.932 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.416 -3.189 8.729 1.00 0.00 H new ATOM 1331 N PHE A 89 8.779 -4.482 4.158 1.00 0.00 N ATOM 1332 CA PHE A 89 9.727 -3.482 3.680 1.00 0.00 C ATOM 1333 C PHE A 89 9.263 -2.075 4.044 1.00 0.00 C ATOM 1334 O PHE A 89 8.165 -1.887 4.569 1.00 0.00 O ATOM 1335 CB PHE A 89 9.902 -3.598 2.165 1.00 0.00 C ATOM 1336 CG PHE A 89 8.607 -3.543 1.406 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.089 -2.330 0.982 1.00 0.00 C ATOM 1338 CD2 PHE A 89 7.909 -4.704 1.116 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.898 -2.275 0.283 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.717 -4.655 0.417 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.210 -3.439 0.002 1.00 0.00 C ATOM 0 H PHE A 89 7.806 -4.175 4.159 1.00 0.00 H new ATOM 0 HA PHE A 89 10.686 -3.666 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.551 -2.793 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.408 -4.536 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.622 -1.417 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.300 -5.657 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.506 -1.323 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.183 -5.567 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.277 -3.399 -0.541 1.00 0.00 H new ATOM 1351 N THR A 90 10.108 -1.088 3.762 1.00 0.00 N ATOM 1352 CA THR A 90 9.786 0.302 4.060 1.00 0.00 C ATOM 1353 C THR A 90 9.934 1.178 2.821 1.00 0.00 C ATOM 1354 O THR A 90 10.744 0.893 1.939 1.00 0.00 O ATOM 1355 CB THR A 90 10.686 0.859 5.179 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.702 -0.044 6.290 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.198 2.225 5.637 1.00 0.00 C ATOM 0 H THR A 90 11.021 -1.226 3.328 1.00 0.00 H new ATOM 0 HA THR A 90 8.749 0.322 4.394 1.00 0.00 H new ATOM 0 HB THR A 90 11.696 0.966 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.278 0.317 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.849 2.598 6.428 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.215 2.918 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.180 2.139 6.016 1.00 0.00 H new ATOM 1365 N VAL A 91 9.146 2.247 2.761 1.00 0.00 N ATOM 1366 CA VAL A 91 9.191 3.167 1.631 1.00 0.00 C ATOM 1367 C VAL A 91 9.397 4.603 2.099 1.00 0.00 C ATOM 1368 O VAL A 91 8.765 5.052 3.055 1.00 0.00 O ATOM 1369 CB VAL A 91 7.900 3.092 0.794 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.766 1.724 0.141 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.687 3.399 1.659 1.00 0.00 C ATOM 0 H VAL A 91 8.469 2.497 3.482 1.00 0.00 H new ATOM 0 HA VAL A 91 10.035 2.865 1.011 1.00 0.00 H new ATOM 0 HB VAL A 91 7.955 3.842 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.848 1.689 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.621 1.547 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.733 0.954 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.783 3.342 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.626 2.674 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.781 4.402 2.075 1.00 0.00 H new ATOM 1381 N MET A 92 10.285 5.320 1.418 1.00 0.00 N ATOM 1382 CA MET A 92 10.573 6.708 1.763 1.00 0.00 C ATOM 1383 C MET A 92 9.806 7.664 0.856 1.00 0.00 C ATOM 1384 O MET A 92 9.447 7.315 -0.268 1.00 0.00 O ATOM 1385 CB MET A 92 12.075 6.981 1.658 1.00 0.00 C ATOM 1386 CG MET A 92 12.858 6.552 2.888 1.00 0.00 C ATOM 1387 SD MET A 92 14.337 7.549 3.152 1.00 0.00 S ATOM 1388 CE MET A 92 15.140 7.392 1.559 1.00 0.00 C ATOM 0 H MET A 92 10.817 4.963 0.624 1.00 0.00 H new ATOM 0 HA MET A 92 10.252 6.875 2.791 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.470 6.460 0.786 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.231 8.047 1.491 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.216 6.622 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.144 5.505 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.154 7.786 1.622 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.176 6.341 1.272 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.579 7.953 0.812 1.00 0.00 H new ATOM 1398 N ALA A 93 9.557 8.872 1.352 1.00 0.00 N ATOM 1399 CA ALA A 93 8.834 9.879 0.585 1.00 0.00 C ATOM 1400 C ALA A 93 9.601 11.196 0.549 1.00 0.00 C ATOM 1401 O ALA A 93 9.510 12.004 1.473 1.00 0.00 O ATOM 1402 CB ALA A 93 7.445 10.090 1.170 1.00 0.00 C ATOM 0 H ALA A 93 9.845 9.177 2.282 1.00 0.00 H new ATOM 0 HA ALA A 93 8.734 9.519 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.916 10.844 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.890 9.152 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.533 10.425 2.204 1.00 0.00 H new ATOM 1408 N ARG A 94 10.357 11.406 -0.524 1.00 0.00 N ATOM 1409 CA ARG A 94 11.141 12.625 -0.680 1.00 0.00 C ATOM 1410 C ARG A 94 10.275 13.765 -1.210 1.00 0.00 C ATOM 1411 O ARG A 94 9.340 13.541 -1.979 1.00 0.00 O ATOM 1412 CB ARG A 94 12.318 12.383 -1.626 1.00 0.00 C ATOM 1413 CG ARG A 94 13.134 11.148 -1.279 1.00 0.00 C ATOM 1414 CD ARG A 94 14.333 10.995 -2.202 1.00 0.00 C ATOM 1415 NE ARG A 94 14.707 9.595 -2.385 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.506 8.933 -1.555 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.011 9.541 -0.490 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.800 7.661 -1.789 1.00 0.00 N ATOM 0 H ARG A 94 10.443 10.747 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 94 11.524 12.908 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.941 12.285 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.971 13.256 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.475 11.214 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.503 10.262 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.104 11.439 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.179 11.546 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 94 14.334 9.098 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.786 10.519 -0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.624 9.031 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.413 7.190 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.413 7.154 -1.151 1.00 0.00 H new ATOM 1520 N LYS A 101 13.366 15.900 2.506 1.00 0.00 N ATOM 1521 CA LYS A 101 12.798 15.235 3.674 1.00 0.00 C ATOM 1522 C LYS A 101 12.148 13.912 3.284 1.00 0.00 C ATOM 1523 O LYS A 101 11.406 13.837 2.304 1.00 0.00 O ATOM 1524 CB LYS A 101 11.768 16.142 4.352 1.00 0.00 C ATOM 1525 CG LYS A 101 11.327 15.645 5.718 1.00 0.00 C ATOM 1526 CD LYS A 101 12.182 16.234 6.828 1.00 0.00 C ATOM 1527 CE LYS A 101 13.358 15.330 7.165 1.00 0.00 C ATOM 1528 NZ LYS A 101 14.166 15.869 8.294 1.00 0.00 N ATOM 0 HA LYS A 101 13.608 15.029 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.190 17.142 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.894 16.231 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.282 15.909 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.389 14.557 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.550 17.214 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.571 16.385 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.990 14.337 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.992 15.217 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.958 15.225 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.538 16.806 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.567 15.953 9.140 1.00 0.00 H new ATOM 1542 N THR A 102 12.431 12.868 4.058 1.00 0.00 N ATOM 1543 CA THR A 102 11.873 11.548 3.794 1.00 0.00 C ATOM 1544 C THR A 102 11.129 11.012 5.012 1.00 0.00 C ATOM 1545 O THR A 102 11.616 11.103 6.139 1.00 0.00 O ATOM 1546 CB THR A 102 12.971 10.544 3.395 1.00 0.00 C ATOM 1547 OG1 THR A 102 13.866 10.334 4.493 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.751 11.046 2.189 1.00 0.00 C ATOM 0 H THR A 102 13.043 12.912 4.873 1.00 0.00 H new ATOM 0 HA THR A 102 11.174 11.660 2.965 1.00 0.00 H new ATOM 0 HB THR A 102 12.491 9.601 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.269 9.444 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.521 10.320 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.073 11.177 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.219 12.000 2.430 1.00 0.00 H new ATOM 1556 N ASP A 103 9.947 10.452 4.778 1.00 0.00 N ATOM 1557 CA ASP A 103 9.136 9.899 5.856 1.00 0.00 C ATOM 1558 C ASP A 103 8.909 8.404 5.653 1.00 0.00 C ATOM 1559 O ASP A 103 7.865 7.986 5.152 1.00 0.00 O ATOM 1560 CB ASP A 103 7.793 10.626 5.937 1.00 0.00 C ATOM 1561 CG ASP A 103 6.734 9.807 6.648 1.00 0.00 C ATOM 1562 OD1 ASP A 103 7.037 9.252 7.725 1.00 0.00 O ATOM 1563 OD2 ASP A 103 5.602 9.720 6.128 1.00 0.00 O ATOM 0 H ASP A 103 9.529 10.369 3.851 1.00 0.00 H new ATOM 0 HA ASP A 103 9.674 10.042 6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.927 11.573 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.450 10.863 4.930 1.00 0.00 H new ATOM 1568 N LYS A 104 9.893 7.602 6.045 1.00 0.00 N ATOM 1569 CA LYS A 104 9.802 6.154 5.907 1.00 0.00 C ATOM 1570 C LYS A 104 8.418 5.655 6.311 1.00 0.00 C ATOM 1571 O LYS A 104 7.779 6.219 7.198 1.00 0.00 O ATOM 1572 CB LYS A 104 10.872 5.471 6.762 1.00 0.00 C ATOM 1573 CG LYS A 104 12.183 5.245 6.030 1.00 0.00 C ATOM 1574 CD LYS A 104 13.229 4.621 6.939 1.00 0.00 C ATOM 1575 CE LYS A 104 14.040 5.682 7.666 1.00 0.00 C ATOM 1576 NZ LYS A 104 13.425 6.054 8.970 1.00 0.00 N ATOM 0 H LYS A 104 10.764 7.931 6.461 1.00 0.00 H new ATOM 0 HA LYS A 104 9.968 5.903 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.060 6.079 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.489 4.511 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.014 4.597 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.554 6.195 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.740 3.973 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.896 3.992 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.052 5.314 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.124 6.569 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.210 7.072 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.547 5.514 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.088 5.836 9.741 1.00 0.00 H new ATOM 1590 N ALA A 105 7.962 4.593 5.655 1.00 0.00 N ATOM 1591 CA ALA A 105 6.656 4.017 5.948 1.00 0.00 C ATOM 1592 C ALA A 105 6.681 2.499 5.802 1.00 0.00 C ATOM 1593 O ALA A 105 7.039 1.971 4.749 1.00 0.00 O ATOM 1594 CB ALA A 105 5.596 4.619 5.038 1.00 0.00 C ATOM 0 H ALA A 105 8.478 4.114 4.917 1.00 0.00 H new ATOM 0 HA ALA A 105 6.407 4.253 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.626 4.179 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.552 5.697 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.850 4.413 3.998 1.00 0.00 H new ATOM 1600 N THR A 106 6.298 1.800 6.866 1.00 0.00 N ATOM 1601 CA THR A 106 6.278 0.343 6.857 1.00 0.00 C ATOM 1602 C THR A 106 5.173 -0.186 5.950 1.00 0.00 C ATOM 1603 O THR A 106 4.048 0.313 5.969 1.00 0.00 O ATOM 1604 CB THR A 106 6.078 -0.225 8.275 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.074 0.301 9.159 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.152 -1.744 8.265 1.00 0.00 C ATOM 0 H THR A 106 5.997 2.220 7.745 1.00 0.00 H new ATOM 0 HA THR A 106 7.245 0.016 6.476 1.00 0.00 H new ATOM 0 HB THR A 106 5.089 0.072 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.939 -0.064 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.008 -2.122 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.373 -2.142 7.615 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.128 -2.058 7.896 1.00 0.00 H new ATOM 1614 N VAL A 107 5.501 -1.200 5.155 1.00 0.00 N ATOM 1615 CA VAL A 107 4.536 -1.798 4.240 1.00 0.00 C ATOM 1616 C VAL A 107 4.462 -3.309 4.430 1.00 0.00 C ATOM 1617 O VAL A 107 5.299 -4.051 3.917 1.00 0.00 O ATOM 1618 CB VAL A 107 4.889 -1.492 2.773 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.995 -2.286 1.832 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.775 -0.001 2.497 1.00 0.00 C ATOM 0 H VAL A 107 6.428 -1.624 5.126 1.00 0.00 H new ATOM 0 HA VAL A 107 3.566 -1.358 4.471 1.00 0.00 H new ATOM 0 HB VAL A 107 5.922 -1.793 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.259 -2.057 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.132 -3.352 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.953 -2.019 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.028 0.197 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.754 0.328 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.461 0.543 3.147 1.00 0.00 H new ATOM 1630 N VAL A 108 3.454 -3.758 5.171 1.00 0.00 N ATOM 1631 CA VAL A 108 3.269 -5.181 5.428 1.00 0.00 C ATOM 1632 C VAL A 108 2.325 -5.806 4.407 1.00 0.00 C ATOM 1633 O VAL A 108 1.168 -5.401 4.285 1.00 0.00 O ATOM 1634 CB VAL A 108 2.713 -5.429 6.843 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.644 -6.919 7.137 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.563 -4.711 7.881 1.00 0.00 C ATOM 0 H VAL A 108 2.753 -3.157 5.604 1.00 0.00 H new ATOM 0 HA VAL A 108 4.251 -5.647 5.344 1.00 0.00 H new ATOM 0 HB VAL A 108 1.701 -5.027 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.249 -7.074 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.991 -7.403 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.643 -7.350 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.157 -4.896 8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.587 -5.082 7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.555 -3.640 7.680 1.00 0.00 H new ATOM 1646 N LEU A 109 2.825 -6.795 3.675 1.00 0.00 N ATOM 1647 CA LEU A 109 2.026 -7.478 2.663 1.00 0.00 C ATOM 1648 C LEU A 109 1.802 -8.939 3.040 1.00 0.00 C ATOM 1649 O LEU A 109 2.716 -9.758 2.957 1.00 0.00 O ATOM 1650 CB LEU A 109 2.712 -7.390 1.298 1.00 0.00 C ATOM 1651 CG LEU A 109 2.980 -5.980 0.771 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.661 -6.039 -0.587 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.684 -5.188 0.685 1.00 0.00 C ATOM 0 H LEU A 109 3.780 -7.142 3.763 1.00 0.00 H new ATOM 0 HA LEU A 109 1.056 -6.984 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.662 -7.921 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.096 -7.918 0.570 1.00 0.00 H new ATOM 0 HG LEU A 109 3.647 -5.473 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.844 -5.026 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.609 -6.569 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.019 -6.564 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.894 -4.187 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.993 -5.693 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.235 -5.116 1.676 1.00 0.00 H new ATOM 1665 N ASN A 110 0.580 -9.258 3.453 1.00 0.00 N ATOM 1666 CA ASN A 110 0.236 -10.621 3.841 1.00 0.00 C ATOM 1667 C ASN A 110 0.114 -11.521 2.615 1.00 0.00 C ATOM 1668 O ASN A 110 -0.606 -11.203 1.668 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.076 -10.633 4.629 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.917 -10.059 6.024 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -1.156 -10.743 7.019 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.513 -8.797 6.101 1.00 0.00 N ATOM 0 H ASN A 110 -0.188 -8.591 3.528 1.00 0.00 H new ATOM 0 HA ASN A 110 1.036 -11.005 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.828 -10.060 4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.445 -11.656 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.389 -8.356 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.327 -8.268 5.249 1.00 0.00 H new ATOM 1679 N ILE A 111 0.821 -12.645 2.641 1.00 0.00 N ATOM 1680 CA ILE A 111 0.791 -13.592 1.533 1.00 0.00 C ATOM 1681 C ILE A 111 -0.498 -14.407 1.542 1.00 0.00 C ATOM 1682 O ILE A 111 -0.598 -15.425 2.227 1.00 0.00 O ATOM 1683 CB ILE A 111 1.993 -14.554 1.581 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.304 -13.771 1.487 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.898 -15.577 0.460 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.296 -12.705 0.413 1.00 0.00 C ATOM 0 H ILE A 111 1.422 -12.923 3.417 1.00 0.00 H new ATOM 0 HA ILE A 111 0.842 -13.006 0.616 1.00 0.00 H new ATOM 0 HB ILE A 111 1.977 -15.086 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.508 -13.303 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.120 -14.467 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.755 -16.249 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.979 -16.152 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.893 -15.064 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.257 -12.191 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.123 -13.168 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.502 -11.987 0.619 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.483 -13.953 0.774 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.766 -14.640 0.689 1.00 0.00 C ATOM 1700 C LYS A 112 -2.694 -15.808 -0.290 1.00 0.00 C ATOM 1701 O LYS A 112 -1.838 -15.837 -1.174 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.863 -13.664 0.256 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.112 -12.547 1.254 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.883 -13.043 2.466 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.383 -13.035 2.212 1.00 0.00 C ATOM 1706 NZ LYS A 112 -7.158 -12.889 3.475 1.00 0.00 N ATOM 0 H LYS A 112 -1.417 -13.112 0.201 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.006 -15.032 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.590 -13.227 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.790 -14.217 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.159 -12.126 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.669 -11.744 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.560 -14.054 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.655 -12.414 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.633 -12.217 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.672 -13.960 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.175 -12.888 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.939 -13.683 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.901 -11.994 3.938 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.599 -16.767 -0.127 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.639 -17.936 -0.998 1.00 0.00 C ATOM 1722 C ASP A 113 -4.770 -17.816 -2.015 1.00 0.00 C ATOM 1723 O ASP A 113 -5.939 -17.708 -1.647 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.814 -19.210 -0.170 1.00 0.00 C ATOM 1725 CG ASP A 113 -3.167 -20.416 -0.820 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -3.784 -20.999 -1.736 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -2.043 -20.779 -0.412 1.00 0.00 O ATOM 0 H ASP A 113 -4.314 -16.758 0.600 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.693 -17.990 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.382 -19.059 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.877 -19.404 -0.028 1.00 0.00 H new