USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 52 SER OG : rot 174:sc= 0.0171 USER MOD Set 1.2: A 54 THR OG1 : rot -51:sc= 0.0673 USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= -2.55! USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= -1.78 (180deg=-1.79) USER MOD Single : A 26 SER OG : rot -105:sc= 0.0169 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.218 (180deg=-1.14) USER MOD Single : A 73 ASN : amide:sc= -4.76! C(o=-4.8!,f=-5.6!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00621 USER MOD Single : A 82 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-10!) USER MOD Single : A 87 GLN :FLIP amide:sc= -2.04 F(o=-2.7!,f=-2) USER MOD Single : A 91 SER OG : rot -47:sc= 1.18 USER MOD Single : A 95 THR OG1 : rot 160:sc= -1.15 USER MOD Single : A 101 CYS SG : rot 59:sc= 0.00217 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.603 14.919 4.611 1.00 0.00 N ATOM 81 CA GLY A 9 -4.933 13.923 3.796 1.00 0.00 C ATOM 82 C GLY A 9 -3.425 14.077 3.815 1.00 0.00 C ATOM 83 O GLY A 9 -2.696 13.098 3.974 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.198 12.928 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.290 13.999 2.769 1.00 0.00 H new ATOM 87 N LEU A 10 -2.956 15.309 3.651 1.00 0.00 N ATOM 88 CA LEU A 10 -1.524 15.588 3.648 1.00 0.00 C ATOM 89 C LEU A 10 -0.987 15.691 5.072 1.00 0.00 C ATOM 90 O LEU A 10 0.111 16.201 5.296 1.00 0.00 O ATOM 91 CB LEU A 10 -1.239 16.885 2.888 1.00 0.00 C ATOM 92 CG LEU A 10 -2.122 18.080 3.245 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.389 18.078 2.404 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.464 18.067 4.728 1.00 0.00 C ATOM 0 H LEU A 10 -3.546 16.130 3.518 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.018 14.762 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.199 17.163 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.343 16.688 1.821 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.568 18.994 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.005 18.936 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.125 18.137 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.946 17.160 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.093 18.925 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.998 17.148 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.546 18.118 5.314 1.00 0.00 H new ATOM 106 N ARG A 11 -1.767 15.202 6.030 1.00 0.00 N ATOM 107 CA ARG A 11 -1.369 15.238 7.432 1.00 0.00 C ATOM 108 C ARG A 11 -0.586 13.983 7.808 1.00 0.00 C ATOM 109 O ARG A 11 -0.809 12.910 7.248 1.00 0.00 O ATOM 110 CB ARG A 11 -2.600 15.371 8.331 1.00 0.00 C ATOM 111 CG ARG A 11 -3.225 16.756 8.307 1.00 0.00 C ATOM 112 CD ARG A 11 -4.426 16.842 9.236 1.00 0.00 C ATOM 113 NE ARG A 11 -4.645 18.201 9.722 1.00 0.00 N ATOM 114 CZ ARG A 11 -5.059 19.200 8.950 1.00 0.00 C ATOM 115 NH1 ARG A 11 -5.297 18.992 7.662 1.00 0.00 N ATOM 116 NH2 ARG A 11 -5.236 20.410 9.466 1.00 0.00 N ATOM 0 H ARG A 11 -2.678 14.776 5.861 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.725 16.105 7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.346 14.639 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.319 15.126 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.482 17.497 8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.532 17.000 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.316 16.497 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.277 16.173 10.084 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.471 18.394 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.162 18.063 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.615 19.761 7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.054 20.574 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.554 21.176 8.872 1.00 0.00 H new ATOM 130 N GLU A 12 0.333 14.128 8.757 1.00 0.00 N ATOM 131 CA GLU A 12 1.151 13.006 9.205 1.00 0.00 C ATOM 132 C GLU A 12 0.278 11.885 9.761 1.00 0.00 C ATOM 133 O GLU A 12 -0.399 12.054 10.776 1.00 0.00 O ATOM 134 CB GLU A 12 2.148 13.467 10.271 1.00 0.00 C ATOM 135 CG GLU A 12 3.287 12.488 10.501 1.00 0.00 C ATOM 136 CD GLU A 12 4.318 13.014 11.481 1.00 0.00 C ATOM 137 OE1 GLU A 12 4.038 13.008 12.698 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.406 13.432 11.031 1.00 0.00 O ATOM 0 H GLU A 12 0.530 15.010 9.230 1.00 0.00 H new ATOM 0 HA GLU A 12 1.700 12.623 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.562 14.431 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.617 13.622 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.883 11.547 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.773 12.271 9.550 1.00 0.00 H new ATOM 145 N LEU A 13 0.297 10.739 9.088 1.00 0.00 N ATOM 146 CA LEU A 13 -0.492 9.589 9.513 1.00 0.00 C ATOM 147 C LEU A 13 0.410 8.418 9.891 1.00 0.00 C ATOM 148 O LEU A 13 1.577 8.369 9.498 1.00 0.00 O ATOM 149 CB LEU A 13 -1.455 9.167 8.402 1.00 0.00 C ATOM 150 CG LEU A 13 -2.754 9.967 8.300 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.432 9.715 6.962 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.688 9.615 9.448 1.00 0.00 C ATOM 0 H LEU A 13 0.851 10.582 8.246 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.066 9.880 10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.932 9.239 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.709 8.117 8.548 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.512 11.028 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.355 10.293 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.766 10.018 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.662 8.654 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.607 10.194 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.924 8.551 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.203 9.847 10.396 1.00 0.00 H new ATOM 164 N CYS A 14 -0.137 7.478 10.653 1.00 0.00 N ATOM 165 CA CYS A 14 0.618 6.307 11.083 1.00 0.00 C ATOM 166 C CYS A 14 -0.247 5.052 11.029 1.00 0.00 C ATOM 167 O CYS A 14 -1.476 5.131 11.069 1.00 0.00 O ATOM 168 CB CYS A 14 1.154 6.511 12.500 1.00 0.00 C ATOM 169 SG CYS A 14 1.631 8.216 12.870 1.00 0.00 S ATOM 0 H CYS A 14 -1.101 7.504 10.986 1.00 0.00 H new ATOM 0 HA CYS A 14 1.458 6.177 10.401 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.393 6.195 13.214 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.018 5.863 12.647 1.00 0.00 H new ATOM 0 HG CYS A 14 2.070 8.288 14.092 1.00 0.00 H new ATOM 175 N ILE A 15 0.401 3.896 10.938 1.00 0.00 N ATOM 176 CA ILE A 15 -0.310 2.625 10.879 1.00 0.00 C ATOM 177 C ILE A 15 0.174 1.673 11.967 1.00 0.00 C ATOM 178 O ILE A 15 1.276 1.130 11.884 1.00 0.00 O ATOM 179 CB ILE A 15 -0.139 1.948 9.506 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.665 2.858 8.395 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.856 0.606 9.484 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.655 2.210 7.027 1.00 0.00 C ATOM 0 H ILE A 15 1.417 3.813 10.904 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.366 2.846 11.037 1.00 0.00 H new ATOM 0 HB ILE A 15 0.923 1.773 9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.684 3.162 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.061 3.765 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.726 0.140 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.438 -0.042 10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.918 0.758 9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.041 2.913 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.365 1.931 6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.282 1.319 7.042 1.00 0.00 H new ATOM 194 N GLN A 16 -0.657 1.474 12.985 1.00 0.00 N ATOM 195 CA GLN A 16 -0.313 0.586 14.089 1.00 0.00 C ATOM 196 C GLN A 16 -0.561 -0.871 13.713 1.00 0.00 C ATOM 197 O GLN A 16 -1.707 -1.312 13.615 1.00 0.00 O ATOM 198 CB GLN A 16 -1.124 0.949 15.334 1.00 0.00 C ATOM 199 CG GLN A 16 -0.418 1.933 16.254 1.00 0.00 C ATOM 200 CD GLN A 16 -1.387 2.776 17.059 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.784 2.402 18.163 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.773 3.922 16.510 1.00 0.00 N ATOM 0 H GLN A 16 -1.573 1.915 13.068 1.00 0.00 H new ATOM 0 HA GLN A 16 0.748 0.711 14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.079 1.374 15.024 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.346 0.039 15.891 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.234 1.385 16.935 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.220 2.587 15.660 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.419 4.193 15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.424 4.531 17.006 1.00 0.00 H new ATOM 211 N LYS A 17 0.519 -1.615 13.503 1.00 0.00 N ATOM 212 CA LYS A 17 0.421 -3.023 13.138 1.00 0.00 C ATOM 213 C LYS A 17 1.055 -3.908 14.207 1.00 0.00 C ATOM 214 O LYS A 17 1.746 -3.419 15.100 1.00 0.00 O ATOM 215 CB LYS A 17 1.098 -3.271 11.788 1.00 0.00 C ATOM 216 CG LYS A 17 2.584 -3.565 11.898 1.00 0.00 C ATOM 217 CD LYS A 17 3.302 -3.304 10.585 1.00 0.00 C ATOM 218 CE LYS A 17 3.211 -1.841 10.181 1.00 0.00 C ATOM 219 NZ LYS A 17 3.416 -0.931 11.342 1.00 0.00 N ATOM 0 H LYS A 17 1.474 -1.266 13.579 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.636 -3.279 13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.606 -4.108 11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.955 -2.397 11.153 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.021 -2.947 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.729 -4.604 12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.349 -3.592 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.868 -3.926 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.958 -1.628 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.235 -1.647 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.448 0.054 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.631 -1.044 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.313 -1.166 11.813 1.00 0.00 H new ATOM 233 N ALA A 18 0.816 -5.212 14.108 1.00 0.00 N ATOM 234 CA ALA A 18 1.367 -6.164 15.064 1.00 0.00 C ATOM 235 C ALA A 18 2.856 -5.919 15.287 1.00 0.00 C ATOM 236 O ALA A 18 3.508 -5.188 14.541 1.00 0.00 O ATOM 237 CB ALA A 18 1.130 -7.589 14.586 1.00 0.00 C ATOM 0 H ALA A 18 0.245 -5.633 13.375 1.00 0.00 H new ATOM 0 HA ALA A 18 0.856 -6.022 16.016 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.547 -8.290 15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.059 -7.766 14.485 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.614 -7.734 13.620 1.00 0.00 H new ATOM 243 N PRO A 19 3.408 -6.544 16.337 1.00 0.00 N ATOM 244 CA PRO A 19 4.827 -6.409 16.682 1.00 0.00 C ATOM 245 C PRO A 19 5.737 -7.095 15.670 1.00 0.00 C ATOM 246 O PRO A 19 6.956 -7.124 15.837 1.00 0.00 O ATOM 247 CB PRO A 19 4.927 -7.097 18.046 1.00 0.00 C ATOM 248 CG PRO A 19 3.797 -8.068 18.064 1.00 0.00 C ATOM 249 CD PRO A 19 2.691 -7.431 17.268 1.00 0.00 C ATOM 0 HA PRO A 19 5.148 -5.367 16.691 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.885 -7.602 18.165 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.843 -6.377 18.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.094 -9.021 17.626 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.475 -8.273 19.085 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.098 -8.176 16.737 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.006 -6.874 17.907 1.00 0.00 H new ATOM 257 N GLY A 20 5.138 -7.648 14.620 1.00 0.00 N ATOM 258 CA GLY A 20 5.911 -8.327 13.597 1.00 0.00 C ATOM 259 C GLY A 20 5.079 -8.678 12.379 1.00 0.00 C ATOM 260 O GLY A 20 5.252 -9.743 11.788 1.00 0.00 O ATOM 0 H GLY A 20 4.131 -7.638 14.460 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.744 -7.692 13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.340 -9.238 14.015 1.00 0.00 H new ATOM 264 N GLU A 21 4.172 -7.781 12.005 1.00 0.00 N ATOM 265 CA GLU A 21 3.308 -8.004 10.852 1.00 0.00 C ATOM 266 C GLU A 21 3.801 -7.214 9.642 1.00 0.00 C ATOM 267 O GLU A 21 4.130 -6.033 9.751 1.00 0.00 O ATOM 268 CB GLU A 21 1.867 -7.606 11.180 1.00 0.00 C ATOM 269 CG GLU A 21 0.894 -7.848 10.039 1.00 0.00 C ATOM 270 CD GLU A 21 0.925 -9.280 9.539 1.00 0.00 C ATOM 271 OE1 GLU A 21 0.877 -10.203 10.378 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.997 -9.476 8.308 1.00 0.00 O ATOM 0 H GLU A 21 4.017 -6.894 12.483 1.00 0.00 H new ATOM 0 HA GLU A 21 3.338 -9.066 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.535 -8.165 12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.843 -6.550 11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.116 -7.604 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.131 -7.174 9.215 1.00 0.00 H new ATOM 279 N ARG A 22 3.850 -7.876 8.491 1.00 0.00 N ATOM 280 CA ARG A 22 4.305 -7.238 7.261 1.00 0.00 C ATOM 281 C ARG A 22 3.202 -6.374 6.657 1.00 0.00 C ATOM 282 O ARG A 22 2.147 -6.877 6.269 1.00 0.00 O ATOM 283 CB ARG A 22 4.752 -8.294 6.249 1.00 0.00 C ATOM 284 CG ARG A 22 6.178 -8.776 6.461 1.00 0.00 C ATOM 285 CD ARG A 22 6.597 -9.767 5.387 1.00 0.00 C ATOM 286 NE ARG A 22 8.016 -10.101 5.473 1.00 0.00 N ATOM 287 CZ ARG A 22 8.593 -11.051 4.746 1.00 0.00 C ATOM 288 NH1 ARG A 22 7.876 -11.758 3.883 1.00 0.00 N ATOM 289 NH2 ARG A 22 9.890 -11.296 4.882 1.00 0.00 N ATOM 0 H ARG A 22 3.580 -8.854 8.384 1.00 0.00 H new ATOM 0 HA ARG A 22 5.152 -6.597 7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.077 -9.148 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.662 -7.882 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.856 -7.923 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.263 -9.244 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.004 -10.677 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.382 -9.348 4.404 1.00 0.00 H new ATOM 0 HE ARG A 22 8.596 -9.576 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.879 -11.573 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.322 -12.487 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.444 -10.755 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.332 -12.026 4.323 1.00 0.00 H new ATOM 303 N LEU A 23 3.453 -5.072 6.581 1.00 0.00 N ATOM 304 CA LEU A 23 2.481 -4.137 6.025 1.00 0.00 C ATOM 305 C LEU A 23 1.687 -4.784 4.895 1.00 0.00 C ATOM 306 O LEU A 23 0.457 -4.763 4.895 1.00 0.00 O ATOM 307 CB LEU A 23 3.188 -2.881 5.512 1.00 0.00 C ATOM 308 CG LEU A 23 2.399 -1.576 5.619 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.942 -1.801 5.244 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.507 -1.000 7.023 1.00 0.00 C ATOM 0 H LEU A 23 4.321 -4.640 6.897 1.00 0.00 H new ATOM 0 HA LEU A 23 1.787 -3.858 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.122 -2.764 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.452 -3.038 4.466 1.00 0.00 H new ATOM 0 HG LEU A 23 2.827 -0.857 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.396 -0.861 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.882 -2.167 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.502 -2.536 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.939 -0.071 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.106 -1.715 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.553 -0.800 7.255 1.00 0.00 H new ATOM 322 N GLY A 24 2.401 -5.362 3.933 1.00 0.00 N ATOM 323 CA GLY A 24 1.746 -6.010 2.811 1.00 0.00 C ATOM 324 C GLY A 24 1.166 -5.015 1.825 1.00 0.00 C ATOM 325 O GLY A 24 0.049 -5.193 1.339 1.00 0.00 O ATOM 0 H GLY A 24 3.420 -5.393 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.462 -6.651 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.950 -6.655 3.182 1.00 0.00 H new ATOM 329 N ILE A 25 1.925 -3.965 1.531 1.00 0.00 N ATOM 330 CA ILE A 25 1.479 -2.938 0.597 1.00 0.00 C ATOM 331 C ILE A 25 2.376 -2.889 -0.635 1.00 0.00 C ATOM 332 O ILE A 25 3.360 -3.621 -0.729 1.00 0.00 O ATOM 333 CB ILE A 25 1.456 -1.547 1.258 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.648 -1.389 2.204 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.148 -1.337 2.006 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.138 0.037 2.326 1.00 0.00 C ATOM 0 H ILE A 25 2.851 -3.803 1.926 1.00 0.00 H new ATOM 0 HA ILE A 25 0.466 -3.204 0.295 1.00 0.00 H new ATOM 0 HB ILE A 25 1.531 -0.789 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.368 -1.754 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.466 -2.017 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.147 -0.350 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.686 -1.412 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.044 -2.099 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.984 0.074 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.449 0.400 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.334 0.667 2.707 1.00 0.00 H new ATOM 348 N SER A 26 2.029 -2.018 -1.578 1.00 0.00 N ATOM 349 CA SER A 26 2.801 -1.874 -2.806 1.00 0.00 C ATOM 350 C SER A 26 2.877 -0.410 -3.232 1.00 0.00 C ATOM 351 O SER A 26 2.035 0.403 -2.848 1.00 0.00 O ATOM 352 CB SER A 26 2.180 -2.711 -3.926 1.00 0.00 C ATOM 353 OG SER A 26 3.171 -3.173 -4.827 1.00 0.00 O ATOM 0 H SER A 26 1.219 -1.402 -1.515 1.00 0.00 H new ATOM 0 HA SER A 26 3.813 -2.232 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.649 -3.561 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.444 -2.114 -4.465 1.00 0.00 H new ATOM 0 HG SER A 26 3.129 -2.651 -5.655 1.00 0.00 H new ATOM 359 N ILE A 27 3.890 -0.083 -4.026 1.00 0.00 N ATOM 360 CA ILE A 27 4.076 1.281 -4.505 1.00 0.00 C ATOM 361 C ILE A 27 4.738 1.296 -5.878 1.00 0.00 C ATOM 362 O ILE A 27 5.503 0.395 -6.220 1.00 0.00 O ATOM 363 CB ILE A 27 4.929 2.110 -3.526 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.384 1.639 -3.560 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.367 2.009 -2.116 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.339 2.573 -2.850 1.00 0.00 C ATOM 0 H ILE A 27 4.595 -0.744 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 27 3.085 1.728 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 27 4.897 3.155 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.448 0.651 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.698 1.532 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.981 2.600 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.345 2.387 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.372 0.967 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.352 2.176 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.304 3.556 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.050 2.662 -1.803 1.00 0.00 H new ATOM 378 N ARG A 28 4.439 2.328 -6.661 1.00 0.00 N ATOM 379 CA ARG A 28 5.005 2.461 -7.998 1.00 0.00 C ATOM 380 C ARG A 28 5.662 3.827 -8.176 1.00 0.00 C ATOM 381 O ARG A 28 5.021 4.863 -8.003 1.00 0.00 O ATOM 382 CB ARG A 28 3.920 2.263 -9.057 1.00 0.00 C ATOM 383 CG ARG A 28 2.781 3.265 -8.957 1.00 0.00 C ATOM 384 CD ARG A 28 1.718 3.009 -10.014 1.00 0.00 C ATOM 385 NE ARG A 28 0.507 3.788 -9.774 1.00 0.00 N ATOM 386 CZ ARG A 28 -0.408 4.030 -10.705 1.00 0.00 C ATOM 387 NH1 ARG A 28 -0.251 3.555 -11.933 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.484 4.748 -10.409 1.00 0.00 N ATOM 0 H ARG A 28 3.808 3.083 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 28 5.767 1.691 -8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.372 2.337 -10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.515 1.255 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.331 3.208 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.173 4.276 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.118 3.256 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.469 1.948 -10.028 1.00 0.00 H new ATOM 0 HE ARG A 28 0.355 4.167 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.574 3.002 -12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.956 3.742 -12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.609 5.115 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.186 4.933 -11.125 1.00 0.00 H new ATOM 402 N GLY A 29 6.945 3.821 -8.523 1.00 0.00 N ATOM 403 CA GLY A 29 7.667 5.065 -8.719 1.00 0.00 C ATOM 404 C GLY A 29 9.170 4.880 -8.644 1.00 0.00 C ATOM 405 O GLY A 29 9.679 3.782 -8.861 1.00 0.00 O ATOM 0 H GLY A 29 7.498 2.977 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.404 5.486 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.354 5.786 -7.964 1.00 0.00 H new ATOM 409 N GLY A 30 9.883 5.960 -8.337 1.00 0.00 N ATOM 410 CA GLY A 30 11.329 5.892 -8.242 1.00 0.00 C ATOM 411 C GLY A 30 12.014 6.999 -9.017 1.00 0.00 C ATOM 412 O GLY A 30 11.384 7.684 -9.822 1.00 0.00 O ATOM 0 H GLY A 30 9.484 6.881 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.624 5.950 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.669 4.927 -8.616 1.00 0.00 H new ATOM 611 N GLY A 45 7.823 10.627 -9.392 1.00 0.00 N ATOM 612 CA GLY A 45 6.885 10.527 -8.289 1.00 0.00 C ATOM 613 C GLY A 45 6.671 9.096 -7.838 1.00 0.00 C ATOM 614 O GLY A 45 6.738 8.167 -8.643 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.251 11.118 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.929 10.957 -8.589 1.00 0.00 H new ATOM 618 N ILE A 46 6.416 8.917 -6.546 1.00 0.00 N ATOM 619 CA ILE A 46 6.193 7.588 -5.989 1.00 0.00 C ATOM 620 C ILE A 46 4.857 7.516 -5.258 1.00 0.00 C ATOM 621 O ILE A 46 4.634 8.226 -4.277 1.00 0.00 O ATOM 622 CB ILE A 46 7.319 7.189 -5.018 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.669 7.191 -5.739 1.00 0.00 C ATOM 624 CG2 ILE A 46 7.037 5.822 -4.413 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.855 7.219 -4.800 1.00 0.00 C ATOM 0 H ILE A 46 6.359 9.675 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 46 6.184 6.891 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 46 7.359 7.920 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.736 6.305 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.718 8.057 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.842 5.554 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.093 5.853 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.974 5.079 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.778 7.219 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.812 8.119 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.831 6.339 -4.157 1.00 0.00 H new ATOM 637 N PHE A 47 3.970 6.652 -5.740 1.00 0.00 N ATOM 638 CA PHE A 47 2.655 6.485 -5.132 1.00 0.00 C ATOM 639 C PHE A 47 2.363 5.012 -4.864 1.00 0.00 C ATOM 640 O PHE A 47 3.215 4.150 -5.079 1.00 0.00 O ATOM 641 CB PHE A 47 1.572 7.075 -6.038 1.00 0.00 C ATOM 642 CG PHE A 47 1.861 8.481 -6.479 1.00 0.00 C ATOM 643 CD1 PHE A 47 2.979 8.766 -7.245 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.013 9.519 -6.127 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.247 10.059 -7.653 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.275 10.814 -6.533 1.00 0.00 C ATOM 647 CZ PHE A 47 2.394 11.085 -7.296 1.00 0.00 C ATOM 0 H PHE A 47 4.138 6.056 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 47 2.652 7.017 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.461 6.442 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.618 7.057 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.650 7.968 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.138 9.314 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.122 10.267 -8.250 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.605 11.614 -6.254 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.601 12.096 -7.613 1.00 0.00 H new ATOM 657 N ILE A 48 1.152 4.731 -4.393 1.00 0.00 N ATOM 658 CA ILE A 48 0.747 3.363 -4.095 1.00 0.00 C ATOM 659 C ILE A 48 0.214 2.665 -5.341 1.00 0.00 C ATOM 660 O ILE A 48 -0.523 3.257 -6.130 1.00 0.00 O ATOM 661 CB ILE A 48 -0.331 3.322 -2.996 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.232 3.859 -1.679 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.850 1.903 -2.817 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.811 4.010 -0.593 1.00 0.00 C ATOM 0 H ILE A 48 0.435 5.433 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 48 1.635 2.840 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.163 3.957 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.016 3.188 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.699 4.827 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.611 1.890 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.284 1.553 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.027 1.248 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.341 4.395 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.583 4.704 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.261 3.040 -0.383 1.00 0.00 H new ATOM 676 N SER A 49 0.590 1.401 -5.512 1.00 0.00 N ATOM 677 CA SER A 49 0.151 0.622 -6.663 1.00 0.00 C ATOM 678 C SER A 49 -0.715 -0.556 -6.224 1.00 0.00 C ATOM 679 O SER A 49 -1.426 -1.154 -7.032 1.00 0.00 O ATOM 680 CB SER A 49 1.359 0.114 -7.453 1.00 0.00 C ATOM 681 OG SER A 49 1.998 -0.955 -6.776 1.00 0.00 O ATOM 0 H SER A 49 1.198 0.895 -4.868 1.00 0.00 H new ATOM 0 HA SER A 49 -0.446 1.271 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.038 -0.217 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.068 0.928 -7.604 1.00 0.00 H new ATOM 0 HG SER A 49 2.766 -1.263 -7.302 1.00 0.00 H new ATOM 687 N LYS A 50 -0.650 -0.883 -4.938 1.00 0.00 N ATOM 688 CA LYS A 50 -1.427 -1.987 -4.388 1.00 0.00 C ATOM 689 C LYS A 50 -1.324 -2.020 -2.867 1.00 0.00 C ATOM 690 O LYS A 50 -0.319 -1.600 -2.293 1.00 0.00 O ATOM 691 CB LYS A 50 -0.946 -3.317 -4.972 1.00 0.00 C ATOM 692 CG LYS A 50 -1.797 -4.506 -4.561 1.00 0.00 C ATOM 693 CD LYS A 50 -2.847 -4.830 -5.610 1.00 0.00 C ATOM 694 CE LYS A 50 -4.146 -4.083 -5.349 1.00 0.00 C ATOM 695 NZ LYS A 50 -4.765 -4.483 -4.055 1.00 0.00 N ATOM 0 H LYS A 50 -0.066 -0.398 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.471 -1.835 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.939 -3.245 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.083 -3.491 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.158 -5.375 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.285 -4.294 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.468 -4.569 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.038 -5.903 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.953 -3.010 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.846 -4.277 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.711 -4.878 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.171 -5.200 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.846 -3.650 -3.437 1.00 0.00 H new ATOM 709 N VAL A 51 -2.370 -2.524 -2.218 1.00 0.00 N ATOM 710 CA VAL A 51 -2.395 -2.615 -0.763 1.00 0.00 C ATOM 711 C VAL A 51 -3.442 -3.619 -0.294 1.00 0.00 C ATOM 712 O VAL A 51 -4.644 -3.380 -0.414 1.00 0.00 O ATOM 713 CB VAL A 51 -2.688 -1.246 -0.121 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.598 -0.419 -1.016 1.00 0.00 C ATOM 715 CG2 VAL A 51 -3.305 -1.427 1.258 1.00 0.00 C ATOM 0 H VAL A 51 -3.210 -2.875 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.407 -2.951 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.746 -0.709 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.793 0.544 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.114 -0.261 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.540 -0.947 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.506 -0.450 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.238 -1.984 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.614 -1.977 1.897 1.00 0.00 H new ATOM 725 N SER A 52 -2.978 -4.744 0.241 1.00 0.00 N ATOM 726 CA SER A 52 -3.874 -5.787 0.726 1.00 0.00 C ATOM 727 C SER A 52 -4.811 -5.242 1.800 1.00 0.00 C ATOM 728 O SER A 52 -4.410 -4.483 2.683 1.00 0.00 O ATOM 729 CB SER A 52 -3.068 -6.961 1.285 1.00 0.00 C ATOM 730 OG SER A 52 -3.922 -7.951 1.832 1.00 0.00 O ATOM 0 H SER A 52 -1.986 -4.956 0.349 1.00 0.00 H new ATOM 0 HA SER A 52 -4.475 -6.135 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.459 -7.398 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.383 -6.603 2.053 1.00 0.00 H new ATOM 0 HG SER A 52 -3.391 -8.732 2.094 1.00 0.00 H new ATOM 736 N PRO A 53 -6.090 -5.637 1.723 1.00 0.00 N ATOM 737 CA PRO A 53 -7.112 -5.201 2.680 1.00 0.00 C ATOM 738 C PRO A 53 -6.906 -5.806 4.064 1.00 0.00 C ATOM 739 O PRO A 53 -7.369 -5.262 5.067 1.00 0.00 O ATOM 740 CB PRO A 53 -8.417 -5.711 2.062 1.00 0.00 C ATOM 741 CG PRO A 53 -8.009 -6.870 1.219 1.00 0.00 C ATOM 742 CD PRO A 53 -6.638 -6.540 0.697 1.00 0.00 C ATOM 0 HA PRO A 53 -7.091 -4.122 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.128 -6.012 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.901 -4.938 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.993 -7.791 1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.712 -7.024 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.026 -7.435 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.685 -6.057 -0.279 1.00 0.00 H new ATOM 750 N THR A 54 -6.207 -6.937 4.113 1.00 0.00 N ATOM 751 CA THR A 54 -5.940 -7.616 5.374 1.00 0.00 C ATOM 752 C THR A 54 -4.649 -7.111 6.008 1.00 0.00 C ATOM 753 O THR A 54 -4.407 -7.319 7.196 1.00 0.00 O ATOM 754 CB THR A 54 -5.841 -9.141 5.181 1.00 0.00 C ATOM 755 OG1 THR A 54 -4.578 -9.480 4.598 1.00 0.00 O ATOM 756 CG2 THR A 54 -6.967 -9.648 4.292 1.00 0.00 C ATOM 0 H THR A 54 -5.816 -7.401 3.293 1.00 0.00 H new ATOM 0 HA THR A 54 -6.777 -7.394 6.035 1.00 0.00 H new ATOM 0 HB THR A 54 -5.929 -9.615 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.428 -8.931 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.876 -10.727 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.927 -9.414 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.905 -9.166 3.316 1.00 0.00 H new ATOM 764 N GLY A 55 -3.823 -6.444 5.207 1.00 0.00 N ATOM 765 CA GLY A 55 -2.567 -5.919 5.709 1.00 0.00 C ATOM 766 C GLY A 55 -2.765 -4.782 6.692 1.00 0.00 C ATOM 767 O GLY A 55 -3.883 -4.305 6.882 1.00 0.00 O ATOM 0 H GLY A 55 -4.001 -6.258 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.009 -6.721 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.962 -5.570 4.872 1.00 0.00 H new ATOM 771 N ALA A 56 -1.677 -4.349 7.320 1.00 0.00 N ATOM 772 CA ALA A 56 -1.736 -3.261 8.289 1.00 0.00 C ATOM 773 C ALA A 56 -2.373 -2.017 7.679 1.00 0.00 C ATOM 774 O ALA A 56 -3.136 -1.312 8.339 1.00 0.00 O ATOM 775 CB ALA A 56 -0.343 -2.942 8.810 1.00 0.00 C ATOM 0 H ALA A 56 -0.744 -4.735 7.175 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.358 -3.584 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.402 -2.128 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.076 -3.825 9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.297 -2.644 7.979 1.00 0.00 H new ATOM 781 N ALA A 57 -2.054 -1.753 6.416 1.00 0.00 N ATOM 782 CA ALA A 57 -2.596 -0.594 5.718 1.00 0.00 C ATOM 783 C ALA A 57 -4.066 -0.803 5.367 1.00 0.00 C ATOM 784 O ALA A 57 -4.929 -0.035 5.789 1.00 0.00 O ATOM 785 CB ALA A 57 -1.787 -0.310 4.461 1.00 0.00 C ATOM 0 H ALA A 57 -1.423 -2.326 5.856 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.527 0.266 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.203 0.558 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.751 -0.109 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.827 -1.175 3.799 1.00 0.00 H new ATOM 791 N GLY A 58 -4.343 -1.847 4.592 1.00 0.00 N ATOM 792 CA GLY A 58 -5.709 -2.137 4.198 1.00 0.00 C ATOM 793 C GLY A 58 -6.681 -2.037 5.357 1.00 0.00 C ATOM 794 O GLY A 58 -7.798 -1.545 5.198 1.00 0.00 O ATOM 0 H GLY A 58 -3.645 -2.497 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.012 -1.444 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.756 -3.140 3.774 1.00 0.00 H new ATOM 798 N ARG A 59 -6.255 -2.505 6.526 1.00 0.00 N ATOM 799 CA ARG A 59 -7.097 -2.469 7.716 1.00 0.00 C ATOM 800 C ARG A 59 -7.068 -1.086 8.360 1.00 0.00 C ATOM 801 O ARG A 59 -7.965 -0.726 9.122 1.00 0.00 O ATOM 802 CB ARG A 59 -6.637 -3.523 8.724 1.00 0.00 C ATOM 803 CG ARG A 59 -5.336 -3.169 9.425 1.00 0.00 C ATOM 804 CD ARG A 59 -4.956 -4.218 10.458 1.00 0.00 C ATOM 805 NE ARG A 59 -4.068 -3.680 11.485 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.664 -4.372 12.544 1.00 0.00 C ATOM 807 NH1 ARG A 59 -4.066 -5.624 12.714 1.00 0.00 N ATOM 808 NH2 ARG A 59 -2.856 -3.813 13.435 1.00 0.00 N ATOM 0 H ARG A 59 -5.332 -2.913 6.674 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.121 -2.689 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.417 -3.662 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.515 -4.476 8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.538 -3.077 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.436 -2.198 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.859 -4.608 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.468 -5.056 9.961 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.740 -2.720 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.687 -6.058 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.754 -6.154 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.544 -2.850 13.307 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.547 -4.346 14.248 1.00 0.00 H new ATOM 822 N ASP A 60 -6.030 -0.316 8.050 1.00 0.00 N ATOM 823 CA ASP A 60 -5.884 1.027 8.598 1.00 0.00 C ATOM 824 C ASP A 60 -7.060 1.911 8.193 1.00 0.00 C ATOM 825 O ASP A 60 -7.775 2.438 9.043 1.00 0.00 O ATOM 826 CB ASP A 60 -4.572 1.654 8.125 1.00 0.00 C ATOM 827 CG ASP A 60 -4.208 2.898 8.911 1.00 0.00 C ATOM 828 OD1 ASP A 60 -3.525 2.767 9.948 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.606 4.004 8.488 1.00 0.00 O ATOM 0 H ASP A 60 -5.278 -0.599 7.422 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.869 0.949 9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.769 0.922 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.654 1.907 7.068 1.00 0.00 H new ATOM 834 N GLY A 61 -7.252 2.068 6.886 1.00 0.00 N ATOM 835 CA GLY A 61 -8.341 2.890 6.391 1.00 0.00 C ATOM 836 C GLY A 61 -7.854 4.184 5.769 1.00 0.00 C ATOM 837 O GLY A 61 -8.599 4.856 5.055 1.00 0.00 O ATOM 0 H GLY A 61 -6.674 1.641 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.910 2.327 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.022 3.118 7.211 1.00 0.00 H new ATOM 841 N ARG A 62 -6.602 4.536 6.042 1.00 0.00 N ATOM 842 CA ARG A 62 -6.019 5.760 5.507 1.00 0.00 C ATOM 843 C ARG A 62 -4.987 5.444 4.429 1.00 0.00 C ATOM 844 O ARG A 62 -4.264 6.328 3.967 1.00 0.00 O ATOM 845 CB ARG A 62 -5.368 6.572 6.628 1.00 0.00 C ATOM 846 CG ARG A 62 -6.145 6.540 7.934 1.00 0.00 C ATOM 847 CD ARG A 62 -7.306 7.521 7.916 1.00 0.00 C ATOM 848 NE ARG A 62 -8.467 6.983 7.213 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.536 7.706 6.897 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.590 8.991 7.221 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.553 7.145 6.257 1.00 0.00 N ATOM 0 H ARG A 62 -5.972 3.991 6.631 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.820 6.348 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.362 6.191 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.264 7.607 6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.522 5.532 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.477 6.780 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.586 7.770 8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.990 8.448 7.437 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.457 5.998 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.810 9.426 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.412 9.544 6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.515 6.157 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.373 7.702 6.015 1.00 0.00 H new ATOM 865 N LEU A 63 -4.923 4.178 4.031 1.00 0.00 N ATOM 866 CA LEU A 63 -3.979 3.744 3.007 1.00 0.00 C ATOM 867 C LEU A 63 -4.705 3.074 1.846 1.00 0.00 C ATOM 868 O LEU A 63 -5.377 2.058 2.024 1.00 0.00 O ATOM 869 CB LEU A 63 -2.953 2.780 3.606 1.00 0.00 C ATOM 870 CG LEU A 63 -1.617 2.679 2.870 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.814 2.084 1.485 1.00 0.00 C ATOM 872 CD2 LEU A 63 -0.955 4.046 2.777 1.00 0.00 C ATOM 0 H LEU A 63 -5.514 3.434 4.402 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.462 4.626 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.756 3.083 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.399 1.786 3.647 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.961 2.018 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.852 2.020 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.244 1.086 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.488 2.718 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.005 3.955 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.607 4.730 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.778 4.433 3.780 1.00 0.00 H new ATOM 884 N ARG A 64 -4.564 3.648 0.656 1.00 0.00 N ATOM 885 CA ARG A 64 -5.207 3.106 -0.535 1.00 0.00 C ATOM 886 C ARG A 64 -4.328 3.308 -1.767 1.00 0.00 C ATOM 887 O ARG A 64 -3.370 4.081 -1.739 1.00 0.00 O ATOM 888 CB ARG A 64 -6.568 3.769 -0.753 1.00 0.00 C ATOM 889 CG ARG A 64 -7.381 3.924 0.521 1.00 0.00 C ATOM 890 CD ARG A 64 -8.869 4.029 0.224 1.00 0.00 C ATOM 891 NE ARG A 64 -9.408 2.784 -0.317 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.699 2.585 -0.557 1.00 0.00 C ATOM 893 NH1 ARG A 64 -11.579 3.545 -0.305 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.113 1.425 -1.049 1.00 0.00 N ATOM 0 H ARG A 64 -4.010 4.488 0.491 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.352 2.036 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.416 4.752 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.140 3.179 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.199 3.072 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.052 4.814 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.404 4.289 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.041 4.837 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.757 2.026 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.265 4.438 0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.570 3.390 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.440 0.684 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.105 1.274 -1.233 1.00 0.00 H new ATOM 908 N VAL A 65 -4.660 2.606 -2.846 1.00 0.00 N ATOM 909 CA VAL A 65 -3.902 2.708 -4.087 1.00 0.00 C ATOM 910 C VAL A 65 -4.246 3.990 -4.837 1.00 0.00 C ATOM 911 O VAL A 65 -5.238 4.051 -5.562 1.00 0.00 O ATOM 912 CB VAL A 65 -4.166 1.502 -5.007 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.519 1.715 -6.367 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.661 0.220 -4.362 1.00 0.00 C ATOM 0 H VAL A 65 -5.449 1.961 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.847 2.722 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.242 1.409 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.717 0.852 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.933 2.610 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.443 1.836 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.856 -0.622 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.589 0.301 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.176 0.062 -3.415 1.00 0.00 H new ATOM 924 N GLY A 66 -3.417 5.015 -4.658 1.00 0.00 N ATOM 925 CA GLY A 66 -3.650 6.282 -5.325 1.00 0.00 C ATOM 926 C GLY A 66 -2.996 7.445 -4.605 1.00 0.00 C ATOM 927 O GLY A 66 -2.724 8.484 -5.207 1.00 0.00 O ATOM 0 H GLY A 66 -2.589 4.990 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.268 6.228 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.723 6.460 -5.396 1.00 0.00 H new ATOM 931 N LEU A 67 -2.746 7.272 -3.312 1.00 0.00 N ATOM 932 CA LEU A 67 -2.121 8.317 -2.507 1.00 0.00 C ATOM 933 C LEU A 67 -0.648 8.474 -2.868 1.00 0.00 C ATOM 934 O LEU A 67 -0.039 7.571 -3.441 1.00 0.00 O ATOM 935 CB LEU A 67 -2.261 7.994 -1.018 1.00 0.00 C ATOM 936 CG LEU A 67 -3.664 8.143 -0.429 1.00 0.00 C ATOM 937 CD1 LEU A 67 -4.596 7.080 -0.991 1.00 0.00 C ATOM 938 CD2 LEU A 67 -3.616 8.062 1.090 1.00 0.00 C ATOM 0 H LEU A 67 -2.966 6.419 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.630 9.257 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.927 6.969 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.584 8.641 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.052 9.122 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.590 7.203 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.655 7.184 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.212 6.091 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.623 8.170 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.207 7.097 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.983 8.861 1.477 1.00 0.00 H new ATOM 950 N ARG A 68 -0.080 9.627 -2.528 1.00 0.00 N ATOM 951 CA ARG A 68 1.322 9.903 -2.815 1.00 0.00 C ATOM 952 C ARG A 68 2.163 9.822 -1.545 1.00 0.00 C ATOM 953 O ARG A 68 1.957 10.587 -0.601 1.00 0.00 O ATOM 954 CB ARG A 68 1.472 11.285 -3.452 1.00 0.00 C ATOM 955 CG ARG A 68 2.882 11.584 -3.936 1.00 0.00 C ATOM 956 CD ARG A 68 2.954 12.924 -4.649 1.00 0.00 C ATOM 957 NE ARG A 68 4.266 13.550 -4.508 1.00 0.00 N ATOM 958 CZ ARG A 68 4.634 14.254 -3.443 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.793 14.420 -2.432 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.846 14.792 -3.388 1.00 0.00 N ATOM 0 H ARG A 68 -0.570 10.385 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 68 1.679 9.148 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.784 11.364 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.178 12.044 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.566 11.585 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.211 10.794 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.731 12.784 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.190 13.590 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 68 4.937 13.441 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.861 14.007 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.078 14.961 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.496 14.665 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.127 15.332 -2.570 1.00 0.00 H new ATOM 974 N LEU A 69 3.112 8.892 -1.527 1.00 0.00 N ATOM 975 CA LEU A 69 3.984 8.711 -0.372 1.00 0.00 C ATOM 976 C LEU A 69 4.887 9.925 -0.176 1.00 0.00 C ATOM 977 O LEU A 69 5.874 10.100 -0.892 1.00 0.00 O ATOM 978 CB LEU A 69 4.835 7.451 -0.544 1.00 0.00 C ATOM 979 CG LEU A 69 4.294 6.182 0.115 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.546 6.210 1.615 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.809 6.021 -0.176 1.00 0.00 C ATOM 0 H LEU A 69 3.297 8.252 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 69 3.357 8.601 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.955 7.260 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.829 7.650 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 69 4.821 5.325 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.154 5.299 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.618 6.276 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.047 7.075 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.441 5.113 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.266 6.881 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.654 5.954 -1.253 1.00 0.00 H new ATOM 993 N LEU A 70 4.544 10.759 0.798 1.00 0.00 N ATOM 994 CA LEU A 70 5.325 11.957 1.091 1.00 0.00 C ATOM 995 C LEU A 70 6.525 11.622 1.971 1.00 0.00 C ATOM 996 O LEU A 70 7.628 12.122 1.748 1.00 0.00 O ATOM 997 CB LEU A 70 4.449 13.005 1.780 1.00 0.00 C ATOM 998 CG LEU A 70 3.732 13.991 0.858 1.00 0.00 C ATOM 999 CD1 LEU A 70 2.854 13.249 -0.138 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.904 14.976 1.670 1.00 0.00 C ATOM 0 H LEU A 70 3.730 10.629 1.399 1.00 0.00 H new ATOM 0 HA LEU A 70 5.691 12.362 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.699 12.487 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.072 13.572 2.472 1.00 0.00 H new ATOM 0 HG LEU A 70 4.484 14.551 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.352 13.967 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.471 12.585 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.109 12.663 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.401 15.670 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.160 14.432 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.557 15.532 2.343 1.00 0.00 H new ATOM 1012 N GLU A 71 6.303 10.773 2.969 1.00 0.00 N ATOM 1013 CA GLU A 71 7.367 10.372 3.881 1.00 0.00 C ATOM 1014 C GLU A 71 6.989 9.098 4.631 1.00 0.00 C ATOM 1015 O GLU A 71 5.831 8.901 5.000 1.00 0.00 O ATOM 1016 CB GLU A 71 7.665 11.494 4.878 1.00 0.00 C ATOM 1017 CG GLU A 71 8.151 12.776 4.224 1.00 0.00 C ATOM 1018 CD GLU A 71 8.736 13.756 5.223 1.00 0.00 C ATOM 1019 OE1 GLU A 71 8.954 13.356 6.386 1.00 0.00 O ATOM 1020 OE2 GLU A 71 8.974 14.921 4.843 1.00 0.00 O ATOM 0 H GLU A 71 5.396 10.350 3.166 1.00 0.00 H new ATOM 0 HA GLU A 71 8.261 10.174 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.763 11.708 5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.419 11.149 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.904 12.534 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.321 13.249 3.700 1.00 0.00 H new ATOM 1027 N VAL A 72 7.975 8.234 4.853 1.00 0.00 N ATOM 1028 CA VAL A 72 7.748 6.979 5.559 1.00 0.00 C ATOM 1029 C VAL A 72 8.626 6.880 6.801 1.00 0.00 C ATOM 1030 O VAL A 72 9.839 6.699 6.703 1.00 0.00 O ATOM 1031 CB VAL A 72 8.025 5.766 4.650 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.844 4.468 5.422 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.120 5.799 3.428 1.00 0.00 C ATOM 0 H VAL A 72 8.939 8.381 4.554 1.00 0.00 H new ATOM 0 HA VAL A 72 6.700 6.969 5.857 1.00 0.00 H new ATOM 0 HB VAL A 72 9.059 5.817 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.044 3.622 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.537 4.445 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.821 4.405 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.329 4.935 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.078 5.772 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.304 6.713 2.864 1.00 0.00 H new ATOM 1043 N ASN A 73 8.004 7.000 7.969 1.00 0.00 N ATOM 1044 CA ASN A 73 8.729 6.925 9.233 1.00 0.00 C ATOM 1045 C ASN A 73 9.696 8.096 9.376 1.00 0.00 C ATOM 1046 O ASN A 73 10.824 7.929 9.837 1.00 0.00 O ATOM 1047 CB ASN A 73 9.494 5.603 9.327 1.00 0.00 C ATOM 1048 CG ASN A 73 8.717 4.536 10.073 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.084 4.813 11.092 1.00 0.00 O ATOM 1050 ND2 ASN A 73 8.762 3.309 9.568 1.00 0.00 N ATOM 0 H ASN A 73 7.000 7.150 8.067 1.00 0.00 H new ATOM 0 HA ASN A 73 8.003 6.976 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.722 5.247 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.446 5.773 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.259 2.550 10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.300 3.126 8.721 1.00 0.00 H new ATOM 1057 N GLN A 74 9.244 9.281 8.979 1.00 0.00 N ATOM 1058 CA GLN A 74 10.068 10.481 9.063 1.00 0.00 C ATOM 1059 C GLN A 74 11.298 10.360 8.168 1.00 0.00 C ATOM 1060 O GLN A 74 12.358 10.903 8.479 1.00 0.00 O ATOM 1061 CB GLN A 74 10.498 10.729 10.510 1.00 0.00 C ATOM 1062 CG GLN A 74 9.351 11.119 11.427 1.00 0.00 C ATOM 1063 CD GLN A 74 9.595 10.722 12.870 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.203 11.469 13.637 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.122 9.540 13.247 1.00 0.00 N ATOM 0 H GLN A 74 8.311 9.436 8.596 1.00 0.00 H new ATOM 0 HA GLN A 74 9.472 11.326 8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.973 9.828 10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.250 11.518 10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.197 12.197 11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.433 10.648 11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.624 8.953 12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.257 9.219 14.206 1.00 0.00 H new ATOM 1074 N GLN A 75 11.148 9.645 7.058 1.00 0.00 N ATOM 1075 CA GLN A 75 12.247 9.452 6.120 1.00 0.00 C ATOM 1076 C GLN A 75 11.838 9.866 4.710 1.00 0.00 C ATOM 1077 O GLN A 75 11.288 9.066 3.953 1.00 0.00 O ATOM 1078 CB GLN A 75 12.699 7.991 6.124 1.00 0.00 C ATOM 1079 CG GLN A 75 13.162 7.502 7.487 1.00 0.00 C ATOM 1080 CD GLN A 75 14.206 6.406 7.389 1.00 0.00 C ATOM 1081 OE1 GLN A 75 14.918 6.298 6.390 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.303 5.586 8.429 1.00 0.00 N ATOM 0 H GLN A 75 10.276 9.190 6.786 1.00 0.00 H new ATOM 0 HA GLN A 75 13.077 10.082 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.876 7.364 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.512 7.869 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.572 8.340 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.303 7.132 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.693 5.712 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.988 4.830 8.420 1.00 0.00 H new ATOM 1091 N SER A 76 12.109 11.121 4.365 1.00 0.00 N ATOM 1092 CA SER A 76 11.765 11.642 3.047 1.00 0.00 C ATOM 1093 C SER A 76 12.180 10.666 1.951 1.00 0.00 C ATOM 1094 O SER A 76 13.346 10.279 1.857 1.00 0.00 O ATOM 1095 CB SER A 76 12.438 12.998 2.820 1.00 0.00 C ATOM 1096 OG SER A 76 11.786 13.725 1.794 1.00 0.00 O ATOM 0 H SER A 76 12.565 11.795 4.979 1.00 0.00 H new ATOM 0 HA SER A 76 10.683 11.769 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.422 13.575 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.485 12.848 2.555 1.00 0.00 H new ATOM 0 HG SER A 76 12.234 14.588 1.669 1.00 0.00 H new ATOM 1102 N LEU A 77 11.219 10.271 1.124 1.00 0.00 N ATOM 1103 CA LEU A 77 11.483 9.339 0.033 1.00 0.00 C ATOM 1104 C LEU A 77 12.079 10.063 -1.169 1.00 0.00 C ATOM 1105 O LEU A 77 12.315 9.460 -2.217 1.00 0.00 O ATOM 1106 CB LEU A 77 10.194 8.623 -0.376 1.00 0.00 C ATOM 1107 CG LEU A 77 9.290 8.162 0.769 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.178 7.268 0.243 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.103 7.438 1.832 1.00 0.00 C ATOM 0 H LEU A 77 10.249 10.581 1.188 1.00 0.00 H new ATOM 0 HA LEU A 77 12.205 8.602 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.620 9.290 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.460 7.752 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 77 8.836 9.041 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.545 6.949 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.579 7.820 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.613 6.392 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.444 7.117 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.586 6.567 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.863 8.111 2.230 1.00 0.00 H new ATOM 1121 N LEU A 78 12.322 11.360 -1.012 1.00 0.00 N ATOM 1122 CA LEU A 78 12.893 12.167 -2.084 1.00 0.00 C ATOM 1123 C LEU A 78 14.399 11.946 -2.189 1.00 0.00 C ATOM 1124 O LEU A 78 15.136 12.151 -1.225 1.00 0.00 O ATOM 1125 CB LEU A 78 12.600 13.649 -1.845 1.00 0.00 C ATOM 1126 CG LEU A 78 11.366 14.212 -2.552 1.00 0.00 C ATOM 1127 CD1 LEU A 78 11.759 14.873 -3.864 1.00 0.00 C ATOM 1128 CD2 LEU A 78 10.342 13.113 -2.792 1.00 0.00 C ATOM 0 H LEU A 78 12.132 11.875 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 78 12.432 11.858 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.484 13.807 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.469 14.226 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 78 10.914 14.967 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.869 15.268 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.456 15.687 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.234 14.138 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.471 13.531 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.783 12.335 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.038 12.684 -1.837 1.00 0.00 H new ATOM 1140 N GLY A 79 14.849 11.527 -3.368 1.00 0.00 N ATOM 1141 CA GLY A 79 16.265 11.287 -3.578 1.00 0.00 C ATOM 1142 C GLY A 79 16.581 9.818 -3.775 1.00 0.00 C ATOM 1143 O GLY A 79 17.514 9.467 -4.499 1.00 0.00 O ATOM 0 H GLY A 79 14.259 11.350 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.600 11.848 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.825 11.664 -2.722 1.00 0.00 H new ATOM 1147 N LEU A 80 15.803 8.956 -3.129 1.00 0.00 N ATOM 1148 CA LEU A 80 16.006 7.515 -3.235 1.00 0.00 C ATOM 1149 C LEU A 80 15.202 6.936 -4.395 1.00 0.00 C ATOM 1150 O LEU A 80 14.250 7.552 -4.875 1.00 0.00 O ATOM 1151 CB LEU A 80 15.606 6.826 -1.929 1.00 0.00 C ATOM 1152 CG LEU A 80 14.383 7.402 -1.214 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.701 6.331 -0.377 1.00 0.00 C ATOM 1154 CD2 LEU A 80 14.781 8.587 -0.347 1.00 0.00 C ATOM 0 H LEU A 80 15.026 9.230 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 80 17.064 7.335 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.416 5.774 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.454 6.866 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 80 13.676 7.750 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.833 6.759 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.380 5.514 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.400 5.952 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.898 8.984 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.507 8.264 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.223 9.363 -0.972 1.00 0.00 H new ATOM 1166 N THR A 81 15.591 5.746 -4.842 1.00 0.00 N ATOM 1167 CA THR A 81 14.907 5.083 -5.945 1.00 0.00 C ATOM 1168 C THR A 81 13.900 4.060 -5.432 1.00 0.00 C ATOM 1169 O THR A 81 13.974 3.623 -4.283 1.00 0.00 O ATOM 1170 CB THR A 81 15.905 4.377 -6.883 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.861 3.639 -6.114 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.626 5.387 -7.764 1.00 0.00 C ATOM 0 H THR A 81 16.377 5.222 -4.457 1.00 0.00 H new ATOM 0 HA THR A 81 14.382 5.859 -6.502 1.00 0.00 H new ATOM 0 HB THR A 81 15.348 3.693 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.491 3.192 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.325 4.866 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.898 5.927 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.172 6.092 -7.137 1.00 0.00 H new ATOM 1180 N HIS A 82 12.959 3.680 -6.291 1.00 0.00 N ATOM 1181 CA HIS A 82 11.937 2.706 -5.924 1.00 0.00 C ATOM 1182 C HIS A 82 12.499 1.665 -4.961 1.00 0.00 C ATOM 1183 O HIS A 82 11.992 1.490 -3.855 1.00 0.00 O ATOM 1184 CB HIS A 82 11.386 2.018 -7.174 1.00 0.00 C ATOM 1185 CG HIS A 82 9.972 1.548 -7.025 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.569 0.266 -7.332 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.864 2.197 -6.596 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.274 0.147 -7.100 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.822 1.304 -6.653 1.00 0.00 N ATOM 0 H HIS A 82 12.883 4.032 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 82 11.127 3.237 -5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.444 2.710 -8.015 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.020 1.166 -7.419 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.176 -0.475 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.810 3.225 -6.270 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.685 -0.746 -7.251 1.00 0.00 H new ATOM 1198 N GLY A 83 13.551 0.975 -5.392 1.00 0.00 N ATOM 1199 CA GLY A 83 14.164 -0.041 -4.556 1.00 0.00 C ATOM 1200 C GLY A 83 14.509 0.476 -3.174 1.00 0.00 C ATOM 1201 O GLY A 83 14.264 -0.198 -2.174 1.00 0.00 O ATOM 0 H GLY A 83 13.989 1.101 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.486 -0.889 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.069 -0.408 -5.040 1.00 0.00 H new ATOM 1205 N GLU A 84 15.081 1.674 -3.117 1.00 0.00 N ATOM 1206 CA GLU A 84 15.463 2.279 -1.847 1.00 0.00 C ATOM 1207 C GLU A 84 14.229 2.622 -1.015 1.00 0.00 C ATOM 1208 O GLU A 84 14.163 2.311 0.173 1.00 0.00 O ATOM 1209 CB GLU A 84 16.296 3.540 -2.086 1.00 0.00 C ATOM 1210 CG GLU A 84 17.776 3.261 -2.288 1.00 0.00 C ATOM 1211 CD GLU A 84 18.609 4.528 -2.322 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.852 5.106 -1.242 1.00 0.00 O ATOM 1213 OE2 GLU A 84 19.016 4.941 -3.428 1.00 0.00 O ATOM 0 H GLU A 84 15.290 2.245 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 84 16.063 1.555 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.910 4.060 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.174 4.213 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.134 2.617 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.915 2.714 -3.221 1.00 0.00 H new ATOM 1220 N ALA A 85 13.255 3.265 -1.650 1.00 0.00 N ATOM 1221 CA ALA A 85 12.024 3.649 -0.971 1.00 0.00 C ATOM 1222 C ALA A 85 11.308 2.429 -0.402 1.00 0.00 C ATOM 1223 O ALA A 85 11.021 2.367 0.794 1.00 0.00 O ATOM 1224 CB ALA A 85 11.109 4.403 -1.924 1.00 0.00 C ATOM 0 H ALA A 85 13.295 3.531 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 85 12.285 4.305 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.193 4.684 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.614 5.301 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.863 3.765 -2.773 1.00 0.00 H new ATOM 1230 N VAL A 86 11.021 1.460 -1.265 1.00 0.00 N ATOM 1231 CA VAL A 86 10.338 0.241 -0.848 1.00 0.00 C ATOM 1232 C VAL A 86 10.910 -0.287 0.463 1.00 0.00 C ATOM 1233 O VAL A 86 10.217 -0.332 1.479 1.00 0.00 O ATOM 1234 CB VAL A 86 10.445 -0.858 -1.922 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.824 -2.154 -1.423 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.785 -0.404 -3.215 1.00 0.00 C ATOM 0 H VAL A 86 11.251 1.495 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 86 9.288 0.498 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 86 11.500 -1.043 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.909 -2.919 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.346 -2.485 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.772 -1.988 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.870 -1.192 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.732 -0.190 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.280 0.496 -3.579 1.00 0.00 H new ATOM 1246 N GLN A 87 12.177 -0.686 0.431 1.00 0.00 N ATOM 1247 CA GLN A 87 12.841 -1.212 1.618 1.00 0.00 C ATOM 1248 C GLN A 87 12.580 -0.321 2.828 1.00 0.00 C ATOM 1249 O GLN A 87 12.634 -0.777 3.971 1.00 0.00 O ATOM 1250 CB GLN A 87 14.347 -1.333 1.374 1.00 0.00 C ATOM 1251 CG GLN A 87 14.705 -2.283 0.243 1.00 0.00 C ATOM 1252 CD GLN A 87 14.174 -3.685 0.467 1.00 0.00 C ATOM 1253 OE1 GLN A 87 13.118 -4.040 -0.255 1.00 0.00 O flip ATOM 1254 NE2 GLN A 87 14.707 -4.440 1.280 1.00 0.00 N flip ATOM 0 H GLN A 87 12.764 -0.655 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 87 12.432 -2.201 1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.751 -0.346 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.829 -1.674 2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.306 -1.893 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.789 -2.322 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.517 -4.125 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.338 -5.381 1.420 1.00 0.00 H new ATOM 1263 N LEU A 88 12.297 0.951 2.570 1.00 0.00 N ATOM 1264 CA LEU A 88 12.028 1.907 3.638 1.00 0.00 C ATOM 1265 C LEU A 88 10.630 1.701 4.213 1.00 0.00 C ATOM 1266 O LEU A 88 10.406 1.887 5.410 1.00 0.00 O ATOM 1267 CB LEU A 88 12.171 3.338 3.117 1.00 0.00 C ATOM 1268 CG LEU A 88 12.642 4.378 4.134 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.863 5.723 3.458 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.636 4.509 5.268 1.00 0.00 C ATOM 0 H LEU A 88 12.248 1.344 1.630 1.00 0.00 H new ATOM 0 HA LEU A 88 12.756 1.742 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.872 3.331 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.207 3.657 2.721 1.00 0.00 H new ATOM 0 HG LEU A 88 13.591 4.044 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.198 6.451 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.621 5.620 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.929 6.063 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.988 5.253 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.672 4.820 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.527 3.548 5.770 1.00 0.00 H new ATOM 1282 N LEU A 89 9.694 1.314 3.355 1.00 0.00 N ATOM 1283 CA LEU A 89 8.318 1.079 3.777 1.00 0.00 C ATOM 1284 C LEU A 89 8.191 -0.255 4.506 1.00 0.00 C ATOM 1285 O LEU A 89 7.332 -0.422 5.372 1.00 0.00 O ATOM 1286 CB LEU A 89 7.380 1.104 2.569 1.00 0.00 C ATOM 1287 CG LEU A 89 7.144 -0.238 1.875 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.172 -1.089 2.677 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.626 -0.023 0.460 1.00 0.00 C ATOM 0 H LEU A 89 9.863 1.156 2.362 1.00 0.00 H new ATOM 0 HA LEU A 89 8.035 1.876 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.416 1.498 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.782 1.804 1.836 1.00 0.00 H new ATOM 0 HG LEU A 89 8.095 -0.767 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.016 -2.040 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.582 -1.272 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.220 -0.566 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.464 -0.989 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.685 0.527 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.357 0.547 -0.112 1.00 0.00 H new ATOM 1301 N ARG A 90 9.054 -1.201 4.150 1.00 0.00 N ATOM 1302 CA ARG A 90 9.039 -2.520 4.771 1.00 0.00 C ATOM 1303 C ARG A 90 10.017 -2.582 5.941 1.00 0.00 C ATOM 1304 O ARG A 90 10.211 -3.636 6.546 1.00 0.00 O ATOM 1305 CB ARG A 90 9.392 -3.595 3.741 1.00 0.00 C ATOM 1306 CG ARG A 90 10.676 -3.311 2.978 1.00 0.00 C ATOM 1307 CD ARG A 90 11.234 -4.572 2.338 1.00 0.00 C ATOM 1308 NE ARG A 90 11.657 -5.551 3.335 1.00 0.00 N ATOM 1309 CZ ARG A 90 12.033 -6.790 3.036 1.00 0.00 C ATOM 1310 NH1 ARG A 90 12.038 -7.198 1.775 1.00 0.00 N ATOM 1311 NH2 ARG A 90 12.404 -7.623 4.000 1.00 0.00 N ATOM 0 H ARG A 90 9.772 -1.079 3.436 1.00 0.00 H new ATOM 0 HA ARG A 90 8.034 -2.704 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.486 -4.555 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.571 -3.689 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.485 -2.564 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.417 -2.887 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.477 -5.016 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.081 -4.312 1.703 1.00 0.00 H new ATOM 0 HE ARG A 90 11.664 -5.268 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.753 -6.560 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.327 -8.149 1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.401 -7.312 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.692 -8.574 3.769 1.00 0.00 H new ATOM 1325 N SER A 91 10.629 -1.444 6.254 1.00 0.00 N ATOM 1326 CA SER A 91 11.590 -1.369 7.349 1.00 0.00 C ATOM 1327 C SER A 91 10.920 -0.872 8.626 1.00 0.00 C ATOM 1328 O SER A 91 11.555 -0.235 9.466 1.00 0.00 O ATOM 1329 CB SER A 91 12.750 -0.445 6.975 1.00 0.00 C ATOM 1330 OG SER A 91 13.686 -0.347 8.034 1.00 0.00 O ATOM 0 H SER A 91 10.477 -0.562 5.765 1.00 0.00 H new ATOM 0 HA SER A 91 11.978 -2.372 7.529 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.246 -0.823 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.366 0.546 6.732 1.00 0.00 H new ATOM 0 HG SER A 91 13.211 -0.194 8.877 1.00 0.00 H new ATOM 1336 N VAL A 92 9.631 -1.167 8.765 1.00 0.00 N ATOM 1337 CA VAL A 92 8.874 -0.752 9.939 1.00 0.00 C ATOM 1338 C VAL A 92 8.844 -1.854 10.992 1.00 0.00 C ATOM 1339 O VAL A 92 8.902 -3.039 10.667 1.00 0.00 O ATOM 1340 CB VAL A 92 7.428 -0.371 9.569 1.00 0.00 C ATOM 1341 CG1 VAL A 92 6.742 0.320 10.737 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.411 0.513 8.331 1.00 0.00 C ATOM 0 H VAL A 92 9.090 -1.692 8.078 1.00 0.00 H new ATOM 0 HA VAL A 92 9.379 0.123 10.348 1.00 0.00 H new ATOM 0 HB VAL A 92 6.876 -1.284 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.722 0.582 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.722 -0.351 11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.290 1.225 10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.382 0.773 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.978 1.423 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.861 -0.023 7.495 1.00 0.00 H new ATOM 1352 N GLY A 93 8.751 -1.455 12.257 1.00 0.00 N ATOM 1353 CA GLY A 93 8.714 -2.421 13.339 1.00 0.00 C ATOM 1354 C GLY A 93 7.300 -2.788 13.741 1.00 0.00 C ATOM 1355 O GLY A 93 6.816 -3.872 13.416 1.00 0.00 O ATOM 0 H GLY A 93 8.701 -0.480 12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.248 -3.322 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.240 -2.015 14.203 1.00 0.00 H new ATOM 1359 N ASP A 94 6.635 -1.883 14.451 1.00 0.00 N ATOM 1360 CA ASP A 94 5.267 -2.117 14.899 1.00 0.00 C ATOM 1361 C ASP A 94 4.328 -1.042 14.361 1.00 0.00 C ATOM 1362 O ASP A 94 3.129 -1.273 14.200 1.00 0.00 O ATOM 1363 CB ASP A 94 5.206 -2.145 16.427 1.00 0.00 C ATOM 1364 CG ASP A 94 6.067 -1.070 17.061 1.00 0.00 C ATOM 1365 OD1 ASP A 94 5.907 0.112 16.693 1.00 0.00 O ATOM 1366 OD2 ASP A 94 6.902 -1.411 17.926 1.00 0.00 O ATOM 0 H ASP A 94 7.021 -0.981 14.729 1.00 0.00 H new ATOM 0 HA ASP A 94 4.945 -3.084 14.512 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.173 -2.015 16.749 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.530 -3.123 16.783 1.00 0.00 H new ATOM 1371 N THR A 95 4.880 0.135 14.083 1.00 0.00 N ATOM 1372 CA THR A 95 4.092 1.246 13.565 1.00 0.00 C ATOM 1373 C THR A 95 4.966 2.226 12.791 1.00 0.00 C ATOM 1374 O THR A 95 6.084 2.538 13.205 1.00 0.00 O ATOM 1375 CB THR A 95 3.373 2.002 14.698 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.614 1.084 15.494 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.453 3.074 14.135 1.00 0.00 C ATOM 0 H THR A 95 5.871 0.343 14.208 1.00 0.00 H new ATOM 0 HA THR A 95 3.347 0.819 12.894 1.00 0.00 H new ATOM 0 HB THR A 95 4.128 2.484 15.320 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.428 1.485 16.368 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.956 3.594 14.954 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.038 3.787 13.554 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.704 2.610 13.493 1.00 0.00 H new ATOM 1385 N LEU A 96 4.451 2.710 11.666 1.00 0.00 N ATOM 1386 CA LEU A 96 5.185 3.657 10.834 1.00 0.00 C ATOM 1387 C LEU A 96 4.419 4.968 10.695 1.00 0.00 C ATOM 1388 O LEU A 96 3.229 5.041 11.006 1.00 0.00 O ATOM 1389 CB LEU A 96 5.445 3.056 9.451 1.00 0.00 C ATOM 1390 CG LEU A 96 4.407 3.374 8.375 1.00 0.00 C ATOM 1391 CD1 LEU A 96 4.947 3.034 6.995 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.112 2.621 8.644 1.00 0.00 C ATOM 0 H LEU A 96 3.528 2.462 11.309 1.00 0.00 H new ATOM 0 HA LEU A 96 6.139 3.865 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.418 3.404 9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.512 1.973 9.554 1.00 0.00 H new ATOM 0 HG LEU A 96 4.195 4.443 8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.194 3.267 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.846 3.619 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.188 1.972 6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.385 2.859 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.307 1.549 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.715 2.915 9.616 1.00 0.00 H new ATOM 1404 N THR A 97 5.107 6.004 10.224 1.00 0.00 N ATOM 1405 CA THR A 97 4.492 7.312 10.043 1.00 0.00 C ATOM 1406 C THR A 97 4.478 7.714 8.573 1.00 0.00 C ATOM 1407 O THR A 97 5.464 8.237 8.053 1.00 0.00 O ATOM 1408 CB THR A 97 5.227 8.396 10.853 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.610 7.876 12.131 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.346 9.622 11.042 1.00 0.00 C ATOM 0 H THR A 97 6.092 5.961 9.961 1.00 0.00 H new ATOM 0 HA THR A 97 3.467 7.232 10.405 1.00 0.00 H new ATOM 0 HB THR A 97 6.118 8.691 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.078 8.570 12.640 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.887 10.374 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.080 10.032 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.439 9.339 11.577 1.00 0.00 H new ATOM 1418 N VAL A 98 3.354 7.469 7.907 1.00 0.00 N ATOM 1419 CA VAL A 98 3.212 7.807 6.496 1.00 0.00 C ATOM 1420 C VAL A 98 2.478 9.132 6.320 1.00 0.00 C ATOM 1421 O VAL A 98 1.406 9.341 6.890 1.00 0.00 O ATOM 1422 CB VAL A 98 2.455 6.707 5.728 1.00 0.00 C ATOM 1423 CG1 VAL A 98 2.989 5.333 6.100 1.00 0.00 C ATOM 1424 CG2 VAL A 98 0.961 6.800 6.001 1.00 0.00 C ATOM 0 H VAL A 98 2.528 7.038 8.322 1.00 0.00 H new ATOM 0 HA VAL A 98 4.219 7.896 6.089 1.00 0.00 H new ATOM 0 HB VAL A 98 2.616 6.856 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.442 4.568 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.048 5.274 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.860 5.170 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.441 6.016 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.778 6.677 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.592 7.774 5.680 1.00 0.00 H new ATOM 1434 N LEU A 99 3.062 10.024 5.527 1.00 0.00 N ATOM 1435 CA LEU A 99 2.463 11.330 5.275 1.00 0.00 C ATOM 1436 C LEU A 99 1.661 11.320 3.977 1.00 0.00 C ATOM 1437 O LEU A 99 1.389 12.370 3.394 1.00 0.00 O ATOM 1438 CB LEU A 99 3.548 12.406 5.209 1.00 0.00 C ATOM 1439 CG LEU A 99 3.059 13.855 5.234 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.234 14.118 6.484 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.236 14.817 5.158 1.00 0.00 C ATOM 0 H LEU A 99 3.949 9.867 5.048 1.00 0.00 H new ATOM 0 HA LEU A 99 1.785 11.556 6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.229 12.259 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.127 12.255 4.298 1.00 0.00 H new ATOM 0 HG LEU A 99 2.425 14.019 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.895 15.154 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.370 13.453 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.845 13.936 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.869 15.843 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.896 14.652 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.787 14.646 4.233 1.00 0.00 H new ATOM 1453 N VAL A 100 1.283 10.127 3.530 1.00 0.00 N ATOM 1454 CA VAL A 100 0.510 9.979 2.303 1.00 0.00 C ATOM 1455 C VAL A 100 -0.683 10.929 2.289 1.00 0.00 C ATOM 1456 O VAL A 100 -0.922 11.656 3.253 1.00 0.00 O ATOM 1457 CB VAL A 100 0.004 8.535 2.128 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.171 7.559 2.111 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.983 8.179 3.229 1.00 0.00 C ATOM 0 H VAL A 100 1.500 9.248 4.000 1.00 0.00 H new ATOM 0 HA VAL A 100 1.177 10.224 1.477 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.513 8.463 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.794 6.544 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.837 7.803 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.719 7.630 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.330 7.155 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.494 8.267 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.834 8.859 3.189 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.429 10.916 1.189 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.598 11.776 1.049 1.00 0.00 C ATOM 1471 C CYS A 101 -3.334 11.484 -0.255 1.00 0.00 C ATOM 1472 O CYS A 101 -2.784 10.864 -1.165 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.183 13.247 1.096 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.682 13.925 -0.504 1.00 0.00 S ATOM 0 H CYS A 101 -1.245 10.320 0.382 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.272 11.570 1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.014 13.836 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.358 13.358 1.800 1.00 0.00 H new ATOM 0 HG CYS A 101 -2.663 13.812 -1.350 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.581 11.935 -0.338 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.394 11.721 -1.530 1.00 0.00 C ATOM 1482 C ASP A 102 -4.736 12.348 -2.755 1.00 0.00 C ATOM 1483 O ASP A 102 -4.523 13.559 -2.807 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.793 12.307 -1.331 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.408 12.789 -2.630 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -7.461 11.995 -3.593 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.839 13.960 -2.684 1.00 0.00 O ATOM 0 H ASP A 102 -5.051 12.451 0.406 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.479 10.647 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.440 11.552 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.739 13.138 -0.627 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.414 11.515 -3.740 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.782 12.005 -4.951 1.00 0.00 C ATOM 1494 C GLY A 103 -4.727 12.011 -6.136 1.00 0.00 C ATOM 1495 O GLY A 103 -4.700 12.928 -6.957 1.00 0.00 O ATOM 0 H GLY A 103 -4.580 10.509 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.412 13.016 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.917 11.383 -5.183 1.00 0.00 H new