USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 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 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 97 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 14 CYS SG : rot 24:sc= 0.0102 USER MOD Set 2.2: A 16 GLN : amide:sc= 0 X(o=0.01,f=0.0099) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -4.9! (180deg=-10.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 10:sc= 0.389! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.11 USER MOD Single : A 54 THR OG1 : rot 22:sc= 0.325! USER MOD Single : A 73 ASN : amide:sc= -6.15! C(o=-6.2!,f=-6.4!) USER MOD Single : A 75 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 87 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.1!) USER MOD Single : A 91 SER OG : rot -42:sc= 0.819 USER MOD Single : A 95 THR OG1 : rot -21:sc= -0.317! USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.667 15.059 4.826 1.00 0.00 N ATOM 81 CA GLY A 9 -5.096 13.905 4.155 1.00 0.00 C ATOM 82 C GLY A 9 -3.587 13.989 4.042 1.00 0.00 C ATOM 83 O GLY A 9 -2.903 12.965 3.988 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.367 13.001 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.528 13.818 3.158 1.00 0.00 H new ATOM 87 N LEU A 10 -3.065 15.210 4.004 1.00 0.00 N ATOM 88 CA LEU A 10 -1.626 15.423 3.895 1.00 0.00 C ATOM 89 C LEU A 10 -0.999 15.623 5.271 1.00 0.00 C ATOM 90 O LEU A 10 0.025 16.293 5.406 1.00 0.00 O ATOM 91 CB LEU A 10 -1.336 16.636 3.009 1.00 0.00 C ATOM 92 CG LEU A 10 -2.120 17.908 3.335 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.488 17.877 2.672 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.260 18.077 4.841 1.00 0.00 C ATOM 0 H LEU A 10 -3.616 16.067 4.047 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.186 14.535 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.272 16.862 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.541 16.362 1.974 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.568 18.762 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.031 18.790 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.367 17.804 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.048 17.015 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.820 18.987 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.789 17.219 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.271 18.146 5.293 1.00 0.00 H new ATOM 106 N ARG A 11 -1.619 15.035 6.289 1.00 0.00 N ATOM 107 CA ARG A 11 -1.121 15.148 7.655 1.00 0.00 C ATOM 108 C ARG A 11 -0.301 13.920 8.038 1.00 0.00 C ATOM 109 O ARG A 11 -0.260 12.935 7.300 1.00 0.00 O ATOM 110 CB ARG A 11 -2.286 15.322 8.632 1.00 0.00 C ATOM 111 CG ARG A 11 -3.319 16.337 8.173 1.00 0.00 C ATOM 112 CD ARG A 11 -2.964 17.742 8.635 1.00 0.00 C ATOM 113 NE ARG A 11 -1.816 18.282 7.912 1.00 0.00 N ATOM 114 CZ ARG A 11 -1.311 19.491 8.131 1.00 0.00 C ATOM 115 NH1 ARG A 11 -1.850 20.281 9.050 1.00 0.00 N ATOM 116 NH2 ARG A 11 -0.265 19.912 7.432 1.00 0.00 N ATOM 0 H ARG A 11 -2.467 14.476 6.194 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.476 16.025 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.775 14.359 8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.893 15.629 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.391 16.318 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.299 16.062 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.823 18.398 8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.746 17.728 9.703 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.378 17.699 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.654 19.961 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.461 21.209 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.153 19.307 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.121 20.841 7.602 1.00 0.00 H new ATOM 130 N GLU A 12 0.351 13.986 9.194 1.00 0.00 N ATOM 131 CA GLU A 12 1.171 12.880 9.673 1.00 0.00 C ATOM 132 C GLU A 12 0.298 11.736 10.183 1.00 0.00 C ATOM 133 O GLU A 12 -0.332 11.843 11.236 1.00 0.00 O ATOM 134 CB GLU A 12 2.108 13.355 10.785 1.00 0.00 C ATOM 135 CG GLU A 12 3.209 12.361 11.119 1.00 0.00 C ATOM 136 CD GLU A 12 4.114 12.847 12.234 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.603 13.490 13.175 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.333 12.584 12.167 1.00 0.00 O ATOM 0 H GLU A 12 0.327 14.794 9.816 1.00 0.00 H new ATOM 0 HA GLU A 12 1.767 12.515 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.562 14.300 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.522 13.551 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.760 11.411 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.806 12.173 10.227 1.00 0.00 H new ATOM 145 N LEU A 13 0.264 10.644 9.428 1.00 0.00 N ATOM 146 CA LEU A 13 -0.532 9.480 9.802 1.00 0.00 C ATOM 147 C LEU A 13 0.364 8.292 10.136 1.00 0.00 C ATOM 148 O LEU A 13 1.517 8.232 9.707 1.00 0.00 O ATOM 149 CB LEU A 13 -1.490 9.107 8.669 1.00 0.00 C ATOM 150 CG LEU A 13 -2.693 10.031 8.476 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.508 9.601 7.266 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.559 10.047 9.727 1.00 0.00 C ATOM 0 H LEU A 13 0.778 10.540 8.553 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.110 9.737 10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.925 9.079 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.858 8.097 8.849 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.326 11.042 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.360 10.270 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.884 9.643 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.865 8.582 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.410 10.710 9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.917 9.039 9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.971 10.404 10.572 1.00 0.00 H new ATOM 164 N CYS A 14 -0.173 7.349 10.902 1.00 0.00 N ATOM 165 CA CYS A 14 0.578 6.161 11.293 1.00 0.00 C ATOM 166 C CYS A 14 -0.293 4.912 11.199 1.00 0.00 C ATOM 167 O CYS A 14 -1.506 4.973 11.400 1.00 0.00 O ATOM 168 CB CYS A 14 1.115 6.318 12.716 1.00 0.00 C ATOM 169 SG CYS A 14 -0.172 6.449 13.980 1.00 0.00 S ATOM 0 H CYS A 14 -1.126 7.384 11.265 1.00 0.00 H new ATOM 0 HA CYS A 14 1.417 6.049 10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.752 5.465 12.949 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.744 7.207 12.760 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.264 5.891 13.547 1.00 0.00 H new ATOM 175 N ILE A 15 0.335 3.782 10.891 1.00 0.00 N ATOM 176 CA ILE A 15 -0.383 2.520 10.769 1.00 0.00 C ATOM 177 C ILE A 15 0.043 1.538 11.856 1.00 0.00 C ATOM 178 O ILE A 15 1.052 0.847 11.719 1.00 0.00 O ATOM 179 CB ILE A 15 -0.155 1.872 9.391 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.640 2.805 8.279 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.866 0.530 9.311 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.552 2.195 6.897 1.00 0.00 C ATOM 0 H ILE A 15 1.339 3.715 10.722 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.443 2.749 10.883 1.00 0.00 H new ATOM 0 HB ILE A 15 0.914 1.702 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.674 3.087 8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.050 3.721 8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.695 0.085 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.478 -0.134 10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.936 0.675 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.912 2.912 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.484 1.938 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.165 1.295 6.857 1.00 0.00 H new ATOM 194 N GLN A 16 -0.733 1.483 12.933 1.00 0.00 N ATOM 195 CA GLN A 16 -0.436 0.585 14.043 1.00 0.00 C ATOM 196 C GLN A 16 -0.646 -0.870 13.637 1.00 0.00 C ATOM 197 O GLN A 16 -1.771 -1.299 13.382 1.00 0.00 O ATOM 198 CB GLN A 16 -1.314 0.922 15.249 1.00 0.00 C ATOM 199 CG GLN A 16 -0.667 1.896 16.220 1.00 0.00 C ATOM 200 CD GLN A 16 -1.682 2.751 16.953 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.474 2.247 17.750 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.664 4.052 16.687 1.00 0.00 N ATOM 0 H GLN A 16 -1.572 2.049 13.061 1.00 0.00 H new ATOM 0 HA GLN A 16 0.611 0.720 14.316 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.255 1.345 14.896 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.557 0.001 15.779 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.075 1.339 16.946 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.021 2.542 15.676 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.990 4.427 16.019 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.324 4.676 17.150 1.00 0.00 H new ATOM 211 N LYS A 17 0.446 -1.626 13.579 1.00 0.00 N ATOM 212 CA LYS A 17 0.383 -3.034 13.205 1.00 0.00 C ATOM 213 C LYS A 17 1.021 -3.911 14.277 1.00 0.00 C ATOM 214 O LYS A 17 1.623 -3.408 15.225 1.00 0.00 O ATOM 215 CB LYS A 17 1.084 -3.258 11.863 1.00 0.00 C ATOM 216 CG LYS A 17 2.559 -3.595 11.996 1.00 0.00 C ATOM 217 CD LYS A 17 3.319 -3.289 10.717 1.00 0.00 C ATOM 218 CE LYS A 17 3.597 -1.801 10.576 1.00 0.00 C ATOM 219 NZ LYS A 17 2.417 -1.064 10.043 1.00 0.00 N ATOM 0 H LYS A 17 1.385 -1.287 13.786 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.667 -3.313 13.111 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.582 -4.066 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.978 -2.361 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.990 -3.027 12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.671 -4.651 12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.261 -3.838 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.743 -3.635 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.874 -1.390 11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.449 -1.652 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.728 -0.391 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.745 -1.739 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.952 -0.547 10.816 1.00 0.00 H new ATOM 233 N ALA A 18 0.887 -5.223 14.118 1.00 0.00 N ATOM 234 CA ALA A 18 1.454 -6.170 15.071 1.00 0.00 C ATOM 235 C ALA A 18 2.970 -6.024 15.154 1.00 0.00 C ATOM 236 O ALA A 18 3.606 -5.412 14.296 1.00 0.00 O ATOM 237 CB ALA A 18 1.079 -7.594 14.688 1.00 0.00 C ATOM 0 H ALA A 18 0.391 -5.655 13.338 1.00 0.00 H new ATOM 0 HA ALA A 18 1.039 -5.949 16.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.509 -8.290 15.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.006 -7.697 14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.465 -7.817 13.693 1.00 0.00 H new ATOM 243 N PRO A 19 3.563 -6.598 16.211 1.00 0.00 N ATOM 244 CA PRO A 19 5.012 -6.545 16.431 1.00 0.00 C ATOM 245 C PRO A 19 5.783 -7.385 15.418 1.00 0.00 C ATOM 246 O PRO A 19 7.007 -7.486 15.485 1.00 0.00 O ATOM 247 CB PRO A 19 5.178 -7.120 17.839 1.00 0.00 C ATOM 248 CG PRO A 19 3.987 -7.994 18.035 1.00 0.00 C ATOM 249 CD PRO A 19 2.866 -7.343 17.273 1.00 0.00 C ATOM 0 HA PRO A 19 5.405 -5.534 16.320 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.104 -7.688 17.928 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.216 -6.329 18.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.177 -9.001 17.665 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.739 -8.084 19.093 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.178 -8.081 16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.279 -6.681 17.909 1.00 0.00 H new ATOM 257 N GLY A 20 5.057 -7.985 14.479 1.00 0.00 N ATOM 258 CA GLY A 20 5.691 -8.808 13.466 1.00 0.00 C ATOM 259 C GLY A 20 4.814 -9.002 12.245 1.00 0.00 C ATOM 260 O GLY A 20 4.959 -9.985 11.519 1.00 0.00 O ATOM 0 H GLY A 20 4.042 -7.916 14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.632 -8.347 13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.935 -9.781 13.893 1.00 0.00 H new ATOM 264 N GLU A 21 3.900 -8.063 12.019 1.00 0.00 N ATOM 265 CA GLU A 21 2.995 -8.137 10.878 1.00 0.00 C ATOM 266 C GLU A 21 3.535 -7.329 9.702 1.00 0.00 C ATOM 267 O GLU A 21 3.945 -6.179 9.860 1.00 0.00 O ATOM 268 CB GLU A 21 1.606 -7.626 11.267 1.00 0.00 C ATOM 269 CG GLU A 21 0.557 -7.833 10.188 1.00 0.00 C ATOM 270 CD GLU A 21 0.495 -9.269 9.703 1.00 0.00 C ATOM 271 OE1 GLU A 21 -0.261 -10.065 10.298 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.203 -9.596 8.727 1.00 0.00 O ATOM 0 H GLU A 21 3.767 -7.243 12.611 1.00 0.00 H new ATOM 0 HA GLU A 21 2.919 -9.181 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.284 -8.132 12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.671 -6.563 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.419 -7.542 10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.774 -7.178 9.345 1.00 0.00 H new ATOM 279 N ARG A 22 3.532 -7.940 8.521 1.00 0.00 N ATOM 280 CA ARG A 22 4.023 -7.279 7.318 1.00 0.00 C ATOM 281 C ARG A 22 2.949 -6.378 6.716 1.00 0.00 C ATOM 282 O ARG A 22 1.880 -6.846 6.321 1.00 0.00 O ATOM 283 CB ARG A 22 4.470 -8.317 6.287 1.00 0.00 C ATOM 284 CG ARG A 22 5.813 -8.953 6.604 1.00 0.00 C ATOM 285 CD ARG A 22 6.057 -10.193 5.759 1.00 0.00 C ATOM 286 NE ARG A 22 7.481 -10.458 5.574 1.00 0.00 N ATOM 287 CZ ARG A 22 7.953 -11.494 4.889 1.00 0.00 C ATOM 288 NH1 ARG A 22 7.118 -12.357 4.327 1.00 0.00 N ATOM 289 NH2 ARG A 22 9.262 -11.668 4.765 1.00 0.00 N ATOM 0 H ARG A 22 3.195 -8.891 8.372 1.00 0.00 H new ATOM 0 HA ARG A 22 4.877 -6.661 7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.714 -9.099 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.525 -7.843 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.609 -8.230 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.850 -9.219 7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.587 -11.054 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.582 -10.068 4.786 1.00 0.00 H new ATOM 0 HE ARG A 22 8.150 -9.812 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.111 -12.226 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.483 -13.151 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.908 -11.006 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.623 -12.464 4.239 1.00 0.00 H new ATOM 303 N LEU A 23 3.240 -5.083 6.649 1.00 0.00 N ATOM 304 CA LEU A 23 2.299 -4.115 6.096 1.00 0.00 C ATOM 305 C LEU A 23 1.493 -4.730 4.957 1.00 0.00 C ATOM 306 O LEU A 23 0.264 -4.668 4.949 1.00 0.00 O ATOM 307 CB LEU A 23 3.046 -2.877 5.597 1.00 0.00 C ATOM 308 CG LEU A 23 2.312 -1.544 5.751 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.862 -1.679 5.314 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.394 -1.053 7.189 1.00 0.00 C ATOM 0 H LEU A 23 4.120 -4.679 6.971 1.00 0.00 H new ATOM 0 HA LEU A 23 1.609 -3.821 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.995 -2.810 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.282 -3.020 4.542 1.00 0.00 H new ATOM 0 HG LEU A 23 2.796 -0.809 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.356 -0.721 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.824 -1.984 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.365 -2.429 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.866 -0.104 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.936 -1.788 7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.439 -0.916 7.468 1.00 0.00 H new ATOM 322 N GLY A 24 2.193 -5.325 3.996 1.00 0.00 N ATOM 323 CA GLY A 24 1.526 -5.944 2.866 1.00 0.00 C ATOM 324 C GLY A 24 1.002 -4.926 1.873 1.00 0.00 C ATOM 325 O GLY A 24 -0.116 -5.054 1.374 1.00 0.00 O ATOM 0 H GLY A 24 3.211 -5.389 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.221 -6.615 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.698 -6.555 3.227 1.00 0.00 H new ATOM 329 N ILE A 25 1.811 -3.911 1.586 1.00 0.00 N ATOM 330 CA ILE A 25 1.422 -2.867 0.646 1.00 0.00 C ATOM 331 C ILE A 25 2.380 -2.809 -0.539 1.00 0.00 C ATOM 332 O ILE A 25 3.429 -3.453 -0.534 1.00 0.00 O ATOM 333 CB ILE A 25 1.380 -1.486 1.326 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.525 -1.353 2.331 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.039 -1.273 2.011 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.016 0.068 2.504 1.00 0.00 C ATOM 0 H ILE A 25 2.739 -3.790 1.991 1.00 0.00 H new ATOM 0 HA ILE A 25 0.423 -3.119 0.290 1.00 0.00 H new ATOM 0 HB ILE A 25 1.501 -0.718 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.196 -1.735 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.356 -1.979 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.025 -0.292 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.760 -1.329 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.111 -2.045 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.828 0.086 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.376 0.447 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.198 0.695 2.858 1.00 0.00 H new ATOM 348 N SER A 26 2.012 -2.032 -1.553 1.00 0.00 N ATOM 349 CA SER A 26 2.838 -1.891 -2.746 1.00 0.00 C ATOM 350 C SER A 26 2.994 -0.422 -3.128 1.00 0.00 C ATOM 351 O SER A 26 2.280 0.442 -2.620 1.00 0.00 O ATOM 352 CB SER A 26 2.224 -2.670 -3.911 1.00 0.00 C ATOM 353 OG SER A 26 3.227 -3.147 -4.791 1.00 0.00 O ATOM 0 H SER A 26 1.148 -1.491 -1.572 1.00 0.00 H new ATOM 0 HA SER A 26 3.825 -2.298 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.645 -3.509 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.532 -2.029 -4.457 1.00 0.00 H new ATOM 0 HG SER A 26 2.809 -3.643 -5.526 1.00 0.00 H new ATOM 359 N ILE A 27 3.935 -0.148 -4.026 1.00 0.00 N ATOM 360 CA ILE A 27 4.185 1.215 -4.477 1.00 0.00 C ATOM 361 C ILE A 27 4.823 1.227 -5.862 1.00 0.00 C ATOM 362 O ILE A 27 5.620 0.350 -6.197 1.00 0.00 O ATOM 363 CB ILE A 27 5.099 1.973 -3.497 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.535 1.455 -3.599 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.579 1.834 -2.073 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.523 2.248 -2.773 1.00 0.00 C ATOM 0 H ILE A 27 4.536 -0.852 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 27 3.218 1.716 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 27 5.095 3.030 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.560 0.413 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.847 1.476 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.235 2.375 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.572 2.247 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.557 0.780 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.520 1.825 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.526 3.286 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.235 2.206 -1.722 1.00 0.00 H new ATOM 378 N ARG A 28 4.470 2.228 -6.662 1.00 0.00 N ATOM 379 CA ARG A 28 5.008 2.355 -8.011 1.00 0.00 C ATOM 380 C ARG A 28 5.673 3.715 -8.205 1.00 0.00 C ATOM 381 O ARG A 28 5.054 4.756 -7.988 1.00 0.00 O ATOM 382 CB ARG A 28 3.898 2.165 -9.046 1.00 0.00 C ATOM 383 CG ARG A 28 2.760 3.163 -8.909 1.00 0.00 C ATOM 384 CD ARG A 28 1.698 2.947 -9.976 1.00 0.00 C ATOM 385 NE ARG A 28 0.399 3.475 -9.569 1.00 0.00 N ATOM 386 CZ ARG A 28 -0.661 3.516 -10.370 1.00 0.00 C ATOM 387 NH1 ARG A 28 -0.575 3.062 -11.613 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.810 4.010 -9.927 1.00 0.00 N ATOM 0 H ARG A 28 3.814 2.963 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 28 5.761 1.579 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.326 2.250 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.497 1.155 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.309 3.069 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.153 4.177 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.011 3.429 -10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.607 1.881 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 28 0.300 3.832 -8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.306 2.680 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.390 3.095 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.880 4.359 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.623 4.041 -10.542 1.00 0.00 H new ATOM 402 N GLY A 29 6.937 3.697 -8.615 1.00 0.00 N ATOM 403 CA GLY A 29 7.665 4.934 -8.831 1.00 0.00 C ATOM 404 C GLY A 29 9.164 4.757 -8.692 1.00 0.00 C ATOM 405 O GLY A 29 9.701 3.692 -8.995 1.00 0.00 O ATOM 0 H GLY A 29 7.470 2.848 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.438 5.316 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.323 5.683 -8.116 1.00 0.00 H new ATOM 409 N GLY A 30 9.842 5.804 -8.233 1.00 0.00 N ATOM 410 CA GLY A 30 11.282 5.740 -8.065 1.00 0.00 C ATOM 411 C GLY A 30 12.008 6.801 -8.868 1.00 0.00 C ATOM 412 O GLY A 30 11.634 7.095 -10.003 1.00 0.00 O ATOM 0 H GLY A 30 9.420 6.696 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.527 5.857 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.636 4.754 -8.367 1.00 0.00 H new ATOM 611 N GLY A 45 7.436 10.351 -9.550 1.00 0.00 N ATOM 612 CA GLY A 45 6.606 10.291 -8.361 1.00 0.00 C ATOM 613 C GLY A 45 6.388 8.870 -7.878 1.00 0.00 C ATOM 614 O GLY A 45 6.272 7.945 -8.682 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.072 10.874 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.641 10.752 -8.571 1.00 0.00 H new ATOM 618 N ILE A 46 6.335 8.697 -6.562 1.00 0.00 N ATOM 619 CA ILE A 46 6.131 7.379 -5.973 1.00 0.00 C ATOM 620 C ILE A 46 4.806 7.312 -5.221 1.00 0.00 C ATOM 621 O ILE A 46 4.583 8.057 -4.267 1.00 0.00 O ATOM 622 CB ILE A 46 7.274 7.009 -5.010 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.617 7.042 -5.742 1.00 0.00 C ATOM 624 CG2 ILE A 46 7.030 5.637 -4.400 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.804 7.209 -4.819 1.00 0.00 C ATOM 0 H ILE A 46 6.430 9.452 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 46 6.116 6.665 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 46 7.303 7.743 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.735 6.119 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.609 7.860 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.847 5.390 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.090 5.646 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.978 4.890 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.722 7.224 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.709 8.146 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.837 6.378 -4.115 1.00 0.00 H new ATOM 637 N PHE A 47 3.929 6.413 -5.657 1.00 0.00 N ATOM 638 CA PHE A 47 2.626 6.247 -5.024 1.00 0.00 C ATOM 639 C PHE A 47 2.325 4.772 -4.776 1.00 0.00 C ATOM 640 O PHE A 47 3.170 3.908 -5.010 1.00 0.00 O ATOM 641 CB PHE A 47 1.530 6.863 -5.897 1.00 0.00 C ATOM 642 CG PHE A 47 1.938 8.152 -6.551 1.00 0.00 C ATOM 643 CD1 PHE A 47 2.997 8.186 -7.444 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.264 9.330 -6.272 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.375 9.371 -8.048 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.637 10.517 -6.873 1.00 0.00 C ATOM 647 CZ PHE A 47 2.695 10.538 -7.761 1.00 0.00 C ATOM 0 H PHE A 47 4.097 5.789 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 47 2.648 6.761 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.246 6.147 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.645 7.039 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.533 7.276 -7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.438 9.320 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.201 9.384 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.102 11.428 -6.649 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.990 11.465 -8.230 1.00 0.00 H new ATOM 657 N ILE A 48 1.116 4.493 -4.302 1.00 0.00 N ATOM 658 CA ILE A 48 0.703 3.123 -4.023 1.00 0.00 C ATOM 659 C ILE A 48 0.044 2.488 -5.242 1.00 0.00 C ATOM 660 O ILE A 48 -0.878 3.055 -5.828 1.00 0.00 O ATOM 661 CB ILE A 48 -0.274 3.061 -2.834 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.320 3.776 -1.619 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.605 1.615 -2.495 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.628 3.857 -0.443 1.00 0.00 C ATOM 0 H ILE A 48 0.405 5.197 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 48 1.606 2.567 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.197 3.568 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.227 3.257 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.614 4.785 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.296 1.588 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.066 1.135 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.310 1.085 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.141 4.376 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.525 4.403 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.902 2.851 -0.127 1.00 0.00 H new ATOM 676 N SER A 49 0.522 1.307 -5.619 1.00 0.00 N ATOM 677 CA SER A 49 -0.019 0.594 -6.770 1.00 0.00 C ATOM 678 C SER A 49 -0.887 -0.579 -6.325 1.00 0.00 C ATOM 679 O SER A 49 -1.622 -1.161 -7.122 1.00 0.00 O ATOM 680 CB SER A 49 1.115 0.093 -7.666 1.00 0.00 C ATOM 681 OG SER A 49 0.696 -1.011 -8.449 1.00 0.00 O ATOM 0 H SER A 49 1.284 0.823 -5.144 1.00 0.00 H new ATOM 0 HA SER A 49 -0.640 1.288 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.450 0.899 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.968 -0.196 -7.052 1.00 0.00 H new ATOM 0 HG SER A 49 -0.275 -1.120 -8.368 1.00 0.00 H new ATOM 687 N LYS A 50 -0.796 -0.921 -5.044 1.00 0.00 N ATOM 688 CA LYS A 50 -1.573 -2.023 -4.489 1.00 0.00 C ATOM 689 C LYS A 50 -1.359 -2.135 -2.983 1.00 0.00 C ATOM 690 O LYS A 50 -0.241 -1.977 -2.491 1.00 0.00 O ATOM 691 CB LYS A 50 -1.187 -3.339 -5.169 1.00 0.00 C ATOM 692 CG LYS A 50 -1.878 -4.555 -4.577 1.00 0.00 C ATOM 693 CD LYS A 50 -1.542 -5.819 -5.350 1.00 0.00 C ATOM 694 CE LYS A 50 -2.218 -5.834 -6.713 1.00 0.00 C ATOM 695 NZ LYS A 50 -1.972 -7.111 -7.439 1.00 0.00 N ATOM 0 H LYS A 50 -0.192 -0.450 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.628 -1.821 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.429 -3.275 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.108 -3.473 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.578 -4.674 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.957 -4.400 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.462 -5.893 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.856 -6.692 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.291 -5.688 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.850 -5.000 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.449 -7.082 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.950 -7.238 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.346 -7.905 -6.881 1.00 0.00 H new ATOM 709 N VAL A 51 -2.437 -2.410 -2.255 1.00 0.00 N ATOM 710 CA VAL A 51 -2.366 -2.546 -0.805 1.00 0.00 C ATOM 711 C VAL A 51 -3.355 -3.591 -0.303 1.00 0.00 C ATOM 712 O VAL A 51 -4.566 -3.447 -0.472 1.00 0.00 O ATOM 713 CB VAL A 51 -2.650 -1.206 -0.102 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.613 -0.363 -0.925 1.00 0.00 C ATOM 715 CG2 VAL A 51 -3.201 -1.445 1.296 1.00 0.00 C ATOM 0 H VAL A 51 -3.370 -2.543 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.352 -2.865 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.712 -0.658 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.801 0.580 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.176 -0.163 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.552 -0.902 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.396 -0.487 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.129 -2.013 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.473 -2.006 1.883 1.00 0.00 H new ATOM 725 N SER A 52 -2.831 -4.644 0.317 1.00 0.00 N ATOM 726 CA SER A 52 -3.668 -5.716 0.842 1.00 0.00 C ATOM 727 C SER A 52 -4.830 -5.151 1.653 1.00 0.00 C ATOM 728 O SER A 52 -4.664 -4.260 2.486 1.00 0.00 O ATOM 729 CB SER A 52 -2.837 -6.661 1.712 1.00 0.00 C ATOM 730 OG SER A 52 -3.667 -7.564 2.423 1.00 0.00 O ATOM 0 H SER A 52 -1.831 -4.777 0.468 1.00 0.00 H new ATOM 0 HA SER A 52 -4.074 -6.273 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.141 -7.219 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.239 -6.081 2.415 1.00 0.00 H new ATOM 0 HG SER A 52 -3.111 -8.158 2.970 1.00 0.00 H new ATOM 736 N PRO A 53 -6.037 -5.681 1.405 1.00 0.00 N ATOM 737 CA PRO A 53 -7.252 -5.246 2.101 1.00 0.00 C ATOM 738 C PRO A 53 -7.261 -5.665 3.567 1.00 0.00 C ATOM 739 O PRO A 53 -8.040 -5.146 4.367 1.00 0.00 O ATOM 740 CB PRO A 53 -8.372 -5.954 1.335 1.00 0.00 C ATOM 741 CG PRO A 53 -7.723 -7.154 0.736 1.00 0.00 C ATOM 742 CD PRO A 53 -6.309 -6.747 0.426 1.00 0.00 C ATOM 0 HA PRO A 53 -7.347 -4.160 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.189 -6.236 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.795 -5.308 0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.744 -7.996 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.245 -7.471 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.617 -7.582 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.210 -6.387 -0.598 1.00 0.00 H new ATOM 750 N THR A 54 -6.390 -6.607 3.914 1.00 0.00 N ATOM 751 CA THR A 54 -6.298 -7.096 5.284 1.00 0.00 C ATOM 752 C THR A 54 -4.961 -6.721 5.914 1.00 0.00 C ATOM 753 O THR A 54 -4.744 -6.933 7.106 1.00 0.00 O ATOM 754 CB THR A 54 -6.472 -8.625 5.348 1.00 0.00 C ATOM 755 OG1 THR A 54 -5.700 -9.162 6.428 1.00 0.00 O ATOM 756 CG2 THR A 54 -6.043 -9.273 4.040 1.00 0.00 C ATOM 0 H THR A 54 -5.738 -7.047 3.265 1.00 0.00 H new ATOM 0 HA THR A 54 -7.105 -6.622 5.843 1.00 0.00 H new ATOM 0 HB THR A 54 -7.527 -8.842 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.525 -8.458 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.175 -10.353 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.653 -8.884 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.994 -9.047 3.849 1.00 0.00 H new ATOM 764 N GLY A 55 -4.067 -6.162 5.104 1.00 0.00 N ATOM 765 CA GLY A 55 -2.762 -5.766 5.601 1.00 0.00 C ATOM 766 C GLY A 55 -2.848 -4.673 6.648 1.00 0.00 C ATOM 767 O GLY A 55 -3.926 -4.144 6.916 1.00 0.00 O ATOM 0 H GLY A 55 -4.223 -5.976 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.260 -6.635 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.149 -5.420 4.769 1.00 0.00 H new ATOM 771 N ALA A 56 -1.708 -4.334 7.242 1.00 0.00 N ATOM 772 CA ALA A 56 -1.659 -3.297 8.265 1.00 0.00 C ATOM 773 C ALA A 56 -2.302 -2.006 7.770 1.00 0.00 C ATOM 774 O ALA A 56 -2.964 -1.301 8.530 1.00 0.00 O ATOM 775 CB ALA A 56 -0.220 -3.043 8.689 1.00 0.00 C ATOM 0 H ALA A 56 -0.807 -4.763 7.032 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.225 -3.646 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.198 -2.266 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.208 -3.961 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.362 -2.719 7.826 1.00 0.00 H new ATOM 781 N ALA A 57 -2.102 -1.703 6.491 1.00 0.00 N ATOM 782 CA ALA A 57 -2.664 -0.498 5.895 1.00 0.00 C ATOM 783 C ALA A 57 -4.128 -0.702 5.520 1.00 0.00 C ATOM 784 O ALA A 57 -5.010 -0.003 6.018 1.00 0.00 O ATOM 785 CB ALA A 57 -1.857 -0.088 4.672 1.00 0.00 C ATOM 0 H ALA A 57 -1.555 -2.276 5.848 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.613 0.301 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.288 0.814 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.826 0.108 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.878 -0.892 3.936 1.00 0.00 H new ATOM 791 N GLY A 58 -4.380 -1.665 4.638 1.00 0.00 N ATOM 792 CA GLY A 58 -5.739 -1.943 4.211 1.00 0.00 C ATOM 793 C GLY A 58 -6.744 -1.783 5.335 1.00 0.00 C ATOM 794 O GLY A 58 -7.785 -1.150 5.160 1.00 0.00 O ATOM 0 H GLY A 58 -3.667 -2.257 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.004 -1.273 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.793 -2.959 3.821 1.00 0.00 H new ATOM 798 N ARG A 59 -6.433 -2.359 6.491 1.00 0.00 N ATOM 799 CA ARG A 59 -7.318 -2.280 7.647 1.00 0.00 C ATOM 800 C ARG A 59 -7.355 -0.862 8.208 1.00 0.00 C ATOM 801 O ARG A 59 -8.396 -0.391 8.665 1.00 0.00 O ATOM 802 CB ARG A 59 -6.863 -3.258 8.732 1.00 0.00 C ATOM 803 CG ARG A 59 -5.524 -2.897 9.354 1.00 0.00 C ATOM 804 CD ARG A 59 -5.147 -3.865 10.465 1.00 0.00 C ATOM 805 NE ARG A 59 -3.722 -3.806 10.782 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.053 -4.805 11.346 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.676 -5.935 11.652 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.758 -4.676 11.603 1.00 0.00 N ATOM 0 H ARG A 59 -5.575 -2.886 6.652 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.323 -2.550 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.620 -3.296 9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.797 -4.258 8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.751 -2.904 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.568 -1.883 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.727 -3.635 11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.410 -4.880 10.167 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.213 -2.951 10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.671 -6.038 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.160 -6.701 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.275 -3.809 11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.245 -5.444 12.036 1.00 0.00 H new ATOM 822 N ASP A 60 -6.211 -0.187 8.170 1.00 0.00 N ATOM 823 CA ASP A 60 -6.112 1.178 8.674 1.00 0.00 C ATOM 824 C ASP A 60 -7.352 1.986 8.303 1.00 0.00 C ATOM 825 O ASP A 60 -8.025 2.543 9.169 1.00 0.00 O ATOM 826 CB ASP A 60 -4.860 1.859 8.120 1.00 0.00 C ATOM 827 CG ASP A 60 -4.668 3.257 8.674 1.00 0.00 C ATOM 828 OD1 ASP A 60 -4.186 3.381 9.820 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.999 4.228 7.962 1.00 0.00 O ATOM 0 H ASP A 60 -5.340 -0.563 7.796 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.041 1.133 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.985 1.254 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.927 1.908 7.033 1.00 0.00 H new ATOM 834 N GLY A 61 -7.648 2.045 7.008 1.00 0.00 N ATOM 835 CA GLY A 61 -8.806 2.788 6.544 1.00 0.00 C ATOM 836 C GLY A 61 -8.424 4.007 5.729 1.00 0.00 C ATOM 837 O GLY A 61 -9.220 4.502 4.930 1.00 0.00 O ATOM 0 H GLY A 61 -7.107 1.592 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.436 2.134 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.401 3.100 7.402 1.00 0.00 H new ATOM 841 N ARG A 62 -7.204 4.494 5.931 1.00 0.00 N ATOM 842 CA ARG A 62 -6.720 5.665 5.210 1.00 0.00 C ATOM 843 C ARG A 62 -5.919 5.252 3.978 1.00 0.00 C ATOM 844 O ARG A 62 -6.092 5.813 2.895 1.00 0.00 O ATOM 845 CB ARG A 62 -5.855 6.533 6.126 1.00 0.00 C ATOM 846 CG ARG A 62 -6.550 6.935 7.417 1.00 0.00 C ATOM 847 CD ARG A 62 -7.516 8.088 7.194 1.00 0.00 C ATOM 848 NE ARG A 62 -8.806 7.630 6.685 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.826 8.442 6.430 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.706 9.746 6.636 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.968 7.950 5.968 1.00 0.00 N ATOM 0 H ARG A 62 -6.533 4.096 6.588 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.585 6.243 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.941 5.992 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.559 7.433 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.090 6.079 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.805 7.222 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.665 8.622 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.079 8.796 6.490 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.931 6.632 6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.829 10.128 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.490 10.368 6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.064 6.947 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.750 8.575 5.773 1.00 0.00 H new ATOM 865 N LEU A 63 -5.042 4.270 4.151 1.00 0.00 N ATOM 866 CA LEU A 63 -4.213 3.782 3.054 1.00 0.00 C ATOM 867 C LEU A 63 -5.076 3.288 1.898 1.00 0.00 C ATOM 868 O LEU A 63 -6.154 2.732 2.108 1.00 0.00 O ATOM 869 CB LEU A 63 -3.300 2.655 3.541 1.00 0.00 C ATOM 870 CG LEU A 63 -1.976 2.493 2.792 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.209 1.867 1.426 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.275 3.836 2.653 1.00 0.00 C ATOM 0 H LEU A 63 -4.886 3.796 5.040 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.600 4.610 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.080 2.823 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.849 1.716 3.475 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.333 1.828 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.256 1.760 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.668 0.886 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.870 2.506 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.335 3.702 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.913 4.524 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.074 4.246 3.643 1.00 0.00 H new ATOM 884 N ARG A 64 -4.594 3.494 0.676 1.00 0.00 N ATOM 885 CA ARG A 64 -5.321 3.069 -0.514 1.00 0.00 C ATOM 886 C ARG A 64 -4.496 3.319 -1.773 1.00 0.00 C ATOM 887 O ARG A 64 -3.734 4.283 -1.848 1.00 0.00 O ATOM 888 CB ARG A 64 -6.657 3.808 -0.612 1.00 0.00 C ATOM 889 CG ARG A 64 -6.526 5.319 -0.509 1.00 0.00 C ATOM 890 CD ARG A 64 -7.738 6.024 -1.099 1.00 0.00 C ATOM 891 NE ARG A 64 -7.710 7.462 -0.847 1.00 0.00 N ATOM 892 CZ ARG A 64 -7.956 8.005 0.340 1.00 0.00 C ATOM 893 NH1 ARG A 64 -8.246 7.233 1.378 1.00 0.00 N ATOM 894 NH2 ARG A 64 -7.912 9.323 0.490 1.00 0.00 N ATOM 0 H ARG A 64 -3.703 3.953 0.485 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.510 1.999 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.133 3.557 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.317 3.454 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.410 5.605 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.625 5.644 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.774 5.845 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.647 5.599 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.489 8.084 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.281 6.220 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.435 7.652 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.689 9.920 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.101 9.739 1.402 1.00 0.00 H new ATOM 908 N VAL A 65 -4.653 2.443 -2.760 1.00 0.00 N ATOM 909 CA VAL A 65 -3.923 2.568 -4.017 1.00 0.00 C ATOM 910 C VAL A 65 -4.204 3.910 -4.684 1.00 0.00 C ATOM 911 O VAL A 65 -5.277 4.124 -5.245 1.00 0.00 O ATOM 912 CB VAL A 65 -4.290 1.435 -4.994 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.510 1.577 -6.292 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.035 0.078 -4.355 1.00 0.00 C ATOM 0 H VAL A 65 -5.279 1.639 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.862 2.500 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.352 1.508 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.782 0.768 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.747 2.535 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.442 1.530 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.300 -0.711 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.981 -0.008 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.642 -0.020 -3.455 1.00 0.00 H new ATOM 924 N GLY A 66 -3.229 4.812 -4.618 1.00 0.00 N ATOM 925 CA GLY A 66 -3.390 6.123 -5.221 1.00 0.00 C ATOM 926 C GLY A 66 -2.774 7.225 -4.383 1.00 0.00 C ATOM 927 O GLY A 66 -2.399 8.276 -4.905 1.00 0.00 O ATOM 0 H GLY A 66 -2.331 4.659 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.932 6.123 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.451 6.327 -5.361 1.00 0.00 H new ATOM 931 N LEU A 67 -2.670 6.988 -3.080 1.00 0.00 N ATOM 932 CA LEU A 67 -2.096 7.970 -2.167 1.00 0.00 C ATOM 933 C LEU A 67 -0.595 8.116 -2.397 1.00 0.00 C ATOM 934 O LEU A 67 0.164 7.160 -2.233 1.00 0.00 O ATOM 935 CB LEU A 67 -2.364 7.566 -0.716 1.00 0.00 C ATOM 936 CG LEU A 67 -3.802 7.738 -0.227 1.00 0.00 C ATOM 937 CD1 LEU A 67 -4.124 6.718 0.855 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.025 9.152 0.289 1.00 0.00 C ATOM 0 H LEU A 67 -2.976 6.124 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.570 8.932 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.082 6.520 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.709 8.151 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.473 7.569 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.152 6.856 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.005 5.712 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.446 6.855 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.054 9.256 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.344 9.349 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.837 9.866 -0.513 1.00 0.00 H new ATOM 950 N ARG A 68 -0.173 9.318 -2.774 1.00 0.00 N ATOM 951 CA ARG A 68 1.237 9.589 -3.026 1.00 0.00 C ATOM 952 C ARG A 68 2.039 9.545 -1.728 1.00 0.00 C ATOM 953 O ARG A 68 1.741 10.269 -0.777 1.00 0.00 O ATOM 954 CB ARG A 68 1.405 10.954 -3.695 1.00 0.00 C ATOM 955 CG ARG A 68 2.828 11.241 -4.145 1.00 0.00 C ATOM 956 CD ARG A 68 3.009 12.704 -4.521 1.00 0.00 C ATOM 957 NE ARG A 68 4.043 12.884 -5.537 1.00 0.00 N ATOM 958 CZ ARG A 68 4.416 14.070 -6.004 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.843 15.176 -5.547 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.364 14.152 -6.928 1.00 0.00 N ATOM 0 H ARG A 68 -0.788 10.120 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 68 1.616 8.816 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.742 11.010 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.089 11.731 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.523 10.981 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.074 10.611 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.064 13.103 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.271 13.277 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 68 4.504 12.053 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.114 15.116 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.131 16.086 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.807 13.304 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.650 15.063 -7.286 1.00 0.00 H new ATOM 974 N LEU A 69 3.056 8.691 -1.696 1.00 0.00 N ATOM 975 CA LEU A 69 3.901 8.552 -0.515 1.00 0.00 C ATOM 976 C LEU A 69 4.841 9.745 -0.374 1.00 0.00 C ATOM 977 O LEU A 69 5.775 9.910 -1.160 1.00 0.00 O ATOM 978 CB LEU A 69 4.711 7.257 -0.593 1.00 0.00 C ATOM 979 CG LEU A 69 4.126 6.053 0.147 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.324 6.202 1.647 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.650 5.890 -0.185 1.00 0.00 C ATOM 0 H LEU A 69 3.316 8.085 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 69 3.254 8.517 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.831 6.990 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.708 7.451 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 69 4.653 5.157 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.902 5.336 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.389 6.270 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.823 7.107 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.250 5.029 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.108 6.787 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.533 5.737 -1.258 1.00 0.00 H new ATOM 993 N LEU A 70 4.589 10.574 0.634 1.00 0.00 N ATOM 994 CA LEU A 70 5.414 11.751 0.880 1.00 0.00 C ATOM 995 C LEU A 70 6.630 11.396 1.730 1.00 0.00 C ATOM 996 O LEU A 70 7.762 11.731 1.381 1.00 0.00 O ATOM 997 CB LEU A 70 4.592 12.838 1.575 1.00 0.00 C ATOM 998 CG LEU A 70 3.789 13.762 0.659 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.643 14.227 -0.511 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.535 13.060 0.160 1.00 0.00 C ATOM 0 H LEU A 70 3.820 10.452 1.293 1.00 0.00 H new ATOM 0 HA LEU A 70 5.763 12.127 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.901 12.356 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.268 13.450 2.173 1.00 0.00 H new ATOM 0 HG LEU A 70 3.487 14.638 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.055 14.884 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.511 14.769 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.976 13.362 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.976 13.733 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.816 12.166 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.914 12.777 1.010 1.00 0.00 H new ATOM 1012 N GLU A 71 6.388 10.714 2.845 1.00 0.00 N ATOM 1013 CA GLU A 71 7.465 10.313 3.743 1.00 0.00 C ATOM 1014 C GLU A 71 7.088 9.050 4.512 1.00 0.00 C ATOM 1015 O GLU A 71 5.949 8.893 4.951 1.00 0.00 O ATOM 1016 CB GLU A 71 7.790 11.442 4.722 1.00 0.00 C ATOM 1017 CG GLU A 71 8.105 12.764 4.043 1.00 0.00 C ATOM 1018 CD GLU A 71 8.840 13.728 4.955 1.00 0.00 C ATOM 1019 OE1 GLU A 71 8.840 13.498 6.183 1.00 0.00 O ATOM 1020 OE2 GLU A 71 9.415 14.710 4.442 1.00 0.00 O ATOM 0 H GLU A 71 5.457 10.428 3.148 1.00 0.00 H new ATOM 0 HA GLU A 71 8.348 10.101 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.945 11.582 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.641 11.146 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.709 12.577 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.177 13.225 3.706 1.00 0.00 H new ATOM 1027 N VAL A 72 8.055 8.151 4.672 1.00 0.00 N ATOM 1028 CA VAL A 72 7.826 6.902 5.388 1.00 0.00 C ATOM 1029 C VAL A 72 8.647 6.847 6.672 1.00 0.00 C ATOM 1030 O VAL A 72 9.870 6.719 6.633 1.00 0.00 O ATOM 1031 CB VAL A 72 8.176 5.682 4.515 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.021 4.394 5.310 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.308 5.655 3.266 1.00 0.00 C ATOM 0 H VAL A 72 9.004 8.265 4.315 1.00 0.00 H new ATOM 0 HA VAL A 72 6.765 6.869 5.636 1.00 0.00 H new ATOM 0 HB VAL A 72 9.217 5.766 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.272 3.543 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.689 4.415 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.990 4.299 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.568 4.787 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.258 5.595 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.474 6.564 2.688 1.00 0.00 H new ATOM 1043 N ASN A 73 7.966 6.943 7.808 1.00 0.00 N ATOM 1044 CA ASN A 73 8.632 6.904 9.105 1.00 0.00 C ATOM 1045 C ASN A 73 9.533 8.121 9.291 1.00 0.00 C ATOM 1046 O ASN A 73 10.643 8.010 9.810 1.00 0.00 O ATOM 1047 CB ASN A 73 9.455 5.621 9.240 1.00 0.00 C ATOM 1048 CG ASN A 73 8.702 4.525 9.969 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.128 4.753 11.034 1.00 0.00 O ATOM 1050 ND2 ASN A 73 8.701 3.327 9.397 1.00 0.00 N ATOM 0 H ASN A 73 6.953 7.048 7.857 1.00 0.00 H new ATOM 0 HA ASN A 73 7.866 6.920 9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.736 5.267 8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.379 5.840 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.211 2.550 9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.190 3.183 8.514 1.00 0.00 H new ATOM 1057 N GLN A 74 9.045 9.282 8.863 1.00 0.00 N ATOM 1058 CA GLN A 74 9.806 10.520 8.982 1.00 0.00 C ATOM 1059 C GLN A 74 11.082 10.457 8.148 1.00 0.00 C ATOM 1060 O GLN A 74 12.110 11.017 8.528 1.00 0.00 O ATOM 1061 CB GLN A 74 10.154 10.791 10.447 1.00 0.00 C ATOM 1062 CG GLN A 74 8.950 11.160 11.299 1.00 0.00 C ATOM 1063 CD GLN A 74 9.185 10.919 12.777 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.067 11.526 13.384 1.00 0.00 O ATOM 1065 NE2 GLN A 74 8.395 10.028 13.364 1.00 0.00 N ATOM 0 H GLN A 74 8.127 9.390 8.431 1.00 0.00 H new ATOM 0 HA GLN A 74 9.187 11.335 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.630 9.906 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.884 11.599 10.495 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.706 12.210 11.140 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.087 10.579 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.676 9.548 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.507 9.823 14.357 1.00 0.00 H new ATOM 1074 N GLN A 75 11.007 9.772 7.011 1.00 0.00 N ATOM 1075 CA GLN A 75 12.156 9.636 6.125 1.00 0.00 C ATOM 1076 C GLN A 75 11.778 9.975 4.687 1.00 0.00 C ATOM 1077 O GLN A 75 11.331 9.111 3.932 1.00 0.00 O ATOM 1078 CB GLN A 75 12.716 8.214 6.196 1.00 0.00 C ATOM 1079 CG GLN A 75 13.125 7.791 7.598 1.00 0.00 C ATOM 1080 CD GLN A 75 14.187 6.709 7.594 1.00 0.00 C ATOM 1081 OE1 GLN A 75 14.851 6.478 6.583 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.352 6.037 8.728 1.00 0.00 N ATOM 0 H GLN A 75 10.163 9.303 6.682 1.00 0.00 H new ATOM 0 HA GLN A 75 12.922 10.338 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.966 7.518 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.580 8.139 5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.498 8.659 8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.248 7.432 8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.780 6.262 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.051 5.296 8.785 1.00 0.00 H new ATOM 1091 N SER A 76 11.960 11.238 4.314 1.00 0.00 N ATOM 1092 CA SER A 76 11.634 11.692 2.968 1.00 0.00 C ATOM 1093 C SER A 76 12.124 10.694 1.924 1.00 0.00 C ATOM 1094 O SER A 76 13.284 10.278 1.942 1.00 0.00 O ATOM 1095 CB SER A 76 12.253 13.066 2.706 1.00 0.00 C ATOM 1096 OG SER A 76 11.598 13.726 1.636 1.00 0.00 O ATOM 0 H SER A 76 12.332 11.965 4.926 1.00 0.00 H new ATOM 0 HA SER A 76 10.549 11.769 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.188 13.675 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.312 12.953 2.474 1.00 0.00 H new ATOM 0 HG SER A 76 12.012 14.602 1.490 1.00 0.00 H new ATOM 1102 N LEU A 77 11.234 10.313 1.014 1.00 0.00 N ATOM 1103 CA LEU A 77 11.575 9.362 -0.039 1.00 0.00 C ATOM 1104 C LEU A 77 12.111 10.084 -1.271 1.00 0.00 C ATOM 1105 O LEU A 77 12.282 9.482 -2.331 1.00 0.00 O ATOM 1106 CB LEU A 77 10.349 8.528 -0.416 1.00 0.00 C ATOM 1107 CG LEU A 77 9.504 8.012 0.750 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.323 7.203 0.236 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.353 7.178 1.697 1.00 0.00 C ATOM 0 H LEU A 77 10.271 10.648 0.984 1.00 0.00 H new ATOM 0 HA LEU A 77 12.354 8.701 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.710 9.129 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.683 7.673 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 77 9.118 8.870 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.733 6.844 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.701 7.832 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.688 6.352 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.735 6.820 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.769 6.327 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.164 7.789 2.092 1.00 0.00 H new ATOM 1121 N LEU A 78 12.376 11.378 -1.124 1.00 0.00 N ATOM 1122 CA LEU A 78 12.895 12.182 -2.224 1.00 0.00 C ATOM 1123 C LEU A 78 14.400 11.987 -2.378 1.00 0.00 C ATOM 1124 O LEU A 78 15.165 12.220 -1.444 1.00 0.00 O ATOM 1125 CB LEU A 78 12.582 13.662 -1.992 1.00 0.00 C ATOM 1126 CG LEU A 78 12.681 14.569 -3.219 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.113 14.627 -3.727 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.743 14.086 -4.316 1.00 0.00 C ATOM 0 H LEU A 78 12.240 11.892 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 78 12.409 11.854 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.573 13.740 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.262 14.041 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 78 12.380 15.575 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.163 15.277 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.761 15.020 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.443 13.625 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.827 14.743 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.013 13.070 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.717 14.098 -3.949 1.00 0.00 H new ATOM 1140 N GLY A 79 14.818 11.560 -3.566 1.00 0.00 N ATOM 1141 CA GLY A 79 16.230 11.343 -3.822 1.00 0.00 C ATOM 1142 C GLY A 79 16.565 9.878 -4.017 1.00 0.00 C ATOM 1143 O GLY A 79 17.460 9.536 -4.791 1.00 0.00 O ATOM 0 H GLY A 79 14.204 11.361 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.525 11.901 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.812 11.738 -2.989 1.00 0.00 H new ATOM 1147 N LEU A 80 15.849 9.010 -3.311 1.00 0.00 N ATOM 1148 CA LEU A 80 16.076 7.572 -3.409 1.00 0.00 C ATOM 1149 C LEU A 80 15.289 6.974 -4.571 1.00 0.00 C ATOM 1150 O LEU A 80 14.368 7.599 -5.099 1.00 0.00 O ATOM 1151 CB LEU A 80 15.680 6.883 -2.102 1.00 0.00 C ATOM 1152 CG LEU A 80 14.489 7.488 -1.358 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.741 6.414 -0.585 1.00 0.00 C ATOM 1154 CD2 LEU A 80 14.952 8.596 -0.423 1.00 0.00 C ATOM 0 H LEU A 80 15.106 9.277 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 80 17.138 7.409 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.455 5.839 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.542 6.891 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 80 13.808 7.919 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.897 6.863 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.377 5.655 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.412 5.953 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.092 9.015 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.654 8.188 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.443 9.379 -1.001 1.00 0.00 H new ATOM 1166 N THR A 81 15.656 5.758 -4.964 1.00 0.00 N ATOM 1167 CA THR A 81 14.984 5.075 -6.062 1.00 0.00 C ATOM 1168 C THR A 81 13.952 4.081 -5.542 1.00 0.00 C ATOM 1169 O THR A 81 14.004 3.666 -4.384 1.00 0.00 O ATOM 1170 CB THR A 81 15.990 4.331 -6.961 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.701 3.353 -6.194 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.976 5.304 -7.590 1.00 0.00 C ATOM 0 H THR A 81 16.415 5.226 -4.538 1.00 0.00 H new ATOM 0 HA THR A 81 14.481 5.842 -6.650 1.00 0.00 H new ATOM 0 HB THR A 81 15.435 3.835 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.337 2.883 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.676 4.756 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.434 6.030 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.525 5.824 -6.805 1.00 0.00 H new ATOM 1180 N HIS A 82 13.016 3.700 -6.406 1.00 0.00 N ATOM 1181 CA HIS A 82 11.972 2.752 -6.033 1.00 0.00 C ATOM 1182 C HIS A 82 12.502 1.725 -5.036 1.00 0.00 C ATOM 1183 O HIS A 82 11.950 1.559 -3.949 1.00 0.00 O ATOM 1184 CB HIS A 82 11.431 2.043 -7.274 1.00 0.00 C ATOM 1185 CG HIS A 82 10.021 1.561 -7.122 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.637 0.263 -7.385 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.901 2.211 -6.728 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.341 0.136 -7.162 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.870 1.303 -6.762 1.00 0.00 N ATOM 0 H HIS A 82 12.959 4.033 -7.368 1.00 0.00 H new ATOM 0 HA HIS A 82 11.163 3.308 -5.560 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.484 2.724 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.074 1.194 -7.506 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.257 -0.483 -7.702 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.831 3.250 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.765 -0.769 -7.286 1.00 0.00 H new ATOM 1198 N GLY A 83 13.575 1.038 -5.416 1.00 0.00 N ATOM 1199 CA GLY A 83 14.160 0.035 -4.544 1.00 0.00 C ATOM 1200 C GLY A 83 14.511 0.589 -3.178 1.00 0.00 C ATOM 1201 O GLY A 83 14.198 -0.021 -2.156 1.00 0.00 O ATOM 0 H GLY A 83 14.049 1.158 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.461 -0.794 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.058 -0.369 -5.011 1.00 0.00 H new ATOM 1205 N GLU A 84 15.165 1.746 -3.160 1.00 0.00 N ATOM 1206 CA GLU A 84 15.561 2.379 -1.907 1.00 0.00 C ATOM 1207 C GLU A 84 14.337 2.748 -1.073 1.00 0.00 C ATOM 1208 O GLU A 84 14.306 2.520 0.136 1.00 0.00 O ATOM 1209 CB GLU A 84 16.398 3.630 -2.185 1.00 0.00 C ATOM 1210 CG GLU A 84 17.879 3.343 -2.367 1.00 0.00 C ATOM 1211 CD GLU A 84 18.615 3.214 -1.047 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.692 2.085 -0.520 1.00 0.00 O ATOM 1213 OE2 GLU A 84 19.113 4.241 -0.542 1.00 0.00 O ATOM 0 H GLU A 84 15.432 2.264 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 84 16.162 1.666 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.018 4.119 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.271 4.332 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.999 2.422 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.331 4.143 -2.954 1.00 0.00 H new ATOM 1220 N ALA A 85 13.332 3.319 -1.728 1.00 0.00 N ATOM 1221 CA ALA A 85 12.106 3.718 -1.048 1.00 0.00 C ATOM 1222 C ALA A 85 11.394 2.511 -0.447 1.00 0.00 C ATOM 1223 O ALA A 85 11.052 2.505 0.735 1.00 0.00 O ATOM 1224 CB ALA A 85 11.184 4.452 -2.011 1.00 0.00 C ATOM 0 H ALA A 85 13.343 3.516 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 85 12.374 4.391 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.272 4.744 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.687 5.342 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.932 3.796 -2.844 1.00 0.00 H new ATOM 1230 N VAL A 86 11.173 1.490 -1.269 1.00 0.00 N ATOM 1231 CA VAL A 86 10.502 0.277 -0.819 1.00 0.00 C ATOM 1232 C VAL A 86 11.122 -0.247 0.472 1.00 0.00 C ATOM 1233 O VAL A 86 10.454 -0.334 1.502 1.00 0.00 O ATOM 1234 CB VAL A 86 10.561 -0.828 -1.890 1.00 0.00 C ATOM 1235 CG1 VAL A 86 10.177 -2.173 -1.291 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.658 -0.481 -3.064 1.00 0.00 C ATOM 0 H VAL A 86 11.449 1.479 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 86 9.460 0.540 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 86 11.585 -0.899 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.224 -2.942 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.868 -2.424 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.163 -2.119 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.712 -1.273 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.630 -0.381 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.984 0.460 -3.508 1.00 0.00 H new ATOM 1246 N GLN A 87 12.403 -0.595 0.407 1.00 0.00 N ATOM 1247 CA GLN A 87 13.113 -1.111 1.571 1.00 0.00 C ATOM 1248 C GLN A 87 12.855 -0.241 2.797 1.00 0.00 C ATOM 1249 O GLN A 87 12.971 -0.700 3.934 1.00 0.00 O ATOM 1250 CB GLN A 87 14.615 -1.181 1.289 1.00 0.00 C ATOM 1251 CG GLN A 87 14.976 -2.114 0.144 1.00 0.00 C ATOM 1252 CD GLN A 87 14.453 -3.522 0.351 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.901 -4.236 1.249 1.00 0.00 O ATOM 1254 NE2 GLN A 87 13.501 -3.929 -0.480 1.00 0.00 N ATOM 0 H GLN A 87 12.970 -0.529 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 87 12.741 -2.115 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.980 -0.180 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.131 -1.510 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.573 -1.714 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.060 -2.146 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.160 -3.304 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.111 -4.867 -0.389 1.00 0.00 H new ATOM 1263 N LEU A 88 12.503 1.018 2.559 1.00 0.00 N ATOM 1264 CA LEU A 88 12.228 1.954 3.644 1.00 0.00 C ATOM 1265 C LEU A 88 10.838 1.719 4.226 1.00 0.00 C ATOM 1266 O LEU A 88 10.614 1.908 5.422 1.00 0.00 O ATOM 1267 CB LEU A 88 12.348 3.395 3.143 1.00 0.00 C ATOM 1268 CG LEU A 88 12.791 4.430 4.178 1.00 0.00 C ATOM 1269 CD1 LEU A 88 13.087 5.762 3.507 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.729 4.597 5.254 1.00 0.00 C ATOM 0 H LEU A 88 12.401 1.414 1.625 1.00 0.00 H new ATOM 0 HA LEU A 88 12.964 1.787 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.056 3.413 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.381 3.701 2.743 1.00 0.00 H new ATOM 0 HG LEU A 88 13.706 4.074 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.401 6.486 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.883 5.631 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.189 6.125 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.062 5.337 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.797 4.930 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.566 3.643 5.755 1.00 0.00 H new ATOM 1282 N LEU A 89 9.908 1.305 3.373 1.00 0.00 N ATOM 1283 CA LEU A 89 8.539 1.042 3.802 1.00 0.00 C ATOM 1284 C LEU A 89 8.436 -0.315 4.492 1.00 0.00 C ATOM 1285 O LEU A 89 7.603 -0.511 5.377 1.00 0.00 O ATOM 1286 CB LEU A 89 7.589 1.092 2.604 1.00 0.00 C ATOM 1287 CG LEU A 89 7.376 -0.228 1.861 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.310 -1.064 2.553 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.995 0.032 0.411 1.00 0.00 C ATOM 0 H LEU A 89 10.077 1.144 2.380 1.00 0.00 H new ATOM 0 HA LEU A 89 8.253 1.815 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.620 1.452 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.969 1.828 1.895 1.00 0.00 H new ATOM 0 HG LEU A 89 8.312 -0.786 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.172 -1.999 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.623 -1.280 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.370 -0.513 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.847 -0.918 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.072 0.611 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.792 0.590 -0.080 1.00 0.00 H new ATOM 1301 N ARG A 90 9.289 -1.247 4.081 1.00 0.00 N ATOM 1302 CA ARG A 90 9.294 -2.586 4.660 1.00 0.00 C ATOM 1303 C ARG A 90 10.240 -2.657 5.856 1.00 0.00 C ATOM 1304 O ARG A 90 10.448 -3.724 6.433 1.00 0.00 O ATOM 1305 CB ARG A 90 9.706 -3.617 3.609 1.00 0.00 C ATOM 1306 CG ARG A 90 11.014 -3.286 2.910 1.00 0.00 C ATOM 1307 CD ARG A 90 11.587 -4.499 2.195 1.00 0.00 C ATOM 1308 NE ARG A 90 12.066 -5.511 3.132 1.00 0.00 N ATOM 1309 CZ ARG A 90 13.141 -5.355 3.897 1.00 0.00 C ATOM 1310 NH1 ARG A 90 13.845 -4.232 3.835 1.00 0.00 N ATOM 1311 NH2 ARG A 90 13.514 -6.321 4.726 1.00 0.00 N ATOM 0 H ARG A 90 9.985 -1.100 3.350 1.00 0.00 H new ATOM 0 HA ARG A 90 8.284 -2.811 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.796 -4.593 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.916 -3.698 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.851 -2.483 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.735 -2.919 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.823 -4.934 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.407 -4.185 1.550 1.00 0.00 H new ATOM 0 HE ARG A 90 11.547 -6.386 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.561 -3.487 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.670 -4.114 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.975 -7.186 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.340 -6.199 5.312 1.00 0.00 H new ATOM 1325 N SER A 91 10.810 -1.513 6.222 1.00 0.00 N ATOM 1326 CA SER A 91 11.736 -1.446 7.346 1.00 0.00 C ATOM 1327 C SER A 91 11.021 -0.987 8.613 1.00 0.00 C ATOM 1328 O SER A 91 11.653 -0.529 9.565 1.00 0.00 O ATOM 1329 CB SER A 91 12.892 -0.496 7.026 1.00 0.00 C ATOM 1330 OG SER A 91 13.872 -0.522 8.049 1.00 0.00 O ATOM 0 H SER A 91 10.647 -0.620 5.756 1.00 0.00 H new ATOM 0 HA SER A 91 12.134 -2.446 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.346 -0.778 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.511 0.519 6.909 1.00 0.00 H new ATOM 0 HG SER A 91 13.431 -0.532 8.924 1.00 0.00 H new ATOM 1336 N VAL A 92 9.698 -1.113 8.617 1.00 0.00 N ATOM 1337 CA VAL A 92 8.895 -0.712 9.766 1.00 0.00 C ATOM 1338 C VAL A 92 8.879 -1.802 10.832 1.00 0.00 C ATOM 1339 O VAL A 92 8.991 -2.988 10.524 1.00 0.00 O ATOM 1340 CB VAL A 92 7.446 -0.391 9.354 1.00 0.00 C ATOM 1341 CG1 VAL A 92 6.670 0.178 10.532 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.429 0.573 8.178 1.00 0.00 C ATOM 0 H VAL A 92 9.159 -1.490 7.837 1.00 0.00 H new ATOM 0 HA VAL A 92 9.356 0.187 10.176 1.00 0.00 H new ATOM 0 HB VAL A 92 6.961 -1.316 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.649 0.399 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.654 -0.550 11.343 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.151 1.094 10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.398 0.789 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.931 1.499 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.947 0.123 7.331 1.00 0.00 H new ATOM 1352 N GLY A 93 8.739 -1.391 12.089 1.00 0.00 N ATOM 1353 CA GLY A 93 8.710 -2.345 13.182 1.00 0.00 C ATOM 1354 C GLY A 93 7.299 -2.739 13.570 1.00 0.00 C ATOM 1355 O GLY A 93 6.821 -3.810 13.195 1.00 0.00 O ATOM 0 H GLY A 93 8.645 -0.415 12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.268 -3.237 12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.215 -1.917 14.048 1.00 0.00 H new ATOM 1359 N ASP A 94 6.631 -1.874 14.326 1.00 0.00 N ATOM 1360 CA ASP A 94 5.266 -2.138 14.766 1.00 0.00 C ATOM 1361 C ASP A 94 4.315 -1.056 14.265 1.00 0.00 C ATOM 1362 O ASP A 94 3.107 -1.274 14.162 1.00 0.00 O ATOM 1363 CB ASP A 94 5.207 -2.221 16.292 1.00 0.00 C ATOM 1364 CG ASP A 94 6.037 -1.144 16.963 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.111 -0.025 16.414 1.00 0.00 O ATOM 1366 OD2 ASP A 94 6.613 -1.421 18.036 1.00 0.00 O ATOM 0 H ASP A 94 7.013 -0.984 14.647 1.00 0.00 H new ATOM 0 HA ASP A 94 4.953 -3.094 14.346 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.171 -2.133 16.618 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.560 -3.201 16.614 1.00 0.00 H new ATOM 1371 N THR A 95 4.867 0.113 13.955 1.00 0.00 N ATOM 1372 CA THR A 95 4.068 1.230 13.468 1.00 0.00 C ATOM 1373 C THR A 95 4.936 2.251 12.741 1.00 0.00 C ATOM 1374 O THR A 95 5.986 2.657 13.242 1.00 0.00 O ATOM 1375 CB THR A 95 3.323 1.933 14.618 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.631 0.966 15.416 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.334 2.954 14.079 1.00 0.00 C ATOM 0 H THR A 95 5.865 0.310 14.033 1.00 0.00 H new ATOM 0 HA THR A 95 3.338 0.816 12.772 1.00 0.00 H new ATOM 0 HB THR A 95 4.058 2.453 15.233 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.498 0.147 14.895 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.820 3.437 14.910 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.868 3.705 13.496 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.604 2.453 13.443 1.00 0.00 H new ATOM 1385 N LEU A 96 4.492 2.663 11.559 1.00 0.00 N ATOM 1386 CA LEU A 96 5.229 3.639 10.763 1.00 0.00 C ATOM 1387 C LEU A 96 4.455 4.949 10.655 1.00 0.00 C ATOM 1388 O LEU A 96 3.296 5.034 11.061 1.00 0.00 O ATOM 1389 CB LEU A 96 5.507 3.081 9.366 1.00 0.00 C ATOM 1390 CG LEU A 96 4.467 3.406 8.294 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.017 3.107 6.908 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.184 2.625 8.541 1.00 0.00 C ATOM 0 H LEU A 96 3.626 2.337 11.130 1.00 0.00 H new ATOM 0 HA LEU A 96 6.177 3.838 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.474 3.458 9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.596 1.997 9.441 1.00 0.00 H new ATOM 0 HG LEU A 96 4.237 4.470 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.262 3.345 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.907 3.711 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.276 2.051 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.455 2.869 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.398 1.556 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.779 2.890 9.518 1.00 0.00 H new ATOM 1404 N THR A 97 5.104 5.970 10.102 1.00 0.00 N ATOM 1405 CA THR A 97 4.477 7.275 9.939 1.00 0.00 C ATOM 1406 C THR A 97 4.448 7.692 8.473 1.00 0.00 C ATOM 1407 O THR A 97 5.432 8.207 7.943 1.00 0.00 O ATOM 1408 CB THR A 97 5.212 8.357 10.753 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.657 7.813 12.001 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.306 9.551 11.009 1.00 0.00 C ATOM 0 H THR A 97 6.063 5.917 9.760 1.00 0.00 H new ATOM 0 HA THR A 97 3.456 7.183 10.309 1.00 0.00 H new ATOM 0 HB THR A 97 6.073 8.692 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.981 8.537 12.577 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.847 10.301 11.585 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.993 9.981 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.428 9.228 11.568 1.00 0.00 H new ATOM 1418 N VAL A 98 3.311 7.466 7.821 1.00 0.00 N ATOM 1419 CA VAL A 98 3.153 7.819 6.416 1.00 0.00 C ATOM 1420 C VAL A 98 2.495 9.186 6.264 1.00 0.00 C ATOM 1421 O VAL A 98 1.459 9.460 6.872 1.00 0.00 O ATOM 1422 CB VAL A 98 2.312 6.770 5.664 1.00 0.00 C ATOM 1423 CG1 VAL A 98 2.770 5.364 6.019 1.00 0.00 C ATOM 1424 CG2 VAL A 98 0.833 6.952 5.974 1.00 0.00 C ATOM 0 H VAL A 98 2.486 7.040 8.244 1.00 0.00 H new ATOM 0 HA VAL A 98 4.153 7.850 5.983 1.00 0.00 H new ATOM 0 HB VAL A 98 2.456 6.914 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.164 4.637 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.817 5.242 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.657 5.204 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.253 6.203 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.669 6.836 7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.516 7.948 5.664 1.00 0.00 H new ATOM 1434 N LEU A 99 3.102 10.041 5.448 1.00 0.00 N ATOM 1435 CA LEU A 99 2.575 11.382 5.215 1.00 0.00 C ATOM 1436 C LEU A 99 1.893 11.469 3.853 1.00 0.00 C ATOM 1437 O LEU A 99 1.932 12.508 3.194 1.00 0.00 O ATOM 1438 CB LEU A 99 3.699 12.415 5.303 1.00 0.00 C ATOM 1439 CG LEU A 99 3.261 13.879 5.365 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.490 14.152 6.648 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.467 14.802 5.260 1.00 0.00 C ATOM 0 H LEU A 99 3.959 9.830 4.937 1.00 0.00 H new ATOM 0 HA LEU A 99 1.834 11.594 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.297 12.198 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.351 12.288 4.439 1.00 0.00 H new ATOM 0 HG LEU A 99 2.602 14.077 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.187 15.199 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.605 13.517 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.125 13.937 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.136 15.840 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.151 14.602 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.979 14.626 4.314 1.00 0.00 H new ATOM 1453 N VAL A 100 1.267 10.372 3.439 1.00 0.00 N ATOM 1454 CA VAL A 100 0.574 10.326 2.157 1.00 0.00 C ATOM 1455 C VAL A 100 -0.635 11.254 2.153 1.00 0.00 C ATOM 1456 O VAL A 100 -0.913 11.933 3.142 1.00 0.00 O ATOM 1457 CB VAL A 100 0.110 8.896 1.821 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.193 7.887 2.173 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -1.188 8.573 2.547 1.00 0.00 C ATOM 0 H VAL A 100 1.226 9.504 3.972 1.00 0.00 H new ATOM 0 HA VAL A 100 1.285 10.657 1.400 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.075 8.835 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.848 6.882 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.096 8.109 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.413 7.946 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.501 7.559 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.032 8.651 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.961 9.277 2.240 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.351 11.279 1.034 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.532 12.125 0.900 1.00 0.00 C ATOM 1471 C CYS A 101 -3.260 11.839 -0.409 1.00 0.00 C ATOM 1472 O CYS A 101 -2.674 11.313 -1.355 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.137 13.601 0.966 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.689 14.317 -0.633 1.00 0.00 S ATOM 0 H CYS A 101 -1.134 10.723 0.207 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.206 11.899 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.966 14.170 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.295 13.711 1.650 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.373 15.568 -0.475 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.542 12.186 -0.455 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.351 11.966 -1.648 1.00 0.00 C ATOM 1482 C ASP A 102 -4.664 12.537 -2.884 1.00 0.00 C ATOM 1483 O ASP A 102 -4.647 13.750 -3.092 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.732 12.601 -1.477 1.00 0.00 C ATOM 1485 CG ASP A 102 -6.668 13.948 -0.785 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.092 14.889 -1.370 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -7.196 14.062 0.341 1.00 0.00 O ATOM 0 H ASP A 102 -5.043 12.621 0.320 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.468 10.891 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.198 12.720 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.369 11.930 -0.901 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.097 11.655 -3.701 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.415 12.091 -4.905 1.00 0.00 C ATOM 1494 C GLY A 103 -4.331 12.117 -6.113 1.00 0.00 C ATOM 1495 O GLY A 103 -4.375 13.105 -6.846 1.00 0.00 O ATOM 0 H GLY A 103 -4.098 10.646 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.002 13.087 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.575 11.426 -5.104 1.00 0.00 H new