USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 26 TYR OH : rot 130:sc= 0.954 USER MOD Set 1.2: A 65 SER OG : rot 40:sc= 1.33 USER MOD Single : A 7 THR OG1 : rot 140:sc= 0 USER MOD Single : A 11 MET CE :methyl 158:sc= 0 (180deg=-0.35) USER MOD Single : A 12 THR OG1 : rot -20:sc= 0.654 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.135 USER MOD Single : A 58 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.18) USER MOD Single : A 63 SER OG : rot -130:sc= -0.0324 USER MOD Single : A 70 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.03) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.111 (180deg=-0.941) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 4.158 0.354 6.213 1.00 0.00 N ATOM 71 CA LEU A 3 3.894 -0.913 6.930 1.00 0.00 C ATOM 72 C LEU A 3 4.223 -2.145 6.052 1.00 0.00 C ATOM 73 O LEU A 3 4.567 -1.996 4.882 1.00 0.00 O ATOM 74 CB LEU A 3 2.427 -0.956 7.437 1.00 0.00 C ATOM 75 CG LEU A 3 2.071 -0.265 8.774 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.052 -0.593 9.907 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.857 1.247 8.690 1.00 0.00 C ATOM 0 HA LEU A 3 4.555 -0.952 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.799 -0.516 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.140 -2.004 7.523 1.00 0.00 H new ATOM 0 HG LEU A 3 1.101 -0.701 9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.744 -0.076 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.056 -1.668 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.054 -0.268 9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.612 1.635 9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.768 1.724 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.038 1.461 8.003 1.00 0.00 H new ATOM 89 N ARG A 4 4.119 -3.363 6.618 1.00 0.00 N ATOM 90 CA ARG A 4 4.477 -4.653 5.987 1.00 0.00 C ATOM 91 C ARG A 4 3.302 -5.638 5.888 1.00 0.00 C ATOM 92 O ARG A 4 2.321 -5.498 6.620 1.00 0.00 O ATOM 93 CB ARG A 4 5.679 -5.287 6.731 1.00 0.00 C ATOM 94 CG ARG A 4 5.459 -5.519 8.240 1.00 0.00 C ATOM 95 CD ARG A 4 6.138 -4.455 9.120 1.00 0.00 C ATOM 96 NE ARG A 4 7.535 -4.815 9.439 1.00 0.00 N ATOM 97 CZ ARG A 4 8.401 -4.101 10.152 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.128 -2.886 10.565 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.571 -4.607 10.471 1.00 0.00 N ATOM 0 H ARG A 4 3.768 -3.482 7.568 1.00 0.00 H new ATOM 0 HA ARG A 4 4.759 -4.434 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.915 -6.242 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.549 -4.644 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.389 -5.525 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.842 -6.503 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.119 -3.493 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.574 -4.334 10.045 1.00 0.00 H new ATOM 0 HE ARG A 4 7.871 -5.706 9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.228 -2.461 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.816 -2.366 11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.817 -5.550 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.233 -4.056 11.018 1.00 0.00 H new ATOM 113 N ILE A 5 3.429 -6.688 5.056 1.00 0.00 N ATOM 114 CA ILE A 5 2.396 -7.741 4.887 1.00 0.00 C ATOM 115 C ILE A 5 1.972 -8.339 6.223 1.00 0.00 C ATOM 116 O ILE A 5 0.783 -8.474 6.495 1.00 0.00 O ATOM 117 CB ILE A 5 2.816 -8.831 3.855 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.582 -9.501 3.199 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.844 -9.864 4.352 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.898 -10.636 3.978 1.00 0.00 C ATOM 0 H ILE A 5 4.255 -6.836 4.476 1.00 0.00 H new ATOM 0 HA ILE A 5 1.517 -7.252 4.467 1.00 0.00 H new ATOM 0 HB ILE A 5 3.360 -8.279 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.839 -8.727 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.887 -9.894 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.063 -10.573 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.761 -9.353 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.437 -10.399 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.051 -11.013 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.611 -11.443 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.546 -10.258 4.938 1.00 0.00 H new ATOM 132 N ARG A 6 2.955 -8.608 7.086 1.00 0.00 N ATOM 133 CA ARG A 6 2.779 -9.132 8.437 1.00 0.00 C ATOM 134 C ARG A 6 1.849 -8.241 9.278 1.00 0.00 C ATOM 135 O ARG A 6 1.031 -8.771 10.022 1.00 0.00 O ATOM 136 CB ARG A 6 4.182 -9.344 9.048 1.00 0.00 C ATOM 137 CG ARG A 6 4.331 -10.677 9.798 1.00 0.00 C ATOM 138 CD ARG A 6 5.818 -11.069 9.885 1.00 0.00 C ATOM 139 NE ARG A 6 6.059 -12.226 10.770 1.00 0.00 N ATOM 140 CZ ARG A 6 5.810 -13.511 10.535 1.00 0.00 C ATOM 141 NH1 ARG A 6 5.247 -13.929 9.424 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.131 -14.413 11.431 1.00 0.00 N ATOM 0 H ARG A 6 3.936 -8.459 6.849 1.00 0.00 H new ATOM 0 HA ARG A 6 2.269 -10.095 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.926 -9.299 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.398 -8.525 9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.910 -10.589 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.770 -11.458 9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.186 -11.300 8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.392 -10.216 10.247 1.00 0.00 H new ATOM 0 HE ARG A 6 6.469 -12.012 11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.984 -13.258 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.073 -14.924 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.571 -14.128 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.941 -15.399 11.253 1.00 0.00 H new ATOM 156 N THR A 7 1.906 -6.911 9.108 1.00 0.00 N ATOM 157 CA THR A 7 0.986 -5.946 9.731 1.00 0.00 C ATOM 158 C THR A 7 -0.401 -5.964 9.079 1.00 0.00 C ATOM 159 O THR A 7 -1.395 -6.002 9.802 1.00 0.00 O ATOM 160 CB THR A 7 1.550 -4.513 9.698 1.00 0.00 C ATOM 161 OG1 THR A 7 2.779 -4.449 10.383 1.00 0.00 O ATOM 162 CG2 THR A 7 0.610 -3.515 10.380 1.00 0.00 C ATOM 0 H THR A 7 2.610 -6.466 8.519 1.00 0.00 H new ATOM 0 HA THR A 7 0.883 -6.260 10.770 1.00 0.00 H new ATOM 0 HB THR A 7 1.669 -4.256 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.398 -3.869 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.045 -2.516 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.353 -3.515 9.869 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.468 -3.802 11.422 1.00 0.00 H new ATOM 170 N ILE A 8 -0.493 -5.942 7.739 1.00 0.00 N ATOM 171 CA ILE A 8 -1.792 -6.003 7.041 1.00 0.00 C ATOM 172 C ILE A 8 -2.541 -7.291 7.422 1.00 0.00 C ATOM 173 O ILE A 8 -3.722 -7.254 7.760 1.00 0.00 O ATOM 174 CB ILE A 8 -1.652 -5.881 5.503 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.852 -4.621 5.101 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.056 -5.841 4.864 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.758 -4.388 3.586 1.00 0.00 C ATOM 0 H ILE A 8 0.313 -5.883 7.117 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.373 -5.141 7.368 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.102 -6.749 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.315 -3.749 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.156 -4.700 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.961 -5.755 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.594 -6.757 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.607 -4.983 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.181 -3.484 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.267 -5.240 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.760 -4.274 3.173 1.00 0.00 H new ATOM 189 N ALA A 9 -1.846 -8.431 7.405 1.00 0.00 N ATOM 190 CA ALA A 9 -2.397 -9.718 7.798 1.00 0.00 C ATOM 191 C ALA A 9 -2.828 -9.738 9.273 1.00 0.00 C ATOM 192 O ALA A 9 -3.946 -10.167 9.564 1.00 0.00 O ATOM 193 CB ALA A 9 -1.366 -10.801 7.493 1.00 0.00 C ATOM 0 H ALA A 9 -0.870 -8.480 7.112 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.304 -9.908 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.764 -11.774 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.144 -10.802 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.452 -10.602 8.053 1.00 0.00 H new ATOM 199 N ARG A 10 -1.995 -9.209 10.191 1.00 0.00 N ATOM 200 CA ARG A 10 -2.293 -9.057 11.629 1.00 0.00 C ATOM 201 C ARG A 10 -3.613 -8.344 11.948 1.00 0.00 C ATOM 202 O ARG A 10 -4.091 -8.483 13.070 1.00 0.00 O ATOM 203 CB ARG A 10 -1.137 -8.330 12.341 1.00 0.00 C ATOM 204 CG ARG A 10 -0.073 -9.275 12.915 1.00 0.00 C ATOM 205 CD ARG A 10 1.102 -8.433 13.431 1.00 0.00 C ATOM 206 NE ARG A 10 2.039 -9.228 14.245 1.00 0.00 N ATOM 207 CZ ARG A 10 2.840 -8.770 15.202 1.00 0.00 C ATOM 208 NH1 ARG A 10 2.912 -7.492 15.498 1.00 0.00 N ATOM 209 NH2 ARG A 10 3.592 -9.597 15.890 1.00 0.00 N ATOM 0 H ARG A 10 -1.067 -8.865 9.944 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.405 -10.076 12.000 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.661 -7.647 11.637 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.545 -7.723 13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.494 -9.872 13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.268 -9.971 12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.635 -7.999 12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.719 -7.604 14.026 1.00 0.00 H new ATOM 0 HE ARG A 10 2.077 -10.229 14.055 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.342 -6.817 14.987 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.537 -7.174 16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.564 -10.597 15.692 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.205 -9.240 16.623 1.00 0.00 H new ATOM 223 N MET A 11 -4.247 -7.651 10.992 1.00 0.00 N ATOM 224 CA MET A 11 -5.610 -7.141 11.164 1.00 0.00 C ATOM 225 C MET A 11 -6.650 -8.232 11.454 1.00 0.00 C ATOM 226 O MET A 11 -7.691 -7.927 12.037 1.00 0.00 O ATOM 227 CB MET A 11 -6.064 -6.364 9.920 1.00 0.00 C ATOM 228 CG MET A 11 -5.253 -5.085 9.705 1.00 0.00 C ATOM 229 SD MET A 11 -6.235 -3.672 9.142 1.00 0.00 S ATOM 230 CE MET A 11 -5.214 -2.388 9.901 1.00 0.00 C ATOM 0 H MET A 11 -3.832 -7.431 10.086 1.00 0.00 H new ATOM 0 HA MET A 11 -5.559 -6.489 12.036 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.970 -7.003 9.042 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.119 -6.110 10.018 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.758 -4.820 10.639 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.469 -5.283 8.974 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.380 -1.441 9.388 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.483 -2.283 10.952 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.163 -2.665 9.821 1.00 0.00 H new ATOM 240 N THR A 12 -6.451 -9.480 11.002 1.00 0.00 N ATOM 241 CA THR A 12 -7.409 -10.589 11.240 1.00 0.00 C ATOM 242 C THR A 12 -6.817 -11.995 11.037 1.00 0.00 C ATOM 243 O THR A 12 -7.392 -12.973 11.504 1.00 0.00 O ATOM 244 CB THR A 12 -8.652 -10.446 10.323 1.00 0.00 C ATOM 245 OG1 THR A 12 -9.217 -9.156 10.392 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.809 -11.382 10.677 1.00 0.00 C ATOM 0 H THR A 12 -5.629 -9.755 10.464 1.00 0.00 H new ATOM 0 HA THR A 12 -7.681 -10.500 12.292 1.00 0.00 H new ATOM 0 HB THR A 12 -8.250 -10.684 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.930 -8.717 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.636 -11.216 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.476 -12.417 10.601 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.141 -11.181 11.696 1.00 0.00 H new ATOM 254 N GLY A 13 -5.708 -12.148 10.307 1.00 0.00 N ATOM 255 CA GLY A 13 -5.121 -13.441 9.942 1.00 0.00 C ATOM 256 C GLY A 13 -5.883 -14.175 8.834 1.00 0.00 C ATOM 257 O GLY A 13 -5.244 -14.694 7.925 1.00 0.00 O ATOM 0 H GLY A 13 -5.180 -11.355 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.092 -13.284 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.085 -14.076 10.827 1.00 0.00 H new ATOM 261 N ILE A 14 -7.227 -14.161 8.836 1.00 0.00 N ATOM 262 CA ILE A 14 -8.069 -14.784 7.790 1.00 0.00 C ATOM 263 C ILE A 14 -7.643 -14.342 6.379 1.00 0.00 C ATOM 264 O ILE A 14 -7.550 -15.145 5.455 1.00 0.00 O ATOM 265 CB ILE A 14 -9.575 -14.532 8.088 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.501 -15.669 7.592 1.00 0.00 C ATOM 267 CG2 ILE A 14 -10.099 -13.151 7.644 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.867 -15.691 6.100 1.00 0.00 C ATOM 0 H ILE A 14 -7.770 -13.711 9.573 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.917 -15.863 7.813 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.616 -14.530 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.025 -16.619 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.428 -15.621 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.157 -13.066 7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.542 -12.368 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.969 -13.042 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.519 -16.541 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.383 -14.767 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.959 -15.781 5.504 1.00 0.00 H new ATOM 280 N ARG A 15 -7.304 -13.054 6.244 1.00 0.00 N ATOM 281 CA ARG A 15 -6.836 -12.432 5.007 1.00 0.00 C ATOM 282 C ARG A 15 -5.437 -12.898 4.606 1.00 0.00 C ATOM 283 O ARG A 15 -5.125 -12.786 3.432 1.00 0.00 O ATOM 284 CB ARG A 15 -6.842 -10.901 5.154 1.00 0.00 C ATOM 285 CG ARG A 15 -8.219 -10.319 5.519 1.00 0.00 C ATOM 286 CD ARG A 15 -8.061 -8.987 6.263 1.00 0.00 C ATOM 287 NE ARG A 15 -9.298 -8.622 6.976 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.512 -7.511 7.668 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.647 -6.524 7.673 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.605 -7.380 8.379 1.00 0.00 N ATOM 0 H ARG A 15 -7.351 -12.396 7.022 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.523 -12.739 4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.122 -10.616 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.505 -10.454 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.808 -10.169 4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.766 -11.027 6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.237 -9.060 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.802 -8.201 5.554 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.067 -9.291 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.784 -6.600 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.838 -5.681 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.293 -8.133 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.768 -6.525 8.911 1.00 0.00 H new ATOM 304 N GLU A 16 -4.597 -13.425 5.506 1.00 0.00 N ATOM 305 CA GLU A 16 -3.208 -13.800 5.193 1.00 0.00 C ATOM 306 C GLU A 16 -3.139 -14.825 4.061 1.00 0.00 C ATOM 307 O GLU A 16 -2.408 -14.621 3.092 1.00 0.00 O ATOM 308 CB GLU A 16 -2.482 -14.344 6.433 1.00 0.00 C ATOM 309 CG GLU A 16 -0.954 -14.287 6.243 1.00 0.00 C ATOM 310 CD GLU A 16 -0.258 -15.557 6.733 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.076 -15.671 7.965 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.107 -16.376 5.861 1.00 0.00 O ATOM 0 H GLU A 16 -4.860 -13.605 6.475 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.705 -12.891 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.766 -13.762 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.792 -15.372 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.727 -14.136 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.556 -13.427 6.781 1.00 0.00 H new ATOM 319 N ALA A 17 -3.976 -15.867 4.152 1.00 0.00 N ATOM 320 CA ALA A 17 -4.149 -16.893 3.128 1.00 0.00 C ATOM 321 C ALA A 17 -4.472 -16.291 1.750 1.00 0.00 C ATOM 322 O ALA A 17 -4.039 -16.808 0.725 1.00 0.00 O ATOM 323 CB ALA A 17 -5.271 -17.830 3.597 1.00 0.00 C ATOM 0 H ALA A 17 -4.568 -16.019 4.969 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.216 -17.442 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.427 -18.611 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.992 -18.285 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.192 -17.260 3.724 1.00 0.00 H new ATOM 329 N THR A 18 -5.199 -15.171 1.740 1.00 0.00 N ATOM 330 CA THR A 18 -5.600 -14.408 0.562 1.00 0.00 C ATOM 331 C THR A 18 -4.504 -13.433 0.108 1.00 0.00 C ATOM 332 O THR A 18 -4.200 -13.406 -1.076 1.00 0.00 O ATOM 333 CB THR A 18 -6.946 -13.734 0.871 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.972 -14.662 0.606 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.260 -12.497 0.051 1.00 0.00 C ATOM 0 H THR A 18 -5.541 -14.751 2.604 1.00 0.00 H new ATOM 0 HA THR A 18 -5.735 -15.070 -0.294 1.00 0.00 H new ATOM 0 HB THR A 18 -6.879 -13.418 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.841 -14.252 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.231 -12.100 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.492 -11.743 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.283 -12.758 -1.007 1.00 0.00 H new ATOM 343 N LEU A 19 -3.863 -12.682 1.014 1.00 0.00 N ATOM 344 CA LEU A 19 -2.752 -11.760 0.736 1.00 0.00 C ATOM 345 C LEU A 19 -1.558 -12.515 0.126 1.00 0.00 C ATOM 346 O LEU A 19 -1.037 -12.131 -0.923 1.00 0.00 O ATOM 347 CB LEU A 19 -2.327 -11.039 2.037 1.00 0.00 C ATOM 348 CG LEU A 19 -3.399 -10.134 2.687 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.152 -9.904 4.186 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.467 -8.761 2.027 1.00 0.00 C ATOM 0 H LEU A 19 -4.115 -12.701 2.002 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.089 -11.017 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.025 -11.792 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.448 -10.432 1.823 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.336 -10.672 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.935 -9.262 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.163 -10.861 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.183 -9.426 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.233 -8.160 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.501 -8.264 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.715 -8.876 0.972 1.00 0.00 H new ATOM 362 N ARG A 20 -1.139 -13.619 0.764 1.00 0.00 N ATOM 363 CA ARG A 20 -0.061 -14.486 0.273 1.00 0.00 C ATOM 364 C ARG A 20 -0.440 -15.215 -1.020 1.00 0.00 C ATOM 365 O ARG A 20 0.425 -15.382 -1.878 1.00 0.00 O ATOM 366 CB ARG A 20 0.365 -15.473 1.376 1.00 0.00 C ATOM 367 CG ARG A 20 1.162 -14.800 2.509 1.00 0.00 C ATOM 368 CD ARG A 20 2.586 -14.377 2.102 1.00 0.00 C ATOM 369 NE ARG A 20 3.474 -15.535 1.877 1.00 0.00 N ATOM 370 CZ ARG A 20 3.870 -16.058 0.720 1.00 0.00 C ATOM 371 NH1 ARG A 20 3.496 -15.592 -0.445 1.00 0.00 N ATOM 372 NH2 ARG A 20 4.688 -17.085 0.712 1.00 0.00 N ATOM 0 H ARG A 20 -1.545 -13.937 1.644 1.00 0.00 H new ATOM 0 HA ARG A 20 0.790 -13.852 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.523 -15.947 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.970 -16.265 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.616 -13.921 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.224 -15.486 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.538 -13.777 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.010 -13.743 2.880 1.00 0.00 H new ATOM 0 HE ARG A 20 3.829 -15.993 2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.870 -14.788 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.831 -16.033 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.019 -17.480 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.993 -17.487 -0.174 1.00 0.00 H new ATOM 386 N ALA A 21 -1.715 -15.583 -1.207 1.00 0.00 N ATOM 387 CA ALA A 21 -2.212 -16.066 -2.495 1.00 0.00 C ATOM 388 C ALA A 21 -2.162 -14.978 -3.576 1.00 0.00 C ATOM 389 O ALA A 21 -1.690 -15.251 -4.680 1.00 0.00 O ATOM 390 CB ALA A 21 -3.634 -16.616 -2.351 1.00 0.00 C ATOM 0 H ALA A 21 -2.423 -15.553 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.552 -16.873 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.987 -16.971 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.634 -17.442 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.294 -15.827 -1.991 1.00 0.00 H new ATOM 396 N TRP A 22 -2.610 -13.750 -3.283 1.00 0.00 N ATOM 397 CA TRP A 22 -2.571 -12.627 -4.219 1.00 0.00 C ATOM 398 C TRP A 22 -1.173 -12.352 -4.746 1.00 0.00 C ATOM 399 O TRP A 22 -1.046 -12.080 -5.936 1.00 0.00 O ATOM 400 CB TRP A 22 -3.120 -11.344 -3.616 1.00 0.00 C ATOM 401 CG TRP A 22 -4.572 -11.268 -3.287 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.558 -12.002 -3.847 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.224 -10.352 -2.358 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.773 -11.578 -3.354 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.624 -10.562 -2.442 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.786 -9.349 -1.469 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.540 -9.828 -1.685 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.700 -8.598 -0.705 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.079 -8.842 -0.799 1.00 0.00 C ATOM 0 H TRP A 22 -3.014 -13.509 -2.378 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.210 -12.935 -5.047 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.563 -11.146 -2.700 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.896 -10.532 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.417 -12.795 -4.567 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.672 -11.970 -3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.728 -9.153 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.599 -10.018 -1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.337 -7.828 -0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.776 -8.278 -0.197 1.00 0.00 H new ATOM 420 N GLU A 23 -0.139 -12.485 -3.908 1.00 0.00 N ATOM 421 CA GLU A 23 1.262 -12.362 -4.317 1.00 0.00 C ATOM 422 C GLU A 23 1.639 -13.290 -5.493 1.00 0.00 C ATOM 423 O GLU A 23 2.529 -12.954 -6.271 1.00 0.00 O ATOM 424 CB GLU A 23 2.169 -12.641 -3.109 1.00 0.00 C ATOM 425 CG GLU A 23 3.426 -11.755 -3.139 1.00 0.00 C ATOM 426 CD GLU A 23 4.518 -12.197 -2.159 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.343 -13.241 -1.491 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.541 -11.468 -2.092 1.00 0.00 O ATOM 0 H GLU A 23 -0.255 -12.684 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 23 1.406 -11.343 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.616 -12.461 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.461 -13.691 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.836 -11.756 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.141 -10.728 -2.911 1.00 0.00 H new ATOM 435 N ARG A 24 0.936 -14.425 -5.654 1.00 0.00 N ATOM 436 CA ARG A 24 1.061 -15.358 -6.787 1.00 0.00 C ATOM 437 C ARG A 24 -0.076 -15.239 -7.815 1.00 0.00 C ATOM 438 O ARG A 24 0.167 -15.494 -8.990 1.00 0.00 O ATOM 439 CB ARG A 24 1.164 -16.799 -6.253 1.00 0.00 C ATOM 440 CG ARG A 24 2.580 -17.127 -5.747 1.00 0.00 C ATOM 441 CD ARG A 24 2.655 -18.512 -5.085 1.00 0.00 C ATOM 442 NE ARG A 24 2.348 -19.608 -6.028 1.00 0.00 N ATOM 443 CZ ARG A 24 1.971 -20.845 -5.723 1.00 0.00 C ATOM 444 NH1 ARG A 24 1.818 -21.240 -4.480 1.00 0.00 N ATOM 445 NH2 ARG A 24 1.739 -21.720 -6.672 1.00 0.00 N ATOM 0 H ARG A 24 0.240 -14.729 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 24 1.970 -15.088 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.448 -16.937 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.890 -17.499 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.280 -17.087 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.893 -16.367 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.653 -18.661 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.956 -18.550 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 24 2.435 -19.391 -7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.990 -20.590 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.527 -22.197 -4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.848 -21.452 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.450 -22.668 -6.432 1.00 0.00 H new ATOM 459 N ARG A 25 -1.300 -14.866 -7.406 1.00 0.00 N ATOM 460 CA ARG A 25 -2.471 -14.701 -8.290 1.00 0.00 C ATOM 461 C ARG A 25 -2.451 -13.407 -9.127 1.00 0.00 C ATOM 462 O ARG A 25 -2.880 -13.453 -10.276 1.00 0.00 O ATOM 463 CB ARG A 25 -3.782 -14.733 -7.484 1.00 0.00 C ATOM 464 CG ARG A 25 -4.298 -16.099 -7.007 1.00 0.00 C ATOM 465 CD ARG A 25 -5.620 -15.865 -6.248 1.00 0.00 C ATOM 466 NE ARG A 25 -6.202 -17.101 -5.692 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.961 -17.995 -6.318 1.00 0.00 C ATOM 468 NH1 ARG A 25 -7.257 -17.892 -7.593 1.00 0.00 N ATOM 469 NH2 ARG A 25 -7.443 -19.023 -5.658 1.00 0.00 N ATOM 0 H ARG A 25 -1.510 -14.665 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.417 -15.543 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.651 -14.100 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.561 -14.275 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.457 -16.765 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.565 -16.579 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.445 -15.158 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.341 -15.404 -6.923 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.998 -17.292 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.901 -17.106 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.843 -18.598 -8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.235 -19.135 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.025 -19.709 -6.138 1.00 0.00 H new ATOM 483 N TYR A 26 -2.019 -12.267 -8.562 1.00 0.00 N ATOM 484 CA TYR A 26 -2.115 -10.935 -9.204 1.00 0.00 C ATOM 485 C TYR A 26 -0.956 -9.984 -8.869 1.00 0.00 C ATOM 486 O TYR A 26 -0.509 -9.238 -9.736 1.00 0.00 O ATOM 487 CB TYR A 26 -3.407 -10.197 -8.791 1.00 0.00 C ATOM 488 CG TYR A 26 -4.682 -11.010 -8.776 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.434 -11.196 -9.953 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.103 -11.593 -7.568 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.589 -12.001 -9.931 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.246 -12.410 -7.548 1.00 0.00 C ATOM 493 CZ TYR A 26 -6.986 -12.624 -8.729 1.00 0.00 C ATOM 494 OH TYR A 26 -8.069 -13.445 -8.712 1.00 0.00 O ATOM 0 H TYR A 26 -1.588 -12.239 -7.638 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.095 -11.165 -10.269 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.257 -9.782 -7.794 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.549 -9.355 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.124 -10.721 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.550 -11.413 -6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.169 -12.141 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.559 -12.876 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.832 -14.290 -8.277 1.00 0.00 H new ATOM 504 N GLY A 27 -0.531 -9.954 -7.599 1.00 0.00 N ATOM 505 CA GLY A 27 0.468 -9.040 -7.051 1.00 0.00 C ATOM 506 C GLY A 27 -0.076 -7.929 -6.141 1.00 0.00 C ATOM 507 O GLY A 27 0.732 -7.165 -5.639 1.00 0.00 O ATOM 0 H GLY A 27 -0.894 -10.598 -6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.196 -9.623 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.003 -8.576 -7.880 1.00 0.00 H new ATOM 511 N PHE A 28 -1.394 -7.806 -5.923 1.00 0.00 N ATOM 512 CA PHE A 28 -2.013 -6.809 -5.025 1.00 0.00 C ATOM 513 C PHE A 28 -2.094 -7.319 -3.563 1.00 0.00 C ATOM 514 O PHE A 28 -2.435 -8.479 -3.373 1.00 0.00 O ATOM 515 CB PHE A 28 -3.417 -6.501 -5.568 1.00 0.00 C ATOM 516 CG PHE A 28 -4.365 -5.754 -4.645 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.169 -6.471 -3.735 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.507 -4.356 -4.740 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.153 -5.812 -2.980 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.474 -3.692 -3.965 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.310 -4.423 -3.103 1.00 0.00 C ATOM 0 H PHE A 28 -2.079 -8.411 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.399 -5.908 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.306 -5.919 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.887 -7.444 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.027 -7.535 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.872 -3.794 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.786 -6.372 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.575 -2.619 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.075 -3.915 -2.534 1.00 0.00 H new ATOM 531 N PRO A 29 -1.859 -6.495 -2.520 1.00 0.00 N ATOM 532 CA PRO A 29 -1.216 -5.195 -2.604 1.00 0.00 C ATOM 533 C PRO A 29 0.221 -5.371 -3.096 1.00 0.00 C ATOM 534 O PRO A 29 0.903 -6.331 -2.716 1.00 0.00 O ATOM 535 CB PRO A 29 -1.250 -4.609 -1.194 1.00 0.00 C ATOM 536 CG PRO A 29 -1.272 -5.847 -0.296 1.00 0.00 C ATOM 537 CD PRO A 29 -2.034 -6.880 -1.126 1.00 0.00 C ATOM 0 HA PRO A 29 -1.721 -4.530 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.378 -3.985 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.130 -3.985 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.264 -6.188 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.772 -5.646 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.647 -7.883 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.090 -6.893 -0.856 1.00 0.00 H new ATOM 545 N ARG A 30 0.661 -4.453 -3.958 1.00 0.00 N ATOM 546 CA ARG A 30 1.963 -4.527 -4.618 1.00 0.00 C ATOM 547 C ARG A 30 3.047 -3.931 -3.721 1.00 0.00 C ATOM 548 O ARG A 30 2.884 -2.808 -3.240 1.00 0.00 O ATOM 549 CB ARG A 30 1.918 -3.909 -6.025 1.00 0.00 C ATOM 550 CG ARG A 30 1.546 -2.418 -6.065 1.00 0.00 C ATOM 551 CD ARG A 30 1.502 -1.880 -7.494 1.00 0.00 C ATOM 552 NE ARG A 30 2.857 -1.708 -8.051 1.00 0.00 N ATOM 553 CZ ARG A 30 3.182 -0.983 -9.113 1.00 0.00 C ATOM 554 NH1 ARG A 30 2.272 -0.380 -9.840 1.00 0.00 N ATOM 555 NH2 ARG A 30 4.441 -0.845 -9.460 1.00 0.00 N ATOM 0 H ARG A 30 0.118 -3.630 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 30 2.225 -5.574 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.893 -4.038 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.199 -4.464 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.574 -2.273 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.271 -1.847 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.933 -2.564 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.978 -0.924 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 30 3.617 -2.193 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.286 -0.462 -9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.551 0.171 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.173 -1.296 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.686 -0.287 -10.277 1.00 0.00 H new ATOM 569 N PRO A 31 4.139 -4.668 -3.445 1.00 0.00 N ATOM 570 CA PRO A 31 5.188 -4.151 -2.586 1.00 0.00 C ATOM 571 C PRO A 31 5.862 -2.951 -3.249 1.00 0.00 C ATOM 572 O PRO A 31 6.115 -2.961 -4.457 1.00 0.00 O ATOM 573 CB PRO A 31 6.135 -5.318 -2.320 1.00 0.00 C ATOM 574 CG PRO A 31 5.896 -6.280 -3.482 1.00 0.00 C ATOM 575 CD PRO A 31 4.444 -6.023 -3.883 1.00 0.00 C ATOM 0 HA PRO A 31 4.810 -3.776 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.173 -4.987 -2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.921 -5.792 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.579 -6.084 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.049 -7.316 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.314 -6.123 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.776 -6.745 -3.413 1.00 0.00 H new ATOM 583 N LEU A 32 6.124 -1.903 -2.461 1.00 0.00 N ATOM 584 CA LEU A 32 6.787 -0.704 -2.979 1.00 0.00 C ATOM 585 C LEU A 32 8.218 -1.062 -3.431 1.00 0.00 C ATOM 586 O LEU A 32 8.823 -2.002 -2.910 1.00 0.00 O ATOM 587 CB LEU A 32 6.796 0.449 -1.952 1.00 0.00 C ATOM 588 CG LEU A 32 5.548 0.646 -1.061 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.660 1.974 -0.308 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.208 0.628 -1.804 1.00 0.00 C ATOM 0 H LEU A 32 5.889 -1.861 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 32 6.219 -0.345 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.654 0.303 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.966 1.378 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 32 5.541 -0.213 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.780 2.112 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.553 1.964 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.727 2.793 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.395 0.774 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.191 1.429 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.083 -0.332 -2.306 1.00 0.00 H new ATOM 732 N VAL A 41 6.789 -4.224 1.861 1.00 0.00 N ATOM 733 CA VAL A 41 6.509 -2.834 2.233 1.00 0.00 C ATOM 734 C VAL A 41 5.307 -2.311 1.451 1.00 0.00 C ATOM 735 O VAL A 41 5.214 -2.533 0.245 1.00 0.00 O ATOM 736 CB VAL A 41 7.731 -1.919 2.014 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.820 -2.189 3.057 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.354 -2.023 0.613 1.00 0.00 C ATOM 0 HA VAL A 41 6.279 -2.820 3.298 1.00 0.00 H new ATOM 0 HB VAL A 41 7.340 -0.907 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.668 -1.529 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.422 -2.004 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.146 -3.227 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.207 -1.348 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.686 -3.046 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.612 -1.749 -0.137 1.00 0.00 H new ATOM 748 N TYR A 42 4.400 -1.608 2.133 1.00 0.00 N ATOM 749 CA TYR A 42 3.154 -1.089 1.571 1.00 0.00 C ATOM 750 C TYR A 42 2.799 0.307 2.099 1.00 0.00 C ATOM 751 O TYR A 42 3.366 0.791 3.084 1.00 0.00 O ATOM 752 CB TYR A 42 2.014 -2.065 1.891 1.00 0.00 C ATOM 753 CG TYR A 42 2.227 -3.484 1.411 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.372 -3.757 0.038 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.218 -4.540 2.337 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.485 -5.085 -0.405 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.245 -5.864 1.874 1.00 0.00 C ATOM 758 CZ TYR A 42 2.379 -6.148 0.506 1.00 0.00 C ATOM 759 OH TYR A 42 2.332 -7.433 0.061 1.00 0.00 O ATOM 0 H TYR A 42 4.517 -1.378 3.120 1.00 0.00 H new ATOM 0 HA TYR A 42 3.294 -0.996 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.864 -2.082 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.095 -1.683 1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.396 -2.946 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.191 -4.334 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.654 -5.290 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.161 -6.677 2.580 1.00 0.00 H new ATOM 0 HH TYR A 42 2.260 -8.042 0.826 1.00 0.00 H new ATOM 769 N SER A 43 1.803 0.915 1.444 1.00 0.00 N ATOM 770 CA SER A 43 1.276 2.255 1.703 1.00 0.00 C ATOM 771 C SER A 43 -0.194 2.204 2.146 1.00 0.00 C ATOM 772 O SER A 43 -0.894 1.207 1.940 1.00 0.00 O ATOM 773 CB SER A 43 1.434 3.083 0.420 1.00 0.00 C ATOM 774 OG SER A 43 1.074 4.434 0.625 1.00 0.00 O ATOM 0 H SER A 43 1.316 0.456 0.674 1.00 0.00 H new ATOM 0 HA SER A 43 1.832 2.717 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.467 3.029 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.814 2.656 -0.368 1.00 0.00 H new ATOM 0 HG SER A 43 1.188 4.933 -0.211 1.00 0.00 H new ATOM 780 N ARG A 44 -0.681 3.306 2.733 1.00 0.00 N ATOM 781 CA ARG A 44 -2.064 3.453 3.213 1.00 0.00 C ATOM 782 C ARG A 44 -3.093 3.309 2.083 1.00 0.00 C ATOM 783 O ARG A 44 -4.129 2.698 2.299 1.00 0.00 O ATOM 784 CB ARG A 44 -2.212 4.793 3.958 1.00 0.00 C ATOM 785 CG ARG A 44 -3.565 4.944 4.691 1.00 0.00 C ATOM 786 CD ARG A 44 -3.439 4.917 6.221 1.00 0.00 C ATOM 787 NE ARG A 44 -2.787 6.135 6.740 1.00 0.00 N ATOM 788 CZ ARG A 44 -2.458 6.387 8.002 1.00 0.00 C ATOM 789 NH1 ARG A 44 -2.665 5.517 8.962 1.00 0.00 N ATOM 790 NH2 ARG A 44 -1.911 7.535 8.325 1.00 0.00 N ATOM 0 H ARG A 44 -0.113 4.138 2.891 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.273 2.640 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.403 4.889 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.100 5.610 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.030 5.883 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.232 4.142 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.429 4.818 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.865 4.041 6.523 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.566 6.860 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.091 4.615 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.400 5.743 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.737 8.237 7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.660 7.725 9.295 1.00 0.00 H new ATOM 804 N GLU A 45 -2.796 3.818 0.886 1.00 0.00 N ATOM 805 CA GLU A 45 -3.613 3.687 -0.335 1.00 0.00 C ATOM 806 C GLU A 45 -3.854 2.220 -0.740 1.00 0.00 C ATOM 807 O GLU A 45 -4.989 1.827 -1.011 1.00 0.00 O ATOM 808 CB GLU A 45 -2.964 4.477 -1.494 1.00 0.00 C ATOM 809 CG GLU A 45 -1.442 4.250 -1.560 1.00 0.00 C ATOM 810 CD GLU A 45 -0.719 4.821 -2.774 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.276 4.752 -3.890 1.00 0.00 O ATOM 812 OE2 GLU A 45 0.430 5.262 -2.531 1.00 0.00 O ATOM 0 H GLU A 45 -1.944 4.357 0.728 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.593 4.109 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.418 4.175 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.168 5.540 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.994 4.679 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.256 3.177 -1.526 1.00 0.00 H new ATOM 819 N GLU A 46 -2.806 1.391 -0.726 1.00 0.00 N ATOM 820 CA GLU A 46 -2.914 -0.049 -0.953 1.00 0.00 C ATOM 821 C GLU A 46 -3.744 -0.686 0.166 1.00 0.00 C ATOM 822 O GLU A 46 -4.700 -1.410 -0.111 1.00 0.00 O ATOM 823 CB GLU A 46 -1.508 -0.673 -1.040 1.00 0.00 C ATOM 824 CG GLU A 46 -0.794 -0.383 -2.369 1.00 0.00 C ATOM 825 CD GLU A 46 -1.431 -1.162 -3.525 1.00 0.00 C ATOM 826 OE1 GLU A 46 -1.003 -2.318 -3.745 1.00 0.00 O ATOM 827 OE2 GLU A 46 -2.357 -0.620 -4.165 1.00 0.00 O ATOM 0 H GLU A 46 -1.851 1.706 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.421 -0.236 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.899 -0.295 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.588 -1.752 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.836 0.685 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.259 -0.650 -2.284 1.00 0.00 H new ATOM 834 N VAL A 47 -3.424 -0.378 1.432 1.00 0.00 N ATOM 835 CA VAL A 47 -4.175 -0.861 2.601 1.00 0.00 C ATOM 836 C VAL A 47 -5.662 -0.470 2.558 1.00 0.00 C ATOM 837 O VAL A 47 -6.492 -1.292 2.929 1.00 0.00 O ATOM 838 CB VAL A 47 -3.496 -0.423 3.914 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.351 -0.700 5.160 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.182 -1.193 4.095 1.00 0.00 C ATOM 0 H VAL A 47 -2.632 0.217 1.675 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.155 -1.950 2.565 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.340 0.652 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.816 -0.368 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.294 -0.159 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.551 -1.769 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.703 -0.882 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.389 -2.262 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.518 -0.982 3.256 1.00 0.00 H new ATOM 850 N GLU A 48 -6.021 0.730 2.094 1.00 0.00 N ATOM 851 CA GLU A 48 -7.401 1.198 1.904 1.00 0.00 C ATOM 852 C GLU A 48 -8.181 0.244 0.989 1.00 0.00 C ATOM 853 O GLU A 48 -9.201 -0.327 1.396 1.00 0.00 O ATOM 854 CB GLU A 48 -7.370 2.625 1.322 1.00 0.00 C ATOM 855 CG GLU A 48 -8.753 3.265 1.129 1.00 0.00 C ATOM 856 CD GLU A 48 -9.030 4.307 2.213 1.00 0.00 C ATOM 857 OE1 GLU A 48 -8.627 5.474 2.006 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.622 3.914 3.243 1.00 0.00 O ATOM 0 H GLU A 48 -5.331 1.433 1.829 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.914 1.214 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.779 3.260 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.858 2.600 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.807 3.734 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.522 2.493 1.156 1.00 0.00 H new ATOM 865 N ALA A 49 -7.673 0.040 -0.234 1.00 0.00 N ATOM 866 CA ALA A 49 -8.232 -0.918 -1.177 1.00 0.00 C ATOM 867 C ALA A 49 -8.281 -2.324 -0.566 1.00 0.00 C ATOM 868 O ALA A 49 -9.334 -2.959 -0.577 1.00 0.00 O ATOM 869 CB ALA A 49 -7.413 -0.879 -2.469 1.00 0.00 C ATOM 0 H ALA A 49 -6.859 0.541 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.262 -0.647 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.824 -1.594 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.454 0.123 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.377 -1.139 -2.251 1.00 0.00 H new ATOM 875 N VAL A 50 -7.170 -2.801 0.008 1.00 0.00 N ATOM 876 CA VAL A 50 -7.076 -4.126 0.634 1.00 0.00 C ATOM 877 C VAL A 50 -8.102 -4.317 1.746 1.00 0.00 C ATOM 878 O VAL A 50 -8.758 -5.353 1.750 1.00 0.00 O ATOM 879 CB VAL A 50 -5.655 -4.391 1.150 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.561 -5.644 2.030 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.693 -4.588 -0.018 1.00 0.00 C ATOM 0 H VAL A 50 -6.300 -2.271 0.051 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.305 -4.858 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.391 -3.518 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.532 -5.778 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.212 -5.529 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.872 -6.516 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.690 -4.775 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.017 -5.439 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.684 -3.691 -0.637 1.00 0.00 H new ATOM 891 N ARG A 51 -8.284 -3.352 2.662 1.00 0.00 N ATOM 892 CA ARG A 51 -9.321 -3.397 3.703 1.00 0.00 C ATOM 893 C ARG A 51 -10.707 -3.609 3.090 1.00 0.00 C ATOM 894 O ARG A 51 -11.445 -4.481 3.552 1.00 0.00 O ATOM 895 CB ARG A 51 -9.341 -2.111 4.547 1.00 0.00 C ATOM 896 CG ARG A 51 -8.289 -2.011 5.669 1.00 0.00 C ATOM 897 CD ARG A 51 -8.900 -1.151 6.785 1.00 0.00 C ATOM 898 NE ARG A 51 -7.926 -0.675 7.781 1.00 0.00 N ATOM 899 CZ ARG A 51 -8.242 -0.073 8.925 1.00 0.00 C ATOM 900 NH1 ARG A 51 -9.483 -0.013 9.355 1.00 0.00 N ATOM 901 NH2 ARG A 51 -7.323 0.503 9.662 1.00 0.00 N ATOM 0 H ARG A 51 -7.709 -2.510 2.700 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.074 -4.239 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.208 -1.261 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.329 -2.012 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.030 -3.001 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.369 -1.561 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.394 -0.289 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.670 -1.730 7.294 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.936 -0.817 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.233 -0.435 8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.695 0.455 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.348 0.494 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.583 0.960 10.536 1.00 0.00 H new ATOM 915 N ARG A 52 -11.048 -2.827 2.054 1.00 0.00 N ATOM 916 CA ARG A 52 -12.295 -2.991 1.296 1.00 0.00 C ATOM 917 C ARG A 52 -12.393 -4.386 0.691 1.00 0.00 C ATOM 918 O ARG A 52 -13.325 -5.103 1.040 1.00 0.00 O ATOM 919 CB ARG A 52 -12.459 -1.888 0.238 1.00 0.00 C ATOM 920 CG ARG A 52 -12.924 -0.584 0.897 1.00 0.00 C ATOM 921 CD ARG A 52 -13.114 0.551 -0.124 1.00 0.00 C ATOM 922 NE ARG A 52 -14.535 0.818 -0.433 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.445 1.346 0.379 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.165 1.661 1.624 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.667 1.568 -0.045 1.00 0.00 N ATOM 0 H ARG A 52 -10.464 -2.061 1.719 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.126 -2.885 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.513 -1.726 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.182 -2.201 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.864 -0.759 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.194 -0.277 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.655 1.461 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.589 0.296 -1.045 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.851 0.570 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.227 1.502 1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.886 2.065 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.924 1.335 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.359 1.974 0.585 1.00 0.00 H new ATOM 939 N VAL A 53 -11.433 -4.789 -0.151 1.00 0.00 N ATOM 940 CA VAL A 53 -11.384 -6.114 -0.794 1.00 0.00 C ATOM 941 C VAL A 53 -11.525 -7.249 0.233 1.00 0.00 C ATOM 942 O VAL A 53 -12.361 -8.135 0.068 1.00 0.00 O ATOM 943 CB VAL A 53 -10.102 -6.268 -1.647 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.028 -7.676 -2.241 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.026 -5.236 -2.786 1.00 0.00 C ATOM 0 H VAL A 53 -10.649 -4.191 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.239 -6.188 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.258 -6.094 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.122 -7.771 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.010 -8.410 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.899 -7.851 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.108 -5.388 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.885 -5.358 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.031 -4.230 -2.366 1.00 0.00 H new ATOM 955 N ALA A 54 -10.745 -7.203 1.316 1.00 0.00 N ATOM 956 CA ALA A 54 -10.782 -8.137 2.435 1.00 0.00 C ATOM 957 C ALA A 54 -12.172 -8.261 3.071 1.00 0.00 C ATOM 958 O ALA A 54 -12.641 -9.376 3.302 1.00 0.00 O ATOM 959 CB ALA A 54 -9.770 -7.670 3.483 1.00 0.00 C ATOM 0 H ALA A 54 -10.038 -6.478 1.438 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.531 -9.127 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.781 -8.356 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.773 -7.653 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.034 -6.669 3.823 1.00 0.00 H new ATOM 965 N ARG A 55 -12.833 -7.133 3.372 1.00 0.00 N ATOM 966 CA ARG A 55 -14.195 -7.155 3.916 1.00 0.00 C ATOM 967 C ARG A 55 -15.227 -7.588 2.859 1.00 0.00 C ATOM 968 O ARG A 55 -16.157 -8.308 3.199 1.00 0.00 O ATOM 969 CB ARG A 55 -14.522 -5.800 4.561 1.00 0.00 C ATOM 970 CG ARG A 55 -15.726 -5.927 5.509 1.00 0.00 C ATOM 971 CD ARG A 55 -16.184 -4.577 6.076 1.00 0.00 C ATOM 972 NE ARG A 55 -15.545 -4.241 7.365 1.00 0.00 N ATOM 973 CZ ARG A 55 -15.967 -3.314 8.221 1.00 0.00 C ATOM 974 NH1 ARG A 55 -16.973 -2.520 7.934 1.00 0.00 N ATOM 975 NH2 ARG A 55 -15.392 -3.169 9.393 1.00 0.00 N ATOM 0 H ARG A 55 -12.446 -6.198 3.248 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.251 -7.911 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.655 -5.435 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.739 -5.065 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.555 -6.391 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.465 -6.592 6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.963 -3.792 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.266 -4.593 6.207 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.708 -4.765 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.451 -2.606 7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.277 -1.817 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.612 -3.771 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.726 -2.454 10.040 1.00 0.00 H new ATOM 989 N LEU A 56 -15.026 -7.246 1.581 1.00 0.00 N ATOM 990 CA LEU A 56 -15.819 -7.743 0.448 1.00 0.00 C ATOM 991 C LEU A 56 -15.744 -9.278 0.319 1.00 0.00 C ATOM 992 O LEU A 56 -16.740 -9.942 0.041 1.00 0.00 O ATOM 993 CB LEU A 56 -15.347 -7.060 -0.857 1.00 0.00 C ATOM 994 CG LEU A 56 -16.349 -6.112 -1.536 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.646 -6.818 -1.958 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.639 -4.891 -0.659 1.00 0.00 C ATOM 0 H LEU A 56 -14.289 -6.600 1.298 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.864 -7.491 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.439 -6.498 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.076 -7.838 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.875 -5.766 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.314 -6.099 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.413 -7.616 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.132 -7.241 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.351 -4.240 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.060 -5.218 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.713 -4.345 -0.478 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.570 -9.868 0.562 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.374 -11.325 0.593 1.00 0.00 C ATOM 1010 C ILE A 57 -15.177 -12.011 1.701 1.00 0.00 C ATOM 1011 O ILE A 57 -15.588 -13.154 1.513 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.865 -11.627 0.659 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.315 -11.428 -0.765 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.501 -13.023 1.206 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -10.842 -11.052 -0.763 1.00 0.00 C ATOM 0 H ILE A 57 -13.716 -9.342 0.746 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.771 -11.753 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.411 -10.946 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.454 -12.345 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.887 -10.648 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.417 -13.140 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.884 -13.127 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.944 -13.790 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.498 -10.922 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.705 -10.121 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.265 -11.843 -0.285 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.476 -11.318 2.807 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.431 -11.810 3.801 1.00 0.00 C ATOM 1029 C GLN A 58 -17.878 -11.894 3.271 1.00 0.00 C ATOM 1030 O GLN A 58 -18.694 -12.548 3.913 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.351 -10.974 5.099 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.608 -11.674 6.246 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.247 -13.001 6.654 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.268 -13.049 7.317 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.651 -14.123 6.296 1.00 0.00 N ATOM 0 H GLN A 58 -15.067 -10.412 3.034 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.140 -12.835 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.854 -10.029 4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.362 -10.734 5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.575 -11.852 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.579 -11.011 7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.796 -14.092 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.046 -15.021 6.574 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.206 -11.289 2.118 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.539 -11.396 1.507 1.00 0.00 C ATOM 1046 C GLU A 59 -19.658 -12.613 0.571 1.00 0.00 C ATOM 1047 O GLU A 59 -20.671 -13.305 0.616 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.927 -10.094 0.779 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.687 -8.843 1.643 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.531 -7.650 1.189 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.051 -6.897 0.312 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -21.639 -7.486 1.749 1.00 0.00 O ATOM 0 H GLU A 59 -17.555 -10.713 1.584 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.247 -11.552 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.351 -10.011 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.978 -10.140 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.918 -9.073 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.631 -8.574 1.603 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.628 -12.903 -0.242 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.593 -14.094 -1.119 1.00 0.00 C ATOM 1061 C GLU A 60 -17.198 -14.695 -1.339 1.00 0.00 C ATOM 1062 O GLU A 60 -17.059 -15.916 -1.368 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.199 -13.782 -2.504 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.683 -14.162 -2.605 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.140 -14.266 -4.066 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.576 -15.124 -4.785 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -22.049 -13.499 -4.450 1.00 0.00 O ATOM 0 H GLU A 60 -17.794 -12.320 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.185 -14.834 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.086 -12.718 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.639 -14.319 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.851 -15.114 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.286 -13.417 -2.086 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.174 -13.865 -1.567 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.810 -14.310 -1.870 1.00 0.00 C ATOM 1076 C GLY A 61 -14.394 -14.118 -3.331 1.00 0.00 C ATOM 1077 O GLY A 61 -13.217 -13.871 -3.586 1.00 0.00 O ATOM 0 H GLY A 61 -16.272 -12.850 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.113 -13.767 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.720 -15.366 -1.615 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.347 -14.119 -4.277 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.159 -13.722 -5.686 1.00 0.00 C ATOM 1083 C LEU A 62 -14.407 -12.386 -5.804 1.00 0.00 C ATOM 1084 O LEU A 62 -13.530 -12.240 -6.656 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.546 -13.709 -6.371 1.00 0.00 C ATOM 1086 CG LEU A 62 -16.756 -12.786 -7.594 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -15.840 -13.081 -8.791 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.203 -12.919 -8.072 1.00 0.00 C ATOM 0 H LEU A 62 -16.305 -14.406 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.525 -14.443 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.771 -14.729 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.285 -13.435 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.511 -11.782 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.061 -12.383 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.799 -12.968 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.009 -14.101 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.362 -12.272 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.400 -13.954 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.880 -12.626 -7.269 1.00 0.00 H new ATOM 1100 N SER A 63 -14.674 -11.454 -4.882 1.00 0.00 N ATOM 1101 CA SER A 63 -13.958 -10.186 -4.733 1.00 0.00 C ATOM 1102 C SER A 63 -12.434 -10.286 -4.588 1.00 0.00 C ATOM 1103 O SER A 63 -11.779 -9.271 -4.807 1.00 0.00 O ATOM 1104 CB SER A 63 -14.564 -9.378 -3.591 1.00 0.00 C ATOM 1105 OG SER A 63 -15.568 -8.527 -4.107 1.00 0.00 O ATOM 0 H SER A 63 -15.421 -11.568 -4.196 1.00 0.00 H new ATOM 0 HA SER A 63 -14.095 -9.671 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.987 -10.046 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.791 -8.790 -3.095 1.00 0.00 H new ATOM 0 HG SER A 63 -15.422 -7.614 -3.782 1.00 0.00 H new ATOM 1111 N VAL A 64 -11.849 -11.473 -4.350 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.436 -11.750 -4.658 1.00 0.00 C ATOM 1113 C VAL A 64 -10.109 -11.291 -6.080 1.00 0.00 C ATOM 1114 O VAL A 64 -9.262 -10.429 -6.254 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.096 -13.248 -4.463 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.819 -13.683 -5.198 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -9.909 -13.583 -2.981 1.00 0.00 C ATOM 0 H VAL A 64 -12.342 -12.266 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.817 -11.187 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.945 -13.787 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.639 -14.743 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.938 -13.511 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.972 -13.104 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.671 -14.641 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.094 -12.985 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.828 -13.361 -2.439 1.00 0.00 H new ATOM 1127 N SER A 65 -10.777 -11.850 -7.091 1.00 0.00 N ATOM 1128 CA SER A 65 -10.587 -11.422 -8.475 1.00 0.00 C ATOM 1129 C SER A 65 -11.358 -10.136 -8.754 1.00 0.00 C ATOM 1130 O SER A 65 -10.813 -9.217 -9.360 1.00 0.00 O ATOM 1131 CB SER A 65 -11.013 -12.536 -9.442 1.00 0.00 C ATOM 1132 OG SER A 65 -9.976 -12.796 -10.372 1.00 0.00 O ATOM 0 H SER A 65 -11.456 -12.602 -6.975 1.00 0.00 H new ATOM 0 HA SER A 65 -9.528 -11.219 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.248 -13.443 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.920 -12.243 -9.970 1.00 0.00 H new ATOM 0 HG SER A 65 -9.110 -12.760 -9.915 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.617 -10.064 -8.306 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.523 -8.969 -8.644 1.00 0.00 C ATOM 1140 C GLU A 66 -13.030 -7.615 -8.137 1.00 0.00 C ATOM 1141 O GLU A 66 -12.900 -6.699 -8.941 1.00 0.00 O ATOM 1142 CB GLU A 66 -14.942 -9.240 -8.123 1.00 0.00 C ATOM 1143 CG GLU A 66 -15.985 -9.138 -9.239 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.417 -9.037 -8.698 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -17.618 -9.298 -7.488 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.284 -8.647 -9.508 1.00 0.00 O ATOM 0 H GLU A 66 -13.034 -10.768 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.546 -8.921 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.982 -10.234 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.182 -8.527 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.770 -8.264 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.906 -10.011 -9.887 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.763 -7.460 -6.834 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.437 -6.156 -6.271 1.00 0.00 C ATOM 1155 C ALA A 67 -10.999 -5.722 -6.609 1.00 0.00 C ATOM 1156 O ALA A 67 -10.738 -4.524 -6.699 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.733 -6.147 -4.773 1.00 0.00 C ATOM 0 H ALA A 67 -12.768 -8.223 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.076 -5.405 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.487 -5.169 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.791 -6.354 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.133 -6.911 -4.279 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.088 -6.673 -6.889 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.792 -6.383 -7.520 1.00 0.00 C ATOM 1165 C ILE A 68 -9.012 -5.874 -8.947 1.00 0.00 C ATOM 1166 O ILE A 68 -8.544 -4.785 -9.276 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.827 -7.594 -7.468 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.436 -7.830 -5.993 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.561 -7.336 -8.315 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.479 -9.002 -5.746 1.00 0.00 C ATOM 0 H ILE A 68 -10.232 -7.662 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.302 -5.595 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.324 -8.472 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.977 -6.920 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.345 -7.998 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.903 -8.203 -8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.846 -7.163 -9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.039 -6.459 -7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.268 -9.081 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.939 -9.927 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.549 -8.832 -6.288 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.721 -6.628 -9.799 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.013 -6.200 -11.165 1.00 0.00 C ATOM 1184 C ALA A 69 -10.737 -4.846 -11.191 1.00 0.00 C ATOM 1185 O ALA A 69 -10.333 -3.979 -11.958 1.00 0.00 O ATOM 1186 CB ALA A 69 -10.792 -7.294 -11.901 1.00 0.00 C ATOM 0 H ALA A 69 -10.103 -7.543 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.071 -6.048 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.006 -6.967 -12.919 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.197 -8.207 -11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.729 -7.488 -11.378 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.725 -4.630 -10.310 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.353 -3.333 -10.057 1.00 0.00 C ATOM 1194 C GLN A 70 -11.302 -2.279 -9.702 1.00 0.00 C ATOM 1195 O GLN A 70 -11.090 -1.388 -10.513 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.440 -3.433 -8.978 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.711 -4.150 -9.471 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.599 -4.619 -8.317 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.781 -3.941 -7.319 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.191 -5.796 -8.415 1.00 0.00 N ATOM 0 H GLN A 70 -12.118 -5.378 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.845 -3.016 -10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.040 -3.966 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.703 -2.430 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.279 -3.477 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.428 -5.008 -10.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.047 -6.372 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.792 -6.129 -7.661 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.597 -2.368 -8.562 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.676 -1.291 -8.153 1.00 0.00 C ATOM 1211 C VAL A 71 -8.531 -1.045 -9.152 1.00 0.00 C ATOM 1212 O VAL A 71 -8.035 0.077 -9.231 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.170 -1.492 -6.709 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.957 -2.427 -6.599 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.823 -0.141 -6.071 1.00 0.00 C ATOM 0 H VAL A 71 -10.644 -3.157 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.262 -0.372 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.990 -1.971 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.661 -2.517 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.219 -3.411 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.128 -2.017 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.468 -0.300 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.043 0.348 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.711 0.491 -6.051 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.128 -2.051 -9.951 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.152 -1.881 -11.039 1.00 0.00 C ATOM 1227 C LYS A 72 -7.740 -1.333 -12.349 1.00 0.00 C ATOM 1228 O LYS A 72 -6.986 -0.735 -13.113 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.428 -3.201 -11.340 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.529 -3.708 -10.197 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.156 -4.226 -10.662 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.229 -5.267 -11.792 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.948 -4.668 -13.122 1.00 0.00 N ATOM 0 H LYS A 72 -8.472 -3.007 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.456 -1.131 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.171 -3.965 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.819 -3.072 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.377 -2.899 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.048 -4.508 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.556 -3.381 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.638 -4.666 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.513 -6.065 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.219 -5.722 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.712 -4.916 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.891 -3.634 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.044 -5.034 -13.484 1.00 0.00 H new ATOM 1247 N THR A 73 -9.024 -1.566 -12.647 1.00 0.00 N ATOM 1248 CA THR A 73 -9.701 -1.054 -13.855 1.00 0.00 C ATOM 1249 C THR A 73 -10.406 0.291 -13.602 1.00 0.00 C ATOM 1250 O THR A 73 -10.603 1.075 -14.527 1.00 0.00 O ATOM 1251 CB THR A 73 -10.647 -2.125 -14.441 1.00 0.00 C ATOM 1252 OG1 THR A 73 -10.764 -1.974 -15.834 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.068 -2.134 -13.876 1.00 0.00 C ATOM 0 H THR A 73 -9.635 -2.123 -12.050 1.00 0.00 H new ATOM 0 HA THR A 73 -8.939 -0.847 -14.606 1.00 0.00 H new ATOM 0 HB THR A 73 -10.174 -3.065 -14.155 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.366 -2.662 -16.188 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.646 -2.924 -14.356 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.031 -2.314 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.541 -1.171 -14.067 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.732 0.594 -12.339 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.107 1.920 -11.856 1.00 0.00 C ATOM 1263 C GLU A 74 -9.951 2.923 -12.050 1.00 0.00 C ATOM 1264 O GLU A 74 -8.780 2.562 -11.900 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.444 1.884 -10.352 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.863 1.424 -9.993 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.061 1.530 -8.467 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.128 2.678 -7.940 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.102 0.456 -7.828 1.00 0.00 O ATOM 0 H GLU A 74 -10.741 -0.109 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.979 2.232 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.733 1.224 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.292 2.882 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.599 2.039 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.019 0.396 -10.321 1.00 0.00 H new