USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -98:sc= -4.12! USER MOD Set 1.2: A 37 MET CE :methyl 175:sc= 0 (180deg=0) USER MOD Set 1.3: A 70 HIS : no HD1:sc= -2.9 K(o=-7,f=-8.5!) USER MOD Single : A 11 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0.039) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= 0.94 (180deg=-0.283) USER MOD Single : A 25 TYR OH : rot -29:sc= -1.61 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.295 K(o=0.29,f=-1.3) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -72:sc=0.000739 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.39 X(o=-5.4,f=-5.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.9!) USER MOD Single : A 74 TYR OH : rot -123:sc= -2.77! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 78 THR OG1 : rot 32:sc= -0.416 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.746 3.492 0.545 1.00 0.00 N ATOM 79 CA VAL A 5 -10.685 2.995 -0.324 1.00 0.00 C ATOM 80 C VAL A 5 -10.210 1.615 0.120 1.00 0.00 C ATOM 81 O VAL A 5 -9.704 0.836 -0.686 1.00 0.00 O ATOM 82 CB VAL A 5 -9.479 3.954 -0.356 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.500 3.546 -1.447 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.941 5.393 -0.552 1.00 0.00 C ATOM 0 HA VAL A 5 -11.109 2.927 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.965 3.891 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.655 4.235 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.142 2.535 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.001 3.576 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.074 6.054 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.482 5.476 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.597 5.680 0.270 1.00 0.00 H new ATOM 94 N ALA A 6 -10.373 1.323 1.407 1.00 0.00 N ATOM 95 CA ALA A 6 -9.956 0.039 1.959 1.00 0.00 C ATOM 96 C ALA A 6 -10.629 -1.124 1.239 1.00 0.00 C ATOM 97 O ALA A 6 -9.977 -2.097 0.865 1.00 0.00 O ATOM 98 CB ALA A 6 -10.258 -0.016 3.448 1.00 0.00 C ATOM 0 H ALA A 6 -10.791 1.958 2.087 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.880 -0.055 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.942 -0.979 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.720 0.783 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.329 0.109 3.607 1.00 0.00 H new ATOM 104 N ARG A 7 -11.938 -1.013 1.050 1.00 0.00 N ATOM 105 CA ARG A 7 -12.703 -2.058 0.376 1.00 0.00 C ATOM 106 C ARG A 7 -12.189 -2.280 -1.041 1.00 0.00 C ATOM 107 O ARG A 7 -11.837 -3.399 -1.421 1.00 0.00 O ATOM 108 CB ARG A 7 -14.188 -1.689 0.341 1.00 0.00 C ATOM 109 CG ARG A 7 -15.065 -2.753 -0.299 1.00 0.00 C ATOM 110 CD ARG A 7 -16.411 -2.861 0.400 1.00 0.00 C ATOM 111 NE ARG A 7 -17.219 -3.953 -0.135 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.259 -4.487 0.503 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.620 -4.029 1.696 1.00 0.00 N ATOM 114 NH2 ARG A 7 -18.940 -5.479 -0.053 1.00 0.00 N ATOM 0 H ARG A 7 -12.492 -0.212 1.353 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.579 -2.984 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.533 -1.510 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.309 -0.754 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.219 -2.514 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.556 -3.716 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.254 -3.016 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.953 -1.922 0.290 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.973 -4.329 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.100 -3.265 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.417 -4.441 2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.668 -5.834 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.736 -5.888 0.436 1.00 0.00 H new ATOM 128 N GLU A 8 -12.144 -1.206 -1.814 1.00 0.00 N ATOM 129 CA GLU A 8 -11.667 -1.272 -3.190 1.00 0.00 C ATOM 130 C GLU A 8 -10.192 -1.656 -3.228 1.00 0.00 C ATOM 131 O GLU A 8 -9.729 -2.291 -4.174 1.00 0.00 O ATOM 132 CB GLU A 8 -11.875 0.071 -3.892 1.00 0.00 C ATOM 133 CG GLU A 8 -11.967 -0.042 -5.406 1.00 0.00 C ATOM 134 CD GLU A 8 -13.226 0.591 -5.964 1.00 0.00 C ATOM 135 OE1 GLU A 8 -14.325 0.056 -5.706 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.115 1.621 -6.661 1.00 0.00 O ATOM 0 H GLU A 8 -12.432 -0.275 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.241 -2.036 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.788 0.532 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.052 0.737 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.096 0.434 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.937 -1.094 -5.690 1.00 0.00 H new ATOM 143 N PHE A 9 -9.461 -1.265 -2.189 1.00 0.00 N ATOM 144 CA PHE A 9 -8.037 -1.566 -2.095 1.00 0.00 C ATOM 145 C PHE A 9 -7.799 -3.072 -2.070 1.00 0.00 C ATOM 146 O PHE A 9 -7.031 -3.601 -2.871 1.00 0.00 O ATOM 147 CB PHE A 9 -7.446 -0.920 -0.839 1.00 0.00 C ATOM 148 CG PHE A 9 -5.974 -1.164 -0.673 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.511 -2.367 -0.163 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.052 -0.193 -1.028 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.157 -2.595 -0.009 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.697 -0.415 -0.876 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.249 -1.618 -0.366 1.00 0.00 C ATOM 0 H PHE A 9 -9.832 -0.738 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.542 -1.156 -2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.626 0.154 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.970 -1.302 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.217 -3.135 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.397 0.749 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.809 -3.536 0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.989 0.351 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.190 -1.794 -0.247 1.00 0.00 H new ATOM 163 N ARG A 10 -8.462 -3.758 -1.146 1.00 0.00 N ATOM 164 CA ARG A 10 -8.316 -5.203 -1.022 1.00 0.00 C ATOM 165 C ARG A 10 -8.782 -5.908 -2.294 1.00 0.00 C ATOM 166 O ARG A 10 -8.167 -6.880 -2.737 1.00 0.00 O ATOM 167 CB ARG A 10 -9.110 -5.717 0.180 1.00 0.00 C ATOM 168 CG ARG A 10 -8.453 -6.893 0.886 1.00 0.00 C ATOM 169 CD ARG A 10 -8.846 -8.218 0.252 1.00 0.00 C ATOM 170 NE ARG A 10 -9.292 -9.191 1.247 1.00 0.00 N ATOM 171 CZ ARG A 10 -8.469 -9.867 2.042 1.00 0.00 C ATOM 172 NH1 ARG A 10 -7.156 -9.683 1.963 1.00 0.00 N ATOM 173 NH2 ARG A 10 -8.958 -10.732 2.920 1.00 0.00 N ATOM 0 H ARG A 10 -9.104 -3.338 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.259 -5.424 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.241 -4.903 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.105 -6.013 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.369 -6.780 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.740 -6.893 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.642 -8.051 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.996 -8.624 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.294 -9.361 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.774 -9.020 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.530 -10.205 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.965 -10.878 2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.327 -11.251 3.530 1.00 0.00 H new ATOM 187 N HIS A 11 -9.872 -5.415 -2.872 1.00 0.00 N ATOM 188 CA HIS A 11 -10.423 -6.001 -4.088 1.00 0.00 C ATOM 189 C HIS A 11 -9.435 -5.910 -5.250 1.00 0.00 C ATOM 190 O HIS A 11 -9.127 -6.913 -5.892 1.00 0.00 O ATOM 191 CB HIS A 11 -11.732 -5.304 -4.464 1.00 0.00 C ATOM 192 CG HIS A 11 -12.933 -5.876 -3.779 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.938 -6.542 -4.450 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.290 -5.884 -2.472 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.860 -6.930 -3.589 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.490 -6.543 -2.380 1.00 0.00 N ATOM 0 H HIS A 11 -10.391 -4.611 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.617 -7.055 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.654 -4.245 -4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.873 -5.371 -5.543 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.733 -5.452 -1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.763 -7.471 -3.831 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.012 -6.708 -1.519 1.00 0.00 H new ATOM 205 N LYS A 12 -8.947 -4.702 -5.517 1.00 0.00 N ATOM 206 CA LYS A 12 -8.001 -4.489 -6.610 1.00 0.00 C ATOM 207 C LYS A 12 -6.682 -5.211 -6.347 1.00 0.00 C ATOM 208 O LYS A 12 -6.118 -5.832 -7.247 1.00 0.00 O ATOM 209 CB LYS A 12 -7.751 -2.994 -6.819 1.00 0.00 C ATOM 210 CG LYS A 12 -7.143 -2.302 -5.612 1.00 0.00 C ATOM 211 CD LYS A 12 -7.322 -0.794 -5.689 1.00 0.00 C ATOM 212 CE LYS A 12 -6.479 -0.190 -6.802 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.071 1.071 -7.326 1.00 0.00 N ATOM 0 H LYS A 12 -9.189 -3.859 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.441 -4.904 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.089 -2.862 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.694 -2.508 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.609 -2.679 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.081 -2.541 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.373 -0.559 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.045 -0.344 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.474 0.008 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.381 -0.910 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.466 1.450 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.020 0.878 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.141 1.767 -6.557 1.00 0.00 H new ATOM 227 N VAL A 13 -6.193 -5.128 -5.113 1.00 0.00 N ATOM 228 CA VAL A 13 -4.937 -5.779 -4.746 1.00 0.00 C ATOM 229 C VAL A 13 -4.958 -7.256 -5.133 1.00 0.00 C ATOM 230 O VAL A 13 -3.997 -7.772 -5.703 1.00 0.00 O ATOM 231 CB VAL A 13 -4.653 -5.647 -3.233 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.465 -6.508 -2.820 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.411 -4.192 -2.862 1.00 0.00 C ATOM 0 H VAL A 13 -6.644 -4.619 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.141 -5.275 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.530 -6.003 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.288 -6.395 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.678 -7.553 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.578 -6.192 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.213 -4.117 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.553 -3.813 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.293 -3.602 -3.109 1.00 0.00 H new ATOM 243 N ASP A 14 -6.062 -7.929 -4.824 1.00 0.00 N ATOM 244 CA ASP A 14 -6.204 -9.343 -5.147 1.00 0.00 C ATOM 245 C ASP A 14 -6.388 -9.538 -6.649 1.00 0.00 C ATOM 246 O ASP A 14 -5.988 -10.560 -7.206 1.00 0.00 O ATOM 247 CB ASP A 14 -7.391 -9.943 -4.392 1.00 0.00 C ATOM 248 CG ASP A 14 -7.524 -11.437 -4.616 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.674 -11.850 -5.785 1.00 0.00 O ATOM 250 OD2 ASP A 14 -7.476 -12.192 -3.622 1.00 0.00 O ATOM 0 H ASP A 14 -6.868 -7.519 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.293 -9.856 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.276 -9.747 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.308 -9.448 -4.710 1.00 0.00 H new ATOM 255 N PHE A 15 -6.999 -8.551 -7.298 1.00 0.00 N ATOM 256 CA PHE A 15 -7.240 -8.612 -8.734 1.00 0.00 C ATOM 257 C PHE A 15 -5.936 -8.517 -9.524 1.00 0.00 C ATOM 258 O PHE A 15 -5.672 -9.336 -10.403 1.00 0.00 O ATOM 259 CB PHE A 15 -8.188 -7.489 -9.160 1.00 0.00 C ATOM 260 CG PHE A 15 -8.605 -7.569 -10.602 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.009 -8.773 -11.155 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.590 -6.438 -11.402 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.391 -8.848 -12.480 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.972 -6.508 -12.729 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.373 -7.714 -13.269 1.00 0.00 C ATOM 0 H PHE A 15 -7.336 -7.699 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.700 -9.576 -8.952 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.078 -7.518 -8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.703 -6.529 -8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.025 -9.663 -10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.277 -5.492 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.704 -9.793 -12.899 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.957 -5.620 -13.343 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.672 -7.771 -14.305 1.00 0.00 H new ATOM 275 N LEU A 16 -5.129 -7.506 -9.213 1.00 0.00 N ATOM 276 CA LEU A 16 -3.858 -7.307 -9.906 1.00 0.00 C ATOM 277 C LEU A 16 -2.783 -8.255 -9.383 1.00 0.00 C ATOM 278 O LEU A 16 -1.935 -8.723 -10.142 1.00 0.00 O ATOM 279 CB LEU A 16 -3.391 -5.856 -9.767 1.00 0.00 C ATOM 280 CG LEU A 16 -3.421 -5.294 -8.343 1.00 0.00 C ATOM 281 CD1 LEU A 16 -2.014 -4.950 -7.877 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.322 -4.070 -8.272 1.00 0.00 C ATOM 0 H LEU A 16 -5.330 -6.815 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.021 -7.528 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.373 -5.781 -10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.016 -5.228 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.826 -6.058 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.054 -4.552 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.397 -5.848 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.582 -4.203 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.331 -3.684 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.946 -3.302 -8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.335 -4.346 -8.565 1.00 0.00 H new ATOM 294 N ILE A 17 -2.823 -8.536 -8.085 1.00 0.00 N ATOM 295 CA ILE A 17 -1.847 -9.430 -7.471 1.00 0.00 C ATOM 296 C ILE A 17 -2.397 -10.847 -7.360 1.00 0.00 C ATOM 297 O ILE A 17 -1.901 -11.771 -8.005 1.00 0.00 O ATOM 298 CB ILE A 17 -1.428 -8.940 -6.071 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.139 -7.437 -6.099 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.210 -9.713 -5.579 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.650 -6.886 -4.776 1.00 0.00 C ATOM 0 H ILE A 17 -3.518 -8.160 -7.440 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.970 -9.431 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.250 -9.120 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.391 -7.234 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.046 -6.907 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.073 -9.355 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.450 -10.775 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.620 -9.563 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.466 -5.816 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.406 -7.056 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.275 -7.388 -4.492 1.00 0.00 H new ATOM 313 N GLU A 18 -3.427 -11.007 -6.538 1.00 0.00 N ATOM 314 CA GLU A 18 -4.061 -12.309 -6.332 1.00 0.00 C ATOM 315 C GLU A 18 -3.212 -13.217 -5.438 1.00 0.00 C ATOM 316 O GLU A 18 -3.582 -14.361 -5.180 1.00 0.00 O ATOM 317 CB GLU A 18 -4.321 -12.999 -7.675 1.00 0.00 C ATOM 318 CG GLU A 18 -5.449 -14.018 -7.626 1.00 0.00 C ATOM 319 CD GLU A 18 -5.064 -15.346 -8.249 1.00 0.00 C ATOM 320 OE1 GLU A 18 -4.596 -15.345 -9.407 1.00 0.00 O ATOM 321 OE2 GLU A 18 -5.230 -16.386 -7.578 1.00 0.00 O ATOM 0 H GLU A 18 -3.845 -10.248 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.011 -12.131 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.558 -12.242 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.407 -13.496 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.743 -14.179 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.319 -13.616 -8.145 1.00 0.00 H new ATOM 328 N ASN A 19 -2.076 -12.706 -4.971 1.00 0.00 N ATOM 329 CA ASN A 19 -1.190 -13.482 -4.112 1.00 0.00 C ATOM 330 C ASN A 19 -1.445 -13.165 -2.642 1.00 0.00 C ATOM 331 O ASN A 19 -1.244 -12.036 -2.196 1.00 0.00 O ATOM 332 CB ASN A 19 0.271 -13.197 -4.462 1.00 0.00 C ATOM 333 CG ASN A 19 0.795 -14.117 -5.545 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.426 -13.995 -6.714 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.662 -15.049 -5.162 1.00 0.00 N ATOM 0 H ASN A 19 -1.749 -11.761 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.396 -14.539 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.368 -12.162 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.884 -13.307 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.049 -15.698 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.941 -15.115 -4.183 1.00 0.00 H new ATOM 342 N ASP A 20 -1.887 -14.172 -1.893 1.00 0.00 N ATOM 343 CA ASP A 20 -2.166 -13.999 -0.472 1.00 0.00 C ATOM 344 C ASP A 20 -0.924 -13.523 0.274 1.00 0.00 C ATOM 345 O ASP A 20 -1.017 -12.751 1.229 1.00 0.00 O ATOM 346 CB ASP A 20 -2.669 -15.311 0.135 1.00 0.00 C ATOM 347 CG ASP A 20 -3.794 -15.094 1.129 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.645 -14.224 2.013 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.822 -15.795 1.024 1.00 0.00 O ATOM 0 H ASP A 20 -2.059 -15.113 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.941 -13.239 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.014 -15.968 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.842 -15.819 0.631 1.00 0.00 H new ATOM 354 N ALA A 21 0.237 -13.988 -0.171 1.00 0.00 N ATOM 355 CA ALA A 21 1.501 -13.609 0.450 1.00 0.00 C ATOM 356 C ALA A 21 1.795 -12.130 0.233 1.00 0.00 C ATOM 357 O ALA A 21 2.326 -11.455 1.114 1.00 0.00 O ATOM 358 CB ALA A 21 2.634 -14.462 -0.097 1.00 0.00 C ATOM 0 H ALA A 21 0.330 -14.628 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 21 1.418 -13.782 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.571 -14.168 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.434 -15.512 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.710 -14.318 -1.175 1.00 0.00 H new ATOM 364 N GLU A 22 1.446 -11.632 -0.948 1.00 0.00 N ATOM 365 CA GLU A 22 1.670 -10.232 -1.286 1.00 0.00 C ATOM 366 C GLU A 22 0.779 -9.321 -0.447 1.00 0.00 C ATOM 367 O GLU A 22 1.190 -8.233 -0.044 1.00 0.00 O ATOM 368 CB GLU A 22 1.408 -9.994 -2.773 1.00 0.00 C ATOM 369 CG GLU A 22 2.256 -10.865 -3.687 1.00 0.00 C ATOM 370 CD GLU A 22 3.699 -10.408 -3.755 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.484 -10.785 -2.859 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.045 -9.672 -4.702 1.00 0.00 O ATOM 0 H GLU A 22 1.006 -12.179 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 22 2.711 -9.994 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.355 -10.180 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.599 -8.946 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.222 -11.896 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.829 -10.857 -4.690 1.00 0.00 H new ATOM 379 N LYS A 23 -0.443 -9.775 -0.190 1.00 0.00 N ATOM 380 CA LYS A 23 -1.394 -9.002 0.601 1.00 0.00 C ATOM 381 C LYS A 23 -0.989 -8.984 2.071 1.00 0.00 C ATOM 382 O LYS A 23 -1.172 -7.984 2.761 1.00 0.00 O ATOM 383 CB LYS A 23 -2.802 -9.579 0.454 1.00 0.00 C ATOM 384 CG LYS A 23 -3.244 -9.746 -0.991 1.00 0.00 C ATOM 385 CD LYS A 23 -4.569 -10.485 -1.087 1.00 0.00 C ATOM 386 CE LYS A 23 -4.576 -11.470 -2.245 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.300 -12.725 -1.901 1.00 0.00 N ATOM 0 H LYS A 23 -0.798 -10.673 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.390 -7.978 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.842 -10.548 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.508 -8.927 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.338 -8.766 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.481 -10.292 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.758 -11.017 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.379 -9.767 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.045 -11.007 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.550 -11.708 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.702 -13.545 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.522 -12.730 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.183 -12.778 -2.449 1.00 0.00 H new ATOM 401 N ASP A 24 -0.434 -10.095 2.540 1.00 0.00 N ATOM 402 CA ASP A 24 0.001 -10.200 3.927 1.00 0.00 C ATOM 403 C ASP A 24 1.264 -9.375 4.153 1.00 0.00 C ATOM 404 O ASP A 24 1.460 -8.797 5.222 1.00 0.00 O ATOM 405 CB ASP A 24 0.251 -11.663 4.300 1.00 0.00 C ATOM 406 CG ASP A 24 -0.577 -12.106 5.491 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.764 -12.442 5.297 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.037 -12.119 6.617 1.00 0.00 O ATOM 0 H ASP A 24 -0.275 -10.934 1.982 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.790 -9.808 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.020 -12.298 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.309 -11.802 4.524 1.00 0.00 H new ATOM 413 N TYR A 25 2.115 -9.325 3.134 1.00 0.00 N ATOM 414 CA TYR A 25 3.358 -8.568 3.212 1.00 0.00 C ATOM 415 C TYR A 25 3.075 -7.071 3.246 1.00 0.00 C ATOM 416 O TYR A 25 3.595 -6.349 4.097 1.00 0.00 O ATOM 417 CB TYR A 25 4.257 -8.905 2.022 1.00 0.00 C ATOM 418 CG TYR A 25 5.587 -8.183 2.039 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.562 -8.506 2.975 1.00 0.00 C ATOM 420 CD2 TYR A 25 5.865 -7.179 1.121 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.777 -7.849 2.993 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.079 -6.518 1.132 1.00 0.00 C ATOM 423 CZ TYR A 25 8.030 -6.856 2.070 1.00 0.00 C ATOM 424 OH TYR A 25 9.240 -6.200 2.086 1.00 0.00 O ATOM 0 H TYR A 25 1.966 -9.800 2.244 1.00 0.00 H new ATOM 0 HA TYR A 25 3.871 -8.844 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.438 -9.980 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.731 -8.658 1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.367 -9.283 3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.120 -6.910 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.525 -8.112 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.281 -5.741 0.409 1.00 0.00 H new ATOM 0 HH TYR A 25 9.594 -6.189 3.000 1.00 0.00 H new ATOM 434 N LEU A 26 2.243 -6.612 2.317 1.00 0.00 N ATOM 435 CA LEU A 26 1.888 -5.200 2.244 1.00 0.00 C ATOM 436 C LEU A 26 1.104 -4.779 3.483 1.00 0.00 C ATOM 437 O LEU A 26 1.220 -3.643 3.947 1.00 0.00 O ATOM 438 CB LEU A 26 1.075 -4.917 0.975 1.00 0.00 C ATOM 439 CG LEU A 26 -0.390 -5.356 1.021 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.243 -4.298 1.702 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.904 -5.632 -0.384 1.00 0.00 C ATOM 0 H LEU A 26 1.803 -7.196 1.606 1.00 0.00 H new ATOM 0 HA LEU A 26 2.808 -4.616 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.109 -3.846 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.559 -5.415 0.135 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.457 -6.276 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.282 -4.628 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.888 -4.145 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.172 -3.362 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.947 -5.943 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.823 -4.726 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.310 -6.424 -0.840 1.00 0.00 H new ATOM 453 N TYR A 27 0.309 -5.700 4.018 1.00 0.00 N ATOM 454 CA TYR A 27 -0.488 -5.423 5.207 1.00 0.00 C ATOM 455 C TYR A 27 0.412 -5.237 6.423 1.00 0.00 C ATOM 456 O TYR A 27 0.148 -4.396 7.283 1.00 0.00 O ATOM 457 CB TYR A 27 -1.484 -6.557 5.461 1.00 0.00 C ATOM 458 CG TYR A 27 -2.893 -6.235 5.017 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.192 -6.042 3.675 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.925 -6.124 5.941 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.479 -5.747 3.265 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.214 -5.830 5.539 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.485 -5.642 4.201 1.00 0.00 C ATOM 464 OH TYR A 27 -6.767 -5.349 3.797 1.00 0.00 O ATOM 0 H TYR A 27 0.200 -6.644 3.647 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.043 -4.500 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.143 -7.452 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.492 -6.791 6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.406 -6.124 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.716 -6.270 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.695 -5.600 2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.005 -5.748 6.270 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.356 -5.312 4.579 1.00 0.00 H new ATOM 474 N ASP A 28 1.481 -6.025 6.483 1.00 0.00 N ATOM 475 CA ASP A 28 2.427 -5.945 7.589 1.00 0.00 C ATOM 476 C ASP A 28 3.183 -4.623 7.553 1.00 0.00 C ATOM 477 O ASP A 28 3.434 -4.009 8.590 1.00 0.00 O ATOM 478 CB ASP A 28 3.412 -7.114 7.531 1.00 0.00 C ATOM 479 CG ASP A 28 4.043 -7.405 8.879 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.292 -7.569 9.862 1.00 0.00 O ATOM 481 OD2 ASP A 28 5.288 -7.471 8.949 1.00 0.00 O ATOM 0 H ASP A 28 1.713 -6.726 5.779 1.00 0.00 H new ATOM 0 HA ASP A 28 1.868 -6.001 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.894 -8.005 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.195 -6.890 6.807 1.00 0.00 H new ATOM 486 N VAL A 29 3.541 -4.187 6.348 1.00 0.00 N ATOM 487 CA VAL A 29 4.266 -2.936 6.173 1.00 0.00 C ATOM 488 C VAL A 29 3.438 -1.754 6.664 1.00 0.00 C ATOM 489 O VAL A 29 3.935 -0.892 7.390 1.00 0.00 O ATOM 490 CB VAL A 29 4.643 -2.704 4.698 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.604 -1.532 4.570 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.243 -3.966 4.095 1.00 0.00 C ATOM 0 H VAL A 29 3.340 -4.683 5.480 1.00 0.00 H new ATOM 0 HA VAL A 29 5.179 -3.013 6.764 1.00 0.00 H new ATOM 0 HB VAL A 29 3.736 -2.461 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.859 -1.383 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.132 -0.630 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.511 -1.741 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.503 -3.783 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.140 -4.243 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.517 -4.777 4.151 1.00 0.00 H new ATOM 502 N LEU A 30 2.170 -1.719 6.263 1.00 0.00 N ATOM 503 CA LEU A 30 1.272 -0.644 6.663 1.00 0.00 C ATOM 504 C LEU A 30 0.986 -0.704 8.161 1.00 0.00 C ATOM 505 O LEU A 30 1.014 0.316 8.850 1.00 0.00 O ATOM 506 CB LEU A 30 -0.039 -0.730 5.878 1.00 0.00 C ATOM 507 CG LEU A 30 -0.024 -0.041 4.513 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.110 -0.611 3.615 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.195 1.461 4.675 1.00 0.00 C ATOM 0 H LEU A 30 1.743 -2.423 5.661 1.00 0.00 H new ATOM 0 HA LEU A 30 1.759 0.306 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.290 -1.781 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.835 -0.291 6.480 1.00 0.00 H new ATOM 0 HG LEU A 30 0.941 -0.228 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.084 -0.108 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.942 -1.679 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.084 -0.455 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.182 1.937 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.146 1.668 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.620 1.857 5.281 1.00 0.00 H new ATOM 521 N ARG A 31 0.715 -1.906 8.660 1.00 0.00 N ATOM 522 CA ARG A 31 0.426 -2.103 10.077 1.00 0.00 C ATOM 523 C ARG A 31 1.564 -1.570 10.941 1.00 0.00 C ATOM 524 O ARG A 31 1.334 -0.964 11.986 1.00 0.00 O ATOM 525 CB ARG A 31 0.196 -3.586 10.372 1.00 0.00 C ATOM 526 CG ARG A 31 -0.584 -3.837 11.653 1.00 0.00 C ATOM 527 CD ARG A 31 -0.441 -5.277 12.119 1.00 0.00 C ATOM 528 NE ARG A 31 -0.723 -5.422 13.546 1.00 0.00 N ATOM 529 CZ ARG A 31 -1.951 -5.467 14.056 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.012 -5.382 13.264 1.00 0.00 N ATOM 531 NH2 ARG A 31 -2.118 -5.601 15.365 1.00 0.00 N ATOM 0 H ARG A 31 0.689 -2.760 8.103 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.481 -1.549 10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.340 -4.036 9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.161 -4.089 10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.230 -3.164 12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.637 -3.609 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.120 -5.911 11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.571 -5.626 11.912 1.00 0.00 H new ATOM 0 HE ARG A 31 0.067 -5.493 14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.890 -5.281 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.950 -5.417 13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.306 -5.669 15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.059 -5.636 15.758 1.00 0.00 H new ATOM 545 N MET A 32 2.791 -1.797 10.490 1.00 0.00 N ATOM 546 CA MET A 32 3.970 -1.337 11.215 1.00 0.00 C ATOM 547 C MET A 32 4.321 0.094 10.820 1.00 0.00 C ATOM 548 O MET A 32 4.888 0.846 11.612 1.00 0.00 O ATOM 549 CB MET A 32 5.157 -2.265 10.943 1.00 0.00 C ATOM 550 CG MET A 32 5.591 -3.069 12.158 1.00 0.00 C ATOM 551 SD MET A 32 7.295 -3.641 12.039 1.00 0.00 S ATOM 552 CE MET A 32 8.126 -2.459 13.097 1.00 0.00 C ATOM 0 H MET A 32 2.997 -2.297 9.625 1.00 0.00 H new ATOM 0 HA MET A 32 3.745 -1.356 12.281 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.894 -2.952 10.138 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.000 -1.670 10.591 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.479 -2.457 13.053 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.931 -3.928 12.275 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.192 -2.683 13.125 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.976 -1.453 12.706 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.716 -2.521 14.105 1.00 0.00 H new ATOM 562 N TYR A 33 3.976 0.464 9.590 1.00 0.00 N ATOM 563 CA TYR A 33 4.251 1.804 9.086 1.00 0.00 C ATOM 564 C TYR A 33 3.585 2.859 9.965 1.00 0.00 C ATOM 565 O TYR A 33 4.125 3.946 10.164 1.00 0.00 O ATOM 566 CB TYR A 33 3.761 1.936 7.640 1.00 0.00 C ATOM 567 CG TYR A 33 3.817 3.349 7.100 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.935 4.148 7.303 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.748 3.883 6.392 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.986 5.439 6.814 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.793 5.174 5.898 1.00 0.00 C ATOM 572 CZ TYR A 33 3.915 5.947 6.112 1.00 0.00 C ATOM 573 OH TYR A 33 3.963 7.231 5.622 1.00 0.00 O ATOM 0 H TYR A 33 3.505 -0.147 8.923 1.00 0.00 H new ATOM 0 HA TYR A 33 5.329 1.966 9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.364 1.290 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.734 1.575 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.778 3.754 7.852 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.868 3.280 6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.862 6.048 6.981 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.954 5.575 5.348 1.00 0.00 H new ATOM 0 HH TYR A 33 3.497 7.834 6.238 1.00 0.00 H new ATOM 583 N HIS A 34 2.408 2.532 10.484 1.00 0.00 N ATOM 584 CA HIS A 34 1.668 3.452 11.338 1.00 0.00 C ATOM 585 C HIS A 34 2.374 3.642 12.678 1.00 0.00 C ATOM 586 O HIS A 34 2.404 4.743 13.226 1.00 0.00 O ATOM 587 CB HIS A 34 0.246 2.937 11.568 1.00 0.00 C ATOM 588 CG HIS A 34 -0.665 3.163 10.401 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.036 2.159 9.530 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.283 4.285 9.962 1.00 0.00 C ATOM 591 CE1 HIS A 34 -1.840 2.655 8.607 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.007 3.942 8.847 1.00 0.00 N ATOM 0 H HIS A 34 1.945 1.636 10.328 1.00 0.00 H new ATOM 0 HA HIS A 34 1.621 4.417 10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.285 1.870 11.787 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.173 3.428 12.447 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.736 1.186 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.218 5.267 10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.285 2.101 7.794 1.00 0.00 H new ATOM 601 N GLN A 35 2.938 2.559 13.202 1.00 0.00 N ATOM 602 CA GLN A 35 3.642 2.603 14.479 1.00 0.00 C ATOM 603 C GLN A 35 5.002 3.278 14.339 1.00 0.00 C ATOM 604 O GLN A 35 5.310 4.236 15.049 1.00 0.00 O ATOM 605 CB GLN A 35 3.816 1.191 15.039 1.00 0.00 C ATOM 606 CG GLN A 35 2.503 0.470 15.293 1.00 0.00 C ATOM 607 CD GLN A 35 2.542 -0.393 16.538 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.728 -0.229 17.448 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.492 -1.321 16.587 1.00 0.00 N ATOM 0 H GLN A 35 2.921 1.639 12.762 1.00 0.00 H new ATOM 0 HA GLN A 35 3.039 3.191 15.171 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.414 0.604 14.342 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.377 1.246 15.972 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.703 1.204 15.389 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.262 -0.153 14.431 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.146 -1.423 15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.567 -1.931 17.401 1.00 0.00 H new ATOM 618 N THR A 36 5.811 2.765 13.423 1.00 0.00 N ATOM 619 CA THR A 36 7.147 3.306 13.187 1.00 0.00 C ATOM 620 C THR A 36 7.080 4.650 12.465 1.00 0.00 C ATOM 621 O THR A 36 7.934 5.513 12.665 1.00 0.00 O ATOM 622 CB THR A 36 7.984 2.318 12.376 1.00 0.00 C ATOM 623 OG1 THR A 36 9.260 2.861 12.087 1.00 0.00 O ATOM 624 CG2 THR A 36 7.344 1.927 11.061 1.00 0.00 C ATOM 0 H THR A 36 5.567 1.973 12.828 1.00 0.00 H new ATOM 0 HA THR A 36 7.620 3.464 14.156 1.00 0.00 H new ATOM 0 HB THR A 36 8.064 1.428 13.001 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.170 3.568 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.991 1.224 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.378 1.459 11.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.201 2.816 10.447 1.00 0.00 H new ATOM 632 N MET A 37 6.066 4.819 11.624 1.00 0.00 N ATOM 633 CA MET A 37 5.896 6.059 10.874 1.00 0.00 C ATOM 634 C MET A 37 7.079 6.293 9.939 1.00 0.00 C ATOM 635 O MET A 37 7.513 7.429 9.741 1.00 0.00 O ATOM 636 CB MET A 37 5.740 7.242 11.833 1.00 0.00 C ATOM 637 CG MET A 37 4.461 8.035 11.617 1.00 0.00 C ATOM 638 SD MET A 37 3.196 7.661 12.848 1.00 0.00 S ATOM 639 CE MET A 37 1.723 7.654 11.828 1.00 0.00 C ATOM 0 H MET A 37 5.350 4.115 11.444 1.00 0.00 H new ATOM 0 HA MET A 37 4.993 5.972 10.270 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.760 6.873 12.858 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.595 7.908 11.717 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.689 9.100 11.648 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.069 7.822 10.622 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.866 7.350 12.429 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.551 8.654 11.431 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.855 6.954 11.003 1.00 0.00 H new ATOM 649 N ASP A 38 7.598 5.211 9.365 1.00 0.00 N ATOM 650 CA ASP A 38 8.732 5.298 8.450 1.00 0.00 C ATOM 651 C ASP A 38 8.276 5.162 7.000 1.00 0.00 C ATOM 652 O ASP A 38 8.095 4.053 6.497 1.00 0.00 O ATOM 653 CB ASP A 38 9.762 4.214 8.778 1.00 0.00 C ATOM 654 CG ASP A 38 10.908 4.742 9.618 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.632 5.638 9.137 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.081 4.257 10.757 1.00 0.00 O ATOM 0 H ASP A 38 7.251 4.264 9.517 1.00 0.00 H new ATOM 0 HA ASP A 38 9.193 6.278 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.271 3.399 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.156 3.798 7.851 1.00 0.00 H new ATOM 661 N VAL A 39 8.095 6.297 6.333 1.00 0.00 N ATOM 662 CA VAL A 39 7.662 6.305 4.941 1.00 0.00 C ATOM 663 C VAL A 39 8.703 5.649 4.041 1.00 0.00 C ATOM 664 O VAL A 39 8.361 4.974 3.071 1.00 0.00 O ATOM 665 CB VAL A 39 7.397 7.738 4.441 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.712 7.713 3.084 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.565 8.514 5.452 1.00 0.00 C ATOM 0 H VAL A 39 8.242 7.223 6.734 1.00 0.00 H new ATOM 0 HA VAL A 39 6.733 5.737 4.895 1.00 0.00 H new ATOM 0 HB VAL A 39 8.355 8.245 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.533 8.734 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.350 7.200 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.761 7.186 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.389 9.523 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.610 8.010 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.100 8.565 6.401 1.00 0.00 H new ATOM 677 N ALA A 40 9.975 5.855 4.368 1.00 0.00 N ATOM 678 CA ALA A 40 11.068 5.283 3.590 1.00 0.00 C ATOM 679 C ALA A 40 10.967 3.763 3.531 1.00 0.00 C ATOM 680 O ALA A 40 10.992 3.170 2.453 1.00 0.00 O ATOM 681 CB ALA A 40 12.407 5.704 4.176 1.00 0.00 C ATOM 0 H ALA A 40 10.274 6.414 5.167 1.00 0.00 H new ATOM 0 HA ALA A 40 10.993 5.663 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.215 5.270 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.487 6.791 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.480 5.353 5.205 1.00 0.00 H new ATOM 687 N VAL A 41 10.852 3.136 4.699 1.00 0.00 N ATOM 688 CA VAL A 41 10.748 1.685 4.778 1.00 0.00 C ATOM 689 C VAL A 41 9.489 1.188 4.077 1.00 0.00 C ATOM 690 O VAL A 41 9.496 0.141 3.429 1.00 0.00 O ATOM 691 CB VAL A 41 10.733 1.198 6.240 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.795 -0.320 6.301 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.885 1.817 7.022 1.00 0.00 C ATOM 0 H VAL A 41 10.829 3.611 5.601 1.00 0.00 H new ATOM 0 HA VAL A 41 11.627 1.278 4.278 1.00 0.00 H new ATOM 0 HB VAL A 41 9.797 1.518 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.783 -0.643 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.934 -0.740 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.712 -0.666 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.858 1.462 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.831 1.530 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.791 2.903 7.010 1.00 0.00 H new ATOM 703 N LEU A 42 8.409 1.951 4.208 1.00 0.00 N ATOM 704 CA LEU A 42 7.138 1.592 3.586 1.00 0.00 C ATOM 705 C LEU A 42 7.293 1.456 2.075 1.00 0.00 C ATOM 706 O LEU A 42 6.829 0.485 1.478 1.00 0.00 O ATOM 707 CB LEU A 42 6.074 2.643 3.908 1.00 0.00 C ATOM 708 CG LEU A 42 4.711 2.406 3.257 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.979 1.268 3.951 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.877 3.679 3.287 1.00 0.00 C ATOM 0 H LEU A 42 8.388 2.822 4.739 1.00 0.00 H new ATOM 0 HA LEU A 42 6.822 0.630 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.941 2.684 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.444 3.620 3.596 1.00 0.00 H new ATOM 0 HG LEU A 42 4.870 2.125 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.011 1.114 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.570 0.355 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.830 1.518 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.910 3.492 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.726 3.991 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.397 4.467 2.743 1.00 0.00 H new ATOM 722 N VAL A 43 7.950 2.436 1.462 1.00 0.00 N ATOM 723 CA VAL A 43 8.167 2.424 0.022 1.00 0.00 C ATOM 724 C VAL A 43 9.074 1.268 -0.387 1.00 0.00 C ATOM 725 O VAL A 43 8.856 0.627 -1.415 1.00 0.00 O ATOM 726 CB VAL A 43 8.792 3.746 -0.465 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.841 3.787 -1.985 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.018 4.937 0.083 1.00 0.00 C ATOM 0 H VAL A 43 8.341 3.247 1.941 1.00 0.00 H new ATOM 0 HA VAL A 43 7.189 2.300 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 43 9.814 3.802 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.285 4.728 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.443 2.956 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.830 3.707 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.474 5.861 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.984 4.888 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.041 4.916 1.173 1.00 0.00 H new ATOM 738 N GLY A 44 10.094 1.008 0.426 1.00 0.00 N ATOM 739 CA GLY A 44 11.022 -0.072 0.133 1.00 0.00 C ATOM 740 C GLY A 44 10.324 -1.404 -0.064 1.00 0.00 C ATOM 741 O GLY A 44 10.405 -1.998 -1.140 1.00 0.00 O ATOM 0 H GLY A 44 10.295 1.525 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.588 0.174 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.741 -0.160 0.948 1.00 0.00 H new ATOM 745 N ASP A 45 9.638 -1.874 0.973 1.00 0.00 N ATOM 746 CA ASP A 45 8.923 -3.143 0.904 1.00 0.00 C ATOM 747 C ASP A 45 7.907 -3.136 -0.234 1.00 0.00 C ATOM 748 O ASP A 45 7.914 -4.018 -1.098 1.00 0.00 O ATOM 749 CB ASP A 45 8.216 -3.427 2.231 1.00 0.00 C ATOM 750 CG ASP A 45 9.188 -3.762 3.344 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.326 -3.248 3.314 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.812 -4.539 4.248 1.00 0.00 O ATOM 0 H ASP A 45 9.562 -1.395 1.871 1.00 0.00 H new ATOM 0 HA ASP A 45 9.652 -3.930 0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.625 -2.557 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.520 -4.255 2.099 1.00 0.00 H new ATOM 757 N LEU A 46 7.038 -2.130 -0.236 1.00 0.00 N ATOM 758 CA LEU A 46 6.019 -2.001 -1.272 1.00 0.00 C ATOM 759 C LEU A 46 6.643 -2.105 -2.658 1.00 0.00 C ATOM 760 O LEU A 46 5.996 -2.539 -3.611 1.00 0.00 O ATOM 761 CB LEU A 46 5.276 -0.672 -1.124 1.00 0.00 C ATOM 762 CG LEU A 46 4.255 -0.627 0.014 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.797 0.802 0.264 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.066 -1.521 -0.302 1.00 0.00 C ATOM 0 H LEU A 46 7.019 -1.392 0.468 1.00 0.00 H new ATOM 0 HA LEU A 46 5.306 -2.817 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.008 0.121 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.764 -0.453 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 46 4.733 -0.998 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.071 0.814 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.655 1.417 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.336 1.200 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.350 -1.477 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.588 -1.180 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.407 -2.548 -0.431 1.00 0.00 H new ATOM 776 N LYS A 47 7.910 -1.712 -2.762 1.00 0.00 N ATOM 777 CA LYS A 47 8.627 -1.772 -4.029 1.00 0.00 C ATOM 778 C LYS A 47 8.989 -3.213 -4.366 1.00 0.00 C ATOM 779 O LYS A 47 8.823 -3.657 -5.503 1.00 0.00 O ATOM 780 CB LYS A 47 9.892 -0.914 -3.968 1.00 0.00 C ATOM 781 CG LYS A 47 10.527 -0.674 -5.327 1.00 0.00 C ATOM 782 CD LYS A 47 11.836 0.088 -5.203 1.00 0.00 C ATOM 783 CE LYS A 47 11.603 1.530 -4.782 1.00 0.00 C ATOM 784 NZ LYS A 47 12.648 2.009 -3.836 1.00 0.00 N ATOM 0 H LYS A 47 8.460 -1.349 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 47 7.976 -1.381 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.648 0.047 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.619 -1.399 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.706 -1.630 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.837 -0.114 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.478 -0.406 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.362 0.067 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.593 2.169 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.622 1.617 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.453 2.996 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.641 1.416 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.581 1.950 -4.291 1.00 0.00 H new ATOM 798 N LEU A 48 9.479 -3.942 -3.369 1.00 0.00 N ATOM 799 CA LEU A 48 9.858 -5.339 -3.557 1.00 0.00 C ATOM 800 C LEU A 48 8.675 -6.150 -4.070 1.00 0.00 C ATOM 801 O LEU A 48 8.844 -7.112 -4.821 1.00 0.00 O ATOM 802 CB LEU A 48 10.367 -5.934 -2.245 1.00 0.00 C ATOM 803 CG LEU A 48 11.415 -5.095 -1.518 1.00 0.00 C ATOM 804 CD1 LEU A 48 11.884 -5.805 -0.257 1.00 0.00 C ATOM 805 CD2 LEU A 48 12.589 -4.800 -2.438 1.00 0.00 C ATOM 0 H LEU A 48 9.623 -3.590 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 48 10.657 -5.379 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.518 -6.084 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.789 -6.918 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 48 10.961 -4.148 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.631 -5.193 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.035 -5.965 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.323 -6.767 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.327 -4.201 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.045 -5.737 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.238 -4.250 -3.311 1.00 0.00 H new ATOM 817 N VAL A 49 7.478 -5.756 -3.655 1.00 0.00 N ATOM 818 CA VAL A 49 6.261 -6.447 -4.069 1.00 0.00 C ATOM 819 C VAL A 49 5.602 -5.752 -5.259 1.00 0.00 C ATOM 820 O VAL A 49 4.953 -6.399 -6.082 1.00 0.00 O ATOM 821 CB VAL A 49 5.232 -6.543 -2.921 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.397 -7.851 -2.165 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.344 -5.355 -1.973 1.00 0.00 C ATOM 0 H VAL A 49 7.323 -4.963 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 49 6.567 -7.453 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 49 4.236 -6.521 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.664 -7.901 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.244 -8.687 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.401 -7.904 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.606 -5.454 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.344 -5.328 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.162 -4.432 -2.523 1.00 0.00 H new ATOM 833 N ILE A 50 5.764 -4.436 -5.342 1.00 0.00 N ATOM 834 CA ILE A 50 5.171 -3.664 -6.429 1.00 0.00 C ATOM 835 C ILE A 50 6.227 -3.172 -7.419 1.00 0.00 C ATOM 836 O ILE A 50 6.025 -2.168 -8.102 1.00 0.00 O ATOM 837 CB ILE A 50 4.386 -2.450 -5.893 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.486 -2.868 -4.729 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.559 -1.819 -7.005 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.982 -1.702 -3.906 1.00 0.00 C ATOM 0 H ILE A 50 6.299 -3.883 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 50 4.488 -4.338 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 50 5.099 -1.710 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.633 -3.422 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.037 -3.549 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.011 -0.964 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.219 -1.488 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.854 -2.553 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.350 -2.073 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.829 -1.161 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.403 -1.032 -4.541 1.00 0.00 H new ATOM 852 N ASN A 51 7.346 -3.881 -7.499 1.00 0.00 N ATOM 853 CA ASN A 51 8.421 -3.503 -8.418 1.00 0.00 C ATOM 854 C ASN A 51 8.067 -3.863 -9.861 1.00 0.00 C ATOM 855 O ASN A 51 8.791 -3.512 -10.793 1.00 0.00 O ATOM 856 CB ASN A 51 9.751 -4.163 -8.026 1.00 0.00 C ATOM 857 CG ASN A 51 9.587 -5.545 -7.415 1.00 0.00 C ATOM 858 OD1 ASN A 51 10.248 -5.880 -6.432 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.709 -6.355 -7.995 1.00 0.00 N ATOM 0 H ASN A 51 7.536 -4.716 -6.944 1.00 0.00 H new ATOM 0 HA ASN A 51 8.538 -2.422 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.384 -4.238 -8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.271 -3.520 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.562 -7.295 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.182 -6.037 -8.808 1.00 0.00 H new ATOM 866 N GLU A 52 6.949 -4.563 -10.041 1.00 0.00 N ATOM 867 CA GLU A 52 6.500 -4.966 -11.362 1.00 0.00 C ATOM 868 C GLU A 52 5.449 -3.989 -11.891 1.00 0.00 C ATOM 869 O GLU A 52 4.372 -3.852 -11.313 1.00 0.00 O ATOM 870 CB GLU A 52 5.925 -6.383 -11.315 1.00 0.00 C ATOM 871 CG GLU A 52 6.847 -7.432 -11.917 1.00 0.00 C ATOM 872 CD GLU A 52 6.171 -8.780 -12.071 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.376 -8.939 -13.022 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.434 -9.676 -11.244 1.00 0.00 O ATOM 0 H GLU A 52 6.338 -4.862 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 52 7.356 -4.955 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.715 -6.647 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.974 -6.398 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.194 -7.090 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.729 -7.541 -11.286 1.00 0.00 H new ATOM 881 N PRO A 53 5.758 -3.293 -12.998 1.00 0.00 N ATOM 882 CA PRO A 53 4.855 -2.319 -13.617 1.00 0.00 C ATOM 883 C PRO A 53 3.388 -2.741 -13.572 1.00 0.00 C ATOM 884 O PRO A 53 2.493 -1.897 -13.528 1.00 0.00 O ATOM 885 CB PRO A 53 5.356 -2.277 -15.057 1.00 0.00 C ATOM 886 CG PRO A 53 6.823 -2.530 -14.952 1.00 0.00 C ATOM 887 CD PRO A 53 7.030 -3.398 -13.732 1.00 0.00 C ATOM 0 HA PRO A 53 4.872 -1.360 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.866 -3.034 -15.670 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.152 -1.311 -15.520 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.195 -3.027 -15.848 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.371 -1.593 -14.857 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.247 -4.430 -14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.868 -3.047 -13.130 1.00 0.00 H new ATOM 895 N SER A 54 3.143 -4.046 -13.585 1.00 0.00 N ATOM 896 CA SER A 54 1.780 -4.564 -13.546 1.00 0.00 C ATOM 897 C SER A 54 1.085 -4.186 -12.239 1.00 0.00 C ATOM 898 O SER A 54 -0.111 -3.898 -12.222 1.00 0.00 O ATOM 899 CB SER A 54 1.787 -6.085 -13.711 1.00 0.00 C ATOM 900 OG SER A 54 1.623 -6.451 -15.071 1.00 0.00 O ATOM 0 H SER A 54 3.867 -4.763 -13.622 1.00 0.00 H new ATOM 0 HA SER A 54 1.226 -4.116 -14.371 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.725 -6.491 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.987 -6.522 -13.114 1.00 0.00 H new ATOM 0 HG SER A 54 1.633 -7.428 -15.150 1.00 0.00 H new ATOM 906 N ARG A 55 1.841 -4.196 -11.144 1.00 0.00 N ATOM 907 CA ARG A 55 1.294 -3.861 -9.831 1.00 0.00 C ATOM 908 C ARG A 55 1.454 -2.374 -9.508 1.00 0.00 C ATOM 909 O ARG A 55 1.097 -1.932 -8.416 1.00 0.00 O ATOM 910 CB ARG A 55 1.975 -4.698 -8.746 1.00 0.00 C ATOM 911 CG ARG A 55 1.899 -6.196 -8.995 1.00 0.00 C ATOM 912 CD ARG A 55 3.268 -6.850 -8.887 1.00 0.00 C ATOM 913 NE ARG A 55 3.193 -8.303 -9.026 1.00 0.00 N ATOM 914 CZ ARG A 55 2.860 -9.127 -8.035 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.564 -8.647 -6.834 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.821 -10.436 -8.246 1.00 0.00 N ATOM 0 H ARG A 55 2.833 -4.432 -11.139 1.00 0.00 H new ATOM 0 HA ARG A 55 0.228 -4.087 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.022 -4.403 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.514 -4.474 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.219 -6.651 -8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.484 -6.380 -9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.925 -6.446 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.714 -6.600 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 55 3.409 -8.710 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.591 -7.641 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.310 -9.284 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.046 -10.811 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.566 -11.068 -7.487 1.00 0.00 H new ATOM 930 N LEU A 56 1.989 -1.602 -10.451 1.00 0.00 N ATOM 931 CA LEU A 56 2.187 -0.169 -10.239 1.00 0.00 C ATOM 932 C LEU A 56 0.886 0.513 -9.813 1.00 0.00 C ATOM 933 O LEU A 56 0.860 1.253 -8.829 1.00 0.00 O ATOM 934 CB LEU A 56 2.732 0.493 -11.506 1.00 0.00 C ATOM 935 CG LEU A 56 4.257 0.590 -11.579 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.693 1.118 -12.937 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.788 1.479 -10.463 1.00 0.00 C ATOM 0 H LEU A 56 2.292 -1.941 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 56 2.915 -0.052 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.377 -0.066 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.315 1.497 -11.582 1.00 0.00 H new ATOM 0 HG LEU A 56 4.673 -0.409 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.781 1.180 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.344 0.444 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.268 2.109 -13.096 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.874 1.537 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.365 2.479 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.506 1.059 -9.498 1.00 0.00 H new ATOM 949 N PRO A 57 -0.216 0.273 -10.547 1.00 0.00 N ATOM 950 CA PRO A 57 -1.519 0.871 -10.233 1.00 0.00 C ATOM 951 C PRO A 57 -1.894 0.715 -8.762 1.00 0.00 C ATOM 952 O PRO A 57 -2.663 1.511 -8.221 1.00 0.00 O ATOM 953 CB PRO A 57 -2.489 0.084 -11.116 1.00 0.00 C ATOM 954 CG PRO A 57 -1.667 -0.358 -12.276 1.00 0.00 C ATOM 955 CD PRO A 57 -0.282 -0.598 -11.739 1.00 0.00 C ATOM 0 HA PRO A 57 -1.527 1.946 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.910 -0.767 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.326 0.705 -11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.076 -1.266 -12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.656 0.402 -13.058 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.129 -1.645 -11.479 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.483 -0.336 -12.470 1.00 0.00 H new ATOM 963 N LEU A 58 -1.347 -0.312 -8.119 1.00 0.00 N ATOM 964 CA LEU A 58 -1.624 -0.570 -6.710 1.00 0.00 C ATOM 965 C LEU A 58 -1.300 0.649 -5.852 1.00 0.00 C ATOM 966 O LEU A 58 -2.055 1.000 -4.945 1.00 0.00 O ATOM 967 CB LEU A 58 -0.820 -1.777 -6.222 1.00 0.00 C ATOM 968 CG LEU A 58 -1.009 -2.125 -4.744 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.436 -2.584 -4.483 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.014 -3.195 -4.316 1.00 0.00 C ATOM 0 H LEU A 58 -0.709 -0.980 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.688 -0.785 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.095 -2.644 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.238 -1.587 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.824 -1.229 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.553 -2.827 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.129 -1.787 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.650 -3.467 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.163 -3.430 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.167 -4.094 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.001 -2.828 -4.466 1.00 0.00 H new ATOM 982 N PHE A 59 -0.173 1.293 -6.145 1.00 0.00 N ATOM 983 CA PHE A 59 0.253 2.475 -5.400 1.00 0.00 C ATOM 984 C PHE A 59 -0.877 3.495 -5.295 1.00 0.00 C ATOM 985 O PHE A 59 -1.002 4.202 -4.292 1.00 0.00 O ATOM 986 CB PHE A 59 1.470 3.115 -6.071 1.00 0.00 C ATOM 987 CG PHE A 59 2.755 2.381 -5.811 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.214 2.199 -4.516 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.503 1.874 -6.861 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.397 1.526 -4.275 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.686 1.199 -6.626 1.00 0.00 C ATOM 992 CZ PHE A 59 5.133 1.024 -5.331 1.00 0.00 C ATOM 0 H PHE A 59 0.462 1.016 -6.894 1.00 0.00 H new ATOM 0 HA PHE A 59 0.524 2.157 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.299 3.161 -7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.570 4.142 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.641 2.587 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.158 2.008 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.746 1.393 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.260 0.809 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.056 0.496 -5.144 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.700 3.563 -6.337 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.823 4.492 -6.366 1.00 0.00 C ATOM 1004 C ASP A 60 -3.701 4.323 -5.134 1.00 0.00 C ATOM 1005 O ASP A 60 -4.036 5.295 -4.463 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.654 4.284 -7.634 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.055 5.594 -8.284 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -4.733 6.404 -7.616 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.691 5.810 -9.459 1.00 0.00 O ATOM 0 H ASP A 60 -1.610 2.985 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.422 5.506 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.083 3.688 -8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.550 3.714 -7.388 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.070 3.081 -4.849 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.912 2.767 -3.698 1.00 0.00 C ATOM 1016 C ALA A 61 -4.153 2.921 -2.382 1.00 0.00 C ATOM 1017 O ALA A 61 -4.751 3.191 -1.341 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.466 1.355 -3.827 1.00 0.00 C ATOM 0 H ALA A 61 -3.798 2.268 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.738 3.479 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.093 1.130 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.061 1.279 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.642 0.643 -3.872 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.835 2.743 -2.430 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.007 2.859 -1.233 1.00 0.00 C ATOM 1026 C ILE A 62 -1.964 4.298 -0.721 1.00 0.00 C ATOM 1027 O ILE A 62 -1.828 4.533 0.480 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.568 2.366 -1.490 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.586 0.931 -2.018 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.263 2.452 -0.217 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.786 0.386 -2.347 1.00 0.00 C ATOM 0 H ILE A 62 -2.319 2.519 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.466 2.226 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.112 3.009 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.055 0.286 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.207 0.890 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.275 2.100 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.300 3.487 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.190 1.831 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.693 -0.636 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.250 1.007 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.405 0.393 -1.450 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.073 5.257 -1.634 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.041 6.670 -1.261 1.00 0.00 C ATOM 1045 C ARG A 63 -3.223 7.031 -0.355 1.00 0.00 C ATOM 1046 O ARG A 63 -3.032 7.488 0.770 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.045 7.550 -2.512 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.667 8.065 -2.898 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.407 7.905 -4.387 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.700 9.129 -5.129 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.899 9.168 -6.444 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.841 8.056 -7.164 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.160 10.324 -7.041 1.00 0.00 N ATOM 0 H ARG A 63 -2.184 5.085 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.121 6.850 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.458 6.981 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.708 8.399 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.581 9.116 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.095 7.525 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.635 7.626 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.018 7.090 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.755 10.005 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.643 7.164 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.994 8.092 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.208 11.182 -6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.313 10.354 -8.049 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.463 6.834 -0.841 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.679 7.140 -0.080 1.00 0.00 C ATOM 1069 C PRO A 64 -5.590 6.721 1.386 1.00 0.00 C ATOM 1070 O PRO A 64 -5.843 7.521 2.286 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.741 6.316 -0.806 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.287 6.301 -2.223 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.780 6.299 -2.177 1.00 0.00 C ATOM 0 HA PRO A 64 -5.880 8.211 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.809 5.307 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.729 6.766 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.663 5.420 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.660 7.172 -2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.378 5.295 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.356 6.920 -2.966 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.238 5.461 1.621 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.125 4.942 2.980 1.00 0.00 C ATOM 1083 C LEU A 65 -3.993 5.625 3.743 1.00 0.00 C ATOM 1084 O LEU A 65 -3.954 5.589 4.973 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.903 3.429 2.956 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.697 2.960 2.139 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -2.407 3.200 2.907 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -3.840 1.489 1.777 1.00 0.00 C ATOM 0 H LEU A 65 -5.026 4.782 0.890 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.060 5.157 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.785 3.079 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.799 2.953 2.558 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.658 3.539 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.560 2.860 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.300 4.265 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.434 2.647 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.974 1.171 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.903 0.895 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.745 1.346 1.187 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.075 6.248 3.011 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.947 6.936 3.627 1.00 0.00 C ATOM 1102 C ILE A 66 -2.309 8.384 3.967 1.00 0.00 C ATOM 1103 O ILE A 66 -3.016 9.047 3.208 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.699 6.901 2.705 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.525 6.412 3.485 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.423 8.265 2.079 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.988 5.034 3.070 1.00 0.00 C ATOM 0 H ILE A 66 -3.090 6.290 1.992 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.707 6.411 4.551 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.905 6.202 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.342 7.120 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.289 6.403 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.458 8.201 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.282 8.572 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.248 8.998 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.858 4.749 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.185 4.315 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.255 5.043 2.013 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.829 8.895 5.115 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.108 10.270 5.542 1.00 0.00 C ATOM 1121 C PRO A 67 -1.717 11.294 4.481 1.00 0.00 C ATOM 1122 O PRO A 67 -0.879 11.022 3.621 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.244 10.442 6.794 1.00 0.00 C ATOM 1124 CG PRO A 67 -1.024 9.059 7.299 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.977 8.179 6.081 1.00 0.00 C ATOM 0 HA PRO A 67 -3.171 10.432 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.299 10.932 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.746 11.060 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.095 8.993 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.828 8.755 7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.041 8.060 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.359 7.180 6.291 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.331 12.472 4.547 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.046 13.541 3.587 1.00 0.00 C ATOM 1135 C LEU A 68 -0.541 13.778 3.467 1.00 0.00 C ATOM 1136 O LEU A 68 0.056 13.518 2.423 1.00 0.00 O ATOM 1137 CB LEU A 68 -2.747 14.858 3.972 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.548 14.850 5.280 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.621 14.745 6.481 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.405 16.102 5.380 1.00 0.00 C ATOM 0 H LEU A 68 -3.028 12.713 5.252 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.437 13.215 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.991 15.640 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.420 15.136 3.161 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.201 13.977 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.212 14.741 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.045 13.822 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.941 15.597 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.968 16.084 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.765 16.984 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.097 16.137 4.539 1.00 0.00 H new ATOM 1152 N LYS A 69 0.064 14.267 4.546 1.00 0.00 N ATOM 1153 CA LYS A 69 1.499 14.535 4.570 1.00 0.00 C ATOM 1154 C LYS A 69 2.286 13.351 4.018 1.00 0.00 C ATOM 1155 O LYS A 69 3.189 13.515 3.195 1.00 0.00 O ATOM 1156 CB LYS A 69 1.953 14.828 6.001 1.00 0.00 C ATOM 1157 CG LYS A 69 2.076 16.308 6.311 1.00 0.00 C ATOM 1158 CD LYS A 69 0.732 17.013 6.222 1.00 0.00 C ATOM 1159 CE LYS A 69 0.848 18.347 5.502 1.00 0.00 C ATOM 1160 NZ LYS A 69 -0.348 18.630 4.661 1.00 0.00 N ATOM 0 H LYS A 69 -0.419 14.486 5.417 1.00 0.00 H new ATOM 0 HA LYS A 69 1.691 15.404 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.245 14.378 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.917 14.349 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.490 16.437 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.776 16.769 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.020 16.376 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.337 17.173 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.974 19.145 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.740 18.345 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.230 19.548 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.454 17.882 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.196 18.657 5.262 1.00 0.00 H new ATOM 1174 N HIS A 70 1.933 12.160 4.483 1.00 0.00 N ATOM 1175 CA HIS A 70 2.600 10.943 4.047 1.00 0.00 C ATOM 1176 C HIS A 70 2.351 10.686 2.566 1.00 0.00 C ATOM 1177 O HIS A 70 3.189 10.105 1.877 1.00 0.00 O ATOM 1178 CB HIS A 70 2.119 9.753 4.880 1.00 0.00 C ATOM 1179 CG HIS A 70 2.242 9.969 6.358 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.185 8.941 7.275 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.422 11.104 7.081 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.323 9.431 8.494 1.00 0.00 C ATOM 1183 NE2 HIS A 70 2.468 10.740 8.403 1.00 0.00 N ATOM 0 H HIS A 70 1.187 12.012 5.163 1.00 0.00 H new ATOM 0 HA HIS A 70 3.673 11.069 4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.077 9.547 4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.692 8.869 4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.512 12.106 6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.318 8.858 9.409 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.594 11.378 9.189 1.00 0.00 H new ATOM 1192 N GLN A 71 1.198 11.131 2.077 1.00 0.00 N ATOM 1193 CA GLN A 71 0.846 10.957 0.673 1.00 0.00 C ATOM 1194 C GLN A 71 1.839 11.687 -0.224 1.00 0.00 C ATOM 1195 O GLN A 71 2.431 11.099 -1.129 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.574 11.468 0.414 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.514 10.406 -0.135 1.00 0.00 C ATOM 1198 CD GLN A 71 -2.298 10.887 -1.341 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -1.755 11.013 -2.439 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.582 11.160 -1.141 1.00 0.00 N ATOM 0 H GLN A 71 0.492 11.615 2.632 1.00 0.00 H new ATOM 0 HA GLN A 71 0.885 9.893 0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.985 11.859 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.529 12.300 -0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.937 9.523 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.209 10.102 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.990 11.041 -0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.160 11.489 -1.915 1.00 0.00 H new ATOM 1209 N VAL A 72 2.016 12.976 0.043 1.00 0.00 N ATOM 1210 CA VAL A 72 2.937 13.798 -0.728 1.00 0.00 C ATOM 1211 C VAL A 72 4.348 13.223 -0.684 1.00 0.00 C ATOM 1212 O VAL A 72 5.002 13.074 -1.716 1.00 0.00 O ATOM 1213 CB VAL A 72 2.970 15.249 -0.206 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.821 16.126 -1.112 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.558 15.806 -0.086 1.00 0.00 C ATOM 0 H VAL A 72 1.532 13.474 0.790 1.00 0.00 H new ATOM 0 HA VAL A 72 2.577 13.799 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 72 3.422 15.247 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.831 17.145 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.839 15.739 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.403 16.123 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.601 16.830 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.077 15.793 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.983 15.194 0.609 1.00 0.00 H new ATOM 1225 N GLU A 73 4.812 12.896 0.519 1.00 0.00 N ATOM 1226 CA GLU A 73 6.143 12.333 0.693 1.00 0.00 C ATOM 1227 C GLU A 73 6.247 10.977 0.008 1.00 0.00 C ATOM 1228 O GLU A 73 7.261 10.664 -0.617 1.00 0.00 O ATOM 1229 CB GLU A 73 6.481 12.204 2.179 1.00 0.00 C ATOM 1230 CG GLU A 73 7.745 12.946 2.584 1.00 0.00 C ATOM 1231 CD GLU A 73 8.934 12.021 2.757 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.866 11.123 3.622 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.932 12.194 2.026 1.00 0.00 O ATOM 0 H GLU A 73 4.285 13.012 1.385 1.00 0.00 H new ATOM 0 HA GLU A 73 6.862 13.009 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.644 12.581 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.594 11.149 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.980 13.696 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.565 13.479 3.517 1.00 0.00 H new ATOM 1240 N TYR A 74 5.188 10.179 0.112 1.00 0.00 N ATOM 1241 CA TYR A 74 5.170 8.864 -0.518 1.00 0.00 C ATOM 1242 C TYR A 74 5.493 9.002 -1.998 1.00 0.00 C ATOM 1243 O TYR A 74 6.225 8.193 -2.567 1.00 0.00 O ATOM 1244 CB TYR A 74 3.806 8.197 -0.336 1.00 0.00 C ATOM 1245 CG TYR A 74 3.794 6.734 -0.715 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.626 5.825 -0.075 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.951 6.261 -1.712 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.620 4.487 -0.418 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.937 4.925 -2.061 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.773 4.042 -1.411 1.00 0.00 C ATOM 1251 OH TYR A 74 3.762 2.710 -1.755 1.00 0.00 O ATOM 0 H TYR A 74 4.338 10.418 0.622 1.00 0.00 H new ATOM 0 HA TYR A 74 5.923 8.236 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.498 8.297 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.068 8.726 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.289 6.170 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.295 6.950 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.275 3.793 0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.275 4.574 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 74 3.949 2.618 -2.713 1.00 0.00 H new ATOM 1261 N ASP A 75 4.948 10.050 -2.607 1.00 0.00 N ATOM 1262 CA ASP A 75 5.186 10.323 -4.017 1.00 0.00 C ATOM 1263 C ASP A 75 6.608 10.832 -4.227 1.00 0.00 C ATOM 1264 O ASP A 75 7.220 10.580 -5.265 1.00 0.00 O ATOM 1265 CB ASP A 75 4.178 11.351 -4.537 1.00 0.00 C ATOM 1266 CG ASP A 75 3.949 11.233 -6.033 1.00 0.00 C ATOM 1267 OD1 ASP A 75 4.563 10.344 -6.660 1.00 0.00 O ATOM 1268 OD2 ASP A 75 3.155 12.030 -6.575 1.00 0.00 O ATOM 0 H ASP A 75 4.338 10.724 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 75 5.061 9.395 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.229 11.221 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.534 12.355 -4.305 1.00 0.00 H new ATOM 1273 N GLN A 76 7.131 11.549 -3.232 1.00 0.00 N ATOM 1274 CA GLN A 76 8.482 12.090 -3.312 1.00 0.00 C ATOM 1275 C GLN A 76 9.519 10.971 -3.336 1.00 0.00 C ATOM 1276 O GLN A 76 10.590 11.118 -3.927 1.00 0.00 O ATOM 1277 CB GLN A 76 8.751 13.024 -2.129 1.00 0.00 C ATOM 1278 CG GLN A 76 8.403 14.476 -2.409 1.00 0.00 C ATOM 1279 CD GLN A 76 9.139 15.437 -1.498 1.00 0.00 C ATOM 1280 OE1 GLN A 76 10.369 15.477 -1.482 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.388 16.220 -0.732 1.00 0.00 N ATOM 0 H GLN A 76 6.639 11.766 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 76 8.564 12.655 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.177 12.681 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.804 12.958 -1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.642 14.710 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.329 14.618 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.371 16.154 -0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.828 16.888 -0.099 1.00 0.00 H new ATOM 1290 N LEU A 77 9.196 9.854 -2.690 1.00 0.00 N ATOM 1291 CA LEU A 77 10.102 8.714 -2.636 1.00 0.00 C ATOM 1292 C LEU A 77 9.879 7.781 -3.820 1.00 0.00 C ATOM 1293 O LEU A 77 10.829 7.332 -4.461 1.00 0.00 O ATOM 1294 CB LEU A 77 9.915 7.948 -1.326 1.00 0.00 C ATOM 1295 CG LEU A 77 10.062 8.788 -0.058 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.424 8.081 1.129 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.528 9.081 0.220 1.00 0.00 C ATOM 0 H LEU A 77 8.314 9.715 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 77 11.123 9.093 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.925 7.491 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.641 7.136 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 77 9.545 9.735 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.539 8.695 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.364 7.923 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.912 7.119 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.614 9.680 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.068 8.143 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.955 9.630 -0.619 1.00 0.00 H new ATOM 1309 N THR A 78 8.615 7.491 -4.103 1.00 0.00 N ATOM 1310 CA THR A 78 8.262 6.609 -5.209 1.00 0.00 C ATOM 1311 C THR A 78 8.673 7.222 -6.548 1.00 0.00 C ATOM 1312 O THR A 78 8.109 8.230 -6.974 1.00 0.00 O ATOM 1313 CB THR A 78 6.757 6.331 -5.205 1.00 0.00 C ATOM 1314 OG1 THR A 78 6.025 7.538 -5.323 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.283 5.626 -3.953 1.00 0.00 C ATOM 0 H THR A 78 7.817 7.854 -3.582 1.00 0.00 H new ATOM 0 HA THR A 78 8.800 5.670 -5.078 1.00 0.00 H new ATOM 0 HB THR A 78 6.580 5.677 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.532 8.176 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.208 5.459 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.794 4.668 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.505 6.242 -3.082 1.00 0.00 H new