USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 505 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 41 THR OG1 : rot 180:sc= -1.07 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -157:sc= 0.118 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 25 ASN : amide:sc= -9.59! C(o=-9.6!,f=-19!) USER MOD Single : A 26 SER OG : rot -0:sc= 0.309 USER MOD Single : A 31 MET CE :methyl -166:sc= -1.87 (180deg=-2.78!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 43 LYS NZ :NH3+ -120:sc= 1.11 (180deg=-1.19) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot -17:sc= 1.16 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 59:sc= 1.17 USER MOD Single : A 77 ASN : amide:sc= -3.64 K(o=-3.6,f=-1.7) USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0.864 (180deg=-0.0944) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.048 1.869 -8.407 1.00 0.00 N ATOM 103 CA VAL A 5 -9.626 1.549 -8.484 1.00 0.00 C ATOM 104 C VAL A 5 -9.106 0.923 -7.195 1.00 0.00 C ATOM 105 O VAL A 5 -7.960 0.537 -7.138 1.00 0.00 O ATOM 106 CB VAL A 5 -8.767 2.793 -8.805 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.506 3.613 -7.553 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.449 2.433 -9.467 1.00 0.00 C ATOM 0 HA VAL A 5 -9.535 0.828 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.342 3.390 -9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.899 4.482 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.455 3.944 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.976 3.002 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.884 3.343 -9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.872 1.789 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.643 1.909 -10.403 1.00 0.00 H new ATOM 118 N LYS A 6 -9.920 0.843 -6.144 1.00 0.00 N ATOM 119 CA LYS A 6 -9.433 0.279 -4.889 1.00 0.00 C ATOM 120 C LYS A 6 -8.636 -0.986 -5.178 1.00 0.00 C ATOM 121 O LYS A 6 -7.540 -1.175 -4.654 1.00 0.00 O ATOM 122 CB LYS A 6 -10.607 -0.039 -3.958 1.00 0.00 C ATOM 123 CG LYS A 6 -10.202 -0.783 -2.695 1.00 0.00 C ATOM 124 CD LYS A 6 -11.407 -1.094 -1.824 1.00 0.00 C ATOM 125 CE LYS A 6 -11.015 -1.909 -0.601 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.187 -2.207 0.267 1.00 0.00 N ATOM 0 H LYS A 6 -10.892 1.152 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.789 1.007 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.100 0.892 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.339 -0.636 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.696 -1.711 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.488 -0.183 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.878 -0.164 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.147 -1.643 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.553 -2.843 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.267 -1.364 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.878 -2.764 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.613 -1.316 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.890 -2.750 -0.274 1.00 0.00 H new ATOM 140 N GLU A 7 -9.169 -1.818 -6.057 1.00 0.00 N ATOM 141 CA GLU A 7 -8.480 -3.032 -6.463 1.00 0.00 C ATOM 142 C GLU A 7 -7.365 -2.712 -7.463 1.00 0.00 C ATOM 143 O GLU A 7 -6.319 -3.359 -7.465 1.00 0.00 O ATOM 144 CB GLU A 7 -9.466 -4.031 -7.070 1.00 0.00 C ATOM 145 CG GLU A 7 -8.816 -5.332 -7.515 1.00 0.00 C ATOM 146 CD GLU A 7 -9.813 -6.306 -8.113 1.00 0.00 C ATOM 147 OE1 GLU A 7 -10.763 -6.696 -7.402 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.644 -6.678 -9.294 1.00 0.00 O ATOM 0 H GLU A 7 -10.075 -1.676 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.031 -3.481 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.242 -4.254 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.958 -3.569 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.041 -5.114 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.324 -5.799 -6.662 1.00 0.00 H new ATOM 155 N ASP A 8 -7.607 -1.720 -8.328 1.00 0.00 N ATOM 156 CA ASP A 8 -6.633 -1.330 -9.351 1.00 0.00 C ATOM 157 C ASP A 8 -5.333 -0.778 -8.747 1.00 0.00 C ATOM 158 O ASP A 8 -4.243 -1.258 -9.065 1.00 0.00 O ATOM 159 CB ASP A 8 -7.260 -0.334 -10.316 1.00 0.00 C ATOM 160 CG ASP A 8 -8.044 -1.015 -11.422 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.096 -2.264 -11.430 1.00 0.00 O ATOM 162 OD2 ASP A 8 -8.608 -0.303 -12.279 1.00 0.00 O ATOM 0 H ASP A 8 -8.468 -1.174 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.356 -2.229 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.921 0.335 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.477 0.283 -10.756 1.00 0.00 H new ATOM 167 N ILE A 9 -5.451 0.196 -7.851 1.00 0.00 N ATOM 168 CA ILE A 9 -4.296 0.771 -7.180 1.00 0.00 C ATOM 169 C ILE A 9 -3.652 -0.295 -6.310 1.00 0.00 C ATOM 170 O ILE A 9 -2.437 -0.489 -6.341 1.00 0.00 O ATOM 171 CB ILE A 9 -4.689 2.000 -6.320 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.978 3.202 -7.218 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.597 2.337 -5.311 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.387 4.444 -6.454 1.00 0.00 C ATOM 0 H ILE A 9 -6.343 0.605 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.589 1.116 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.593 1.751 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.090 3.425 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.770 2.939 -7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.900 3.203 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.438 1.486 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.671 2.564 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.576 5.257 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.293 4.239 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.587 4.732 -5.772 1.00 0.00 H new ATOM 186 N ARG A 10 -4.486 -1.015 -5.562 1.00 0.00 N ATOM 187 CA ARG A 10 -4.005 -2.097 -4.716 1.00 0.00 C ATOM 188 C ARG A 10 -3.222 -3.074 -5.575 1.00 0.00 C ATOM 189 O ARG A 10 -2.266 -3.700 -5.117 1.00 0.00 O ATOM 190 CB ARG A 10 -5.180 -2.819 -4.046 1.00 0.00 C ATOM 191 CG ARG A 10 -4.772 -3.703 -2.878 1.00 0.00 C ATOM 192 CD ARG A 10 -5.968 -4.437 -2.293 1.00 0.00 C ATOM 193 NE ARG A 10 -6.616 -5.302 -3.277 1.00 0.00 N ATOM 194 CZ ARG A 10 -7.685 -6.051 -3.016 1.00 0.00 C ATOM 195 NH1 ARG A 10 -8.227 -6.046 -1.805 1.00 0.00 N ATOM 196 NH2 ARG A 10 -8.212 -6.809 -3.968 1.00 0.00 N ATOM 0 H ARG A 10 -5.495 -0.867 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.365 -1.689 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.897 -2.077 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.691 -3.430 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.027 -4.426 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.303 -3.094 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.645 -5.036 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.690 -3.712 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.226 -5.334 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.825 -5.466 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.046 -6.622 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.798 -6.818 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.031 -7.383 -3.768 1.00 0.00 H new ATOM 210 N GLY A 11 -3.618 -3.167 -6.843 1.00 0.00 N ATOM 211 CA GLY A 11 -2.918 -4.036 -7.765 1.00 0.00 C ATOM 212 C GLY A 11 -1.509 -3.540 -7.956 1.00 0.00 C ATOM 213 O GLY A 11 -0.550 -4.312 -7.961 1.00 0.00 O ATOM 0 H GLY A 11 -4.406 -2.658 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.906 -5.056 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.438 -4.062 -8.723 1.00 0.00 H new ATOM 217 N GLN A 12 -1.396 -2.222 -8.074 1.00 0.00 N ATOM 218 CA GLN A 12 -0.110 -1.570 -8.223 1.00 0.00 C ATOM 219 C GLN A 12 0.706 -1.745 -6.949 1.00 0.00 C ATOM 220 O GLN A 12 1.932 -1.785 -6.989 1.00 0.00 O ATOM 221 CB GLN A 12 -0.300 -0.080 -8.509 1.00 0.00 C ATOM 222 CG GLN A 12 -1.157 0.209 -9.730 1.00 0.00 C ATOM 223 CD GLN A 12 -1.255 1.690 -10.036 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.248 2.355 -10.278 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.475 2.216 -10.028 1.00 0.00 N ATOM 0 H GLN A 12 -2.191 -1.583 -8.069 1.00 0.00 H new ATOM 0 HA GLN A 12 0.419 -2.026 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.755 0.392 -7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.678 0.381 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.740 -0.310 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.158 -0.192 -9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.283 1.628 -9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.604 3.208 -10.228 1.00 0.00 H new ATOM 234 N ILE A 13 0.005 -1.846 -5.819 1.00 0.00 N ATOM 235 CA ILE A 13 0.649 -2.012 -4.521 1.00 0.00 C ATOM 236 C ILE A 13 1.273 -3.397 -4.395 1.00 0.00 C ATOM 237 O ILE A 13 2.411 -3.534 -3.954 1.00 0.00 O ATOM 238 CB ILE A 13 -0.352 -1.795 -3.367 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.959 -0.392 -3.448 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.324 -2.005 -2.019 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.970 -0.107 -2.358 1.00 0.00 C ATOM 0 H ILE A 13 -1.014 -1.815 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 13 1.433 -1.258 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.152 -2.528 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.158 0.345 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.439 -0.268 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.400 -1.847 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.712 -3.022 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.145 -1.297 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.359 0.904 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.790 -0.821 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.490 -0.199 -1.384 1.00 0.00 H new ATOM 253 N ILE A 14 0.524 -4.421 -4.791 1.00 0.00 N ATOM 254 CA ILE A 14 1.015 -5.791 -4.729 1.00 0.00 C ATOM 255 C ILE A 14 2.314 -5.930 -5.519 1.00 0.00 C ATOM 256 O ILE A 14 3.325 -6.394 -4.991 1.00 0.00 O ATOM 257 CB ILE A 14 -0.046 -6.784 -5.256 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.108 -7.035 -4.182 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.592 -8.100 -5.688 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.550 -7.648 -2.917 1.00 0.00 C ATOM 0 H ILE A 14 -0.423 -4.327 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 14 1.215 -6.031 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.520 -6.341 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.595 -6.091 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.876 -7.693 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.181 -8.776 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.314 -7.911 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.099 -8.555 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.356 -7.799 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.088 -8.607 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.197 -6.980 -2.488 1.00 0.00 H new ATOM 272 N GLY A 15 2.289 -5.502 -6.776 1.00 0.00 N ATOM 273 CA GLY A 15 3.483 -5.567 -7.597 1.00 0.00 C ATOM 274 C GLY A 15 4.551 -4.624 -7.081 1.00 0.00 C ATOM 275 O GLY A 15 5.742 -4.936 -7.103 1.00 0.00 O ATOM 0 H GLY A 15 1.468 -5.113 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.867 -6.587 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.234 -5.311 -8.627 1.00 0.00 H new ATOM 279 N ALA A 16 4.103 -3.469 -6.605 1.00 0.00 N ATOM 280 CA ALA A 16 4.989 -2.449 -6.059 1.00 0.00 C ATOM 281 C ALA A 16 5.767 -2.980 -4.859 1.00 0.00 C ATOM 282 O ALA A 16 6.891 -2.557 -4.595 1.00 0.00 O ATOM 283 CB ALA A 16 4.175 -1.224 -5.655 1.00 0.00 C ATOM 0 H ALA A 16 3.116 -3.213 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 16 5.708 -2.170 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.841 -0.463 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.660 -0.825 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.442 -1.507 -4.900 1.00 0.00 H new ATOM 289 N LEU A 17 5.151 -3.904 -4.136 1.00 0.00 N ATOM 290 CA LEU A 17 5.756 -4.501 -2.958 1.00 0.00 C ATOM 291 C LEU A 17 6.697 -5.630 -3.344 1.00 0.00 C ATOM 292 O LEU A 17 7.675 -5.907 -2.650 1.00 0.00 O ATOM 293 CB LEU A 17 4.657 -5.018 -2.031 1.00 0.00 C ATOM 294 CG LEU A 17 3.833 -3.927 -1.337 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.550 -4.502 -0.755 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.656 -3.256 -0.244 1.00 0.00 C ATOM 0 H LEU A 17 4.219 -4.259 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 17 6.341 -3.742 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.983 -5.651 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.112 -5.650 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 17 3.563 -3.179 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.983 -3.708 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.951 -4.937 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.795 -5.273 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.058 -2.484 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.955 -4.000 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.545 -2.804 -0.684 1.00 0.00 H new ATOM 308 N ALA A 18 6.390 -6.276 -4.459 1.00 0.00 N ATOM 309 CA ALA A 18 7.208 -7.382 -4.947 1.00 0.00 C ATOM 310 C ALA A 18 8.653 -6.941 -5.164 1.00 0.00 C ATOM 311 O ALA A 18 8.909 -5.899 -5.768 1.00 0.00 O ATOM 312 CB ALA A 18 6.624 -7.938 -6.238 1.00 0.00 C ATOM 0 H ALA A 18 5.583 -6.056 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 18 7.205 -8.167 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.243 -8.762 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.612 -8.297 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.599 -7.153 -6.994 1.00 0.00 H new ATOM 318 N GLY A 19 9.596 -7.740 -4.670 1.00 0.00 N ATOM 319 CA GLY A 19 11.001 -7.408 -4.825 1.00 0.00 C ATOM 320 C GLY A 19 11.687 -7.104 -3.505 1.00 0.00 C ATOM 321 O GLY A 19 12.871 -7.398 -3.332 1.00 0.00 O ATOM 0 H GLY A 19 9.412 -8.608 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.513 -8.238 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.094 -6.545 -5.484 1.00 0.00 H new ATOM 325 N ALA A 20 10.948 -6.506 -2.576 1.00 0.00 N ATOM 326 CA ALA A 20 11.492 -6.151 -1.265 1.00 0.00 C ATOM 327 C ALA A 20 12.166 -7.340 -0.599 1.00 0.00 C ATOM 328 O ALA A 20 12.230 -8.430 -1.167 1.00 0.00 O ATOM 329 CB ALA A 20 10.381 -5.630 -0.365 1.00 0.00 C ATOM 0 H ALA A 20 9.968 -6.255 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 20 12.242 -5.374 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.794 -5.368 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.930 -4.747 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.621 -6.402 -0.241 1.00 0.00 H new ATOM 335 N ASP A 21 12.633 -7.127 0.628 1.00 0.00 N ATOM 336 CA ASP A 21 13.260 -8.186 1.409 1.00 0.00 C ATOM 337 C ASP A 21 12.227 -9.291 1.612 1.00 0.00 C ATOM 338 O ASP A 21 11.678 -9.798 0.633 1.00 0.00 O ATOM 339 CB ASP A 21 13.758 -7.613 2.739 1.00 0.00 C ATOM 340 CG ASP A 21 15.048 -6.831 2.586 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.583 -6.780 1.458 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.528 -6.275 3.597 1.00 0.00 O ATOM 0 H ASP A 21 12.588 -6.226 1.104 1.00 0.00 H new ATOM 0 HA ASP A 21 14.125 -8.603 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.991 -6.964 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.912 -8.427 3.447 1.00 0.00 H new ATOM 347 N PHE A 22 11.890 -9.638 2.855 1.00 0.00 N ATOM 348 CA PHE A 22 10.850 -10.633 3.057 1.00 0.00 C ATOM 349 C PHE A 22 9.596 -10.074 2.402 1.00 0.00 C ATOM 350 O PHE A 22 9.619 -8.944 1.915 1.00 0.00 O ATOM 351 CB PHE A 22 10.628 -10.933 4.560 1.00 0.00 C ATOM 352 CG PHE A 22 9.812 -9.908 5.321 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.552 -9.513 4.881 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.305 -9.347 6.487 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.814 -8.583 5.574 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.565 -8.415 7.188 1.00 0.00 C ATOM 357 CZ PHE A 22 8.323 -8.031 6.727 1.00 0.00 C ATOM 0 H PHE A 22 12.307 -9.258 3.705 1.00 0.00 H new ATOM 0 HA PHE A 22 11.130 -11.587 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.136 -11.901 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.602 -11.025 5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.146 -9.945 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.278 -9.641 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.839 -8.287 5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.959 -7.987 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.749 -7.296 7.272 1.00 0.00 H new ATOM 367 N PRO A 23 8.483 -10.805 2.373 1.00 0.00 N ATOM 368 CA PRO A 23 7.270 -10.281 1.766 1.00 0.00 C ATOM 369 C PRO A 23 6.721 -9.061 2.521 1.00 0.00 C ATOM 370 O PRO A 23 5.655 -9.148 3.127 1.00 0.00 O ATOM 371 CB PRO A 23 6.295 -11.458 1.832 1.00 0.00 C ATOM 372 CG PRO A 23 6.794 -12.297 2.954 1.00 0.00 C ATOM 373 CD PRO A 23 8.292 -12.159 2.926 1.00 0.00 C ATOM 0 HA PRO A 23 7.441 -9.923 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.275 -11.118 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.283 -12.015 0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.387 -11.960 3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.494 -13.337 2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.726 -12.255 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.757 -12.921 2.301 1.00 0.00 H new ATOM 381 N ILE A 24 7.453 -7.921 2.450 1.00 0.00 N ATOM 382 CA ILE A 24 7.046 -6.642 3.082 1.00 0.00 C ATOM 383 C ILE A 24 7.839 -6.250 4.339 1.00 0.00 C ATOM 384 O ILE A 24 7.266 -6.086 5.417 1.00 0.00 O ATOM 385 CB ILE A 24 5.542 -6.629 3.403 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.760 -6.874 2.121 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.128 -5.302 4.021 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.054 -5.837 1.068 1.00 0.00 C ATOM 0 H ILE A 24 8.342 -7.863 1.953 1.00 0.00 H new ATOM 0 HA ILE A 24 7.282 -5.891 2.328 1.00 0.00 H new ATOM 0 HB ILE A 24 5.327 -7.416 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.003 -7.863 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.693 -6.872 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.060 -5.319 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.684 -5.142 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.343 -4.493 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.473 -6.054 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.786 -4.850 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.116 -5.856 0.825 1.00 0.00 H new ATOM 400 N ASN A 25 9.143 -6.060 4.193 1.00 0.00 N ATOM 401 CA ASN A 25 9.997 -5.647 5.314 1.00 0.00 C ATOM 402 C ASN A 25 9.641 -4.253 5.810 1.00 0.00 C ATOM 403 O ASN A 25 10.445 -3.328 5.689 1.00 0.00 O ATOM 404 CB ASN A 25 11.454 -5.649 4.887 1.00 0.00 C ATOM 405 CG ASN A 25 12.133 -6.971 5.151 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.715 -8.009 4.648 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.191 -6.933 5.952 1.00 0.00 N ATOM 0 H ASN A 25 9.639 -6.184 3.311 1.00 0.00 H new ATOM 0 HA ASN A 25 9.835 -6.360 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.518 -5.418 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.986 -4.859 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.694 -7.792 6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.501 -6.045 6.346 1.00 0.00 H new ATOM 414 N SER A 26 8.440 -4.087 6.352 1.00 0.00 N ATOM 415 CA SER A 26 8.016 -2.782 6.828 1.00 0.00 C ATOM 416 C SER A 26 8.101 -1.786 5.683 1.00 0.00 C ATOM 417 O SER A 26 8.822 -2.006 4.710 1.00 0.00 O ATOM 418 CB SER A 26 8.880 -2.308 7.998 1.00 0.00 C ATOM 419 OG SER A 26 10.173 -1.925 7.563 1.00 0.00 O ATOM 0 H SER A 26 7.753 -4.831 6.471 1.00 0.00 H new ATOM 0 HA SER A 26 6.989 -2.857 7.184 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.396 -1.465 8.492 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.964 -3.105 8.737 1.00 0.00 H new ATOM 0 HG SER A 26 10.244 -2.054 6.594 1.00 0.00 H new ATOM 425 N PRO A 27 7.359 -0.689 5.752 1.00 0.00 N ATOM 426 CA PRO A 27 7.372 0.299 4.687 1.00 0.00 C ATOM 427 C PRO A 27 8.774 0.731 4.301 1.00 0.00 C ATOM 428 O PRO A 27 9.029 1.028 3.145 1.00 0.00 O ATOM 429 CB PRO A 27 6.554 1.459 5.255 1.00 0.00 C ATOM 430 CG PRO A 27 5.662 0.823 6.270 1.00 0.00 C ATOM 431 CD PRO A 27 6.440 -0.330 6.842 1.00 0.00 C ATOM 0 HA PRO A 27 6.957 -0.097 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.197 2.214 5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.977 1.957 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.389 1.534 7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.734 0.479 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.979 -0.044 7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.789 -1.162 7.110 1.00 0.00 H new ATOM 439 N GLU A 28 9.693 0.752 5.247 1.00 0.00 N ATOM 440 CA GLU A 28 11.060 1.144 4.931 1.00 0.00 C ATOM 441 C GLU A 28 11.594 0.320 3.757 1.00 0.00 C ATOM 442 O GLU A 28 12.005 0.860 2.725 1.00 0.00 O ATOM 443 CB GLU A 28 11.961 0.940 6.152 1.00 0.00 C ATOM 444 CG GLU A 28 11.482 1.679 7.392 1.00 0.00 C ATOM 445 CD GLU A 28 12.392 1.469 8.586 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.397 0.741 8.445 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.102 2.035 9.662 1.00 0.00 O ATOM 0 H GLU A 28 9.527 0.508 6.223 1.00 0.00 H new ATOM 0 HA GLU A 28 11.061 2.198 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.021 -0.125 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.970 1.272 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.417 2.745 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.476 1.344 7.644 1.00 0.00 H new ATOM 454 N GLU A 29 11.585 -0.994 3.926 1.00 0.00 N ATOM 455 CA GLU A 29 12.078 -1.902 2.905 1.00 0.00 C ATOM 456 C GLU A 29 11.116 -2.078 1.744 1.00 0.00 C ATOM 457 O GLU A 29 11.479 -1.839 0.599 1.00 0.00 O ATOM 458 CB GLU A 29 12.286 -3.245 3.523 1.00 0.00 C ATOM 459 CG GLU A 29 13.005 -4.211 2.600 1.00 0.00 C ATOM 460 CD GLU A 29 14.391 -3.728 2.211 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.830 -2.691 2.750 1.00 0.00 O ATOM 462 OE2 GLU A 29 15.033 -4.380 1.361 1.00 0.00 O ATOM 0 H GLU A 29 11.239 -1.456 4.767 1.00 0.00 H new ATOM 0 HA GLU A 29 13.000 -1.470 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.861 -3.132 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.320 -3.666 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.087 -5.182 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.410 -4.357 1.699 1.00 0.00 H new ATOM 469 N LEU A 30 9.896 -2.527 2.035 1.00 0.00 N ATOM 470 CA LEU A 30 8.912 -2.752 0.983 1.00 0.00 C ATOM 471 C LEU A 30 8.814 -1.510 0.100 1.00 0.00 C ATOM 472 O LEU A 30 8.810 -1.603 -1.133 1.00 0.00 O ATOM 473 CB LEU A 30 7.555 -3.095 1.602 1.00 0.00 C ATOM 474 CG LEU A 30 6.870 -1.935 2.319 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.122 -1.056 1.329 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.933 -2.446 3.399 1.00 0.00 C ATOM 0 H LEU A 30 9.570 -2.739 2.978 1.00 0.00 H new ATOM 0 HA LEU A 30 9.224 -3.593 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.894 -3.460 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.690 -3.913 2.310 1.00 0.00 H new ATOM 0 HG LEU A 30 7.640 -1.330 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.641 -0.236 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.823 -0.653 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.365 -1.649 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.456 -1.601 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.169 -3.080 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.500 -3.024 4.129 1.00 0.00 H new ATOM 488 N MET A 31 8.799 -0.342 0.737 1.00 0.00 N ATOM 489 CA MET A 31 8.773 0.912 0.004 1.00 0.00 C ATOM 490 C MET A 31 10.056 1.013 -0.804 1.00 0.00 C ATOM 491 O MET A 31 10.072 1.560 -1.906 1.00 0.00 O ATOM 492 CB MET A 31 8.661 2.108 0.952 1.00 0.00 C ATOM 493 CG MET A 31 8.358 3.432 0.270 1.00 0.00 C ATOM 494 SD MET A 31 8.523 4.830 1.401 1.00 0.00 S ATOM 495 CE MET A 31 7.598 4.248 2.821 1.00 0.00 C ATOM 0 H MET A 31 8.804 -0.242 1.752 1.00 0.00 H new ATOM 0 HA MET A 31 7.901 0.929 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.878 1.903 1.682 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.595 2.205 1.505 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.034 3.568 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.345 3.409 -0.132 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.400 5.083 3.493 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.653 3.818 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.177 3.489 3.347 1.00 0.00 H new ATOM 505 N ALA A 32 11.141 0.456 -0.245 1.00 0.00 N ATOM 506 CA ALA A 32 12.425 0.469 -0.927 1.00 0.00 C ATOM 507 C ALA A 32 12.396 -0.436 -2.157 1.00 0.00 C ATOM 508 O ALA A 32 13.131 -0.214 -3.120 1.00 0.00 O ATOM 509 CB ALA A 32 13.532 0.037 0.023 1.00 0.00 C ATOM 0 H ALA A 32 11.147 -0.002 0.667 1.00 0.00 H new ATOM 0 HA ALA A 32 12.626 1.488 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.488 0.051 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.572 0.722 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.330 -0.972 0.382 1.00 0.00 H new ATOM 515 N ALA A 33 11.556 -1.469 -2.108 1.00 0.00 N ATOM 516 CA ALA A 33 11.442 -2.421 -3.203 1.00 0.00 C ATOM 517 C ALA A 33 10.760 -1.826 -4.425 1.00 0.00 C ATOM 518 O ALA A 33 11.118 -2.152 -5.556 1.00 0.00 O ATOM 519 CB ALA A 33 10.687 -3.646 -2.737 1.00 0.00 C ATOM 0 H ALA A 33 10.943 -1.665 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 33 12.454 -2.695 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.603 -4.357 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.223 -4.110 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.690 -3.355 -2.406 1.00 0.00 H new ATOM 525 N LEU A 34 9.760 -0.975 -4.191 1.00 0.00 N ATOM 526 CA LEU A 34 8.999 -0.350 -5.281 1.00 0.00 C ATOM 527 C LEU A 34 9.829 -0.221 -6.569 1.00 0.00 C ATOM 528 O LEU A 34 11.015 0.108 -6.531 1.00 0.00 O ATOM 529 CB LEU A 34 8.436 1.004 -4.837 1.00 0.00 C ATOM 530 CG LEU A 34 7.118 0.912 -4.052 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.282 0.015 -2.837 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.632 2.287 -3.624 1.00 0.00 C ATOM 0 H LEU A 34 9.456 -0.701 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 34 8.162 -1.007 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.179 1.509 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.278 1.626 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 34 6.369 0.478 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.338 -0.038 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.572 -0.985 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.054 0.424 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.698 2.187 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.382 2.756 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.467 2.905 -4.506 1.00 0.00 H new ATOM 544 N PRO A 35 9.208 -0.536 -7.725 1.00 0.00 N ATOM 545 CA PRO A 35 9.861 -0.527 -9.047 1.00 0.00 C ATOM 546 C PRO A 35 10.638 0.745 -9.393 1.00 0.00 C ATOM 547 O PRO A 35 11.709 0.666 -9.995 1.00 0.00 O ATOM 548 CB PRO A 35 8.696 -0.713 -10.036 1.00 0.00 C ATOM 549 CG PRO A 35 7.449 -0.568 -9.227 1.00 0.00 C ATOM 550 CD PRO A 35 7.813 -0.983 -7.835 1.00 0.00 C ATOM 0 HA PRO A 35 10.624 -1.304 -9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.735 0.032 -10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.741 -1.692 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.088 0.460 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.650 -1.194 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.175 -0.508 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.720 -2.060 -7.695 1.00 0.00 H new ATOM 605 N THR A 40 7.544 4.582 -5.423 1.00 0.00 N ATOM 606 CA THR A 40 6.631 4.915 -6.516 1.00 0.00 C ATOM 607 C THR A 40 5.220 5.189 -6.003 1.00 0.00 C ATOM 608 O THR A 40 4.710 4.467 -5.146 1.00 0.00 O ATOM 609 CB THR A 40 6.560 3.790 -7.573 1.00 0.00 C ATOM 610 OG1 THR A 40 5.794 4.229 -8.700 1.00 0.00 O ATOM 611 CG2 THR A 40 5.929 2.530 -6.998 1.00 0.00 C ATOM 0 HA THR A 40 7.033 5.816 -6.980 1.00 0.00 H new ATOM 0 HB THR A 40 7.579 3.557 -7.883 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.754 3.512 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.894 1.758 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.524 2.177 -6.156 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.917 2.752 -6.660 1.00 0.00 H new ATOM 619 N THR A 41 4.591 6.229 -6.540 1.00 0.00 N ATOM 620 CA THR A 41 3.233 6.586 -6.143 1.00 0.00 C ATOM 621 C THR A 41 2.209 5.922 -7.062 1.00 0.00 C ATOM 622 O THR A 41 2.250 6.100 -8.279 1.00 0.00 O ATOM 623 CB THR A 41 3.023 8.112 -6.179 1.00 0.00 C ATOM 624 OG1 THR A 41 4.012 8.764 -5.374 1.00 0.00 O ATOM 625 CG2 THR A 41 1.635 8.482 -5.678 1.00 0.00 C ATOM 0 H THR A 41 4.998 6.838 -7.249 1.00 0.00 H new ATOM 0 HA THR A 41 3.092 6.232 -5.122 1.00 0.00 H new ATOM 0 HB THR A 41 3.120 8.442 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.871 9.733 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.512 9.564 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.882 8.010 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.515 8.137 -4.651 1.00 0.00 H new ATOM 633 N CYS A 42 1.287 5.162 -6.475 1.00 0.00 N ATOM 634 CA CYS A 42 0.251 4.485 -7.251 1.00 0.00 C ATOM 635 C CYS A 42 -1.000 5.353 -7.355 1.00 0.00 C ATOM 636 O CYS A 42 -2.119 4.877 -7.164 1.00 0.00 O ATOM 637 CB CYS A 42 -0.097 3.133 -6.621 1.00 0.00 C ATOM 638 SG CYS A 42 1.317 2.020 -6.436 1.00 0.00 S ATOM 0 H CYS A 42 1.236 5.000 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 42 0.639 4.313 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.542 3.305 -5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.854 2.643 -7.233 1.00 0.00 H new ATOM 0 HG CYS A 42 0.924 0.906 -5.893 1.00 0.00 H new ATOM 644 N LYS A 43 -0.800 6.633 -7.655 1.00 0.00 N ATOM 645 CA LYS A 43 -1.903 7.578 -7.783 1.00 0.00 C ATOM 646 C LYS A 43 -2.649 7.374 -9.099 1.00 0.00 C ATOM 647 O LYS A 43 -2.070 6.923 -10.087 1.00 0.00 O ATOM 648 CB LYS A 43 -1.382 9.013 -7.694 1.00 0.00 C ATOM 649 CG LYS A 43 -0.381 9.361 -8.785 1.00 0.00 C ATOM 650 CD LYS A 43 0.144 10.779 -8.635 1.00 0.00 C ATOM 651 CE LYS A 43 0.950 10.942 -7.357 1.00 0.00 C ATOM 652 NZ LYS A 43 1.439 12.338 -7.183 1.00 0.00 N ATOM 0 H LYS A 43 0.121 7.041 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.599 7.399 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.225 9.702 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.914 9.162 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.452 8.659 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.853 9.249 -9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.767 11.030 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.692 11.479 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.334 10.664 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.799 10.259 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.478 12.339 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.122 12.919 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.059 12.731 -6.298 1.00 0.00 H new ATOM 712 N GLU A 48 -4.260 9.440 -4.413 1.00 0.00 N ATOM 713 CA GLU A 48 -2.891 8.935 -4.383 1.00 0.00 C ATOM 714 C GLU A 48 -2.685 7.982 -3.207 1.00 0.00 C ATOM 715 O GLU A 48 -3.040 8.296 -2.072 1.00 0.00 O ATOM 716 CB GLU A 48 -1.899 10.095 -4.280 1.00 0.00 C ATOM 717 CG GLU A 48 -2.205 11.245 -5.226 1.00 0.00 C ATOM 718 CD GLU A 48 -1.312 12.448 -4.989 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.075 12.297 -5.080 1.00 0.00 O ATOM 720 OE2 GLU A 48 -1.848 13.541 -4.712 1.00 0.00 O ATOM 0 HA GLU A 48 -2.715 8.389 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.896 10.469 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.895 9.723 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.086 10.906 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.247 11.541 -5.107 1.00 0.00 H new ATOM 727 N LEU A 49 -2.101 6.822 -3.490 1.00 0.00 N ATOM 728 CA LEU A 49 -1.836 5.822 -2.458 1.00 0.00 C ATOM 729 C LEU A 49 -0.496 5.144 -2.701 1.00 0.00 C ATOM 730 O LEU A 49 -0.183 4.742 -3.822 1.00 0.00 O ATOM 731 CB LEU A 49 -2.942 4.764 -2.415 1.00 0.00 C ATOM 732 CG LEU A 49 -4.283 5.227 -1.842 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.094 5.831 -0.459 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.960 6.216 -2.780 1.00 0.00 C ATOM 0 H LEU A 49 -1.801 6.550 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.810 6.340 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.108 4.398 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.588 3.919 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.933 4.357 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.059 6.154 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.664 5.084 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.424 6.688 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.911 6.531 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.318 7.086 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.136 5.740 -3.745 1.00 0.00 H new ATOM 746 N LYS A 50 0.292 5.020 -1.642 1.00 0.00 N ATOM 747 CA LYS A 50 1.599 4.394 -1.731 1.00 0.00 C ATOM 748 C LYS A 50 2.132 4.061 -0.346 1.00 0.00 C ATOM 749 O LYS A 50 1.456 4.273 0.658 1.00 0.00 O ATOM 750 CB LYS A 50 2.570 5.321 -2.457 1.00 0.00 C ATOM 751 CG LYS A 50 2.656 6.702 -1.831 1.00 0.00 C ATOM 752 CD LYS A 50 3.663 7.580 -2.547 1.00 0.00 C ATOM 753 CE LYS A 50 5.055 6.982 -2.483 1.00 0.00 C ATOM 754 NZ LYS A 50 6.071 7.864 -3.124 1.00 0.00 N ATOM 0 H LYS A 50 0.045 5.347 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 50 1.501 3.465 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.561 4.868 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.260 5.419 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.675 7.176 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.935 6.609 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.365 7.705 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.670 8.572 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.329 6.811 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.055 6.010 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.893 7.295 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.656 8.320 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.374 8.593 -2.447 1.00 0.00 H new ATOM 768 N ALA A 51 3.344 3.530 -0.299 1.00 0.00 N ATOM 769 CA ALA A 51 3.964 3.156 0.962 1.00 0.00 C ATOM 770 C ALA A 51 4.264 4.377 1.828 1.00 0.00 C ATOM 771 O ALA A 51 4.089 4.342 3.043 1.00 0.00 O ATOM 772 CB ALA A 51 5.232 2.361 0.700 1.00 0.00 C ATOM 0 H ALA A 51 3.919 3.348 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 51 3.259 2.534 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.691 2.084 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.987 1.459 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.930 2.968 0.123 1.00 0.00 H new ATOM 778 N SER A 52 4.734 5.451 1.207 1.00 0.00 N ATOM 779 CA SER A 52 5.071 6.664 1.945 1.00 0.00 C ATOM 780 C SER A 52 3.832 7.331 2.542 1.00 0.00 C ATOM 781 O SER A 52 3.737 7.501 3.758 1.00 0.00 O ATOM 782 CB SER A 52 5.808 7.647 1.037 1.00 0.00 C ATOM 783 OG SER A 52 6.140 8.836 1.732 1.00 0.00 O ATOM 0 H SER A 52 4.890 5.509 0.201 1.00 0.00 H new ATOM 0 HA SER A 52 5.721 6.375 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.716 7.181 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.185 7.888 0.176 1.00 0.00 H new ATOM 0 HG SER A 52 6.612 9.447 1.128 1.00 0.00 H new ATOM 789 N ASP A 53 2.890 7.717 1.687 1.00 0.00 N ATOM 790 CA ASP A 53 1.669 8.375 2.141 1.00 0.00 C ATOM 791 C ASP A 53 0.769 7.419 2.920 1.00 0.00 C ATOM 792 O ASP A 53 0.369 7.709 4.048 1.00 0.00 O ATOM 793 CB ASP A 53 0.904 8.949 0.947 1.00 0.00 C ATOM 794 CG ASP A 53 1.707 9.992 0.194 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.077 11.014 0.808 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.964 9.785 -1.011 1.00 0.00 O ATOM 0 H ASP A 53 2.948 7.586 0.677 1.00 0.00 H new ATOM 0 HA ASP A 53 1.961 9.184 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.636 8.140 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.028 9.394 1.296 1.00 0.00 H new ATOM 801 N ALA A 54 0.445 6.284 2.310 1.00 0.00 N ATOM 802 CA ALA A 54 -0.418 5.294 2.946 1.00 0.00 C ATOM 803 C ALA A 54 0.300 4.560 4.074 1.00 0.00 C ATOM 804 O ALA A 54 -0.217 4.460 5.186 1.00 0.00 O ATOM 805 CB ALA A 54 -0.933 4.307 1.912 1.00 0.00 C ATOM 0 H ALA A 54 0.766 6.026 1.377 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.263 5.823 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.576 3.573 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.503 4.841 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.091 3.798 1.444 1.00 0.00 H new ATOM 811 N GLY A 55 1.495 4.045 3.784 1.00 0.00 N ATOM 812 CA GLY A 55 2.258 3.327 4.796 1.00 0.00 C ATOM 813 C GLY A 55 2.350 4.093 6.103 1.00 0.00 C ATOM 814 O GLY A 55 2.499 3.498 7.171 1.00 0.00 O ATOM 0 H GLY A 55 1.947 4.111 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.793 2.358 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.263 3.133 4.420 1.00 0.00 H new ATOM 818 N GLN A 56 2.253 5.419 6.013 1.00 0.00 N ATOM 819 CA GLN A 56 2.312 6.293 7.185 1.00 0.00 C ATOM 820 C GLN A 56 1.526 5.703 8.342 1.00 0.00 C ATOM 821 O GLN A 56 1.948 5.732 9.498 1.00 0.00 O ATOM 822 CB GLN A 56 1.683 7.643 6.842 1.00 0.00 C ATOM 823 CG GLN A 56 1.839 8.690 7.932 1.00 0.00 C ATOM 824 CD GLN A 56 3.289 9.006 8.244 1.00 0.00 C ATOM 825 OE1 GLN A 56 4.051 8.136 8.665 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.679 10.259 8.037 1.00 0.00 N ATOM 0 H GLN A 56 2.132 5.916 5.131 1.00 0.00 H new ATOM 0 HA GLN A 56 3.358 6.404 7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.133 8.019 5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.622 7.498 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.331 9.604 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.346 8.340 8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.014 10.949 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.643 10.531 8.228 1.00 0.00 H new ATOM 835 N VAL A 57 0.357 5.202 7.998 1.00 0.00 N ATOM 836 CA VAL A 57 -0.566 4.626 8.951 1.00 0.00 C ATOM 837 C VAL A 57 -0.020 3.348 9.589 1.00 0.00 C ATOM 838 O VAL A 57 -0.303 3.061 10.752 1.00 0.00 O ATOM 839 CB VAL A 57 -1.913 4.364 8.255 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.375 5.637 7.550 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.800 3.213 7.264 1.00 0.00 C ATOM 0 H VAL A 57 0.018 5.184 7.036 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.706 5.338 9.764 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.650 4.081 9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.329 5.454 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.493 6.436 8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.633 5.932 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.766 3.048 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.056 3.458 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.497 2.308 7.790 1.00 0.00 H new ATOM 851 N LEU A 58 0.765 2.585 8.832 1.00 0.00 N ATOM 852 CA LEU A 58 1.341 1.346 9.350 1.00 0.00 C ATOM 853 C LEU A 58 2.389 1.647 10.420 1.00 0.00 C ATOM 854 O LEU A 58 3.415 2.267 10.141 1.00 0.00 O ATOM 855 CB LEU A 58 1.973 0.530 8.217 1.00 0.00 C ATOM 856 CG LEU A 58 1.121 0.419 6.950 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.854 -0.371 5.875 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.226 -0.216 7.267 1.00 0.00 C ATOM 0 H LEU A 58 1.015 2.800 7.867 1.00 0.00 H new ATOM 0 HA LEU A 58 0.538 0.761 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.931 0.980 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.183 -0.474 8.585 1.00 0.00 H new ATOM 0 HG LEU A 58 0.943 1.424 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.230 -0.438 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.789 0.132 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.069 -1.374 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.818 -0.287 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.070 -1.214 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.755 0.398 7.996 1.00 0.00 H new ATOM 870 N THR A 59 2.125 1.198 11.641 1.00 0.00 N ATOM 871 CA THR A 59 3.042 1.408 12.756 1.00 0.00 C ATOM 872 C THR A 59 4.293 0.547 12.611 1.00 0.00 C ATOM 873 O THR A 59 4.272 -0.486 11.943 1.00 0.00 O ATOM 874 CB THR A 59 2.368 1.090 14.105 1.00 0.00 C ATOM 875 OG1 THR A 59 1.936 -0.275 14.127 1.00 0.00 O ATOM 876 CG2 THR A 59 1.180 2.008 14.346 1.00 0.00 C ATOM 0 H THR A 59 1.279 0.683 11.885 1.00 0.00 H new ATOM 0 HA THR A 59 3.325 2.460 12.738 1.00 0.00 H new ATOM 0 HB THR A 59 3.098 1.252 14.898 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.906 -0.623 13.211 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.721 1.765 15.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.518 3.044 14.358 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.449 1.874 13.549 1.00 0.00 H new ATOM 884 N ALA A 60 5.382 0.980 13.241 1.00 0.00 N ATOM 885 CA ALA A 60 6.646 0.250 13.185 1.00 0.00 C ATOM 886 C ALA A 60 6.450 -1.226 13.522 1.00 0.00 C ATOM 887 O ALA A 60 7.051 -2.100 12.899 1.00 0.00 O ATOM 888 CB ALA A 60 7.660 0.878 14.129 1.00 0.00 C ATOM 0 H ALA A 60 5.415 1.834 13.797 1.00 0.00 H new ATOM 0 HA ALA A 60 7.025 0.313 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.597 0.324 14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.834 1.914 13.839 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.276 0.847 15.149 1.00 0.00 H new ATOM 894 N ASP A 61 5.603 -1.498 14.507 1.00 0.00 N ATOM 895 CA ASP A 61 5.325 -2.870 14.923 1.00 0.00 C ATOM 896 C ASP A 61 4.898 -3.727 13.732 1.00 0.00 C ATOM 897 O ASP A 61 5.057 -4.947 13.743 1.00 0.00 O ATOM 898 CB ASP A 61 4.234 -2.886 15.997 1.00 0.00 C ATOM 899 CG ASP A 61 3.925 -4.287 16.488 1.00 0.00 C ATOM 900 OD1 ASP A 61 4.844 -4.949 17.013 1.00 0.00 O ATOM 901 OD2 ASP A 61 2.762 -4.723 16.347 1.00 0.00 O ATOM 0 H ASP A 61 5.096 -0.787 15.034 1.00 0.00 H new ATOM 0 HA ASP A 61 6.241 -3.291 15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.549 -2.270 16.839 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.326 -2.437 15.595 1.00 0.00 H new ATOM 906 N ASP A 62 4.348 -3.076 12.709 1.00 0.00 N ATOM 907 CA ASP A 62 3.886 -3.769 11.509 1.00 0.00 C ATOM 908 C ASP A 62 5.035 -4.306 10.661 1.00 0.00 C ATOM 909 O ASP A 62 4.794 -4.844 9.580 1.00 0.00 O ATOM 910 CB ASP A 62 3.035 -2.836 10.651 1.00 0.00 C ATOM 911 CG ASP A 62 1.776 -2.387 11.367 1.00 0.00 C ATOM 912 OD1 ASP A 62 0.970 -3.254 11.754 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.599 -1.163 11.541 1.00 0.00 O ATOM 0 H ASP A 62 4.211 -2.065 12.688 1.00 0.00 H new ATOM 0 HA ASP A 62 3.294 -4.617 11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.624 -1.962 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.763 -3.344 9.726 1.00 0.00 H new ATOM 918 N PHE A 63 6.277 -4.155 11.125 1.00 0.00 N ATOM 919 CA PHE A 63 7.429 -4.632 10.362 1.00 0.00 C ATOM 920 C PHE A 63 7.121 -5.965 9.684 1.00 0.00 C ATOM 921 O PHE A 63 7.088 -6.043 8.459 1.00 0.00 O ATOM 922 CB PHE A 63 8.661 -4.772 11.260 1.00 0.00 C ATOM 923 CG PHE A 63 9.733 -3.759 10.974 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.460 -2.403 11.028 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.014 -4.169 10.648 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.447 -1.473 10.765 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.005 -3.245 10.383 1.00 0.00 C ATOM 928 CZ PHE A 63 11.722 -1.894 10.441 1.00 0.00 C ATOM 0 H PHE A 63 6.508 -3.712 12.014 1.00 0.00 H new ATOM 0 HA PHE A 63 7.644 -3.892 9.591 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.353 -4.679 12.302 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.077 -5.772 11.139 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.464 -2.068 11.279 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.241 -5.224 10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.222 -0.418 10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.001 -3.578 10.131 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.495 -1.169 10.234 1.00 0.00 H new ATOM 938 N PRO A 64 6.863 -7.024 10.470 1.00 0.00 N ATOM 939 CA PRO A 64 6.533 -8.343 9.928 1.00 0.00 C ATOM 940 C PRO A 64 5.113 -8.391 9.375 1.00 0.00 C ATOM 941 O PRO A 64 4.197 -8.892 10.027 1.00 0.00 O ATOM 942 CB PRO A 64 6.676 -9.263 11.137 1.00 0.00 C ATOM 943 CG PRO A 64 6.361 -8.394 12.305 1.00 0.00 C ATOM 944 CD PRO A 64 6.851 -7.016 11.946 1.00 0.00 C ATOM 0 HA PRO A 64 7.173 -8.622 9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.991 -10.109 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.684 -9.673 11.207 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.290 -8.386 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.853 -8.760 13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.191 -6.242 12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.844 -6.825 12.354 1.00 0.00 H new ATOM 952 N PHE A 65 4.941 -7.859 8.172 1.00 0.00 N ATOM 953 CA PHE A 65 3.635 -7.829 7.523 1.00 0.00 C ATOM 954 C PHE A 65 3.269 -9.193 6.953 1.00 0.00 C ATOM 955 O PHE A 65 4.128 -9.914 6.446 1.00 0.00 O ATOM 956 CB PHE A 65 3.632 -6.809 6.385 1.00 0.00 C ATOM 957 CG PHE A 65 2.799 -5.588 6.651 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.452 -5.596 6.348 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.352 -4.441 7.200 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.665 -4.491 6.584 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.568 -3.329 7.440 1.00 0.00 C ATOM 962 CZ PHE A 65 1.222 -3.354 7.130 1.00 0.00 C ATOM 0 H PHE A 65 5.692 -7.441 7.623 1.00 0.00 H new ATOM 0 HA PHE A 65 2.902 -7.550 8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.658 -6.499 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.267 -7.293 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.009 -6.483 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.404 -4.417 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.387 -4.515 6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.007 -2.441 7.870 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.608 -2.485 7.315 1.00 0.00 H new ATOM 972 N LYS A 66 1.986 -9.529 7.015 1.00 0.00 N ATOM 973 CA LYS A 66 1.501 -10.793 6.477 1.00 0.00 C ATOM 974 C LYS A 66 1.566 -10.772 4.953 1.00 0.00 C ATOM 975 O LYS A 66 0.539 -10.795 4.262 1.00 0.00 O ATOM 976 CB LYS A 66 0.074 -11.070 6.940 1.00 0.00 C ATOM 977 CG LYS A 66 -0.065 -11.184 8.451 1.00 0.00 C ATOM 978 CD LYS A 66 0.770 -12.326 9.002 1.00 0.00 C ATOM 979 CE LYS A 66 0.624 -12.447 10.511 1.00 0.00 C ATOM 980 NZ LYS A 66 1.433 -13.570 11.061 1.00 0.00 N ATOM 0 H LYS A 66 1.263 -8.943 7.433 1.00 0.00 H new ATOM 0 HA LYS A 66 2.141 -11.593 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.576 -10.271 6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.275 -11.995 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.243 -10.248 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.112 -11.339 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.466 -13.260 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.818 -12.167 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.933 -11.513 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.426 -12.599 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.305 -13.618 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.122 -14.465 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.438 -13.413 10.844 1.00 0.00 H new ATOM 994 N SER A 67 2.786 -10.715 4.442 1.00 0.00 N ATOM 995 CA SER A 67 3.021 -10.688 3.010 1.00 0.00 C ATOM 996 C SER A 67 2.396 -9.460 2.350 1.00 0.00 C ATOM 997 O SER A 67 1.500 -8.812 2.904 1.00 0.00 O ATOM 998 CB SER A 67 2.500 -11.969 2.363 1.00 0.00 C ATOM 999 OG SER A 67 3.053 -13.116 2.986 1.00 0.00 O ATOM 0 H SER A 67 3.635 -10.686 5.006 1.00 0.00 H new ATOM 0 HA SER A 67 4.098 -10.624 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.413 -12.001 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.749 -11.972 1.302 1.00 0.00 H new ATOM 0 HG SER A 67 2.703 -13.923 2.555 1.00 0.00 H new ATOM 1005 N ALA A 68 2.892 -9.145 1.159 1.00 0.00 N ATOM 1006 CA ALA A 68 2.419 -8.000 0.392 1.00 0.00 C ATOM 1007 C ALA A 68 0.902 -8.005 0.252 1.00 0.00 C ATOM 1008 O ALA A 68 0.280 -6.951 0.117 1.00 0.00 O ATOM 1009 CB ALA A 68 3.085 -7.995 -0.976 1.00 0.00 C ATOM 0 H ALA A 68 3.632 -9.675 0.699 1.00 0.00 H new ATOM 0 HA ALA A 68 2.689 -7.091 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.731 -7.138 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.166 -7.929 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.835 -8.914 -1.506 1.00 0.00 H new ATOM 1015 N GLU A 69 0.309 -9.191 0.281 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.136 -9.315 0.153 1.00 0.00 C ATOM 1017 C GLU A 69 -1.860 -8.587 1.285 1.00 0.00 C ATOM 1018 O GLU A 69 -2.796 -7.820 1.032 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.547 -10.786 0.128 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.135 -11.547 1.364 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.439 -13.028 1.270 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.625 -13.383 1.109 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.490 -13.837 1.358 1.00 0.00 O ATOM 0 H GLU A 69 0.803 -10.076 0.391 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.426 -8.849 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.629 -10.851 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.106 -11.263 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.067 -11.410 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.648 -11.130 2.230 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.441 -8.813 2.536 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.098 -8.148 3.648 1.00 0.00 C ATOM 1032 C GLU A 70 -1.817 -6.655 3.601 1.00 0.00 C ATOM 1033 O GLU A 70 -2.656 -5.847 3.988 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.709 -8.762 5.002 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.530 -8.099 5.685 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.814 -7.773 7.141 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.058 -8.715 7.923 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.784 -6.579 7.503 1.00 0.00 O ATOM 0 H GLU A 70 -0.673 -9.433 2.791 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.173 -8.299 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.571 -8.714 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.479 -9.817 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.338 -8.756 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.274 -7.183 5.153 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.639 -6.291 3.107 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.275 -4.883 2.992 1.00 0.00 C ATOM 1047 C VAL A 71 -1.228 -4.162 2.045 1.00 0.00 C ATOM 1048 O VAL A 71 -1.641 -3.036 2.304 1.00 0.00 O ATOM 1049 CB VAL A 71 1.165 -4.704 2.485 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.479 -3.235 2.245 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.150 -5.301 3.470 1.00 0.00 C ATOM 0 H VAL A 71 0.074 -6.944 2.782 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.346 -4.453 3.991 1.00 0.00 H new ATOM 0 HB VAL A 71 1.258 -5.230 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.504 -3.136 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.793 -2.834 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.365 -2.682 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.165 -5.166 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.049 -4.802 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.946 -6.365 3.589 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.570 -4.821 0.943 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.472 -4.239 -0.041 1.00 0.00 C ATOM 1063 C ALA A 72 -3.831 -3.930 0.579 1.00 0.00 C ATOM 1064 O ALA A 72 -4.342 -2.817 0.455 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.631 -5.177 -1.230 1.00 0.00 C ATOM 0 H ALA A 72 -1.236 -5.756 0.710 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.038 -3.301 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.308 -4.730 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.659 -5.345 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.040 -6.128 -0.891 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.409 -4.922 1.248 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.711 -4.753 1.890 1.00 0.00 C ATOM 1073 C ASP A 73 -5.628 -3.776 3.063 1.00 0.00 C ATOM 1074 O ASP A 73 -6.536 -2.979 3.289 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.241 -6.102 2.374 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.416 -7.095 1.241 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.411 -7.415 0.571 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.558 -7.553 1.024 1.00 0.00 O ATOM 0 H ASP A 73 -3.999 -5.849 1.361 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.397 -4.341 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.554 -6.515 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.198 -5.955 2.875 1.00 0.00 H new ATOM 1083 N THR A 74 -4.536 -3.860 3.812 1.00 0.00 N ATOM 1084 CA THR A 74 -4.319 -3.005 4.974 1.00 0.00 C ATOM 1085 C THR A 74 -4.177 -1.535 4.583 1.00 0.00 C ATOM 1086 O THR A 74 -4.848 -0.666 5.141 1.00 0.00 O ATOM 1087 CB THR A 74 -3.057 -3.448 5.744 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.214 -4.794 6.208 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.779 -2.531 6.927 1.00 0.00 C ATOM 0 H THR A 74 -3.778 -4.519 3.633 1.00 0.00 H new ATOM 0 HA THR A 74 -5.197 -3.108 5.612 1.00 0.00 H new ATOM 0 HB THR A 74 -2.211 -3.391 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.372 -5.387 5.444 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.884 -2.870 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.627 -1.512 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.627 -2.553 7.611 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.291 -1.261 3.633 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.046 0.102 3.177 1.00 0.00 C ATOM 1099 C ILE A 75 -4.325 0.769 2.671 1.00 0.00 C ATOM 1100 O ILE A 75 -4.689 1.853 3.124 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.977 0.128 2.061 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.606 -0.241 2.633 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.928 1.493 1.387 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.501 -0.250 1.601 1.00 0.00 C ATOM 0 H ILE A 75 -2.728 -1.969 3.161 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.682 0.662 4.038 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.250 -0.610 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.349 0.466 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.668 -1.226 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.168 1.486 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.900 1.716 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.681 2.255 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.442 -0.520 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.268 -0.977 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.591 0.741 1.156 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.993 0.123 1.725 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.219 0.667 1.155 1.00 0.00 C ATOM 1118 C VAL A 76 -7.281 0.934 2.220 1.00 0.00 C ATOM 1119 O VAL A 76 -7.985 1.942 2.162 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.799 -0.264 0.072 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.974 -0.169 -1.202 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.857 -1.702 0.568 1.00 0.00 C ATOM 0 H VAL A 76 -4.708 -0.776 1.337 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.946 1.618 0.698 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.817 0.058 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.395 -0.832 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.989 0.857 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.946 -0.464 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.270 -2.340 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.852 -2.041 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.491 -1.756 1.453 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.401 0.031 3.186 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.393 0.184 4.249 1.00 0.00 C ATOM 1134 C ASN A 77 -8.097 1.395 5.133 1.00 0.00 C ATOM 1135 O ASN A 77 -8.965 2.243 5.347 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.447 -1.082 5.111 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.937 -2.315 4.360 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.995 -3.406 4.927 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -9.296 -2.161 3.086 1.00 0.00 N ATOM 0 H ASN A 77 -6.829 -0.810 3.257 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.360 0.344 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.452 -1.282 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.102 -0.903 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.631 -2.962 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.236 -1.243 2.647 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.878 1.465 5.658 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.478 2.561 6.534 1.00 0.00 C ATOM 1148 C LYS A 78 -6.268 3.859 5.761 1.00 0.00 C ATOM 1149 O LYS A 78 -6.608 4.941 6.241 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.194 2.191 7.269 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.297 0.891 8.051 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.038 0.621 8.861 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.849 1.657 9.958 1.00 0.00 C ATOM 1154 NZ LYS A 78 -2.612 1.409 10.749 1.00 0.00 N ATOM 0 H LYS A 78 -6.147 0.773 5.491 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.285 2.724 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.382 2.108 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.931 2.998 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.157 0.935 8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.471 0.064 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.095 -0.373 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.171 0.626 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.803 2.651 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.713 1.644 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.858 1.306 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.154 0.537 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.959 2.210 10.632 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.680 3.748 4.577 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.395 4.919 3.753 1.00 0.00 C ATOM 1170 C ALA A 79 -6.668 5.594 3.250 1.00 0.00 C ATOM 1171 O ALA A 79 -6.688 6.807 3.041 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.511 4.529 2.579 1.00 0.00 C ATOM 0 H ALA A 79 -5.391 2.861 4.165 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.871 5.640 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.304 5.410 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.573 4.117 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.021 3.781 1.972 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.730 4.817 3.055 1.00 0.00 N ATOM 1179 CA GLY A 80 -8.976 5.394 2.581 1.00 0.00 C ATOM 1180 C GLY A 80 -9.882 4.384 1.914 1.00 0.00 C ATOM 1181 O GLY A 80 -11.039 4.220 2.295 1.00 0.00 O ATOM 0 H GLY A 80 -7.751 3.810 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.503 5.846 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.753 6.195 1.876 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.346 3.722 0.901 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.092 2.731 0.143 1.00 0.00 C ATOM 1187 C LEU A 81 -10.427 1.514 1.000 1.00 0.00 C ATOM 1188 O LEU A 81 -9.659 0.532 0.959 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.270 2.320 -1.075 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.757 3.491 -1.913 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.683 3.022 -2.884 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.902 4.148 -2.667 1.00 0.00 C ATOM 1193 OXT LEU A 81 -11.457 1.555 1.705 1.00 0.00 O ATOM 0 H LEU A 81 -8.386 3.856 0.582 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.037 3.168 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.418 1.727 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.879 1.675 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.317 4.228 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.329 3.869 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.850 2.595 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.100 2.266 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.519 4.980 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.369 3.418 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.641 4.518 -1.956 1.00 0.00 H new