USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 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 154:sc= -0.137 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 147:sc= 1.09 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.3!) USER MOD Single : A 25 ASN : amide:sc= -9.4! C(o=-9.4!,f=-19!) USER MOD Single : A 26 SER OG : rot -62:sc= 1.15 USER MOD Single : A 31 MET CE :methyl -115:sc= -3.83! (180deg=-4.52!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 160:sc= -2.29 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0404 (180deg=-0.235) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.395 K(o=0.39,f=-0.85) USER MOD Single : A 59 THR OG1 : rot 25:sc= -0.738 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0.682 (180deg=0.548) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 62:sc= 1.05 USER MOD Single : A 77 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.64) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0458 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.263 0.946 -8.218 1.00 0.00 N ATOM 103 CA VAL A 5 -9.811 0.858 -8.327 1.00 0.00 C ATOM 104 C VAL A 5 -9.178 0.458 -7.003 1.00 0.00 C ATOM 105 O VAL A 5 -7.986 0.247 -6.943 1.00 0.00 O ATOM 106 CB VAL A 5 -9.162 2.171 -8.810 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.967 3.138 -7.653 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.836 1.931 -9.511 1.00 0.00 C ATOM 0 HA VAL A 5 -9.623 0.089 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.848 2.612 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.508 4.056 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.934 3.369 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.320 2.683 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.417 2.884 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.144 1.444 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.994 1.292 -10.380 1.00 0.00 H new ATOM 118 N LYS A 6 -9.955 0.366 -5.931 1.00 0.00 N ATOM 119 CA LYS A 6 -9.376 0.000 -4.643 1.00 0.00 C ATOM 120 C LYS A 6 -8.433 -1.180 -4.845 1.00 0.00 C ATOM 121 O LYS A 6 -7.272 -1.148 -4.426 1.00 0.00 O ATOM 122 CB LYS A 6 -10.495 -0.345 -3.649 1.00 0.00 C ATOM 123 CG LYS A 6 -10.025 -0.982 -2.346 1.00 0.00 C ATOM 124 CD LYS A 6 -9.753 -2.470 -2.512 1.00 0.00 C ATOM 125 CE LYS A 6 -9.626 -3.166 -1.165 1.00 0.00 C ATOM 126 NZ LYS A 6 -9.349 -4.621 -1.315 1.00 0.00 N ATOM 0 H LYS A 6 -10.961 0.534 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.810 0.836 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.045 0.566 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.196 -1.023 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.119 -0.483 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.781 -0.834 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.560 -2.927 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.836 -2.612 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.825 -2.701 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.546 -3.028 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.270 -5.058 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.126 -5.070 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.458 -4.753 -1.834 1.00 0.00 H new ATOM 140 N GLU A 7 -8.923 -2.193 -5.541 1.00 0.00 N ATOM 141 CA GLU A 7 -8.118 -3.360 -5.856 1.00 0.00 C ATOM 142 C GLU A 7 -7.149 -3.066 -7.008 1.00 0.00 C ATOM 143 O GLU A 7 -6.077 -3.659 -7.084 1.00 0.00 O ATOM 144 CB GLU A 7 -9.014 -4.549 -6.211 1.00 0.00 C ATOM 145 CG GLU A 7 -8.242 -5.814 -6.555 1.00 0.00 C ATOM 146 CD GLU A 7 -7.408 -6.327 -5.397 1.00 0.00 C ATOM 147 OE1 GLU A 7 -7.451 -5.704 -4.314 1.00 0.00 O ATOM 148 OE2 GLU A 7 -6.709 -7.347 -5.570 1.00 0.00 O ATOM 0 H GLU A 7 -9.877 -2.230 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.532 -3.612 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.678 -4.756 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.645 -4.277 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.943 -6.589 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.591 -5.616 -7.406 1.00 0.00 H new ATOM 155 N ASP A 8 -7.545 -2.166 -7.918 1.00 0.00 N ATOM 156 CA ASP A 8 -6.709 -1.823 -9.075 1.00 0.00 C ATOM 157 C ASP A 8 -5.415 -1.106 -8.668 1.00 0.00 C ATOM 158 O ASP A 8 -4.314 -1.532 -9.028 1.00 0.00 O ATOM 159 CB ASP A 8 -7.505 -0.977 -10.060 1.00 0.00 C ATOM 160 CG ASP A 8 -8.499 -1.796 -10.861 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.565 -3.024 -10.644 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.211 -1.210 -11.703 1.00 0.00 O ATOM 0 H ASP A 8 -8.433 -1.666 -7.876 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.415 -2.756 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.037 -0.197 -9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.818 -0.477 -10.743 1.00 0.00 H new ATOM 167 N ILE A 9 -5.550 -0.044 -7.883 1.00 0.00 N ATOM 168 CA ILE A 9 -4.408 0.702 -7.393 1.00 0.00 C ATOM 169 C ILE A 9 -3.556 -0.212 -6.525 1.00 0.00 C ATOM 170 O ILE A 9 -2.355 -0.352 -6.756 1.00 0.00 O ATOM 171 CB ILE A 9 -4.852 1.963 -6.607 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.225 3.086 -7.573 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.764 2.431 -5.656 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.723 4.337 -6.882 1.00 0.00 C ATOM 0 H ILE A 9 -6.451 0.319 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.818 1.049 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.728 1.697 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.354 3.337 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.995 2.726 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.106 3.316 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.539 1.639 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.865 2.674 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.969 5.092 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.613 4.101 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.946 4.721 -6.220 1.00 0.00 H new ATOM 186 N ARG A 10 -4.184 -0.881 -5.556 1.00 0.00 N ATOM 187 CA ARG A 10 -3.448 -1.818 -4.721 1.00 0.00 C ATOM 188 C ARG A 10 -2.816 -2.872 -5.604 1.00 0.00 C ATOM 189 O ARG A 10 -1.780 -3.438 -5.263 1.00 0.00 O ATOM 190 CB ARG A 10 -4.339 -2.465 -3.657 1.00 0.00 C ATOM 191 CG ARG A 10 -3.931 -2.105 -2.247 1.00 0.00 C ATOM 192 CD ARG A 10 -4.215 -0.645 -1.974 1.00 0.00 C ATOM 193 NE ARG A 10 -3.272 0.255 -2.637 1.00 0.00 N ATOM 194 CZ ARG A 10 -3.295 1.580 -2.516 1.00 0.00 C ATOM 195 NH1 ARG A 10 -4.143 2.163 -1.682 1.00 0.00 N ATOM 196 NH2 ARG A 10 -2.452 2.322 -3.220 1.00 0.00 N ATOM 0 H ARG A 10 -5.176 -0.792 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.673 -1.269 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.372 -2.158 -3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.307 -3.548 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.473 -2.727 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.870 -2.309 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.227 -0.410 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.182 -0.469 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.552 -0.159 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.784 1.596 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.155 3.179 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.787 1.877 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.468 3.338 -3.129 1.00 0.00 H new ATOM 210 N GLY A 11 -3.415 -3.096 -6.769 1.00 0.00 N ATOM 211 CA GLY A 11 -2.844 -4.042 -7.700 1.00 0.00 C ATOM 212 C GLY A 11 -1.460 -3.576 -8.079 1.00 0.00 C ATOM 213 O GLY A 11 -0.522 -4.367 -8.197 1.00 0.00 O ATOM 0 H GLY A 11 -4.275 -2.644 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.798 -5.034 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.471 -4.123 -8.588 1.00 0.00 H new ATOM 217 N GLN A 12 -1.346 -2.259 -8.230 1.00 0.00 N ATOM 218 CA GLN A 12 -0.085 -1.621 -8.555 1.00 0.00 C ATOM 219 C GLN A 12 0.887 -1.721 -7.378 1.00 0.00 C ATOM 220 O GLN A 12 2.093 -1.874 -7.575 1.00 0.00 O ATOM 221 CB GLN A 12 -0.321 -0.154 -8.922 1.00 0.00 C ATOM 222 CG GLN A 12 -1.226 0.032 -10.129 1.00 0.00 C ATOM 223 CD GLN A 12 -1.437 1.491 -10.482 1.00 0.00 C ATOM 224 OE1 GLN A 12 -1.971 2.264 -9.687 1.00 0.00 O ATOM 225 NE2 GLN A 12 -1.019 1.875 -11.683 1.00 0.00 N ATOM 0 H GLN A 12 -2.127 -1.610 -8.130 1.00 0.00 H new ATOM 0 HA GLN A 12 0.355 -2.135 -9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.759 0.360 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.639 0.321 -9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.794 -0.486 -10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.192 -0.433 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.581 1.200 -12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.136 2.845 -11.978 1.00 0.00 H new ATOM 234 N ILE A 13 0.359 -1.645 -6.150 1.00 0.00 N ATOM 235 CA ILE A 13 1.201 -1.741 -4.958 1.00 0.00 C ATOM 236 C ILE A 13 1.735 -3.161 -4.802 1.00 0.00 C ATOM 237 O ILE A 13 2.906 -3.356 -4.502 1.00 0.00 O ATOM 238 CB ILE A 13 0.464 -1.329 -3.654 1.00 0.00 C ATOM 239 CG1 ILE A 13 0.109 0.167 -3.664 1.00 0.00 C ATOM 240 CG2 ILE A 13 1.313 -1.664 -2.427 1.00 0.00 C ATOM 241 CD1 ILE A 13 -0.348 0.691 -2.311 1.00 0.00 C ATOM 0 H ILE A 13 -0.635 -1.519 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 13 2.021 -1.038 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.465 -1.897 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.979 0.737 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.679 0.341 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.780 -1.368 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.506 -2.737 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.260 -1.127 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.582 1.753 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.237 0.147 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.447 0.549 -1.579 1.00 0.00 H new ATOM 253 N ILE A 14 0.869 -4.147 -5.005 1.00 0.00 N ATOM 254 CA ILE A 14 1.264 -5.545 -4.886 1.00 0.00 C ATOM 255 C ILE A 14 2.465 -5.842 -5.780 1.00 0.00 C ATOM 256 O ILE A 14 3.484 -6.353 -5.315 1.00 0.00 O ATOM 257 CB ILE A 14 0.089 -6.486 -5.235 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.925 -6.511 -4.089 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.582 -7.896 -5.540 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.333 -6.960 -2.771 1.00 0.00 C ATOM 0 H ILE A 14 -0.110 -4.004 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 14 1.548 -5.726 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.398 -6.102 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.349 -5.514 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.746 -7.176 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.268 -8.534 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.267 -7.867 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.100 -8.297 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.107 -6.954 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.066 -7.969 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.469 -6.281 -2.482 1.00 0.00 H new ATOM 272 N GLY A 15 2.353 -5.492 -7.057 1.00 0.00 N ATOM 273 CA GLY A 15 3.457 -5.708 -7.973 1.00 0.00 C ATOM 274 C GLY A 15 4.659 -4.877 -7.577 1.00 0.00 C ATOM 275 O GLY A 15 5.804 -5.318 -7.687 1.00 0.00 O ATOM 0 H GLY A 15 1.524 -5.066 -7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.727 -6.764 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.150 -5.450 -8.986 1.00 0.00 H new ATOM 279 N ALA A 16 4.380 -3.668 -7.104 1.00 0.00 N ATOM 280 CA ALA A 16 5.413 -2.740 -6.663 1.00 0.00 C ATOM 281 C ALA A 16 6.164 -3.280 -5.446 1.00 0.00 C ATOM 282 O ALA A 16 7.310 -2.911 -5.192 1.00 0.00 O ATOM 283 CB ALA A 16 4.779 -1.392 -6.339 1.00 0.00 C ATOM 0 H ALA A 16 3.431 -3.304 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 16 6.137 -2.619 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.551 -0.697 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.291 -0.996 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.041 -1.518 -5.547 1.00 0.00 H new ATOM 289 N LEU A 17 5.497 -4.150 -4.694 1.00 0.00 N ATOM 290 CA LEU A 17 6.065 -4.746 -3.493 1.00 0.00 C ATOM 291 C LEU A 17 6.885 -5.985 -3.834 1.00 0.00 C ATOM 292 O LEU A 17 7.837 -6.326 -3.134 1.00 0.00 O ATOM 293 CB LEU A 17 4.939 -5.113 -2.524 1.00 0.00 C ATOM 294 CG LEU A 17 4.213 -3.923 -1.885 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.845 -4.338 -1.364 1.00 0.00 C ATOM 296 CD2 LEU A 17 5.049 -3.332 -0.758 1.00 0.00 C ATOM 0 H LEU A 17 4.548 -4.461 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 17 6.729 -4.020 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.207 -5.721 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.353 -5.734 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 17 4.071 -3.162 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.350 -3.477 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.241 -4.715 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.963 -5.120 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.519 -2.489 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.222 -4.092 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.006 -2.992 -1.154 1.00 0.00 H new ATOM 308 N ALA A 18 6.496 -6.654 -4.911 1.00 0.00 N ATOM 309 CA ALA A 18 7.180 -7.867 -5.354 1.00 0.00 C ATOM 310 C ALA A 18 8.652 -7.604 -5.666 1.00 0.00 C ATOM 311 O ALA A 18 9.027 -7.435 -6.828 1.00 0.00 O ATOM 312 CB ALA A 18 6.480 -8.448 -6.574 1.00 0.00 C ATOM 0 H ALA A 18 5.708 -6.378 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 18 7.139 -8.588 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.998 -9.351 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.449 -8.692 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.491 -7.717 -7.382 1.00 0.00 H new ATOM 318 N GLY A 19 9.484 -7.572 -4.627 1.00 0.00 N ATOM 319 CA GLY A 19 10.903 -7.330 -4.822 1.00 0.00 C ATOM 320 C GLY A 19 11.658 -7.158 -3.517 1.00 0.00 C ATOM 321 O GLY A 19 12.811 -7.570 -3.397 1.00 0.00 O ATOM 0 H GLY A 19 9.201 -7.709 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.335 -8.162 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.033 -6.436 -5.432 1.00 0.00 H new ATOM 325 N ALA A 20 11.007 -6.533 -2.541 1.00 0.00 N ATOM 326 CA ALA A 20 11.615 -6.284 -1.235 1.00 0.00 C ATOM 327 C ALA A 20 12.170 -7.555 -0.617 1.00 0.00 C ATOM 328 O ALA A 20 12.172 -8.617 -1.238 1.00 0.00 O ATOM 329 CB ALA A 20 10.586 -5.672 -0.298 1.00 0.00 C ATOM 0 H ALA A 20 10.052 -6.187 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 20 12.445 -5.593 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.043 -5.488 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.229 -4.730 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.747 -6.358 -0.180 1.00 0.00 H new ATOM 335 N ASP A 21 12.607 -7.431 0.632 1.00 0.00 N ATOM 336 CA ASP A 21 13.130 -8.561 1.385 1.00 0.00 C ATOM 337 C ASP A 21 12.029 -9.617 1.500 1.00 0.00 C ATOM 338 O ASP A 21 11.519 -10.077 0.479 1.00 0.00 O ATOM 339 CB ASP A 21 13.608 -8.070 2.754 1.00 0.00 C ATOM 340 CG ASP A 21 15.005 -7.483 2.695 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.223 -6.548 1.894 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.882 -7.956 3.447 1.00 0.00 O ATOM 0 H ASP A 21 12.608 -6.550 1.146 1.00 0.00 H new ATOM 0 HA ASP A 21 13.984 -9.014 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.915 -7.318 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.594 -8.899 3.461 1.00 0.00 H new ATOM 347 N PHE A 22 11.608 -9.977 2.713 1.00 0.00 N ATOM 348 CA PHE A 22 10.518 -10.931 2.842 1.00 0.00 C ATOM 349 C PHE A 22 9.312 -10.318 2.149 1.00 0.00 C ATOM 350 O PHE A 22 9.408 -9.204 1.635 1.00 0.00 O ATOM 351 CB PHE A 22 10.233 -11.263 4.327 1.00 0.00 C ATOM 352 CG PHE A 22 9.455 -10.217 5.096 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.239 -9.758 4.616 1.00 0.00 C ATOM 354 CD2 PHE A 22 9.927 -9.698 6.296 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.521 -8.806 5.312 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.218 -8.750 6.992 1.00 0.00 C ATOM 357 CZ PHE A 22 8.040 -8.294 6.516 1.00 0.00 C ATOM 0 H PHE A 22 11.994 -9.633 3.592 1.00 0.00 H new ATOM 0 HA PHE A 22 10.775 -11.882 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.683 -12.203 4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.185 -11.426 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.849 -10.149 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.870 -10.047 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.570 -8.458 4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.605 -8.367 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.495 -7.536 7.059 1.00 0.00 H new ATOM 367 N PRO A 23 8.160 -10.990 2.112 1.00 0.00 N ATOM 368 CA PRO A 23 6.985 -10.421 1.466 1.00 0.00 C ATOM 369 C PRO A 23 6.475 -9.166 2.184 1.00 0.00 C ATOM 370 O PRO A 23 5.363 -9.173 2.708 1.00 0.00 O ATOM 371 CB PRO A 23 5.956 -11.551 1.531 1.00 0.00 C ATOM 372 CG PRO A 23 6.383 -12.377 2.689 1.00 0.00 C ATOM 373 CD PRO A 23 7.885 -12.323 2.689 1.00 0.00 C ATOM 0 HA PRO A 23 7.197 -10.090 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.948 -11.162 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.947 -12.133 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.976 -11.986 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.027 -13.403 2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.294 -12.422 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.319 -13.122 2.088 1.00 0.00 H new ATOM 381 N ILE A 24 7.295 -8.086 2.177 1.00 0.00 N ATOM 382 CA ILE A 24 6.939 -6.783 2.783 1.00 0.00 C ATOM 383 C ILE A 24 7.684 -6.440 4.085 1.00 0.00 C ATOM 384 O ILE A 24 7.062 -6.249 5.131 1.00 0.00 O ATOM 385 CB ILE A 24 5.422 -6.666 3.015 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.697 -6.822 1.681 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.074 -5.340 3.668 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.266 -5.938 0.601 1.00 0.00 C ATOM 0 H ILE A 24 8.221 -8.096 1.750 1.00 0.00 H new ATOM 0 HA ILE A 24 7.267 -6.052 2.044 1.00 0.00 H new ATOM 0 HB ILE A 24 5.101 -7.458 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.755 -7.862 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.641 -6.588 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.996 -5.282 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.582 -5.263 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.393 -4.522 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.711 -6.091 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.184 -4.894 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.315 -6.188 0.441 1.00 0.00 H new ATOM 400 N ASN A 25 9.004 -6.322 4.006 1.00 0.00 N ATOM 401 CA ASN A 25 9.830 -5.962 5.169 1.00 0.00 C ATOM 402 C ASN A 25 9.518 -4.565 5.685 1.00 0.00 C ATOM 403 O ASN A 25 10.373 -3.681 5.639 1.00 0.00 O ATOM 404 CB ASN A 25 11.300 -6.015 4.795 1.00 0.00 C ATOM 405 CG ASN A 25 11.920 -7.362 5.075 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.489 -8.381 4.547 1.00 0.00 O ATOM 407 ND2 ASN A 25 12.946 -7.364 5.919 1.00 0.00 N ATOM 0 H ASN A 25 9.534 -6.470 3.147 1.00 0.00 H new ATOM 0 HA ASN A 25 9.602 -6.682 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.411 -5.781 3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.840 -5.248 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.412 -8.241 6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.268 -6.489 6.333 1.00 0.00 H new ATOM 414 N SER A 26 8.306 -4.352 6.171 1.00 0.00 N ATOM 415 CA SER A 26 7.927 -3.040 6.672 1.00 0.00 C ATOM 416 C SER A 26 8.074 -2.020 5.554 1.00 0.00 C ATOM 417 O SER A 26 8.874 -2.203 4.637 1.00 0.00 O ATOM 418 CB SER A 26 8.793 -2.633 7.870 1.00 0.00 C ATOM 419 OG SER A 26 10.045 -2.101 7.461 1.00 0.00 O ATOM 0 H SER A 26 7.575 -5.061 6.229 1.00 0.00 H new ATOM 0 HA SER A 26 6.891 -3.079 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.261 -1.892 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.958 -3.500 8.510 1.00 0.00 H new ATOM 0 HG SER A 26 10.549 -2.787 6.976 1.00 0.00 H new ATOM 425 N PRO A 27 7.302 -0.938 5.590 1.00 0.00 N ATOM 426 CA PRO A 27 7.369 0.076 4.552 1.00 0.00 C ATOM 427 C PRO A 27 8.793 0.496 4.234 1.00 0.00 C ATOM 428 O PRO A 27 9.099 0.850 3.103 1.00 0.00 O ATOM 429 CB PRO A 27 6.552 1.231 5.125 1.00 0.00 C ATOM 430 CG PRO A 27 5.591 0.581 6.063 1.00 0.00 C ATOM 431 CD PRO A 27 6.298 -0.627 6.618 1.00 0.00 C ATOM 0 HA PRO A 27 6.983 -0.287 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.188 1.948 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.031 1.777 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.304 1.265 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.676 0.293 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.762 -0.414 7.581 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.611 -1.459 6.773 1.00 0.00 H new ATOM 439 N GLU A 28 9.671 0.440 5.218 1.00 0.00 N ATOM 440 CA GLU A 28 11.059 0.806 4.989 1.00 0.00 C ATOM 441 C GLU A 28 11.637 -0.006 3.830 1.00 0.00 C ATOM 442 O GLU A 28 12.114 0.543 2.833 1.00 0.00 O ATOM 443 CB GLU A 28 11.883 0.550 6.254 1.00 0.00 C ATOM 444 CG GLU A 28 11.322 1.235 7.492 1.00 0.00 C ATOM 445 CD GLU A 28 11.262 2.742 7.346 1.00 0.00 C ATOM 446 OE1 GLU A 28 12.328 3.362 7.142 1.00 0.00 O ATOM 447 OE2 GLU A 28 10.151 3.304 7.435 1.00 0.00 O ATOM 0 H GLU A 28 9.454 0.149 6.171 1.00 0.00 H new ATOM 0 HA GLU A 28 11.102 1.866 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.934 -0.524 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.904 0.894 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.321 0.853 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.939 0.981 8.354 1.00 0.00 H new ATOM 454 N GLU A 29 11.583 -1.321 3.974 1.00 0.00 N ATOM 455 CA GLU A 29 12.100 -2.228 2.968 1.00 0.00 C ATOM 456 C GLU A 29 11.192 -2.355 1.760 1.00 0.00 C ATOM 457 O GLU A 29 11.616 -2.116 0.636 1.00 0.00 O ATOM 458 CB GLU A 29 12.228 -3.585 3.573 1.00 0.00 C ATOM 459 CG GLU A 29 12.989 -4.549 2.686 1.00 0.00 C ATOM 460 CD GLU A 29 14.375 -4.043 2.336 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.179 -3.822 3.267 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.657 -3.867 1.132 1.00 0.00 O ATOM 0 H GLU A 29 11.181 -1.785 4.788 1.00 0.00 H new ATOM 0 HA GLU A 29 13.056 -1.823 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.735 -3.504 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.234 -3.986 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.073 -5.512 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.424 -4.717 1.769 1.00 0.00 H new ATOM 469 N LEU A 30 9.945 -2.763 1.989 1.00 0.00 N ATOM 470 CA LEU A 30 9.001 -2.945 0.895 1.00 0.00 C ATOM 471 C LEU A 30 8.988 -1.700 0.015 1.00 0.00 C ATOM 472 O LEU A 30 9.075 -1.795 -1.213 1.00 0.00 O ATOM 473 CB LEU A 30 7.604 -3.235 1.453 1.00 0.00 C ATOM 474 CG LEU A 30 6.904 -2.034 2.086 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.217 -1.185 1.028 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.905 -2.476 3.140 1.00 0.00 C ATOM 0 H LEU A 30 9.570 -2.971 2.914 1.00 0.00 H new ATOM 0 HA LEU A 30 9.309 -3.795 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.979 -3.619 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.683 -4.026 2.199 1.00 0.00 H new ATOM 0 HG LEU A 30 7.667 -1.426 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.726 -0.336 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.958 -0.822 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.474 -1.787 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.422 -1.600 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.151 -3.116 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.423 -3.029 3.923 1.00 0.00 H new ATOM 488 N MET A 31 8.936 -0.531 0.648 1.00 0.00 N ATOM 489 CA MET A 31 8.972 0.720 -0.089 1.00 0.00 C ATOM 490 C MET A 31 10.334 0.850 -0.751 1.00 0.00 C ATOM 491 O MET A 31 10.463 1.458 -1.814 1.00 0.00 O ATOM 492 CB MET A 31 8.726 1.917 0.833 1.00 0.00 C ATOM 493 CG MET A 31 8.351 3.197 0.103 1.00 0.00 C ATOM 494 SD MET A 31 8.376 4.644 1.184 1.00 0.00 S ATOM 495 CE MET A 31 7.260 4.145 2.493 1.00 0.00 C ATOM 0 H MET A 31 8.869 -0.428 1.661 1.00 0.00 H new ATOM 0 HA MET A 31 8.181 0.713 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.930 1.665 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.624 2.098 1.423 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.042 3.355 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.356 3.087 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.381 4.789 2.486 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.954 3.111 2.336 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.766 4.231 3.455 1.00 0.00 H new ATOM 505 N ALA A 32 11.358 0.262 -0.117 1.00 0.00 N ATOM 506 CA ALA A 32 12.705 0.311 -0.666 1.00 0.00 C ATOM 507 C ALA A 32 12.807 -0.527 -1.938 1.00 0.00 C ATOM 508 O ALA A 32 13.611 -0.236 -2.823 1.00 0.00 O ATOM 509 CB ALA A 32 13.716 -0.163 0.369 1.00 0.00 C ATOM 0 H ALA A 32 11.274 -0.245 0.764 1.00 0.00 H new ATOM 0 HA ALA A 32 12.930 1.346 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.719 -0.121 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.667 0.481 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.487 -1.189 0.658 1.00 0.00 H new ATOM 515 N ALA A 33 11.999 -1.581 -2.009 1.00 0.00 N ATOM 516 CA ALA A 33 12.004 -2.480 -3.153 1.00 0.00 C ATOM 517 C ALA A 33 11.372 -1.855 -4.388 1.00 0.00 C ATOM 518 O ALA A 33 11.843 -2.073 -5.504 1.00 0.00 O ATOM 519 CB ALA A 33 11.289 -3.766 -2.800 1.00 0.00 C ATOM 0 H ALA A 33 11.330 -1.832 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 33 13.046 -2.689 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.296 -4.435 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.796 -4.246 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.259 -3.545 -2.521 1.00 0.00 H new ATOM 525 N LEU A 34 10.290 -1.097 -4.186 1.00 0.00 N ATOM 526 CA LEU A 34 9.576 -0.456 -5.300 1.00 0.00 C ATOM 527 C LEU A 34 10.509 -0.169 -6.485 1.00 0.00 C ATOM 528 O LEU A 34 11.581 0.411 -6.320 1.00 0.00 O ATOM 529 CB LEU A 34 8.888 0.830 -4.826 1.00 0.00 C ATOM 530 CG LEU A 34 7.523 0.624 -4.155 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.597 -0.471 -3.106 1.00 0.00 C ATOM 532 CD2 LEU A 34 7.033 1.917 -3.522 1.00 0.00 C ATOM 0 H LEU A 34 9.889 -0.911 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 34 8.814 -1.153 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.548 1.340 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.759 1.492 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 34 6.814 0.321 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.618 -0.599 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.901 -1.406 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.325 -0.195 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.064 1.748 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.749 2.247 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.935 2.684 -4.290 1.00 0.00 H new ATOM 544 N PRO A 35 10.115 -0.612 -7.697 1.00 0.00 N ATOM 545 CA PRO A 35 10.914 -0.446 -8.925 1.00 0.00 C ATOM 546 C PRO A 35 11.245 1.006 -9.261 1.00 0.00 C ATOM 547 O PRO A 35 12.225 1.277 -9.955 1.00 0.00 O ATOM 548 CB PRO A 35 10.027 -1.051 -10.024 1.00 0.00 C ATOM 549 CG PRO A 35 8.659 -1.121 -9.434 1.00 0.00 C ATOM 550 CD PRO A 35 8.863 -1.340 -7.966 1.00 0.00 C ATOM 0 HA PRO A 35 11.887 -0.925 -8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.037 -0.433 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.381 -2.040 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.105 -0.201 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.083 -1.935 -9.875 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.033 -0.947 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.951 -2.399 -7.724 1.00 0.00 H new ATOM 605 N THR A 40 7.428 4.547 -5.438 1.00 0.00 N ATOM 606 CA THR A 40 6.501 4.763 -6.547 1.00 0.00 C ATOM 607 C THR A 40 5.107 5.106 -6.041 1.00 0.00 C ATOM 608 O THR A 40 4.635 4.539 -5.056 1.00 0.00 O ATOM 609 CB THR A 40 6.394 3.526 -7.458 1.00 0.00 C ATOM 610 OG1 THR A 40 5.444 3.766 -8.501 1.00 0.00 O ATOM 611 CG2 THR A 40 5.979 2.298 -6.663 1.00 0.00 C ATOM 0 HA THR A 40 6.904 5.597 -7.121 1.00 0.00 H new ATOM 0 HB THR A 40 7.376 3.341 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.383 2.975 -9.077 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.911 1.439 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.720 2.098 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.008 2.475 -6.200 1.00 0.00 H new ATOM 619 N THR A 41 4.445 6.030 -6.727 1.00 0.00 N ATOM 620 CA THR A 41 3.100 6.435 -6.350 1.00 0.00 C ATOM 621 C THR A 41 2.069 5.864 -7.318 1.00 0.00 C ATOM 622 O THR A 41 2.056 6.210 -8.499 1.00 0.00 O ATOM 623 CB THR A 41 2.963 7.969 -6.319 1.00 0.00 C ATOM 624 OG1 THR A 41 3.982 8.535 -5.488 1.00 0.00 O ATOM 625 CG2 THR A 41 1.595 8.381 -5.796 1.00 0.00 C ATOM 0 H THR A 41 4.818 6.511 -7.545 1.00 0.00 H new ATOM 0 HA THR A 41 2.917 6.042 -5.350 1.00 0.00 H new ATOM 0 HB THR A 41 3.074 8.340 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.168 9.453 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.523 9.469 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.820 7.973 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.461 7.997 -4.785 1.00 0.00 H new ATOM 633 N CYS A 42 1.198 4.996 -6.810 1.00 0.00 N ATOM 634 CA CYS A 42 0.153 4.390 -7.631 1.00 0.00 C ATOM 635 C CYS A 42 -1.101 5.258 -7.608 1.00 0.00 C ATOM 636 O CYS A 42 -2.215 4.758 -7.454 1.00 0.00 O ATOM 637 CB CYS A 42 -0.170 2.983 -7.122 1.00 0.00 C ATOM 638 SG CYS A 42 1.258 1.875 -7.060 1.00 0.00 S ATOM 0 H CYS A 42 1.195 4.697 -5.835 1.00 0.00 H new ATOM 0 HA CYS A 42 0.512 4.317 -8.658 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.601 3.059 -6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.931 2.541 -7.765 1.00 0.00 H new ATOM 0 HG CYS A 42 1.008 0.890 -6.249 1.00 0.00 H new ATOM 644 N LYS A 43 -0.904 6.565 -7.742 1.00 0.00 N ATOM 645 CA LYS A 43 -2.006 7.516 -7.718 1.00 0.00 C ATOM 646 C LYS A 43 -2.739 7.582 -9.049 1.00 0.00 C ATOM 647 O LYS A 43 -2.143 7.865 -10.089 1.00 0.00 O ATOM 648 CB LYS A 43 -1.484 8.903 -7.345 1.00 0.00 C ATOM 649 CG LYS A 43 -0.466 9.468 -8.321 1.00 0.00 C ATOM 650 CD LYS A 43 0.018 10.839 -7.874 1.00 0.00 C ATOM 651 CE LYS A 43 1.046 11.409 -8.839 1.00 0.00 C ATOM 652 NZ LYS A 43 0.495 11.562 -10.213 1.00 0.00 N ATOM 0 H LYS A 43 0.014 6.990 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.719 7.172 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.327 9.590 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.033 8.855 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.382 8.788 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.911 9.542 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.830 11.519 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.454 10.765 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.387 12.378 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.918 10.755 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.147 12.134 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.383 10.624 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.430 12.035 -10.165 1.00 0.00 H new ATOM 712 N GLU A 48 -4.172 9.948 -4.607 1.00 0.00 N ATOM 713 CA GLU A 48 -2.846 9.338 -4.536 1.00 0.00 C ATOM 714 C GLU A 48 -2.685 8.475 -3.288 1.00 0.00 C ATOM 715 O GLU A 48 -2.885 8.933 -2.165 1.00 0.00 O ATOM 716 CB GLU A 48 -1.745 10.407 -4.579 1.00 0.00 C ATOM 717 CG GLU A 48 -2.138 11.749 -3.976 1.00 0.00 C ATOM 718 CD GLU A 48 -2.643 11.643 -2.550 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.753 11.106 -2.351 1.00 0.00 O ATOM 720 OE2 GLU A 48 -1.930 12.098 -1.632 1.00 0.00 O ATOM 0 HA GLU A 48 -2.746 8.693 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.870 10.029 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.449 10.563 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.276 12.416 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.911 12.205 -4.595 1.00 0.00 H new ATOM 727 N LEU A 49 -2.314 7.214 -3.502 1.00 0.00 N ATOM 728 CA LEU A 49 -2.118 6.272 -2.410 1.00 0.00 C ATOM 729 C LEU A 49 -0.851 5.457 -2.634 1.00 0.00 C ATOM 730 O LEU A 49 -0.545 5.063 -3.759 1.00 0.00 O ATOM 731 CB LEU A 49 -3.313 5.323 -2.292 1.00 0.00 C ATOM 732 CG LEU A 49 -4.588 5.903 -1.676 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.341 6.325 -0.238 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.114 7.067 -2.502 1.00 0.00 C ATOM 0 H LEU A 49 -2.143 6.823 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.024 6.844 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.554 4.952 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.008 4.462 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.351 5.124 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.259 6.735 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.028 5.460 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.559 7.083 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.020 7.460 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.359 7.852 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.340 6.724 -3.512 1.00 0.00 H new ATOM 746 N LYS A 50 -0.119 5.201 -1.557 1.00 0.00 N ATOM 747 CA LYS A 50 1.111 4.426 -1.643 1.00 0.00 C ATOM 748 C LYS A 50 1.671 4.138 -0.256 1.00 0.00 C ATOM 749 O LYS A 50 0.997 4.354 0.752 1.00 0.00 O ATOM 750 CB LYS A 50 2.143 5.170 -2.497 1.00 0.00 C ATOM 751 CG LYS A 50 2.522 6.534 -1.945 1.00 0.00 C ATOM 752 CD LYS A 50 3.483 7.266 -2.867 1.00 0.00 C ATOM 753 CE LYS A 50 3.779 8.670 -2.360 1.00 0.00 C ATOM 754 NZ LYS A 50 4.782 9.373 -3.209 1.00 0.00 N ATOM 0 H LYS A 50 -0.355 5.518 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 50 0.885 3.471 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.042 4.559 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.747 5.293 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.622 7.134 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.979 6.415 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.413 6.703 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.057 7.322 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.856 9.249 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.147 8.615 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.570 10.391 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.734 9.224 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.743 8.995 -4.177 1.00 0.00 H new ATOM 768 N ALA A 51 2.900 3.642 -0.207 1.00 0.00 N ATOM 769 CA ALA A 51 3.540 3.314 1.058 1.00 0.00 C ATOM 770 C ALA A 51 3.788 4.562 1.902 1.00 0.00 C ATOM 771 O ALA A 51 3.511 4.579 3.096 1.00 0.00 O ATOM 772 CB ALA A 51 4.841 2.571 0.806 1.00 0.00 C ATOM 0 H ALA A 51 3.474 3.458 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 51 2.865 2.669 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.313 2.330 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.634 1.650 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.511 3.199 0.218 1.00 0.00 H new ATOM 778 N SER A 52 4.316 5.607 1.281 1.00 0.00 N ATOM 779 CA SER A 52 4.597 6.844 1.999 1.00 0.00 C ATOM 780 C SER A 52 3.309 7.567 2.395 1.00 0.00 C ATOM 781 O SER A 52 3.180 8.050 3.520 1.00 0.00 O ATOM 782 CB SER A 52 5.478 7.760 1.151 1.00 0.00 C ATOM 783 OG SER A 52 5.743 8.980 1.821 1.00 0.00 O ATOM 0 H SER A 52 4.557 5.625 0.290 1.00 0.00 H new ATOM 0 HA SER A 52 5.129 6.584 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.417 7.256 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.986 7.964 0.200 1.00 0.00 H new ATOM 0 HG SER A 52 6.310 9.547 1.257 1.00 0.00 H new ATOM 789 N ASP A 53 2.361 7.648 1.463 1.00 0.00 N ATOM 790 CA ASP A 53 1.091 8.323 1.719 1.00 0.00 C ATOM 791 C ASP A 53 0.247 7.577 2.750 1.00 0.00 C ATOM 792 O ASP A 53 -0.217 8.162 3.726 1.00 0.00 O ATOM 793 CB ASP A 53 0.294 8.459 0.417 1.00 0.00 C ATOM 794 CG ASP A 53 -1.014 9.203 0.612 1.00 0.00 C ATOM 795 OD1 ASP A 53 -1.851 8.733 1.409 1.00 0.00 O ATOM 796 OD2 ASP A 53 -1.198 10.257 -0.034 1.00 0.00 O ATOM 0 H ASP A 53 2.448 7.255 0.526 1.00 0.00 H new ATOM 0 HA ASP A 53 1.324 9.310 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.899 8.983 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.088 7.467 0.016 1.00 0.00 H new ATOM 801 N ALA A 54 0.025 6.290 2.510 1.00 0.00 N ATOM 802 CA ALA A 54 -0.794 5.479 3.404 1.00 0.00 C ATOM 803 C ALA A 54 0.036 4.695 4.417 1.00 0.00 C ATOM 804 O ALA A 54 -0.318 4.626 5.593 1.00 0.00 O ATOM 805 CB ALA A 54 -1.654 4.532 2.589 1.00 0.00 C ATOM 0 H ALA A 54 0.399 5.786 1.706 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.425 6.161 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.265 3.927 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.302 5.107 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.014 3.880 1.994 1.00 0.00 H new ATOM 811 N GLY A 55 1.125 4.086 3.955 1.00 0.00 N ATOM 812 CA GLY A 55 1.968 3.290 4.841 1.00 0.00 C ATOM 813 C GLY A 55 2.246 3.962 6.175 1.00 0.00 C ATOM 814 O GLY A 55 2.415 3.283 7.188 1.00 0.00 O ATOM 0 H GLY A 55 1.441 4.127 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.487 2.328 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.915 3.085 4.342 1.00 0.00 H new ATOM 818 N GLN A 56 2.288 5.293 6.184 1.00 0.00 N ATOM 819 CA GLN A 56 2.541 6.041 7.417 1.00 0.00 C ATOM 820 C GLN A 56 1.681 5.516 8.560 1.00 0.00 C ATOM 821 O GLN A 56 2.094 5.518 9.719 1.00 0.00 O ATOM 822 CB GLN A 56 2.260 7.531 7.216 1.00 0.00 C ATOM 823 CG GLN A 56 0.941 7.825 6.523 1.00 0.00 C ATOM 824 CD GLN A 56 0.603 9.305 6.536 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.412 9.898 7.597 1.00 0.00 O ATOM 826 NE2 GLN A 56 0.536 9.910 5.356 1.00 0.00 N ATOM 0 H GLN A 56 2.151 5.874 5.357 1.00 0.00 H new ATOM 0 HA GLN A 56 3.592 5.905 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.266 8.025 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.070 7.967 6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.988 7.474 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.143 7.268 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.702 9.379 4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.319 10.905 5.305 1.00 0.00 H new ATOM 835 N VAL A 57 0.479 5.078 8.218 1.00 0.00 N ATOM 836 CA VAL A 57 -0.461 4.557 9.196 1.00 0.00 C ATOM 837 C VAL A 57 0.048 3.265 9.830 1.00 0.00 C ATOM 838 O VAL A 57 -0.241 2.980 10.992 1.00 0.00 O ATOM 839 CB VAL A 57 -1.836 4.320 8.547 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.363 5.625 7.968 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.745 3.248 7.469 1.00 0.00 C ATOM 0 H VAL A 57 0.130 5.074 7.260 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.562 5.302 9.985 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.531 3.968 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.337 5.453 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.462 6.363 8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.668 5.996 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.728 3.096 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.042 3.565 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.400 2.314 7.913 1.00 0.00 H new ATOM 851 N LEU A 58 0.811 2.488 9.066 1.00 0.00 N ATOM 852 CA LEU A 58 1.357 1.230 9.566 1.00 0.00 C ATOM 853 C LEU A 58 2.376 1.488 10.674 1.00 0.00 C ATOM 854 O LEU A 58 3.333 2.239 10.487 1.00 0.00 O ATOM 855 CB LEU A 58 2.015 0.449 8.425 1.00 0.00 C ATOM 856 CG LEU A 58 1.188 0.366 7.140 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.911 -0.460 6.084 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.190 -0.212 7.429 1.00 0.00 C ATOM 0 H LEU A 58 1.064 2.706 8.102 1.00 0.00 H new ATOM 0 HA LEU A 58 0.538 0.640 9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.974 0.912 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.225 -0.563 8.771 1.00 0.00 H new ATOM 0 HG LEU A 58 1.060 1.375 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.305 -0.505 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.871 0.003 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.076 -1.469 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.764 -0.264 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.084 -1.213 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.710 0.426 8.143 1.00 0.00 H new ATOM 870 N THR A 59 2.163 0.864 11.828 1.00 0.00 N ATOM 871 CA THR A 59 3.063 1.027 12.966 1.00 0.00 C ATOM 872 C THR A 59 4.355 0.239 12.768 1.00 0.00 C ATOM 873 O THR A 59 4.389 -0.740 12.023 1.00 0.00 O ATOM 874 CB THR A 59 2.399 0.585 14.282 1.00 0.00 C ATOM 875 OG1 THR A 59 2.031 -0.797 14.208 1.00 0.00 O ATOM 876 CG2 THR A 59 1.165 1.427 14.575 1.00 0.00 C ATOM 0 H THR A 59 1.375 0.240 12.001 1.00 0.00 H new ATOM 0 HA THR A 59 3.297 2.090 13.029 1.00 0.00 H new ATOM 0 HB THR A 59 3.118 0.726 15.089 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.603 -1.253 13.556 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.712 1.096 15.510 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.452 2.475 14.661 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.446 1.313 13.764 1.00 0.00 H new ATOM 884 N ALA A 60 5.418 0.674 13.441 1.00 0.00 N ATOM 885 CA ALA A 60 6.717 0.012 13.342 1.00 0.00 C ATOM 886 C ALA A 60 6.595 -1.490 13.587 1.00 0.00 C ATOM 887 O ALA A 60 7.207 -2.294 12.886 1.00 0.00 O ATOM 888 CB ALA A 60 7.699 0.630 14.326 1.00 0.00 C ATOM 0 H ALA A 60 5.405 1.483 14.062 1.00 0.00 H new ATOM 0 HA ALA A 60 7.092 0.156 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.663 0.128 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.821 1.690 14.101 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.318 0.516 15.341 1.00 0.00 H new ATOM 894 N ASP A 61 5.796 -1.861 14.582 1.00 0.00 N ATOM 895 CA ASP A 61 5.588 -3.267 14.915 1.00 0.00 C ATOM 896 C ASP A 61 5.098 -4.051 13.697 1.00 0.00 C ATOM 897 O ASP A 61 5.252 -5.270 13.628 1.00 0.00 O ATOM 898 CB ASP A 61 4.581 -3.399 16.059 1.00 0.00 C ATOM 899 CG ASP A 61 5.043 -2.693 17.319 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.252 -1.462 17.266 1.00 0.00 O ATOM 901 OD2 ASP A 61 5.195 -3.369 18.357 1.00 0.00 O ATOM 0 H ASP A 61 5.281 -1.208 15.173 1.00 0.00 H new ATOM 0 HA ASP A 61 6.544 -3.683 15.232 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.622 -2.986 15.745 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.418 -4.455 16.276 1.00 0.00 H new ATOM 906 N ASP A 62 4.497 -3.341 12.747 1.00 0.00 N ATOM 907 CA ASP A 62 3.969 -3.956 11.531 1.00 0.00 C ATOM 908 C ASP A 62 5.069 -4.497 10.620 1.00 0.00 C ATOM 909 O ASP A 62 4.776 -4.971 9.522 1.00 0.00 O ATOM 910 CB ASP A 62 3.138 -2.944 10.748 1.00 0.00 C ATOM 911 CG ASP A 62 2.023 -2.336 11.578 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.868 -2.740 12.750 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.311 -1.451 11.059 1.00 0.00 O ATOM 0 H ASP A 62 4.362 -2.331 12.796 1.00 0.00 H new ATOM 0 HA ASP A 62 3.351 -4.796 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.789 -2.149 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.709 -3.432 9.872 1.00 0.00 H new ATOM 918 N PHE A 63 6.331 -4.412 11.048 1.00 0.00 N ATOM 919 CA PHE A 63 7.439 -4.887 10.223 1.00 0.00 C ATOM 920 C PHE A 63 7.100 -6.204 9.527 1.00 0.00 C ATOM 921 O PHE A 63 7.163 -6.288 8.306 1.00 0.00 O ATOM 922 CB PHE A 63 8.715 -5.046 11.056 1.00 0.00 C ATOM 923 CG PHE A 63 9.763 -4.014 10.753 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.462 -2.666 10.837 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.043 -4.391 10.384 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.420 -1.710 10.558 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.005 -3.440 10.105 1.00 0.00 C ATOM 928 CZ PHE A 63 11.709 -2.113 10.197 1.00 0.00 C ATOM 0 H PHE A 63 6.607 -4.023 11.950 1.00 0.00 H new ATOM 0 HA PHE A 63 7.613 -4.133 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.458 -4.991 12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.132 -6.038 10.881 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.467 -2.358 11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.292 -5.440 10.314 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.175 -0.660 10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.997 -3.750 9.812 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.469 -1.374 9.991 1.00 0.00 H new ATOM 938 N PRO A 64 6.718 -7.246 10.290 1.00 0.00 N ATOM 939 CA PRO A 64 6.358 -8.547 9.733 1.00 0.00 C ATOM 940 C PRO A 64 4.931 -8.563 9.193 1.00 0.00 C ATOM 941 O PRO A 64 4.020 -9.093 9.829 1.00 0.00 O ATOM 942 CB PRO A 64 6.501 -9.512 10.922 1.00 0.00 C ATOM 943 CG PRO A 64 6.903 -8.674 12.101 1.00 0.00 C ATOM 944 CD PRO A 64 6.591 -7.246 11.749 1.00 0.00 C ATOM 0 HA PRO A 64 6.989 -8.815 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.562 -10.031 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.251 -10.276 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.359 -8.979 12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.964 -8.795 12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.590 -6.958 12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.288 -6.551 12.217 1.00 0.00 H new ATOM 952 N PHE A 65 4.746 -7.973 8.018 1.00 0.00 N ATOM 953 CA PHE A 65 3.432 -7.912 7.391 1.00 0.00 C ATOM 954 C PHE A 65 3.055 -9.245 6.753 1.00 0.00 C ATOM 955 O PHE A 65 3.896 -9.922 6.163 1.00 0.00 O ATOM 956 CB PHE A 65 3.404 -6.825 6.317 1.00 0.00 C ATOM 957 CG PHE A 65 2.600 -5.614 6.692 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.229 -5.567 6.494 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.226 -4.525 7.262 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.507 -4.445 6.856 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.516 -3.404 7.624 1.00 0.00 C ATOM 962 CZ PHE A 65 1.074 -3.391 7.349 1.00 0.00 C ATOM 0 H PHE A 65 5.491 -7.530 7.480 1.00 0.00 H new ATOM 0 HA PHE A 65 2.710 -7.680 8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.427 -6.516 6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.998 -7.247 5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.721 -6.413 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.293 -4.553 7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.565 -4.448 6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.003 -2.562 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.490 -2.507 7.557 1.00 0.00 H new ATOM 972 N LYS A 66 1.780 -9.600 6.861 1.00 0.00 N ATOM 973 CA LYS A 66 1.272 -10.835 6.279 1.00 0.00 C ATOM 974 C LYS A 66 1.304 -10.758 4.754 1.00 0.00 C ATOM 975 O LYS A 66 0.262 -10.665 4.089 1.00 0.00 O ATOM 976 CB LYS A 66 -0.145 -11.124 6.771 1.00 0.00 C ATOM 977 CG LYS A 66 -0.225 -11.416 8.261 1.00 0.00 C ATOM 978 CD LYS A 66 -1.640 -11.783 8.688 1.00 0.00 C ATOM 979 CE LYS A 66 -2.612 -10.632 8.477 1.00 0.00 C ATOM 980 NZ LYS A 66 -2.256 -9.443 9.301 1.00 0.00 N ATOM 0 H LYS A 66 1.076 -9.046 7.349 1.00 0.00 H new ATOM 0 HA LYS A 66 1.916 -11.654 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.781 -10.269 6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.545 -11.975 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.453 -12.233 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.109 -10.543 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.977 -12.651 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.639 -12.070 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.621 -10.353 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.621 -10.959 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.962 -8.694 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.239 -9.710 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.318 -9.094 9.020 1.00 0.00 H new ATOM 994 N SER A 67 2.513 -10.790 4.214 1.00 0.00 N ATOM 995 CA SER A 67 2.722 -10.730 2.779 1.00 0.00 C ATOM 996 C SER A 67 2.131 -9.463 2.163 1.00 0.00 C ATOM 997 O SER A 67 1.285 -8.790 2.759 1.00 0.00 O ATOM 998 CB SER A 67 2.141 -11.973 2.107 1.00 0.00 C ATOM 999 OG SER A 67 2.687 -13.156 2.663 1.00 0.00 O ATOM 0 H SER A 67 3.373 -10.858 4.758 1.00 0.00 H new ATOM 0 HA SER A 67 3.798 -10.700 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.057 -11.980 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.347 -11.942 1.037 1.00 0.00 H new ATOM 0 HG SER A 67 2.298 -13.937 2.217 1.00 0.00 H new ATOM 1005 N ALA A 68 2.601 -9.149 0.960 1.00 0.00 N ATOM 1006 CA ALA A 68 2.156 -7.970 0.228 1.00 0.00 C ATOM 1007 C ALA A 68 0.639 -7.901 0.132 1.00 0.00 C ATOM 1008 O ALA A 68 0.066 -6.819 0.008 1.00 0.00 O ATOM 1009 CB ALA A 68 2.779 -7.967 -1.160 1.00 0.00 C ATOM 0 H ALA A 68 3.300 -9.704 0.466 1.00 0.00 H new ATOM 0 HA ALA A 68 2.483 -7.087 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.446 -7.085 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.865 -7.950 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.473 -8.864 -1.698 1.00 0.00 H new ATOM 1015 N GLU A 69 -0.010 -9.056 0.183 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.460 -9.108 0.094 1.00 0.00 C ATOM 1017 C GLU A 69 -2.123 -8.306 1.214 1.00 0.00 C ATOM 1018 O GLU A 69 -3.004 -7.479 0.949 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.946 -10.556 0.128 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.550 -11.292 1.385 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.907 -12.765 1.339 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.406 -13.470 0.438 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.687 -13.214 2.205 1.00 0.00 O ATOM 0 H GLU A 69 0.443 -9.964 0.285 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.746 -8.657 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.032 -10.569 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.546 -11.086 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.476 -11.188 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.041 -10.830 2.241 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.718 -8.539 2.468 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.328 -7.810 3.568 1.00 0.00 C ATOM 1032 C GLU A 70 -1.867 -6.362 3.583 1.00 0.00 C ATOM 1033 O GLU A 70 -2.613 -5.474 3.975 1.00 0.00 O ATOM 1034 CB GLU A 70 -2.079 -8.486 4.920 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.761 -8.122 5.572 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.918 -7.830 7.054 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.660 -6.889 7.401 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.295 -8.545 7.868 1.00 0.00 O ATOM 0 H GLU A 70 -0.994 -9.206 2.734 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.405 -7.822 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.890 -8.222 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.116 -9.567 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.052 -8.939 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.339 -7.249 5.074 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.637 -6.128 3.155 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.096 -4.777 3.120 1.00 0.00 C ATOM 1047 C VAL A 71 -0.905 -3.893 2.180 1.00 0.00 C ATOM 1048 O VAL A 71 -1.180 -2.735 2.488 1.00 0.00 O ATOM 1049 CB VAL A 71 1.377 -4.790 2.697 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.952 -3.379 2.669 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.162 -5.682 3.641 1.00 0.00 C ATOM 0 H VAL A 71 0.004 -6.851 2.828 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.164 -4.365 4.127 1.00 0.00 H new ATOM 0 HB VAL A 71 1.454 -5.189 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.998 -3.418 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.391 -2.771 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.879 -2.936 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.210 -5.694 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.078 -5.299 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.762 -6.695 3.601 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.293 -4.448 1.038 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.080 -3.704 0.063 1.00 0.00 C ATOM 1063 C ALA A 72 -3.453 -3.350 0.625 1.00 0.00 C ATOM 1064 O ALA A 72 -3.866 -2.188 0.599 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.230 -4.510 -1.219 1.00 0.00 C ATOM 0 H ALA A 72 -1.076 -5.407 0.765 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.553 -2.776 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.820 -3.942 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.245 -4.714 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.733 -5.452 -1.000 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.159 -4.357 1.132 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.488 -4.142 1.696 1.00 0.00 C ATOM 1073 C ASP A 73 -5.425 -3.249 2.934 1.00 0.00 C ATOM 1074 O ASP A 73 -6.303 -2.417 3.161 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.141 -5.481 2.045 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.325 -6.373 0.833 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.943 -5.949 -0.278 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.850 -7.495 0.994 1.00 0.00 O ATOM 0 H ASP A 73 -3.836 -5.324 1.164 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.094 -3.637 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.528 -5.999 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.111 -5.298 2.508 1.00 0.00 H new ATOM 1083 N THR A 74 -4.381 -3.426 3.732 1.00 0.00 N ATOM 1084 CA THR A 74 -4.195 -2.636 4.942 1.00 0.00 C ATOM 1085 C THR A 74 -4.143 -1.150 4.605 1.00 0.00 C ATOM 1086 O THR A 74 -4.728 -0.321 5.302 1.00 0.00 O ATOM 1087 CB THR A 74 -2.898 -3.045 5.675 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.001 -4.398 6.130 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.617 -2.131 6.861 1.00 0.00 C ATOM 0 H THR A 74 -3.646 -4.113 3.562 1.00 0.00 H new ATOM 0 HA THR A 74 -5.044 -2.827 5.599 1.00 0.00 H new ATOM 0 HB THR A 74 -2.073 -2.953 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.110 -4.995 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.698 -2.447 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.507 -1.105 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.445 -2.187 7.568 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.441 -0.828 3.526 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.307 0.551 3.079 1.00 0.00 C ATOM 1099 C ILE A 75 -4.665 1.145 2.711 1.00 0.00 C ATOM 1100 O ILE A 75 -5.042 2.204 3.210 1.00 0.00 O ATOM 1101 CB ILE A 75 -2.346 0.640 1.873 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.913 0.352 2.324 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -2.432 2.001 1.195 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.092 0.357 1.194 1.00 0.00 C ATOM 0 H ILE A 75 -2.954 -1.508 2.942 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.892 1.129 3.905 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.645 -0.111 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.618 1.096 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.885 -0.619 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.744 2.031 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.449 2.167 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.165 2.780 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.085 0.146 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.178 -0.406 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.094 1.335 0.713 1.00 0.00 H new ATOM 1116 N VAL A 76 -5.394 0.467 1.833 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.707 0.946 1.403 1.00 0.00 C ATOM 1118 C VAL A 76 -7.662 1.151 2.577 1.00 0.00 C ATOM 1119 O VAL A 76 -8.379 2.150 2.628 1.00 0.00 O ATOM 1120 CB VAL A 76 -7.363 0.006 0.366 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -6.784 0.261 -1.012 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -7.181 -1.456 0.745 1.00 0.00 C ATOM 0 H VAL A 76 -5.103 -0.412 1.405 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.524 1.911 0.931 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.432 0.219 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.254 -0.407 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.971 1.295 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.710 0.078 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.655 -2.088 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.117 -1.689 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.640 -1.640 1.716 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.682 0.209 3.512 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.570 0.309 4.668 1.00 0.00 C ATOM 1134 C ASN A 77 -8.249 1.530 5.533 1.00 0.00 C ATOM 1135 O ASN A 77 -9.131 2.333 5.834 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.491 -0.962 5.518 1.00 0.00 C ATOM 1137 CG ASN A 77 -9.009 -2.183 4.785 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -10.149 -2.206 4.320 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.177 -3.213 4.689 1.00 0.00 N ATOM 0 H ASN A 77 -7.099 -0.628 3.495 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.583 0.426 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.456 -1.133 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.066 -0.820 6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.474 -4.066 4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.241 -3.151 5.089 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.992 1.654 5.946 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.567 2.764 6.792 1.00 0.00 C ATOM 1148 C LYS A 78 -6.471 4.076 6.016 1.00 0.00 C ATOM 1149 O LYS A 78 -6.866 5.131 6.514 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.216 2.441 7.428 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.244 1.204 8.312 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.872 0.897 8.888 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.913 -0.312 9.809 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.835 -0.104 10.959 1.00 0.00 N ATOM 0 H LYS A 78 -6.248 0.998 5.708 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.323 2.895 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.477 2.298 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.889 3.295 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.955 1.353 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.595 0.350 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.168 0.714 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.505 1.763 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.230 -1.188 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.910 -0.519 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.673 -0.844 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.657 0.829 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.820 -0.152 10.628 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.922 4.011 4.810 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.747 5.204 3.985 1.00 0.00 C ATOM 1170 C ALA A 79 -7.077 5.791 3.517 1.00 0.00 C ATOM 1171 O ALA A 79 -7.185 7.002 3.317 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.868 4.886 2.786 1.00 0.00 C ATOM 0 H ALA A 79 -5.590 3.148 4.380 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.263 5.957 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.744 5.782 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.892 4.544 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.337 4.104 2.189 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.088 4.945 3.340 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.379 5.441 2.895 1.00 0.00 C ATOM 1180 C GLY A 80 -10.197 4.399 2.167 1.00 0.00 C ATOM 1181 O GLY A 80 -11.340 4.119 2.529 1.00 0.00 O ATOM 0 H GLY A 80 -8.039 3.938 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.941 5.798 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.226 6.297 2.238 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.605 3.844 1.124 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.256 2.841 0.300 1.00 0.00 C ATOM 1187 C LEU A 81 -10.578 1.584 1.103 1.00 0.00 C ATOM 1188 O LEU A 81 -10.791 1.703 2.328 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.341 2.505 -0.873 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.851 3.722 -1.660 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.696 3.335 -2.577 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.991 4.325 -2.466 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.620 0.491 0.499 1.00 0.00 O ATOM 0 H LEU A 81 -8.658 4.076 0.824 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.202 3.240 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.476 1.957 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.871 1.837 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.493 4.470 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.360 4.213 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.872 2.945 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.029 2.570 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.627 5.190 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.376 3.582 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.789 4.636 -1.791 1.00 0.00 H new