USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 52 SER OG : rot -157:sc= 0.137 USER MOD Set 1.2: A 73 THR OG1 : rot -170:sc= 0.133 USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.57) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.09 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 151:sc= -0.813 (180deg=-2.44!) USER MOD Single : A 30 SER OG : rot 66:sc= 0.13 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0485 K(o=-0.049,f=-1.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -14:sc= 1.14 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -4.92! C(o=-4.9!,f=-5.7!) USER MOD Single : A 92 SER OG : rot 29:sc= 0.389 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.147) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.698 16.994 -3.845 1.00 0.00 N ATOM 86 CA GLY A 9 12.378 17.196 -4.413 1.00 0.00 C ATOM 87 C GLY A 9 11.280 17.124 -3.370 1.00 0.00 C ATOM 88 O GLY A 9 11.556 16.993 -2.178 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.343 18.167 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.197 16.443 -5.179 1.00 0.00 H new ATOM 92 N ASP A 10 10.033 17.213 -3.819 1.00 0.00 N ATOM 93 CA ASP A 10 8.890 17.157 -2.916 1.00 0.00 C ATOM 94 C ASP A 10 7.976 15.987 -3.267 1.00 0.00 C ATOM 95 O ASP A 10 7.340 15.978 -4.320 1.00 0.00 O ATOM 96 CB ASP A 10 8.104 18.469 -2.972 1.00 0.00 C ATOM 97 CG ASP A 10 8.891 19.639 -2.417 1.00 0.00 C ATOM 98 OD1 ASP A 10 8.972 19.765 -1.178 1.00 0.00 O ATOM 99 OD2 ASP A 10 9.427 20.430 -3.223 1.00 0.00 O ATOM 0 H ASP A 10 9.788 17.324 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 10 9.266 17.010 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.826 18.679 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.177 18.358 -2.409 1.00 0.00 H new ATOM 104 N ALA A 11 7.917 15.002 -2.377 1.00 0.00 N ATOM 105 CA ALA A 11 7.080 13.828 -2.592 1.00 0.00 C ATOM 106 C ALA A 11 5.709 14.221 -3.130 1.00 0.00 C ATOM 107 O ALA A 11 5.133 13.519 -3.961 1.00 0.00 O ATOM 108 CB ALA A 11 6.936 13.038 -1.300 1.00 0.00 C ATOM 0 H ALA A 11 8.439 14.994 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 11 7.566 13.198 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.308 12.164 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.920 12.715 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.476 13.667 -0.538 1.00 0.00 H new ATOM 114 N ARG A 12 5.191 15.347 -2.650 1.00 0.00 N ATOM 115 CA ARG A 12 3.886 15.833 -3.082 1.00 0.00 C ATOM 116 C ARG A 12 3.800 15.880 -4.604 1.00 0.00 C ATOM 117 O ARG A 12 2.774 15.531 -5.189 1.00 0.00 O ATOM 118 CB ARG A 12 3.618 17.223 -2.501 1.00 0.00 C ATOM 119 CG ARG A 12 3.581 17.252 -0.982 1.00 0.00 C ATOM 120 CD ARG A 12 2.196 16.915 -0.452 1.00 0.00 C ATOM 121 NE ARG A 12 1.175 17.817 -0.978 1.00 0.00 N ATOM 122 CZ ARG A 12 -0.125 17.546 -0.959 1.00 0.00 C ATOM 123 NH1 ARG A 12 -0.560 16.405 -0.442 1.00 0.00 N ATOM 124 NH2 ARG A 12 -0.994 18.417 -1.457 1.00 0.00 N ATOM 0 H ARG A 12 5.655 15.940 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 12 3.128 15.141 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.390 17.908 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.667 17.591 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.306 16.541 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.877 18.240 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.945 15.888 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.201 16.969 0.637 1.00 0.00 H new ATOM 0 HE ARG A 12 1.477 18.704 -1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.104 15.733 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.559 16.199 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.664 19.296 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.992 18.207 -1.442 1.00 0.00 H new ATOM 138 N ARG A 13 4.883 16.315 -5.240 1.00 0.00 N ATOM 139 CA ARG A 13 4.929 16.410 -6.694 1.00 0.00 C ATOM 140 C ARG A 13 5.048 15.026 -7.326 1.00 0.00 C ATOM 141 O ARG A 13 4.500 14.774 -8.399 1.00 0.00 O ATOM 142 CB ARG A 13 6.105 17.285 -7.132 1.00 0.00 C ATOM 143 CG ARG A 13 6.064 18.692 -6.559 1.00 0.00 C ATOM 144 CD ARG A 13 4.944 19.514 -7.178 1.00 0.00 C ATOM 145 NE ARG A 13 3.689 19.368 -6.446 1.00 0.00 N ATOM 146 CZ ARG A 13 2.505 19.711 -6.941 1.00 0.00 C ATOM 147 NH1 ARG A 13 2.415 20.216 -8.164 1.00 0.00 N ATOM 148 NH2 ARG A 13 1.408 19.547 -6.214 1.00 0.00 N ATOM 0 H ARG A 13 5.740 16.607 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 13 3.999 16.866 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.036 16.806 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.117 17.345 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.926 18.642 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.020 19.186 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.233 20.565 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.798 19.206 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 13 3.723 18.981 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.256 20.342 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.505 20.479 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.473 19.157 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.499 19.811 -6.595 1.00 0.00 H new ATOM 162 N ALA A 14 5.767 14.134 -6.653 1.00 0.00 N ATOM 163 CA ALA A 14 5.956 12.776 -7.147 1.00 0.00 C ATOM 164 C ALA A 14 4.617 12.088 -7.387 1.00 0.00 C ATOM 165 O ALA A 14 3.740 12.094 -6.523 1.00 0.00 O ATOM 166 CB ALA A 14 6.798 11.971 -6.168 1.00 0.00 C ATOM 0 H ALA A 14 6.228 14.328 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 14 6.481 12.832 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.931 10.959 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.772 12.446 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.295 11.931 -5.202 1.00 0.00 H new ATOM 172 N LYS A 15 4.465 11.495 -8.567 1.00 0.00 N ATOM 173 CA LYS A 15 3.233 10.801 -8.922 1.00 0.00 C ATOM 174 C LYS A 15 3.501 9.327 -9.210 1.00 0.00 C ATOM 175 O LYS A 15 4.585 8.961 -9.666 1.00 0.00 O ATOM 176 CB LYS A 15 2.586 11.460 -10.142 1.00 0.00 C ATOM 177 CG LYS A 15 1.689 12.636 -9.795 1.00 0.00 C ATOM 178 CD LYS A 15 1.445 13.526 -11.002 1.00 0.00 C ATOM 179 CE LYS A 15 0.274 13.027 -11.834 1.00 0.00 C ATOM 180 NZ LYS A 15 0.688 11.969 -12.796 1.00 0.00 N ATOM 0 H LYS A 15 5.181 11.481 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 15 2.551 10.869 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.370 11.799 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.001 10.714 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.736 12.268 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.147 13.221 -8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.249 14.545 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.343 13.559 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.500 12.635 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.166 13.862 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.047 11.974 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.660 12.152 -13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.646 11.040 -12.330 1.00 0.00 H new ATOM 194 N VAL A 16 2.508 8.486 -8.941 1.00 0.00 N ATOM 195 CA VAL A 16 2.637 7.052 -9.174 1.00 0.00 C ATOM 196 C VAL A 16 1.406 6.498 -9.883 1.00 0.00 C ATOM 197 O VAL A 16 0.286 6.610 -9.384 1.00 0.00 O ATOM 198 CB VAL A 16 2.844 6.286 -7.854 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.165 6.679 -7.210 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.683 6.538 -6.904 1.00 0.00 C ATOM 0 H VAL A 16 1.605 8.772 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 16 3.512 6.911 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 16 2.878 5.219 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.294 6.128 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.985 6.442 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.164 7.749 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.846 5.989 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.615 7.604 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.755 6.202 -7.366 1.00 0.00 H new ATOM 210 N TYR A 17 1.622 5.899 -11.048 1.00 0.00 N ATOM 211 CA TYR A 17 0.530 5.328 -11.828 1.00 0.00 C ATOM 212 C TYR A 17 0.917 3.965 -12.392 1.00 0.00 C ATOM 213 O TYR A 17 2.051 3.758 -12.824 1.00 0.00 O ATOM 214 CB TYR A 17 0.141 6.272 -12.967 1.00 0.00 C ATOM 215 CG TYR A 17 1.320 6.972 -13.603 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.106 6.329 -14.552 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.649 8.276 -13.255 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.185 6.965 -15.135 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.726 8.920 -13.834 1.00 0.00 C ATOM 220 CZ TYR A 17 3.491 8.260 -14.773 1.00 0.00 C ATOM 221 OH TYR A 17 4.564 8.897 -15.352 1.00 0.00 O ATOM 0 H TYR A 17 2.543 5.796 -11.474 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.325 5.197 -11.165 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.390 5.705 -13.732 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.553 7.021 -12.586 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.869 5.315 -14.839 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.053 8.795 -12.519 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.786 6.451 -15.870 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.967 9.934 -13.553 1.00 0.00 H new ATOM 0 HH TYR A 17 4.390 9.861 -15.391 1.00 0.00 H new ATOM 231 N GLY A 18 -0.034 3.036 -12.384 1.00 0.00 N ATOM 232 CA GLY A 18 0.226 1.704 -12.898 1.00 0.00 C ATOM 233 C GLY A 18 -0.910 0.741 -12.613 1.00 0.00 C ATOM 234 O GLY A 18 -2.080 1.120 -12.660 1.00 0.00 O ATOM 0 H GLY A 18 -0.980 3.182 -12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.391 1.759 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.144 1.319 -12.454 1.00 0.00 H new ATOM 238 N ARG A 19 -0.565 -0.508 -12.319 1.00 0.00 N ATOM 239 CA ARG A 19 -1.565 -1.529 -12.030 1.00 0.00 C ATOM 240 C ARG A 19 -1.339 -2.135 -10.648 1.00 0.00 C ATOM 241 O ARG A 19 -2.283 -2.555 -9.981 1.00 0.00 O ATOM 242 CB ARG A 19 -1.527 -2.628 -13.093 1.00 0.00 C ATOM 243 CG ARG A 19 -2.825 -3.410 -13.208 1.00 0.00 C ATOM 244 CD ARG A 19 -3.814 -2.715 -14.130 1.00 0.00 C ATOM 245 NE ARG A 19 -3.597 -3.067 -15.531 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.520 -2.926 -16.476 1.00 0.00 C ATOM 247 NH1 ARG A 19 -5.716 -2.441 -16.171 1.00 0.00 N ATOM 248 NH2 ARG A 19 -4.248 -3.269 -17.728 1.00 0.00 N ATOM 0 H ARG A 19 0.399 -0.837 -12.275 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.546 -1.054 -12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.296 -2.179 -14.059 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.716 -3.318 -12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.616 -4.411 -13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.269 -3.528 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.830 -2.985 -13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.725 -1.635 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.687 -3.442 -15.798 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.929 -2.175 -15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.423 -2.333 -16.898 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.329 -3.642 -17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.958 -3.160 -18.452 1.00 0.00 H new ATOM 262 N GLY A 20 -0.079 -2.177 -10.225 1.00 0.00 N ATOM 263 CA GLY A 20 0.249 -2.734 -8.925 1.00 0.00 C ATOM 264 C GLY A 20 0.027 -1.745 -7.798 1.00 0.00 C ATOM 265 O GLY A 20 0.601 -1.885 -6.717 1.00 0.00 O ATOM 0 H GLY A 20 0.720 -1.835 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.358 -3.622 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.291 -3.055 -8.923 1.00 0.00 H new ATOM 269 N LEU A 21 -0.808 -0.743 -8.049 1.00 0.00 N ATOM 270 CA LEU A 21 -1.104 0.275 -7.046 1.00 0.00 C ATOM 271 C LEU A 21 -2.568 0.212 -6.622 1.00 0.00 C ATOM 272 O LEU A 21 -2.898 0.447 -5.460 1.00 0.00 O ATOM 273 CB LEU A 21 -0.779 1.666 -7.592 1.00 0.00 C ATOM 274 CG LEU A 21 0.673 1.901 -8.012 1.00 0.00 C ATOM 275 CD1 LEU A 21 0.809 3.225 -8.746 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.591 1.865 -6.799 1.00 0.00 C ATOM 0 H LEU A 21 -1.292 -0.613 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.483 0.080 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.420 1.855 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.040 2.403 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 21 0.969 1.101 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.849 3.375 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.181 3.213 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.495 4.038 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.620 2.034 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.296 2.644 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.516 0.891 -6.315 1.00 0.00 H new ATOM 288 N SER A 22 -3.440 -0.109 -7.572 1.00 0.00 N ATOM 289 CA SER A 22 -4.870 -0.202 -7.297 1.00 0.00 C ATOM 290 C SER A 22 -5.269 -1.640 -6.978 1.00 0.00 C ATOM 291 O SER A 22 -5.613 -1.961 -5.841 1.00 0.00 O ATOM 292 CB SER A 22 -5.675 0.309 -8.493 1.00 0.00 C ATOM 293 OG SER A 22 -5.717 1.726 -8.511 1.00 0.00 O ATOM 0 H SER A 22 -3.182 -0.309 -8.538 1.00 0.00 H new ATOM 0 HA SER A 22 -5.089 0.419 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.230 -0.057 -9.418 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.689 -0.088 -8.449 1.00 0.00 H new ATOM 0 HG SER A 22 -6.236 2.028 -9.286 1.00 0.00 H new ATOM 299 N GLU A 23 -5.221 -2.499 -7.991 1.00 0.00 N ATOM 300 CA GLU A 23 -5.578 -3.903 -7.819 1.00 0.00 C ATOM 301 C GLU A 23 -4.387 -4.808 -8.118 1.00 0.00 C ATOM 302 O GLU A 23 -3.299 -4.335 -8.441 1.00 0.00 O ATOM 303 CB GLU A 23 -6.753 -4.268 -8.729 1.00 0.00 C ATOM 304 CG GLU A 23 -6.483 -4.012 -10.202 1.00 0.00 C ATOM 305 CD GLU A 23 -7.351 -4.862 -11.110 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.664 -6.009 -10.727 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.718 -4.380 -12.203 1.00 0.00 O ATOM 0 H GLU A 23 -4.939 -2.248 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.873 -4.052 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.996 -5.322 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.629 -3.696 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.656 -2.959 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.433 -4.214 -10.416 1.00 0.00 H new ATOM 314 N GLY A 24 -4.603 -6.116 -8.008 1.00 0.00 N ATOM 315 CA GLY A 24 -3.540 -7.068 -8.270 1.00 0.00 C ATOM 316 C GLY A 24 -3.989 -8.504 -8.089 1.00 0.00 C ATOM 317 O GLY A 24 -5.134 -8.760 -7.714 1.00 0.00 O ATOM 0 H GLY A 24 -5.495 -6.533 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.176 -6.930 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.703 -6.866 -7.602 1.00 0.00 H new ATOM 321 N ARG A 25 -3.088 -9.443 -8.357 1.00 0.00 N ATOM 322 CA ARG A 25 -3.399 -10.861 -8.224 1.00 0.00 C ATOM 323 C ARG A 25 -2.165 -11.651 -7.799 1.00 0.00 C ATOM 324 O ARG A 25 -1.066 -11.104 -7.702 1.00 0.00 O ATOM 325 CB ARG A 25 -3.941 -11.412 -9.544 1.00 0.00 C ATOM 326 CG ARG A 25 -5.454 -11.325 -9.666 1.00 0.00 C ATOM 327 CD ARG A 25 -5.962 -12.100 -10.871 1.00 0.00 C ATOM 328 NE ARG A 25 -6.063 -13.531 -10.599 1.00 0.00 N ATOM 329 CZ ARG A 25 -6.955 -14.059 -9.767 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.817 -13.278 -9.132 1.00 0.00 N ATOM 331 NH2 ARG A 25 -6.985 -15.371 -9.571 1.00 0.00 N ATOM 0 H ARG A 25 -2.136 -9.247 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.162 -10.969 -7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.486 -10.865 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.636 -12.454 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.916 -11.716 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.754 -10.280 -9.751 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.940 -11.717 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.292 -11.938 -11.715 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.414 -14.159 -11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.797 -12.269 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.501 -13.686 -8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.323 -15.975 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.670 -15.776 -8.932 1.00 0.00 H new ATOM 345 N THR A 26 -2.353 -12.943 -7.547 1.00 0.00 N ATOM 346 CA THR A 26 -1.257 -13.808 -7.131 1.00 0.00 C ATOM 347 C THR A 26 -0.456 -14.297 -8.333 1.00 0.00 C ATOM 348 O THR A 26 -0.938 -14.270 -9.465 1.00 0.00 O ATOM 349 CB THR A 26 -1.771 -15.027 -6.342 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.729 -15.749 -7.125 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.405 -14.593 -5.029 1.00 0.00 C ATOM 0 H THR A 26 -3.255 -13.413 -7.624 1.00 0.00 H new ATOM 0 HA THR A 26 -0.612 -13.212 -6.485 1.00 0.00 H new ATOM 0 HB THR A 26 -0.922 -15.674 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.050 -16.523 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.761 -15.471 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.665 -14.069 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.244 -13.928 -5.233 1.00 0.00 H new ATOM 359 N PHE A 27 0.770 -14.743 -8.079 1.00 0.00 N ATOM 360 CA PHE A 27 1.638 -15.238 -9.140 1.00 0.00 C ATOM 361 C PHE A 27 1.514 -14.373 -10.392 1.00 0.00 C ATOM 362 O PHE A 27 1.680 -14.857 -11.511 1.00 0.00 O ATOM 363 CB PHE A 27 1.294 -16.691 -9.475 1.00 0.00 C ATOM 364 CG PHE A 27 1.353 -17.609 -8.287 1.00 0.00 C ATOM 365 CD1 PHE A 27 2.516 -17.729 -7.544 1.00 0.00 C ATOM 366 CD2 PHE A 27 0.244 -18.351 -7.914 1.00 0.00 C ATOM 367 CE1 PHE A 27 2.572 -18.574 -6.452 1.00 0.00 C ATOM 368 CE2 PHE A 27 0.294 -19.198 -6.822 1.00 0.00 C ATOM 369 CZ PHE A 27 1.460 -19.308 -6.090 1.00 0.00 C ATOM 0 H PHE A 27 1.184 -14.772 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 27 2.667 -15.189 -8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.293 -16.729 -9.905 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.983 -17.053 -10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.388 -17.156 -7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.670 -18.267 -8.483 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.485 -18.660 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.577 -19.772 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.502 -19.967 -5.236 1.00 0.00 H new ATOM 379 N GLU A 28 1.221 -13.092 -10.192 1.00 0.00 N ATOM 380 CA GLU A 28 1.073 -12.161 -11.304 1.00 0.00 C ATOM 381 C GLU A 28 2.004 -10.963 -11.138 1.00 0.00 C ATOM 382 O GLU A 28 1.861 -10.178 -10.201 1.00 0.00 O ATOM 383 CB GLU A 28 -0.377 -11.683 -11.409 1.00 0.00 C ATOM 384 CG GLU A 28 -0.572 -10.539 -12.390 1.00 0.00 C ATOM 385 CD GLU A 28 -0.778 -11.020 -13.813 1.00 0.00 C ATOM 386 OE1 GLU A 28 0.230 -11.252 -14.512 1.00 0.00 O ATOM 387 OE2 GLU A 28 -1.947 -11.164 -14.227 1.00 0.00 O ATOM 0 H GLU A 28 1.082 -12.676 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 28 1.343 -12.685 -12.221 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.006 -12.521 -11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.719 -11.367 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.433 -9.945 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.297 -9.883 -12.355 1.00 0.00 H new ATOM 394 N MET A 29 2.957 -10.830 -12.054 1.00 0.00 N ATOM 395 CA MET A 29 3.911 -9.728 -12.010 1.00 0.00 C ATOM 396 C MET A 29 3.200 -8.388 -12.166 1.00 0.00 C ATOM 397 O MET A 29 2.745 -8.039 -13.255 1.00 0.00 O ATOM 398 CB MET A 29 4.963 -9.892 -13.109 1.00 0.00 C ATOM 399 CG MET A 29 6.316 -9.299 -12.748 1.00 0.00 C ATOM 400 SD MET A 29 7.388 -10.478 -11.904 1.00 0.00 S ATOM 401 CE MET A 29 8.094 -9.440 -10.627 1.00 0.00 C ATOM 0 H MET A 29 3.089 -11.472 -12.836 1.00 0.00 H new ATOM 0 HA MET A 29 4.405 -9.746 -11.039 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.087 -10.953 -13.327 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.600 -9.419 -14.022 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.809 -8.950 -13.655 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.168 -8.427 -12.110 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.339 -10.049 -9.757 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.000 -8.965 -11.004 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.374 -8.673 -10.342 1.00 0.00 H new ATOM 411 N SER A 30 3.110 -7.640 -11.071 1.00 0.00 N ATOM 412 CA SER A 30 2.451 -6.339 -11.085 1.00 0.00 C ATOM 413 C SER A 30 3.453 -5.220 -10.820 1.00 0.00 C ATOM 414 O SER A 30 4.008 -5.115 -9.726 1.00 0.00 O ATOM 415 CB SER A 30 1.334 -6.298 -10.040 1.00 0.00 C ATOM 416 OG SER A 30 0.417 -7.361 -10.231 1.00 0.00 O ATOM 0 H SER A 30 3.485 -7.913 -10.163 1.00 0.00 H new ATOM 0 HA SER A 30 2.018 -6.189 -12.074 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.764 -6.360 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.809 -5.345 -10.102 1.00 0.00 H new ATOM 0 HG SER A 30 0.866 -8.215 -10.060 1.00 0.00 H new ATOM 422 N ASP A 31 3.679 -4.385 -11.829 1.00 0.00 N ATOM 423 CA ASP A 31 4.613 -3.272 -11.706 1.00 0.00 C ATOM 424 C ASP A 31 3.898 -1.939 -11.901 1.00 0.00 C ATOM 425 O ASP A 31 2.769 -1.893 -12.391 1.00 0.00 O ATOM 426 CB ASP A 31 5.744 -3.413 -12.726 1.00 0.00 C ATOM 427 CG ASP A 31 5.291 -4.097 -14.001 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.287 -3.647 -14.592 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.942 -5.081 -14.409 1.00 0.00 O ATOM 0 H ASP A 31 3.228 -4.458 -12.741 1.00 0.00 H new ATOM 0 HA ASP A 31 5.036 -3.293 -10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.137 -2.425 -12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.561 -3.982 -12.282 1.00 0.00 H new ATOM 434 N PHE A 32 4.562 -0.855 -11.512 1.00 0.00 N ATOM 435 CA PHE A 32 3.989 0.480 -11.642 1.00 0.00 C ATOM 436 C PHE A 32 5.077 1.515 -11.912 1.00 0.00 C ATOM 437 O PHE A 32 6.245 1.301 -11.587 1.00 0.00 O ATOM 438 CB PHE A 32 3.218 0.852 -10.374 1.00 0.00 C ATOM 439 CG PHE A 32 4.060 0.829 -9.132 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.910 1.883 -8.835 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.003 -0.245 -8.259 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.687 1.864 -7.693 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.778 -0.270 -7.115 1.00 0.00 C ATOM 444 CZ PHE A 32 5.620 0.787 -6.831 1.00 0.00 C ATOM 0 H PHE A 32 5.497 -0.875 -11.104 1.00 0.00 H new ATOM 0 HA PHE A 32 3.302 0.473 -12.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.792 1.848 -10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.383 0.162 -10.250 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.965 2.729 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.345 -1.073 -8.475 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.346 2.691 -7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.725 -1.115 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.225 0.772 -5.936 1.00 0.00 H new ATOM 454 N ILE A 33 4.685 2.635 -12.508 1.00 0.00 N ATOM 455 CA ILE A 33 5.626 3.703 -12.821 1.00 0.00 C ATOM 456 C ILE A 33 5.680 4.735 -11.699 1.00 0.00 C ATOM 457 O ILE A 33 4.679 4.996 -11.033 1.00 0.00 O ATOM 458 CB ILE A 33 5.256 4.412 -14.138 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.725 3.586 -15.337 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.863 5.806 -14.177 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.198 3.246 -15.297 1.00 0.00 C ATOM 0 H ILE A 33 3.722 2.827 -12.784 1.00 0.00 H new ATOM 0 HA ILE A 33 6.606 3.238 -12.931 1.00 0.00 H new ATOM 0 HB ILE A 33 4.171 4.508 -14.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.148 2.662 -15.379 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.512 4.137 -16.253 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.593 6.294 -15.113 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.484 6.392 -13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.948 5.732 -14.106 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.460 2.660 -16.178 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.783 4.165 -15.286 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.414 2.668 -14.399 1.00 0.00 H new ATOM 473 N VAL A 34 6.856 5.319 -11.497 1.00 0.00 N ATOM 474 CA VAL A 34 7.041 6.325 -10.457 1.00 0.00 C ATOM 475 C VAL A 34 7.542 7.639 -11.047 1.00 0.00 C ATOM 476 O VAL A 34 8.736 7.806 -11.293 1.00 0.00 O ATOM 477 CB VAL A 34 8.035 5.845 -9.383 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.447 7.000 -8.483 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.432 4.712 -8.567 1.00 0.00 C ATOM 0 H VAL A 34 7.695 5.113 -12.039 1.00 0.00 H new ATOM 0 HA VAL A 34 6.067 6.486 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 34 8.928 5.468 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.149 6.642 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.922 7.777 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.565 7.410 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.148 4.385 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.523 5.060 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.192 3.877 -9.225 1.00 0.00 H new ATOM 489 N ASP A 35 6.620 8.569 -11.270 1.00 0.00 N ATOM 490 CA ASP A 35 6.968 9.871 -11.830 1.00 0.00 C ATOM 491 C ASP A 35 7.584 10.773 -10.765 1.00 0.00 C ATOM 492 O ASP A 35 6.873 11.417 -9.993 1.00 0.00 O ATOM 493 CB ASP A 35 5.729 10.540 -12.428 1.00 0.00 C ATOM 494 CG ASP A 35 6.016 11.938 -12.938 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.186 12.369 -12.862 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.071 12.601 -13.415 1.00 0.00 O ATOM 0 H ASP A 35 5.627 8.446 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 35 7.704 9.715 -12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.349 9.929 -13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.944 10.586 -11.673 1.00 0.00 H new ATOM 501 N THR A 36 8.913 10.814 -10.728 1.00 0.00 N ATOM 502 CA THR A 36 9.625 11.635 -9.757 1.00 0.00 C ATOM 503 C THR A 36 10.553 12.626 -10.451 1.00 0.00 C ATOM 504 O THR A 36 11.390 13.261 -9.809 1.00 0.00 O ATOM 505 CB THR A 36 10.451 10.768 -8.787 1.00 0.00 C ATOM 506 OG1 THR A 36 11.134 9.739 -9.511 1.00 0.00 O ATOM 507 CG2 THR A 36 9.558 10.142 -7.727 1.00 0.00 C ATOM 0 H THR A 36 9.517 10.288 -11.359 1.00 0.00 H new ATOM 0 HA THR A 36 8.871 12.182 -9.191 1.00 0.00 H new ATOM 0 HB THR A 36 11.181 11.409 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.658 9.193 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.163 9.535 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.062 10.929 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.808 9.513 -8.208 1.00 0.00 H new ATOM 515 N ARG A 37 10.398 12.754 -11.764 1.00 0.00 N ATOM 516 CA ARG A 37 11.223 13.669 -12.545 1.00 0.00 C ATOM 517 C ARG A 37 10.781 15.114 -12.334 1.00 0.00 C ATOM 518 O ARG A 37 11.608 16.024 -12.271 1.00 0.00 O ATOM 519 CB ARG A 37 11.150 13.313 -14.031 1.00 0.00 C ATOM 520 CG ARG A 37 9.734 13.287 -14.582 1.00 0.00 C ATOM 521 CD ARG A 37 9.717 12.919 -16.057 1.00 0.00 C ATOM 522 NE ARG A 37 8.419 12.397 -16.476 1.00 0.00 N ATOM 523 CZ ARG A 37 8.160 11.975 -17.709 1.00 0.00 C ATOM 524 NH1 ARG A 37 9.105 12.013 -18.639 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.954 11.513 -18.014 1.00 0.00 N ATOM 0 H ARG A 37 9.709 12.236 -12.310 1.00 0.00 H new ATOM 0 HA ARG A 37 12.254 13.570 -12.205 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.738 14.034 -14.598 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.609 12.336 -14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.137 12.569 -14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.271 14.264 -14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.964 13.798 -16.653 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.488 12.174 -16.254 1.00 0.00 H new ATOM 0 HE ARG A 37 7.670 12.354 -15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.033 12.367 -18.408 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.903 11.688 -19.585 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.225 11.482 -17.302 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.756 11.189 -18.961 1.00 0.00 H new ATOM 539 N ASP A 38 9.473 15.317 -12.227 1.00 0.00 N ATOM 540 CA ASP A 38 8.921 16.651 -12.023 1.00 0.00 C ATOM 541 C ASP A 38 9.127 17.111 -10.583 1.00 0.00 C ATOM 542 O ASP A 38 9.283 18.302 -10.318 1.00 0.00 O ATOM 543 CB ASP A 38 7.431 16.668 -12.368 1.00 0.00 C ATOM 544 CG ASP A 38 6.666 15.549 -11.687 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.564 15.573 -10.443 1.00 0.00 O ATOM 546 OD2 ASP A 38 6.172 14.650 -12.399 1.00 0.00 O ATOM 0 H ASP A 38 8.775 14.575 -12.278 1.00 0.00 H new ATOM 0 HA ASP A 38 9.447 17.339 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.004 17.627 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.310 16.582 -13.448 1.00 0.00 H new ATOM 551 N ALA A 39 9.126 16.158 -9.657 1.00 0.00 N ATOM 552 CA ALA A 39 9.314 16.464 -8.245 1.00 0.00 C ATOM 553 C ALA A 39 10.732 16.957 -7.974 1.00 0.00 C ATOM 554 O ALA A 39 10.930 17.980 -7.320 1.00 0.00 O ATOM 555 CB ALA A 39 9.006 15.241 -7.393 1.00 0.00 C ATOM 0 H ALA A 39 8.997 15.167 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 39 8.622 17.263 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.151 15.485 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.973 14.935 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.674 14.426 -7.672 1.00 0.00 H new ATOM 561 N GLY A 40 11.716 16.220 -8.481 1.00 0.00 N ATOM 562 CA GLY A 40 13.103 16.598 -8.282 1.00 0.00 C ATOM 563 C GLY A 40 14.007 15.398 -8.080 1.00 0.00 C ATOM 564 O GLY A 40 14.016 14.474 -8.894 1.00 0.00 O ATOM 0 H GLY A 40 11.577 15.369 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.448 17.168 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.177 17.255 -7.415 1.00 0.00 H new ATOM 568 N TYR A 41 14.772 15.412 -6.994 1.00 0.00 N ATOM 569 CA TYR A 41 15.687 14.318 -6.690 1.00 0.00 C ATOM 570 C TYR A 41 15.635 13.960 -5.208 1.00 0.00 C ATOM 571 O TYR A 41 15.178 14.750 -4.382 1.00 0.00 O ATOM 572 CB TYR A 41 17.116 14.697 -7.084 1.00 0.00 C ATOM 573 CG TYR A 41 18.135 13.626 -6.767 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.404 12.606 -7.671 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.829 13.635 -5.563 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.334 11.625 -7.385 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.762 12.659 -5.270 1.00 0.00 C ATOM 578 CZ TYR A 41 20.011 11.656 -6.184 1.00 0.00 C ATOM 579 OH TYR A 41 20.939 10.682 -5.894 1.00 0.00 O ATOM 0 H TYR A 41 14.777 16.168 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 41 15.376 13.447 -7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.145 14.910 -8.153 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.395 15.616 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.877 12.579 -8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.636 14.418 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.530 10.838 -8.098 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.294 12.681 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 41 21.325 10.851 -5.009 1.00 0.00 H new ATOM 589 N GLY A 42 16.108 12.762 -4.878 1.00 0.00 N ATOM 590 CA GLY A 42 16.107 12.318 -3.496 1.00 0.00 C ATOM 591 C GLY A 42 16.129 10.808 -3.372 1.00 0.00 C ATOM 592 O GLY A 42 15.920 10.094 -4.352 1.00 0.00 O ATOM 0 H GLY A 42 16.492 12.091 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.974 12.734 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.222 12.708 -2.993 1.00 0.00 H new ATOM 596 N GLY A 43 16.384 10.319 -2.162 1.00 0.00 N ATOM 597 CA GLY A 43 16.430 8.886 -1.936 1.00 0.00 C ATOM 598 C GLY A 43 15.049 8.264 -1.875 1.00 0.00 C ATOM 599 O GLY A 43 14.245 8.604 -1.007 1.00 0.00 O ATOM 0 H GLY A 43 16.559 10.889 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.003 8.414 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.957 8.685 -1.003 1.00 0.00 H new ATOM 603 N ILE A 44 14.771 7.352 -2.801 1.00 0.00 N ATOM 604 CA ILE A 44 13.477 6.682 -2.849 1.00 0.00 C ATOM 605 C ILE A 44 13.507 5.373 -2.069 1.00 0.00 C ATOM 606 O ILE A 44 14.492 4.636 -2.110 1.00 0.00 O ATOM 607 CB ILE A 44 13.047 6.393 -4.299 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.708 7.698 -5.024 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.857 5.446 -4.320 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.733 7.576 -6.531 1.00 0.00 C ATOM 0 H ILE A 44 15.424 7.060 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 44 12.754 7.358 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 44 13.877 5.915 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.719 8.032 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.416 8.468 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.565 5.251 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.130 4.508 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.022 5.899 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.483 8.538 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.729 7.273 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.005 6.829 -6.848 1.00 0.00 H new ATOM 622 N SER A 45 12.419 5.088 -1.359 1.00 0.00 N ATOM 623 CA SER A 45 12.321 3.868 -0.567 1.00 0.00 C ATOM 624 C SER A 45 11.020 3.130 -0.867 1.00 0.00 C ATOM 625 O SER A 45 9.932 3.609 -0.543 1.00 0.00 O ATOM 626 CB SER A 45 12.404 4.195 0.925 1.00 0.00 C ATOM 627 OG SER A 45 12.807 3.061 1.674 1.00 0.00 O ATOM 0 H SER A 45 11.594 5.686 -1.317 1.00 0.00 H new ATOM 0 HA SER A 45 13.156 3.221 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.111 5.009 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.433 4.542 1.279 1.00 0.00 H new ATOM 0 HG SER A 45 12.854 3.296 2.624 1.00 0.00 H new ATOM 633 N LEU A 46 11.139 1.961 -1.486 1.00 0.00 N ATOM 634 CA LEU A 46 9.973 1.154 -1.830 1.00 0.00 C ATOM 635 C LEU A 46 10.041 -0.214 -1.160 1.00 0.00 C ATOM 636 O LEU A 46 10.997 -0.964 -1.354 1.00 0.00 O ATOM 637 CB LEU A 46 9.873 0.988 -3.348 1.00 0.00 C ATOM 638 CG LEU A 46 9.575 2.258 -4.144 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.191 2.175 -5.532 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.074 2.490 -4.238 1.00 0.00 C ATOM 0 H LEU A 46 12.031 1.550 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 46 9.084 1.671 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.812 0.568 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.093 0.257 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 46 10.021 3.104 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.968 3.088 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.271 2.058 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.776 1.319 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.881 3.399 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.605 1.642 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.659 2.596 -3.236 1.00 0.00 H new ATOM 652 N ALA A 47 9.019 -0.533 -0.373 1.00 0.00 N ATOM 653 CA ALA A 47 8.960 -1.813 0.322 1.00 0.00 C ATOM 654 C ALA A 47 7.519 -2.285 0.482 1.00 0.00 C ATOM 655 O ALA A 47 6.711 -1.635 1.145 1.00 0.00 O ATOM 656 CB ALA A 47 9.636 -1.707 1.681 1.00 0.00 C ATOM 0 H ALA A 47 8.220 0.078 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 47 9.492 -2.550 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.585 -2.670 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.680 -1.423 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.129 -0.952 2.282 1.00 0.00 H new ATOM 662 N VAL A 48 7.202 -3.422 -0.131 1.00 0.00 N ATOM 663 CA VAL A 48 5.858 -3.982 -0.057 1.00 0.00 C ATOM 664 C VAL A 48 5.693 -4.853 1.184 1.00 0.00 C ATOM 665 O VAL A 48 6.475 -5.775 1.414 1.00 0.00 O ATOM 666 CB VAL A 48 5.529 -4.820 -1.306 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.192 -5.526 -1.139 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.526 -3.943 -2.549 1.00 0.00 C ATOM 0 H VAL A 48 7.858 -3.973 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 48 5.167 -3.140 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 48 6.301 -5.580 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.977 -6.113 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.235 -6.186 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.405 -4.786 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.292 -4.551 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.776 -3.160 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.509 -3.489 -2.676 1.00 0.00 H new ATOM 678 N GLU A 49 4.671 -4.554 1.979 1.00 0.00 N ATOM 679 CA GLU A 49 4.405 -5.310 3.197 1.00 0.00 C ATOM 680 C GLU A 49 3.063 -6.032 3.107 1.00 0.00 C ATOM 681 O GLU A 49 2.006 -5.422 3.259 1.00 0.00 O ATOM 682 CB GLU A 49 4.416 -4.382 4.413 1.00 0.00 C ATOM 683 CG GLU A 49 5.736 -3.656 4.613 1.00 0.00 C ATOM 684 CD GLU A 49 5.910 -3.140 6.028 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.295 -2.107 6.364 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.663 -3.771 6.800 1.00 0.00 O ATOM 0 H GLU A 49 4.014 -3.794 1.802 1.00 0.00 H new ATOM 0 HA GLU A 49 5.193 -6.055 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.619 -3.646 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.193 -4.965 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.557 -4.331 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.796 -2.820 3.916 1.00 0.00 H new ATOM 693 N GLY A 50 3.115 -7.337 2.856 1.00 0.00 N ATOM 694 CA GLY A 50 1.899 -8.121 2.749 1.00 0.00 C ATOM 695 C GLY A 50 1.973 -9.416 3.533 1.00 0.00 C ATOM 696 O GLY A 50 2.850 -9.608 4.375 1.00 0.00 O ATOM 0 H GLY A 50 3.978 -7.865 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.057 -7.530 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.706 -8.346 1.700 1.00 0.00 H new ATOM 700 N PRO A 51 1.033 -10.333 3.258 1.00 0.00 N ATOM 701 CA PRO A 51 0.973 -11.632 3.934 1.00 0.00 C ATOM 702 C PRO A 51 2.124 -12.549 3.532 1.00 0.00 C ATOM 703 O PRO A 51 2.230 -13.676 4.014 1.00 0.00 O ATOM 704 CB PRO A 51 -0.363 -12.214 3.466 1.00 0.00 C ATOM 705 CG PRO A 51 -0.627 -11.553 2.158 1.00 0.00 C ATOM 706 CD PRO A 51 -0.044 -10.172 2.267 1.00 0.00 C ATOM 0 HA PRO A 51 1.054 -11.532 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.307 -13.297 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.158 -12.006 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.166 -12.108 1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.696 -11.510 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.341 -9.822 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.788 -9.447 2.596 1.00 0.00 H new ATOM 714 N SER A 52 2.983 -12.057 2.645 1.00 0.00 N ATOM 715 CA SER A 52 4.124 -12.834 2.175 1.00 0.00 C ATOM 716 C SER A 52 5.225 -11.917 1.649 1.00 0.00 C ATOM 717 O SER A 52 4.991 -10.740 1.373 1.00 0.00 O ATOM 718 CB SER A 52 3.689 -13.808 1.079 1.00 0.00 C ATOM 719 OG SER A 52 4.723 -14.726 0.772 1.00 0.00 O ATOM 0 H SER A 52 2.911 -11.125 2.238 1.00 0.00 H new ATOM 0 HA SER A 52 4.518 -13.401 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.801 -14.351 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.414 -13.252 0.183 1.00 0.00 H new ATOM 0 HG SER A 52 4.588 -15.081 -0.132 1.00 0.00 H new ATOM 725 N LYS A 53 6.428 -12.466 1.512 1.00 0.00 N ATOM 726 CA LYS A 53 7.566 -11.701 1.018 1.00 0.00 C ATOM 727 C LYS A 53 7.582 -11.671 -0.507 1.00 0.00 C ATOM 728 O LYS A 53 7.488 -12.711 -1.159 1.00 0.00 O ATOM 729 CB LYS A 53 8.874 -12.300 1.540 1.00 0.00 C ATOM 730 CG LYS A 53 10.084 -11.409 1.317 1.00 0.00 C ATOM 731 CD LYS A 53 11.337 -12.003 1.936 1.00 0.00 C ATOM 732 CE LYS A 53 12.463 -10.983 2.005 1.00 0.00 C ATOM 733 NZ LYS A 53 13.074 -10.740 0.669 1.00 0.00 N ATOM 0 H LYS A 53 6.639 -13.438 1.736 1.00 0.00 H new ATOM 0 HA LYS A 53 7.470 -10.678 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.772 -12.499 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.045 -13.259 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.239 -11.265 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.896 -10.425 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.112 -12.366 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.660 -12.864 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.079 -10.045 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.229 -11.334 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.837 -10.039 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.463 -11.630 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.349 -10.381 0.016 1.00 0.00 H new ATOM 747 N VAL A 54 7.702 -10.473 -1.070 1.00 0.00 N ATOM 748 CA VAL A 54 7.732 -10.308 -2.518 1.00 0.00 C ATOM 749 C VAL A 54 9.029 -9.647 -2.969 1.00 0.00 C ATOM 750 O VAL A 54 9.503 -8.697 -2.346 1.00 0.00 O ATOM 751 CB VAL A 54 6.541 -9.466 -3.012 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.330 -10.351 -3.269 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.208 -8.373 -2.008 1.00 0.00 C ATOM 0 H VAL A 54 7.780 -9.602 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 54 7.666 -11.306 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 54 6.821 -8.991 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.499 -9.738 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.576 -11.093 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.046 -10.856 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.364 -7.788 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.949 -8.825 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.072 -7.722 -1.879 1.00 0.00 H new ATOM 763 N ASP A 55 9.599 -10.155 -4.056 1.00 0.00 N ATOM 764 CA ASP A 55 10.842 -9.613 -4.593 1.00 0.00 C ATOM 765 C ASP A 55 10.602 -8.264 -5.264 1.00 0.00 C ATOM 766 O ASP A 55 9.869 -8.172 -6.249 1.00 0.00 O ATOM 767 CB ASP A 55 11.460 -10.591 -5.593 1.00 0.00 C ATOM 768 CG ASP A 55 11.913 -11.881 -4.937 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.093 -12.818 -4.844 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.086 -11.953 -4.517 1.00 0.00 O ATOM 0 H ASP A 55 9.220 -10.942 -4.583 1.00 0.00 H new ATOM 0 HA ASP A 55 11.534 -9.468 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.732 -10.819 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.311 -10.117 -6.082 1.00 0.00 H new ATOM 775 N ILE A 56 11.222 -7.221 -4.722 1.00 0.00 N ATOM 776 CA ILE A 56 11.075 -5.878 -5.268 1.00 0.00 C ATOM 777 C ILE A 56 12.191 -5.562 -6.258 1.00 0.00 C ATOM 778 O ILE A 56 13.344 -5.375 -5.868 1.00 0.00 O ATOM 779 CB ILE A 56 11.075 -4.814 -4.155 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.929 -5.072 -3.173 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.962 -3.420 -4.754 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.627 -4.420 -3.580 1.00 0.00 C ATOM 0 H ILE A 56 11.831 -7.280 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 56 10.116 -5.851 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 56 12.017 -4.879 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.775 -6.147 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.217 -4.706 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.963 -2.679 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.808 -3.239 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.034 -3.341 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.860 -4.645 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.765 -3.341 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.316 -4.804 -4.552 1.00 0.00 H new ATOM 794 N GLN A 57 11.841 -5.502 -7.538 1.00 0.00 N ATOM 795 CA GLN A 57 12.814 -5.207 -8.583 1.00 0.00 C ATOM 796 C GLN A 57 12.635 -3.786 -9.108 1.00 0.00 C ATOM 797 O GLN A 57 11.522 -3.365 -9.425 1.00 0.00 O ATOM 798 CB GLN A 57 12.680 -6.208 -9.732 1.00 0.00 C ATOM 799 CG GLN A 57 13.098 -7.621 -9.359 1.00 0.00 C ATOM 800 CD GLN A 57 12.660 -8.649 -10.384 1.00 0.00 C ATOM 801 OE1 GLN A 57 11.868 -8.352 -11.278 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.176 -9.866 -10.259 1.00 0.00 N ATOM 0 H GLN A 57 10.891 -5.654 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 57 13.811 -5.293 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.644 -6.222 -10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.286 -5.868 -10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.182 -7.659 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.673 -7.877 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.829 -10.068 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.919 -10.599 -10.920 1.00 0.00 H new ATOM 811 N THR A 58 13.738 -3.050 -9.198 1.00 0.00 N ATOM 812 CA THR A 58 13.703 -1.676 -9.682 1.00 0.00 C ATOM 813 C THR A 58 14.755 -1.447 -10.761 1.00 0.00 C ATOM 814 O THR A 58 15.764 -2.149 -10.816 1.00 0.00 O ATOM 815 CB THR A 58 13.931 -0.670 -8.538 1.00 0.00 C ATOM 816 OG1 THR A 58 15.083 -1.047 -7.776 1.00 0.00 O ATOM 817 CG2 THR A 58 12.714 -0.603 -7.627 1.00 0.00 C ATOM 0 H THR A 58 14.667 -3.383 -8.942 1.00 0.00 H new ATOM 0 HA THR A 58 12.711 -1.515 -10.104 1.00 0.00 H new ATOM 0 HB THR A 58 14.093 0.315 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.222 -0.401 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.898 0.114 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.845 -0.288 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.527 -1.587 -7.197 1.00 0.00 H new ATOM 825 N GLU A 59 14.513 -0.459 -11.618 1.00 0.00 N ATOM 826 CA GLU A 59 15.441 -0.139 -12.696 1.00 0.00 C ATOM 827 C GLU A 59 15.211 1.281 -13.208 1.00 0.00 C ATOM 828 O GLU A 59 14.072 1.702 -13.411 1.00 0.00 O ATOM 829 CB GLU A 59 15.288 -1.138 -13.844 1.00 0.00 C ATOM 830 CG GLU A 59 16.137 -0.803 -15.060 1.00 0.00 C ATOM 831 CD GLU A 59 16.376 -2.004 -15.953 1.00 0.00 C ATOM 832 OE1 GLU A 59 15.492 -2.314 -16.779 1.00 0.00 O ATOM 833 OE2 GLU A 59 17.447 -2.634 -15.827 1.00 0.00 O ATOM 0 H GLU A 59 13.683 0.133 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 59 16.454 -0.205 -12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.556 -2.132 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.240 -1.178 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.646 -0.019 -15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.096 -0.404 -14.730 1.00 0.00 H new ATOM 840 N ASP A 60 16.301 2.013 -13.413 1.00 0.00 N ATOM 841 CA ASP A 60 16.219 3.384 -13.901 1.00 0.00 C ATOM 842 C ASP A 60 15.937 3.412 -15.400 1.00 0.00 C ATOM 843 O ASP A 60 16.739 2.930 -16.202 1.00 0.00 O ATOM 844 CB ASP A 60 17.518 4.134 -13.600 1.00 0.00 C ATOM 845 CG ASP A 60 17.713 5.339 -14.499 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.891 6.276 -14.421 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.688 5.345 -15.278 1.00 0.00 O ATOM 0 H ASP A 60 17.251 1.680 -13.249 1.00 0.00 H new ATOM 0 HA ASP A 60 15.395 3.878 -13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.514 4.458 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.362 3.455 -13.720 1.00 0.00 H new ATOM 852 N LEU A 61 14.794 3.977 -15.771 1.00 0.00 N ATOM 853 CA LEU A 61 14.405 4.066 -17.175 1.00 0.00 C ATOM 854 C LEU A 61 15.017 5.299 -17.832 1.00 0.00 C ATOM 855 O LEU A 61 15.783 6.031 -17.206 1.00 0.00 O ATOM 856 CB LEU A 61 12.881 4.110 -17.300 1.00 0.00 C ATOM 857 CG LEU A 61 12.130 2.879 -16.791 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.646 2.992 -17.103 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.710 1.611 -17.399 1.00 0.00 C ATOM 0 H LEU A 61 14.120 4.380 -15.120 1.00 0.00 H new ATOM 0 HA LEU A 61 14.780 3.180 -17.688 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.517 4.983 -16.758 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.627 4.258 -18.350 1.00 0.00 H new ATOM 0 HG LEU A 61 12.249 2.826 -15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.128 2.107 -16.733 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.239 3.880 -16.619 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.506 3.071 -18.181 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.163 0.745 -17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.622 1.655 -18.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.761 1.523 -17.123 1.00 0.00 H new ATOM 871 N GLU A 62 14.670 5.523 -19.095 1.00 0.00 N ATOM 872 CA GLU A 62 15.185 6.669 -19.836 1.00 0.00 C ATOM 873 C GLU A 62 14.305 7.897 -19.619 1.00 0.00 C ATOM 874 O GLU A 62 14.722 9.026 -19.876 1.00 0.00 O ATOM 875 CB GLU A 62 15.268 6.345 -21.329 1.00 0.00 C ATOM 876 CG GLU A 62 13.927 5.992 -21.950 1.00 0.00 C ATOM 877 CD GLU A 62 14.022 5.750 -23.444 1.00 0.00 C ATOM 878 OE1 GLU A 62 14.745 6.508 -24.123 1.00 0.00 O ATOM 879 OE2 GLU A 62 13.373 4.802 -23.935 1.00 0.00 O ATOM 0 H GLU A 62 14.035 4.927 -19.626 1.00 0.00 H new ATOM 0 HA GLU A 62 16.186 6.889 -19.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.688 7.202 -21.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.957 5.513 -21.474 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.530 5.100 -21.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.219 6.799 -21.761 1.00 0.00 H new ATOM 886 N ASP A 63 13.085 7.666 -19.146 1.00 0.00 N ATOM 887 CA ASP A 63 12.145 8.752 -18.894 1.00 0.00 C ATOM 888 C ASP A 63 12.446 9.434 -17.563 1.00 0.00 C ATOM 889 O ASP A 63 11.801 10.416 -17.197 1.00 0.00 O ATOM 890 CB ASP A 63 10.710 8.224 -18.897 1.00 0.00 C ATOM 891 CG ASP A 63 10.402 7.390 -20.125 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.900 6.247 -20.205 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.665 7.879 -21.006 1.00 0.00 O ATOM 0 H ASP A 63 12.724 6.737 -18.930 1.00 0.00 H new ATOM 0 HA ASP A 63 12.255 9.487 -19.691 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.545 7.623 -18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.017 9.064 -18.849 1.00 0.00 H new ATOM 898 N GLY A 64 13.431 8.906 -16.842 1.00 0.00 N ATOM 899 CA GLY A 64 13.800 9.475 -15.560 1.00 0.00 C ATOM 900 C GLY A 64 12.893 9.011 -14.437 1.00 0.00 C ATOM 901 O GLY A 64 12.882 9.597 -13.354 1.00 0.00 O ATOM 0 H GLY A 64 13.980 8.094 -17.124 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.829 9.202 -15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.765 10.563 -15.625 1.00 0.00 H new ATOM 905 N THR A 65 12.128 7.954 -14.695 1.00 0.00 N ATOM 906 CA THR A 65 11.211 7.413 -13.699 1.00 0.00 C ATOM 907 C THR A 65 11.672 6.043 -13.215 1.00 0.00 C ATOM 908 O THR A 65 12.548 5.423 -13.819 1.00 0.00 O ATOM 909 CB THR A 65 9.781 7.294 -14.258 1.00 0.00 C ATOM 910 OG1 THR A 65 9.777 6.455 -15.419 1.00 0.00 O ATOM 911 CG2 THR A 65 9.223 8.664 -14.614 1.00 0.00 C ATOM 0 H THR A 65 12.126 7.456 -15.585 1.00 0.00 H new ATOM 0 HA THR A 65 11.208 8.109 -12.860 1.00 0.00 H new ATOM 0 HB THR A 65 9.149 6.851 -13.488 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.864 6.383 -15.767 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.212 8.554 -15.007 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.200 9.290 -13.722 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.857 9.130 -15.368 1.00 0.00 H new ATOM 919 N CYS A 66 11.075 5.575 -12.124 1.00 0.00 N ATOM 920 CA CYS A 66 11.425 4.277 -11.559 1.00 0.00 C ATOM 921 C CYS A 66 10.257 3.302 -11.673 1.00 0.00 C ATOM 922 O CYS A 66 9.136 3.610 -11.268 1.00 0.00 O ATOM 923 CB CYS A 66 11.837 4.429 -10.094 1.00 0.00 C ATOM 924 SG CYS A 66 12.756 3.018 -9.436 1.00 0.00 S ATOM 0 H CYS A 66 10.347 6.075 -11.614 1.00 0.00 H new ATOM 0 HA CYS A 66 12.266 3.877 -12.125 1.00 0.00 H new ATOM 0 HB2 CYS A 66 12.447 5.326 -9.990 1.00 0.00 H new ATOM 0 HB3 CYS A 66 10.942 4.580 -9.490 1.00 0.00 H new ATOM 0 HG CYS A 66 13.062 3.241 -8.192 1.00 0.00 H new ATOM 930 N LYS A 67 10.527 2.125 -12.228 1.00 0.00 N ATOM 931 CA LYS A 67 9.500 1.105 -12.396 1.00 0.00 C ATOM 932 C LYS A 67 9.702 -0.039 -11.408 1.00 0.00 C ATOM 933 O LYS A 67 10.680 -0.782 -11.494 1.00 0.00 O ATOM 934 CB LYS A 67 9.518 0.565 -13.828 1.00 0.00 C ATOM 935 CG LYS A 67 8.349 -0.351 -14.148 1.00 0.00 C ATOM 936 CD LYS A 67 8.284 -0.675 -15.631 1.00 0.00 C ATOM 937 CE LYS A 67 9.525 -1.424 -16.093 1.00 0.00 C ATOM 938 NZ LYS A 67 9.488 -1.712 -17.553 1.00 0.00 N ATOM 0 H LYS A 67 11.449 1.854 -12.569 1.00 0.00 H new ATOM 0 HA LYS A 67 8.531 1.565 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.512 1.404 -14.524 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.449 0.022 -13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.442 -1.275 -13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.418 0.123 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.398 -1.276 -15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.181 0.248 -16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.412 -0.834 -15.862 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.611 -2.360 -15.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.351 -2.223 -17.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.655 -2.296 -17.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.432 -0.818 -18.082 1.00 0.00 H new ATOM 952 N VAL A 68 8.770 -0.177 -10.470 1.00 0.00 N ATOM 953 CA VAL A 68 8.845 -1.232 -9.467 1.00 0.00 C ATOM 954 C VAL A 68 8.103 -2.482 -9.927 1.00 0.00 C ATOM 955 O VAL A 68 7.048 -2.394 -10.554 1.00 0.00 O ATOM 956 CB VAL A 68 8.261 -0.768 -8.119 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.469 -1.832 -7.052 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.884 0.553 -7.695 1.00 0.00 C ATOM 0 H VAL A 68 7.954 0.429 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 68 9.901 -1.468 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 68 7.189 -0.615 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.050 -1.486 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.971 -2.753 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.536 -2.020 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.460 0.866 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.962 0.430 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.677 1.312 -8.450 1.00 0.00 H new ATOM 968 N SER A 69 8.662 -3.646 -9.611 1.00 0.00 N ATOM 969 CA SER A 69 8.055 -4.915 -9.995 1.00 0.00 C ATOM 970 C SER A 69 8.116 -5.916 -8.845 1.00 0.00 C ATOM 971 O SER A 69 9.133 -6.033 -8.162 1.00 0.00 O ATOM 972 CB SER A 69 8.760 -5.490 -11.225 1.00 0.00 C ATOM 973 OG SER A 69 8.992 -4.485 -12.196 1.00 0.00 O ATOM 0 H SER A 69 9.534 -3.736 -9.090 1.00 0.00 H new ATOM 0 HA SER A 69 7.009 -4.731 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.708 -5.939 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.153 -6.285 -11.658 1.00 0.00 H new ATOM 0 HG SER A 69 9.445 -4.878 -12.971 1.00 0.00 H new ATOM 979 N TYR A 70 7.019 -6.635 -8.637 1.00 0.00 N ATOM 980 CA TYR A 70 6.945 -7.625 -7.569 1.00 0.00 C ATOM 981 C TYR A 70 6.071 -8.807 -7.981 1.00 0.00 C ATOM 982 O TYR A 70 5.117 -8.652 -8.743 1.00 0.00 O ATOM 983 CB TYR A 70 6.392 -6.988 -6.293 1.00 0.00 C ATOM 984 CG TYR A 70 4.934 -6.601 -6.391 1.00 0.00 C ATOM 985 CD1 TYR A 70 3.930 -7.527 -6.140 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.561 -5.307 -6.735 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.596 -7.178 -6.230 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.230 -4.948 -6.826 1.00 0.00 C ATOM 989 CZ TYR A 70 2.252 -5.887 -6.573 1.00 0.00 C ATOM 990 OH TYR A 70 0.925 -5.534 -6.662 1.00 0.00 O ATOM 0 H TYR A 70 6.169 -6.551 -9.194 1.00 0.00 H new ATOM 0 HA TYR A 70 7.953 -7.992 -7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.519 -7.685 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.979 -6.101 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.197 -8.538 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.325 -4.570 -6.935 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.828 -7.911 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.957 -3.938 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 70 0.854 -4.589 -6.912 1.00 0.00 H new ATOM 1000 N PHE A 71 6.406 -9.987 -7.470 1.00 0.00 N ATOM 1001 CA PHE A 71 5.653 -11.196 -7.783 1.00 0.00 C ATOM 1002 C PHE A 71 4.992 -11.765 -6.531 1.00 0.00 C ATOM 1003 O PHE A 71 5.618 -12.453 -5.726 1.00 0.00 O ATOM 1004 CB PHE A 71 6.573 -12.246 -8.410 1.00 0.00 C ATOM 1005 CG PHE A 71 5.833 -13.339 -9.128 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.152 -13.074 -10.305 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.820 -14.630 -8.626 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.470 -14.077 -10.968 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.140 -15.638 -9.285 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.465 -15.361 -10.457 1.00 0.00 C ATOM 0 H PHE A 71 7.193 -10.132 -6.838 1.00 0.00 H new ATOM 0 HA PHE A 71 4.872 -10.934 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.248 -11.754 -9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.191 -12.689 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.154 -12.072 -10.709 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.347 -14.852 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.942 -13.858 -11.884 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.137 -16.641 -8.883 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.934 -16.147 -10.974 1.00 0.00 H new ATOM 1020 N PRO A 72 3.694 -11.471 -6.363 1.00 0.00 N ATOM 1021 CA PRO A 72 2.918 -11.942 -5.212 1.00 0.00 C ATOM 1022 C PRO A 72 2.672 -13.447 -5.256 1.00 0.00 C ATOM 1023 O PRO A 72 2.567 -14.039 -6.330 1.00 0.00 O ATOM 1024 CB PRO A 72 1.597 -11.181 -5.339 1.00 0.00 C ATOM 1025 CG PRO A 72 1.479 -10.865 -6.790 1.00 0.00 C ATOM 1026 CD PRO A 72 2.884 -10.656 -7.283 1.00 0.00 C ATOM 0 HA PRO A 72 3.438 -11.766 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.757 -11.786 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.604 -10.273 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.993 -11.679 -7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.873 -9.973 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.000 -10.982 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.170 -9.605 -7.247 1.00 0.00 H new ATOM 1034 N THR A 73 2.582 -14.061 -4.080 1.00 0.00 N ATOM 1035 CA THR A 73 2.349 -15.497 -3.984 1.00 0.00 C ATOM 1036 C THR A 73 1.134 -15.800 -3.115 1.00 0.00 C ATOM 1037 O THR A 73 0.454 -16.808 -3.310 1.00 0.00 O ATOM 1038 CB THR A 73 3.575 -16.228 -3.406 1.00 0.00 C ATOM 1039 OG1 THR A 73 3.960 -15.631 -2.162 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.743 -16.179 -4.380 1.00 0.00 C ATOM 0 H THR A 73 2.667 -13.586 -3.181 1.00 0.00 H new ATOM 0 HA THR A 73 2.166 -15.856 -4.997 1.00 0.00 H new ATOM 0 HB THR A 73 3.304 -17.271 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.826 -15.993 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.597 -16.702 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.457 -16.659 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.012 -15.141 -4.573 1.00 0.00 H new ATOM 1048 N VAL A 74 0.866 -14.922 -2.154 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.269 -15.095 -1.255 1.00 0.00 C ATOM 1050 C VAL A 74 -1.228 -13.913 -1.347 1.00 0.00 C ATOM 1051 O VAL A 74 -0.841 -12.754 -1.191 1.00 0.00 O ATOM 1052 CB VAL A 74 0.192 -15.256 0.206 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.007 -15.333 1.138 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.072 -16.488 0.353 1.00 0.00 C ATOM 0 H VAL A 74 1.419 -14.084 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.785 -16.003 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 74 0.781 -14.381 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.662 -15.447 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.595 -14.419 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.625 -16.189 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.389 -16.587 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.509 -17.374 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.949 -16.387 -0.286 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.510 -14.210 -1.605 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.552 -13.185 -1.722 1.00 0.00 C ATOM 1066 C PRO A 75 -3.872 -12.528 -0.384 1.00 0.00 C ATOM 1067 O PRO A 75 -3.893 -13.189 0.654 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.763 -13.967 -2.237 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.531 -15.366 -1.780 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.042 -15.569 -1.802 1.00 0.00 C ATOM 0 HA PRO A 75 -3.247 -12.367 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.693 -13.568 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.837 -13.912 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.931 -15.520 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.031 -16.078 -2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.717 -16.246 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.709 -15.998 -2.747 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.120 -11.222 -0.415 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.436 -10.498 0.802 1.00 0.00 C ATOM 1080 C GLY A 76 -4.356 -8.995 0.621 1.00 0.00 C ATOM 1081 O GLY A 76 -4.880 -8.451 -0.351 1.00 0.00 O ATOM 0 H GLY A 76 -4.108 -10.653 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.439 -10.768 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.749 -10.803 1.591 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.698 -8.321 1.559 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.551 -6.872 1.499 1.00 0.00 C ATOM 1087 C VAL A 77 -2.084 -6.465 1.565 1.00 0.00 C ATOM 1088 O VAL A 77 -1.467 -6.501 2.630 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.317 -6.182 2.643 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.184 -4.670 2.539 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.780 -6.599 2.633 1.00 0.00 C ATOM 0 H VAL A 77 -3.258 -8.756 2.370 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.971 -6.551 0.546 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.880 -6.497 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.732 -4.200 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.132 -4.392 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.593 -4.333 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.306 -6.102 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.233 -6.315 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.851 -7.679 2.761 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.530 -6.078 0.421 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.134 -5.666 0.349 1.00 0.00 C ATOM 1103 C TYR A 78 -0.006 -4.151 0.477 1.00 0.00 C ATOM 1104 O TYR A 78 -0.634 -3.398 -0.268 1.00 0.00 O ATOM 1105 CB TYR A 78 0.490 -6.132 -0.968 1.00 0.00 C ATOM 1106 CG TYR A 78 0.753 -7.620 -1.020 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.251 -8.511 -1.377 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.006 -8.135 -0.710 1.00 0.00 C ATOM 1109 CE1 TYR A 78 -0.016 -9.871 -1.426 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.251 -9.494 -0.757 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.237 -10.358 -1.115 1.00 0.00 C ATOM 1112 OH TYR A 78 1.476 -11.712 -1.161 1.00 0.00 O ATOM 0 H TYR A 78 -2.027 -6.041 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 78 0.398 -6.129 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.172 -5.859 -1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.428 -5.600 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.233 -8.133 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.802 -7.462 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.808 -10.549 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.231 -9.878 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 78 0.624 -12.193 -1.207 1.00 0.00 H new ATOM 1122 N ILE A 79 0.813 -3.711 1.427 1.00 0.00 N ATOM 1123 CA ILE A 79 1.026 -2.287 1.652 1.00 0.00 C ATOM 1124 C ILE A 79 2.314 -1.812 0.989 1.00 0.00 C ATOM 1125 O ILE A 79 3.413 -2.108 1.459 1.00 0.00 O ATOM 1126 CB ILE A 79 1.083 -1.957 3.156 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.217 -2.380 3.843 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.340 -0.472 3.363 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.415 -1.554 3.429 1.00 0.00 C ATOM 0 H ILE A 79 1.340 -4.320 2.053 1.00 0.00 H new ATOM 0 HA ILE A 79 0.178 -1.767 1.206 1.00 0.00 H new ATOM 0 HB ILE A 79 1.906 -2.514 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.413 -3.428 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.089 -2.304 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.378 -0.255 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.290 -0.200 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.537 0.104 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.301 -1.909 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.240 -0.508 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.569 -1.649 2.354 1.00 0.00 H new ATOM 1141 N VAL A 80 2.172 -1.071 -0.105 1.00 0.00 N ATOM 1142 CA VAL A 80 3.324 -0.551 -0.832 1.00 0.00 C ATOM 1143 C VAL A 80 3.785 0.781 -0.251 1.00 0.00 C ATOM 1144 O VAL A 80 3.227 1.832 -0.562 1.00 0.00 O ATOM 1145 CB VAL A 80 3.006 -0.364 -2.327 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.153 0.346 -3.032 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.716 -1.706 -2.982 1.00 0.00 C ATOM 0 H VAL A 80 1.270 -0.817 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 80 4.123 -1.285 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 80 2.115 0.258 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.911 0.469 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.309 1.325 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.062 -0.247 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.493 -1.555 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.587 -2.354 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.860 -2.172 -2.494 1.00 0.00 H new ATOM 1157 N SER A 81 4.809 0.728 0.595 1.00 0.00 N ATOM 1158 CA SER A 81 5.345 1.930 1.223 1.00 0.00 C ATOM 1159 C SER A 81 6.242 2.695 0.255 1.00 0.00 C ATOM 1160 O SER A 81 7.420 2.373 0.095 1.00 0.00 O ATOM 1161 CB SER A 81 6.130 1.566 2.485 1.00 0.00 C ATOM 1162 OG SER A 81 5.264 1.401 3.594 1.00 0.00 O ATOM 0 H SER A 81 5.284 -0.134 0.861 1.00 0.00 H new ATOM 0 HA SER A 81 4.507 2.571 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.689 0.646 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.859 2.347 2.702 1.00 0.00 H new ATOM 0 HG SER A 81 5.789 1.167 4.387 1.00 0.00 H new ATOM 1168 N THR A 82 5.677 3.711 -0.390 1.00 0.00 N ATOM 1169 CA THR A 82 6.424 4.522 -1.343 1.00 0.00 C ATOM 1170 C THR A 82 6.879 5.833 -0.712 1.00 0.00 C ATOM 1171 O THR A 82 6.058 6.671 -0.337 1.00 0.00 O ATOM 1172 CB THR A 82 5.583 4.832 -2.596 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.844 3.671 -2.991 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.471 5.289 -3.744 1.00 0.00 C ATOM 0 H THR A 82 4.704 3.992 -0.269 1.00 0.00 H new ATOM 0 HA THR A 82 7.299 3.941 -1.636 1.00 0.00 H new ATOM 0 HB THR A 82 4.890 5.637 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.311 3.878 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.855 5.502 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.009 6.190 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.185 4.502 -3.987 1.00 0.00 H new ATOM 1182 N LYS A 83 8.191 6.005 -0.598 1.00 0.00 N ATOM 1183 CA LYS A 83 8.756 7.215 -0.014 1.00 0.00 C ATOM 1184 C LYS A 83 9.646 7.940 -1.019 1.00 0.00 C ATOM 1185 O LYS A 83 10.205 7.323 -1.926 1.00 0.00 O ATOM 1186 CB LYS A 83 9.561 6.873 1.242 1.00 0.00 C ATOM 1187 CG LYS A 83 8.737 6.894 2.517 1.00 0.00 C ATOM 1188 CD LYS A 83 9.621 6.882 3.753 1.00 0.00 C ATOM 1189 CE LYS A 83 8.795 6.828 5.029 1.00 0.00 C ATOM 1190 NZ LYS A 83 9.645 6.946 6.246 1.00 0.00 N ATOM 0 H LYS A 83 8.884 5.321 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 83 7.932 7.875 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.003 5.884 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.384 7.581 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.106 7.783 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.072 6.030 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.290 6.022 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.248 7.774 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.060 7.633 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.240 5.890 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.045 6.905 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.330 6.164 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.155 7.852 6.227 1.00 0.00 H new ATOM 1204 N PHE A 84 9.775 9.252 -0.850 1.00 0.00 N ATOM 1205 CA PHE A 84 10.598 10.060 -1.743 1.00 0.00 C ATOM 1206 C PHE A 84 11.252 11.212 -0.985 1.00 0.00 C ATOM 1207 O PHE A 84 10.593 12.187 -0.628 1.00 0.00 O ATOM 1208 CB PHE A 84 9.752 10.607 -2.895 1.00 0.00 C ATOM 1209 CG PHE A 84 10.490 11.580 -3.770 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.416 11.133 -4.697 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.256 12.942 -3.664 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.096 12.026 -5.505 1.00 0.00 C ATOM 1213 CE2 PHE A 84 10.932 13.839 -4.469 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.855 13.381 -5.389 1.00 0.00 C ATOM 0 H PHE A 84 9.321 9.778 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 84 11.384 9.423 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.402 9.775 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.868 11.096 -2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.610 10.075 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.538 13.306 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 84 12.814 11.664 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.739 14.898 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.387 14.081 -6.016 1.00 0.00 H new ATOM 1224 N ALA A 85 12.553 11.090 -0.743 1.00 0.00 N ATOM 1225 CA ALA A 85 13.297 12.120 -0.030 1.00 0.00 C ATOM 1226 C ALA A 85 12.825 12.237 1.416 1.00 0.00 C ATOM 1227 O ALA A 85 12.748 13.335 1.966 1.00 0.00 O ATOM 1228 CB ALA A 85 13.161 13.458 -0.741 1.00 0.00 C ATOM 0 H ALA A 85 13.113 10.288 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 85 14.348 11.832 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.722 14.218 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.554 13.373 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.110 13.743 -0.782 1.00 0.00 H new ATOM 1234 N ASP A 86 12.510 11.099 2.024 1.00 0.00 N ATOM 1235 CA ASP A 86 12.046 11.074 3.406 1.00 0.00 C ATOM 1236 C ASP A 86 10.660 11.700 3.525 1.00 0.00 C ATOM 1237 O ASP A 86 10.400 12.486 4.435 1.00 0.00 O ATOM 1238 CB ASP A 86 13.032 11.812 4.311 1.00 0.00 C ATOM 1239 CG ASP A 86 14.467 11.672 3.841 1.00 0.00 C ATOM 1240 OD1 ASP A 86 15.071 10.607 4.086 1.00 0.00 O ATOM 1241 OD2 ASP A 86 14.985 12.627 3.226 1.00 0.00 O ATOM 0 H ASP A 86 12.567 10.182 1.582 1.00 0.00 H new ATOM 0 HA ASP A 86 11.983 10.033 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.766 12.868 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.946 11.427 5.327 1.00 0.00 H new ATOM 1246 N GLU A 87 9.774 11.346 2.598 1.00 0.00 N ATOM 1247 CA GLU A 87 8.416 11.876 2.599 1.00 0.00 C ATOM 1248 C GLU A 87 7.484 10.985 1.783 1.00 0.00 C ATOM 1249 O GLU A 87 7.638 10.854 0.568 1.00 0.00 O ATOM 1250 CB GLU A 87 8.399 13.300 2.038 1.00 0.00 C ATOM 1251 CG GLU A 87 8.631 14.371 3.090 1.00 0.00 C ATOM 1252 CD GLU A 87 8.367 15.770 2.567 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.230 16.033 2.123 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.299 16.601 2.601 1.00 0.00 O ATOM 0 H GLU A 87 9.973 10.695 1.838 1.00 0.00 H new ATOM 0 HA GLU A 87 8.062 11.896 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.165 13.387 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.439 13.480 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.985 14.180 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.659 14.308 3.446 1.00 0.00 H new ATOM 1261 N HIS A 88 6.517 10.374 2.460 1.00 0.00 N ATOM 1262 CA HIS A 88 5.559 9.495 1.798 1.00 0.00 C ATOM 1263 C HIS A 88 4.760 10.256 0.745 1.00 0.00 C ATOM 1264 O HIS A 88 4.240 11.341 1.010 1.00 0.00 O ATOM 1265 CB HIS A 88 4.611 8.873 2.825 1.00 0.00 C ATOM 1266 CG HIS A 88 5.113 7.585 3.401 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.918 6.363 2.793 1.00 0.00 N ATOM 1268 CD2 HIS A 88 5.807 7.334 4.535 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.469 5.415 3.530 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.016 5.978 4.593 1.00 0.00 N ATOM 0 H HIS A 88 6.376 10.471 3.466 1.00 0.00 H new ATOM 0 HA HIS A 88 6.116 8.701 1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.448 9.584 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.643 8.698 2.355 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.426 6.214 1.912 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.135 8.064 5.260 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.472 4.359 3.302 1.00 0.00 H new ATOM 1279 N VAL A 89 4.665 9.682 -0.450 1.00 0.00 N ATOM 1280 CA VAL A 89 3.929 10.306 -1.542 1.00 0.00 C ATOM 1281 C VAL A 89 2.527 10.709 -1.100 1.00 0.00 C ATOM 1282 O VAL A 89 1.984 10.192 -0.123 1.00 0.00 O ATOM 1283 CB VAL A 89 3.822 9.365 -2.757 1.00 0.00 C ATOM 1284 CG1 VAL A 89 5.042 9.510 -3.654 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.653 7.924 -2.300 1.00 0.00 C ATOM 0 H VAL A 89 5.089 8.785 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 89 4.486 11.197 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 89 2.941 9.644 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.949 8.838 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.113 10.538 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.940 9.258 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.579 7.272 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.513 7.630 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.746 7.836 -1.703 1.00 0.00 H new ATOM 1295 N PRO A 90 1.924 11.655 -1.836 1.00 0.00 N ATOM 1296 CA PRO A 90 0.576 12.148 -1.539 1.00 0.00 C ATOM 1297 C PRO A 90 -0.499 11.104 -1.822 1.00 0.00 C ATOM 1298 O PRO A 90 -1.067 11.064 -2.913 1.00 0.00 O ATOM 1299 CB PRO A 90 0.420 13.345 -2.481 1.00 0.00 C ATOM 1300 CG PRO A 90 1.350 13.060 -3.611 1.00 0.00 C ATOM 1301 CD PRO A 90 2.511 12.315 -3.013 1.00 0.00 C ATOM 0 HA PRO A 90 0.457 12.399 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.608 13.444 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.678 14.279 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.859 12.464 -4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.682 13.983 -4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.927 11.591 -3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.320 12.990 -2.733 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.773 10.260 -0.832 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.780 9.228 -0.996 1.00 0.00 C ATOM 1311 C GLY A 91 -1.351 7.901 -0.401 1.00 0.00 C ATOM 1312 O GLY A 91 -2.088 6.917 -0.465 1.00 0.00 O ATOM 0 H GLY A 91 -0.316 10.272 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.708 9.551 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.991 9.096 -2.057 1.00 0.00 H new ATOM 1316 N SER A 92 -0.155 7.873 0.178 1.00 0.00 N ATOM 1317 CA SER A 92 0.374 6.655 0.782 1.00 0.00 C ATOM 1318 C SER A 92 -0.108 6.510 2.222 1.00 0.00 C ATOM 1319 O SER A 92 -0.555 7.467 2.854 1.00 0.00 O ATOM 1320 CB SER A 92 1.903 6.663 0.742 1.00 0.00 C ATOM 1321 OG SER A 92 2.387 6.001 -0.413 1.00 0.00 O ATOM 0 H SER A 92 0.466 8.680 0.242 1.00 0.00 H new ATOM 0 HA SER A 92 0.008 5.805 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.265 7.691 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.296 6.177 1.635 1.00 0.00 H new ATOM 0 HG SER A 92 1.728 6.078 -1.134 1.00 0.00 H new ATOM 1327 N PRO A 93 -0.017 5.282 2.755 1.00 0.00 N ATOM 1328 CA PRO A 93 0.513 4.134 2.012 1.00 0.00 C ATOM 1329 C PRO A 93 -0.423 3.686 0.894 1.00 0.00 C ATOM 1330 O PRO A 93 -1.551 4.167 0.784 1.00 0.00 O ATOM 1331 CB PRO A 93 0.630 3.044 3.080 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.376 3.417 4.114 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.423 4.920 4.123 1.00 0.00 C ATOM 0 HA PRO A 93 1.456 4.368 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.423 2.058 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.635 3.008 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.354 2.997 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.092 3.030 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.421 5.289 4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.254 5.339 4.867 1.00 0.00 H new ATOM 1341 N PHE A 94 0.053 2.762 0.066 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.741 2.249 -1.045 1.00 0.00 C ATOM 1343 C PHE A 94 -1.263 0.848 -0.739 1.00 0.00 C ATOM 1344 O PHE A 94 -0.497 -0.115 -0.688 1.00 0.00 O ATOM 1345 CB PHE A 94 0.091 2.227 -2.328 1.00 0.00 C ATOM 1346 CG PHE A 94 0.112 3.543 -3.052 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.442 4.712 -2.385 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.200 3.612 -4.400 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.461 5.924 -3.048 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.182 4.821 -5.069 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.148 5.979 -4.392 1.00 0.00 C ATOM 0 H PHE A 94 0.984 2.353 0.143 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.594 2.913 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.114 1.940 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.305 1.461 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.687 4.675 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.460 2.710 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.720 6.827 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.426 4.861 -6.120 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.161 6.925 -4.913 1.00 0.00 H new ATOM 1361 N THR A 95 -2.572 0.741 -0.536 1.00 0.00 N ATOM 1362 CA THR A 95 -3.196 -0.540 -0.233 1.00 0.00 C ATOM 1363 C THR A 95 -3.578 -1.281 -1.510 1.00 0.00 C ATOM 1364 O THR A 95 -4.533 -0.910 -2.193 1.00 0.00 O ATOM 1365 CB THR A 95 -4.454 -0.361 0.638 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.102 0.242 1.888 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.135 -1.698 0.888 1.00 0.00 C ATOM 0 H THR A 95 -3.221 1.527 -0.576 1.00 0.00 H new ATOM 0 HA THR A 95 -2.461 -1.126 0.319 1.00 0.00 H new ATOM 0 HB THR A 95 -5.149 0.288 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.907 0.354 2.435 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.020 -1.546 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.428 -2.141 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.445 -2.367 1.402 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.827 -2.330 -1.827 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.088 -3.125 -3.022 1.00 0.00 C ATOM 1377 C VAL A 96 -3.690 -4.478 -2.661 1.00 0.00 C ATOM 1378 O VAL A 96 -3.032 -5.320 -2.050 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.801 -3.349 -3.839 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.102 -4.143 -5.101 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.149 -2.018 -4.180 1.00 0.00 C ATOM 0 H VAL A 96 -2.032 -2.650 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.800 -2.564 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.102 -3.926 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.182 -4.292 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.522 -5.112 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.819 -3.595 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.241 -2.195 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.841 -1.414 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.897 -1.490 -3.260 1.00 0.00 H new ATOM 1391 N LYS A 97 -4.946 -4.681 -3.044 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.639 -5.933 -2.763 1.00 0.00 C ATOM 1393 C LYS A 97 -5.312 -6.984 -3.819 1.00 0.00 C ATOM 1394 O LYS A 97 -5.567 -6.785 -5.007 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.151 -5.702 -2.710 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.646 -5.231 -1.353 1.00 0.00 C ATOM 1397 CD LYS A 97 -7.489 -3.728 -1.194 1.00 0.00 C ATOM 1398 CE LYS A 97 -8.270 -3.209 0.004 1.00 0.00 C ATOM 1399 NZ LYS A 97 -7.808 -3.827 1.277 1.00 0.00 N ATOM 0 H LYS A 97 -5.505 -3.994 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.299 -6.298 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.424 -4.963 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.661 -6.629 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.695 -5.503 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.092 -5.741 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.434 -3.482 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.834 -3.227 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.163 -2.126 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.331 -3.417 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.214 -3.309 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.116 -4.820 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.770 -3.785 1.327 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.747 -8.103 -3.378 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.388 -9.186 -4.285 1.00 0.00 C ATOM 1415 C ILE A 98 -5.368 -10.349 -4.168 1.00 0.00 C ATOM 1416 O ILE A 98 -5.555 -10.910 -3.089 1.00 0.00 O ATOM 1417 CB ILE A 98 -2.963 -9.701 -4.011 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -1.945 -8.574 -4.194 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.637 -10.871 -4.928 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -1.997 -7.929 -5.562 1.00 0.00 C ATOM 0 H ILE A 98 -4.528 -8.283 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.430 -8.778 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.911 -10.048 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.119 -7.811 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.943 -8.969 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.626 -11.224 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.347 -11.680 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.704 -10.549 -5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.248 -7.139 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.793 -8.679 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.987 -7.504 -5.726 1.00 0.00 H new ATOM 1432 N SER A 99 -5.990 -10.706 -5.287 1.00 0.00 N ATOM 1433 CA SER A 99 -6.953 -11.801 -5.311 1.00 0.00 C ATOM 1434 C SER A 99 -6.287 -13.100 -5.754 1.00 0.00 C ATOM 1435 O SER A 99 -5.264 -13.085 -6.438 1.00 0.00 O ATOM 1436 CB SER A 99 -8.116 -11.465 -6.246 1.00 0.00 C ATOM 1437 OG SER A 99 -8.784 -10.288 -5.827 1.00 0.00 O ATOM 0 H SER A 99 -5.844 -10.253 -6.189 1.00 0.00 H new ATOM 0 HA SER A 99 -7.337 -11.937 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.743 -11.333 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.820 -12.297 -6.270 1.00 0.00 H new ATOM 0 HG SER A 99 -9.522 -10.094 -6.442 1.00 0.00 H new