USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -162:sc= 0 (180deg=-0.23) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00785 X(o=-0.0079,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 70:sc= 0.882 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -9.818 -11.759 3.023 1.00 0.00 N ATOM 117 CA SER A 9 -10.563 -11.319 4.190 1.00 0.00 C ATOM 118 C SER A 9 -10.768 -12.492 5.152 1.00 0.00 C ATOM 119 O SER A 9 -10.152 -13.545 4.992 1.00 0.00 O ATOM 120 CB SER A 9 -11.912 -10.719 3.790 1.00 0.00 C ATOM 121 OG SER A 9 -12.161 -9.480 4.447 1.00 0.00 O ATOM 0 HA SER A 9 -9.986 -10.542 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.936 -10.568 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.708 -11.424 4.031 1.00 0.00 H new ATOM 0 HG SER A 9 -13.031 -9.129 4.164 1.00 0.00 H new ATOM 127 N GLY A 10 -11.635 -12.270 6.128 1.00 0.00 N ATOM 128 CA GLY A 10 -11.929 -13.295 7.115 1.00 0.00 C ATOM 129 C GLY A 10 -10.986 -13.188 8.315 1.00 0.00 C ATOM 130 O GLY A 10 -10.294 -12.184 8.478 1.00 0.00 O ATOM 0 H GLY A 10 -12.144 -11.395 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.962 -13.197 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.834 -14.281 6.660 1.00 0.00 H new ATOM 134 N ARG A 11 -10.988 -14.237 9.125 1.00 0.00 N ATOM 135 CA ARG A 11 -10.141 -14.273 10.305 1.00 0.00 C ATOM 136 C ARG A 11 -8.720 -13.826 9.952 1.00 0.00 C ATOM 137 O ARG A 11 -8.136 -12.996 10.647 1.00 0.00 O ATOM 138 CB ARG A 11 -10.092 -15.680 10.904 1.00 0.00 C ATOM 139 CG ARG A 11 -9.806 -16.726 9.825 1.00 0.00 C ATOM 140 CD ARG A 11 -8.329 -17.126 9.827 1.00 0.00 C ATOM 141 NE ARG A 11 -7.935 -17.612 8.486 1.00 0.00 N ATOM 142 CZ ARG A 11 -6.748 -18.193 8.210 1.00 0.00 C ATOM 143 NH1 ARG A 11 -5.827 -18.365 9.182 1.00 0.00 N ATOM 144 NH2 ARG A 11 -6.501 -18.590 6.975 1.00 0.00 N ATOM 0 H ARG A 11 -11.563 -15.068 8.987 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.567 -13.592 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.321 -15.725 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.041 -15.905 11.391 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.425 -17.607 9.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.078 -16.329 8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.713 -16.272 10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.155 -17.904 10.570 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.602 -17.501 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.026 -18.055 10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.933 -18.805 8.965 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.202 -18.456 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.609 -19.031 6.750 1.00 0.00 H new ATOM 158 N ALA A 12 -8.205 -14.397 8.873 1.00 0.00 N ATOM 159 CA ALA A 12 -6.864 -14.068 8.420 1.00 0.00 C ATOM 160 C ALA A 12 -6.658 -12.555 8.509 1.00 0.00 C ATOM 161 O ALA A 12 -5.583 -12.093 8.891 1.00 0.00 O ATOM 162 CB ALA A 12 -6.659 -14.602 7.001 1.00 0.00 C ATOM 0 H ALA A 12 -8.692 -15.085 8.299 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.117 -14.541 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.653 -14.355 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.788 -15.684 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.390 -14.147 6.332 1.00 0.00 H new ATOM 168 N ALA A 13 -7.704 -11.825 8.151 1.00 0.00 N ATOM 169 CA ALA A 13 -7.650 -10.373 8.186 1.00 0.00 C ATOM 170 C ALA A 13 -6.944 -9.923 9.467 1.00 0.00 C ATOM 171 O ALA A 13 -5.963 -9.184 9.412 1.00 0.00 O ATOM 172 CB ALA A 13 -9.067 -9.807 8.071 1.00 0.00 C ATOM 0 H ALA A 13 -8.594 -12.211 7.835 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.076 -9.990 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.027 -8.718 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.513 -10.131 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.672 -10.168 8.903 1.00 0.00 H new ATOM 178 N VAL A 14 -7.472 -10.388 10.589 1.00 0.00 N ATOM 179 CA VAL A 14 -6.905 -10.043 11.882 1.00 0.00 C ATOM 180 C VAL A 14 -5.383 -10.189 11.821 1.00 0.00 C ATOM 181 O VAL A 14 -4.653 -9.288 12.234 1.00 0.00 O ATOM 182 CB VAL A 14 -7.543 -10.898 12.979 1.00 0.00 C ATOM 183 CG1 VAL A 14 -6.775 -10.764 14.295 1.00 0.00 C ATOM 184 CG2 VAL A 14 -9.019 -10.537 13.165 1.00 0.00 C ATOM 0 H VAL A 14 -8.286 -11.001 10.630 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.124 -9.004 12.130 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.490 -11.941 12.666 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.249 -11.382 15.058 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.746 -11.092 14.151 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.782 -9.722 14.616 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.449 -11.159 13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.104 -9.487 13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.556 -10.708 12.232 1.00 0.00 H new ATOM 194 N ALA A 15 -4.949 -11.329 11.304 1.00 0.00 N ATOM 195 CA ALA A 15 -3.527 -11.603 11.184 1.00 0.00 C ATOM 196 C ALA A 15 -2.856 -10.465 10.412 1.00 0.00 C ATOM 197 O ALA A 15 -1.794 -9.986 10.806 1.00 0.00 O ATOM 198 CB ALA A 15 -3.325 -12.963 10.511 1.00 0.00 C ATOM 0 H ALA A 15 -5.557 -12.074 10.963 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.061 -11.653 12.168 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.259 -13.169 10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.795 -13.740 11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.777 -12.949 9.519 1.00 0.00 H new ATOM 204 N ALA A 16 -3.503 -10.066 9.328 1.00 0.00 N ATOM 205 CA ALA A 16 -2.982 -8.993 8.498 1.00 0.00 C ATOM 206 C ALA A 16 -2.895 -7.710 9.326 1.00 0.00 C ATOM 207 O ALA A 16 -2.034 -6.866 9.081 1.00 0.00 O ATOM 208 CB ALA A 16 -3.867 -8.829 7.260 1.00 0.00 C ATOM 0 H ALA A 16 -4.384 -10.466 9.005 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.976 -9.230 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.476 -8.024 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.872 -9.758 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.884 -8.587 7.569 1.00 0.00 H new ATOM 214 N VAL A 17 -3.799 -7.602 10.289 1.00 0.00 N ATOM 215 CA VAL A 17 -3.835 -6.435 11.154 1.00 0.00 C ATOM 216 C VAL A 17 -2.787 -6.592 12.258 1.00 0.00 C ATOM 217 O VAL A 17 -2.364 -5.608 12.862 1.00 0.00 O ATOM 218 CB VAL A 17 -5.250 -6.230 11.698 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.260 -5.197 12.826 1.00 0.00 C ATOM 220 CG2 VAL A 17 -6.215 -5.831 10.579 1.00 0.00 C ATOM 0 H VAL A 17 -4.512 -8.303 10.489 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.584 -5.535 10.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.591 -7.179 12.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.278 -5.070 13.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.620 -5.540 13.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.889 -4.244 12.450 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.214 -5.691 10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.878 -4.900 10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.241 -6.617 9.824 1.00 0.00 H new ATOM 230 N VAL A 18 -2.399 -7.838 12.489 1.00 0.00 N ATOM 231 CA VAL A 18 -1.410 -8.137 13.510 1.00 0.00 C ATOM 232 C VAL A 18 -0.028 -7.704 13.016 1.00 0.00 C ATOM 233 O VAL A 18 0.892 -7.523 13.813 1.00 0.00 O ATOM 234 CB VAL A 18 -1.474 -9.619 13.883 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.268 -10.023 14.734 1.00 0.00 C ATOM 236 CG2 VAL A 18 -2.785 -9.948 14.599 1.00 0.00 C ATOM 0 H VAL A 18 -2.752 -8.652 11.986 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.620 -7.577 14.421 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.442 -10.198 12.960 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.338 -11.081 14.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.649 -9.843 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.255 -9.433 15.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.805 -11.008 14.853 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.861 -9.355 15.510 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.625 -9.716 13.944 1.00 0.00 H new ATOM 246 N GLY A 19 0.076 -7.550 11.704 1.00 0.00 N ATOM 247 CA GLY A 19 1.330 -7.141 11.095 1.00 0.00 C ATOM 248 C GLY A 19 1.083 -6.346 9.812 1.00 0.00 C ATOM 249 O GLY A 19 0.619 -6.898 8.815 1.00 0.00 O ATOM 0 H GLY A 19 -0.688 -7.701 11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.899 -6.534 11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.934 -8.021 10.871 1.00 0.00 H new ATOM 253 N GLY A 20 1.403 -5.063 9.878 1.00 0.00 N ATOM 254 CA GLY A 20 1.222 -4.186 8.733 1.00 0.00 C ATOM 255 C GLY A 20 0.900 -2.759 9.181 1.00 0.00 C ATOM 256 O GLY A 20 1.205 -1.799 8.475 1.00 0.00 O ATOM 0 H GLY A 20 1.787 -4.609 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.127 -4.185 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.416 -4.564 8.104 1.00 0.00 H new ATOM 260 N VAL A 21 0.287 -2.665 10.352 1.00 0.00 N ATOM 261 CA VAL A 21 -0.080 -1.371 10.902 1.00 0.00 C ATOM 262 C VAL A 21 1.102 -0.410 10.766 1.00 0.00 C ATOM 263 O VAL A 21 0.959 0.682 10.217 1.00 0.00 O ATOM 264 CB VAL A 21 -0.556 -1.533 12.347 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.521 -2.197 13.208 1.00 0.00 C ATOM 266 CG2 VAL A 21 -0.979 -0.187 12.940 1.00 0.00 C ATOM 0 H VAL A 21 0.035 -3.463 10.935 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.913 -0.942 10.346 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.429 -2.185 12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.157 -2.300 14.230 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.753 -3.182 12.804 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.421 -1.582 13.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.313 -0.331 13.968 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.132 0.499 12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.794 0.231 12.349 1.00 0.00 H new ATOM 276 N VAL A 22 2.243 -0.850 11.275 1.00 0.00 N ATOM 277 CA VAL A 22 3.450 -0.042 11.217 1.00 0.00 C ATOM 278 C VAL A 22 3.662 0.447 9.783 1.00 0.00 C ATOM 279 O VAL A 22 3.911 1.630 9.557 1.00 0.00 O ATOM 280 CB VAL A 22 4.639 -0.837 11.760 1.00 0.00 C ATOM 281 CG1 VAL A 22 4.440 -1.181 13.238 1.00 0.00 C ATOM 282 CG2 VAL A 22 4.878 -2.101 10.931 1.00 0.00 C ATOM 0 H VAL A 22 2.358 -1.756 11.730 1.00 0.00 H new ATOM 0 HA VAL A 22 3.350 0.840 11.850 1.00 0.00 H new ATOM 0 HB VAL A 22 5.526 -0.209 11.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.299 -1.746 13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.342 -0.262 13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.537 -1.781 13.354 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.729 -2.648 11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.990 -2.732 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.086 -1.824 9.897 1.00 0.00 H new ATOM 292 N ALA A 23 3.556 -0.488 8.851 1.00 0.00 N ATOM 293 CA ALA A 23 3.734 -0.167 7.445 1.00 0.00 C ATOM 294 C ALA A 23 2.774 0.959 7.058 1.00 0.00 C ATOM 295 O ALA A 23 3.123 1.833 6.266 1.00 0.00 O ATOM 296 CB ALA A 23 3.524 -1.427 6.603 1.00 0.00 C ATOM 0 H ALA A 23 3.349 -1.468 9.042 1.00 0.00 H new ATOM 0 HA ALA A 23 4.748 0.185 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.657 -1.186 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.249 -2.186 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.515 -1.808 6.763 1.00 0.00 H new ATOM 302 N VAL A 24 1.582 0.902 7.635 1.00 0.00 N ATOM 303 CA VAL A 24 0.569 1.906 7.361 1.00 0.00 C ATOM 304 C VAL A 24 0.983 3.231 8.004 1.00 0.00 C ATOM 305 O VAL A 24 0.635 4.302 7.508 1.00 0.00 O ATOM 306 CB VAL A 24 -0.799 1.413 7.836 1.00 0.00 C ATOM 307 CG1 VAL A 24 -1.867 2.493 7.649 1.00 0.00 C ATOM 308 CG2 VAL A 24 -1.195 0.121 7.118 1.00 0.00 C ATOM 0 H VAL A 24 1.296 0.176 8.291 1.00 0.00 H new ATOM 0 HA VAL A 24 0.483 2.078 6.288 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.725 1.196 8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.830 2.116 7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.595 3.377 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.938 2.756 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.171 -0.208 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.242 0.301 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.454 -0.652 7.324 1.00 0.00 H new ATOM 318 N GLY A 25 1.719 3.116 9.099 1.00 0.00 N ATOM 319 CA GLY A 25 2.184 4.291 9.816 1.00 0.00 C ATOM 320 C GLY A 25 3.195 5.079 8.979 1.00 0.00 C ATOM 321 O GLY A 25 2.995 6.263 8.712 1.00 0.00 O ATOM 0 H GLY A 25 2.005 2.226 9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.336 4.929 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.643 3.989 10.758 1.00 0.00 H new ATOM 325 N THR A 26 4.257 4.390 8.590 1.00 0.00 N ATOM 326 CA THR A 26 5.299 5.011 7.789 1.00 0.00 C ATOM 327 C THR A 26 4.724 5.516 6.465 1.00 0.00 C ATOM 328 O THR A 26 4.995 6.645 6.056 1.00 0.00 O ATOM 329 CB THR A 26 6.429 3.994 7.613 1.00 0.00 C ATOM 330 OG1 THR A 26 6.979 3.856 8.920 1.00 0.00 O ATOM 331 CG2 THR A 26 7.586 4.544 6.777 1.00 0.00 C ATOM 0 H THR A 26 4.419 3.408 8.814 1.00 0.00 H new ATOM 0 HA THR A 26 5.709 5.891 8.285 1.00 0.00 H new ATOM 0 HB THR A 26 6.037 3.093 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.718 3.213 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.361 3.783 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.222 4.816 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.001 5.426 7.266 1.00 0.00 H new ATOM 339 N VAL A 27 3.941 4.657 5.830 1.00 0.00 N ATOM 340 CA VAL A 27 3.325 5.002 4.560 1.00 0.00 C ATOM 341 C VAL A 27 2.595 6.339 4.699 1.00 0.00 C ATOM 342 O VAL A 27 2.834 7.265 3.925 1.00 0.00 O ATOM 343 CB VAL A 27 2.411 3.866 4.096 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.317 4.390 3.163 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.217 2.752 3.425 1.00 0.00 C ATOM 0 H VAL A 27 3.719 3.722 6.171 1.00 0.00 H new ATOM 0 HA VAL A 27 4.084 5.125 3.788 1.00 0.00 H new ATOM 0 HB VAL A 27 1.927 3.444 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.681 3.563 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.715 5.131 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.775 4.850 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.543 1.957 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.742 3.154 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.941 2.350 4.133 1.00 0.00 H new ATOM 355 N LEU A 28 1.718 6.397 5.690 1.00 0.00 N ATOM 356 CA LEU A 28 0.951 7.606 5.941 1.00 0.00 C ATOM 357 C LEU A 28 1.909 8.782 6.135 1.00 0.00 C ATOM 358 O LEU A 28 1.706 9.854 5.566 1.00 0.00 O ATOM 359 CB LEU A 28 -0.011 7.397 7.112 1.00 0.00 C ATOM 360 CG LEU A 28 -1.499 7.350 6.758 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.962 8.678 6.156 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.807 6.166 5.839 1.00 0.00 C ATOM 0 H LEU A 28 1.521 5.627 6.329 1.00 0.00 H new ATOM 0 HA LEU A 28 0.324 7.844 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.253 6.465 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.145 8.200 7.833 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.064 7.199 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.023 8.617 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.800 9.480 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.394 8.884 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.871 6.156 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.232 6.261 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.538 5.236 6.341 1.00 0.00 H new ATOM 374 N VAL A 29 2.934 8.543 6.940 1.00 0.00 N ATOM 375 CA VAL A 29 3.925 9.569 7.216 1.00 0.00 C ATOM 376 C VAL A 29 4.525 10.060 5.897 1.00 0.00 C ATOM 377 O VAL A 29 4.921 11.219 5.785 1.00 0.00 O ATOM 378 CB VAL A 29 4.977 9.033 8.189 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.231 9.908 8.177 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.405 8.913 9.603 1.00 0.00 C ATOM 0 H VAL A 29 3.100 7.653 7.410 1.00 0.00 H new ATOM 0 HA VAL A 29 3.461 10.427 7.702 1.00 0.00 H new ATOM 0 HB VAL A 29 5.262 8.035 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.963 9.505 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.657 9.920 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.968 10.924 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.173 8.530 10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.078 9.894 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.556 8.230 9.595 1.00 0.00 H new ATOM 390 N ALA A 30 4.573 9.154 4.932 1.00 0.00 N ATOM 391 CA ALA A 30 5.118 9.481 3.625 1.00 0.00 C ATOM 392 C ALA A 30 4.158 10.424 2.898 1.00 0.00 C ATOM 393 O ALA A 30 4.527 11.544 2.549 1.00 0.00 O ATOM 394 CB ALA A 30 5.374 8.192 2.842 1.00 0.00 C ATOM 0 H ALA A 30 4.244 8.194 5.029 1.00 0.00 H new ATOM 0 HA ALA A 30 6.073 9.997 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.783 8.437 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.085 7.571 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.437 7.649 2.719 1.00 0.00 H new ATOM 400 N LEU A 31 2.943 9.936 2.691 1.00 0.00 N ATOM 401 CA LEU A 31 1.927 10.721 2.011 1.00 0.00 C ATOM 402 C LEU A 31 1.862 12.115 2.638 1.00 0.00 C ATOM 403 O LEU A 31 1.721 13.111 1.931 1.00 0.00 O ATOM 404 CB LEU A 31 0.588 9.982 2.014 1.00 0.00 C ATOM 405 CG LEU A 31 -0.421 10.417 0.950 1.00 0.00 C ATOM 406 CD1 LEU A 31 -1.140 11.701 1.368 1.00 0.00 C ATOM 407 CD2 LEU A 31 0.250 10.555 -0.418 1.00 0.00 C ATOM 0 H LEU A 31 2.640 9.007 2.982 1.00 0.00 H new ATOM 0 HA LEU A 31 2.188 10.855 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.783 8.917 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.129 10.107 2.995 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.179 9.639 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.852 11.988 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.671 11.532 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.410 12.499 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.489 10.865 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.042 11.302 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.676 9.596 -0.712 1.00 0.00 H new ATOM 419 N SER A 32 1.968 12.140 3.958 1.00 0.00 N ATOM 420 CA SER A 32 1.923 13.396 4.689 1.00 0.00 C ATOM 421 C SER A 32 3.152 14.242 4.350 1.00 0.00 C ATOM 422 O SER A 32 3.022 15.372 3.880 1.00 0.00 O ATOM 423 CB SER A 32 1.844 13.153 6.197 1.00 0.00 C ATOM 424 OG SER A 32 0.598 13.577 6.742 1.00 0.00 O ATOM 0 H SER A 32 2.085 11.311 4.541 1.00 0.00 H new ATOM 0 HA SER A 32 1.025 13.935 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.986 12.092 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.656 13.685 6.693 1.00 0.00 H new ATOM 0 HG SER A 32 0.587 13.403 7.706 1.00 0.00 H new ATOM 430 N ALA A 33 4.317 13.664 4.603 1.00 0.00 N ATOM 431 CA ALA A 33 5.568 14.352 4.331 1.00 0.00 C ATOM 432 C ALA A 33 6.000 14.065 2.892 1.00 0.00 C ATOM 433 O ALA A 33 7.167 13.770 2.637 1.00 0.00 O ATOM 434 CB ALA A 33 6.621 13.919 5.353 1.00 0.00 C ATOM 0 H ALA A 33 4.421 12.727 4.993 1.00 0.00 H new ATOM 0 HA ALA A 33 5.442 15.430 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.559 14.435 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.279 14.171 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.776 12.842 5.282 1.00 0.00 H new ATOM 440 N MET A 34 5.036 14.161 1.988 1.00 0.00 N ATOM 441 CA MET A 34 5.302 13.915 0.581 1.00 0.00 C ATOM 442 C MET A 34 5.451 15.230 -0.187 1.00 0.00 C ATOM 443 O MET A 34 5.244 15.272 -1.399 1.00 0.00 O ATOM 444 CB MET A 34 4.157 13.099 -0.021 1.00 0.00 C ATOM 445 CG MET A 34 4.690 12.012 -0.956 1.00 0.00 C ATOM 446 SD MET A 34 3.332 11.088 -1.656 1.00 0.00 S ATOM 447 CE MET A 34 4.230 9.751 -2.424 1.00 0.00 C ATOM 0 H MET A 34 4.069 14.406 2.203 1.00 0.00 H new ATOM 0 HA MET A 34 6.237 13.360 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.572 12.642 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.485 13.759 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.282 12.464 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.352 11.342 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.595 9.263 -3.163 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.120 10.145 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.524 9.027 -1.664 1.00 0.00 H new ATOM 457 N GLY A 35 5.808 16.271 0.550 1.00 0.00 N ATOM 458 CA GLY A 35 5.987 17.584 -0.046 1.00 0.00 C ATOM 459 C GLY A 35 4.834 18.518 0.328 1.00 0.00 C ATOM 460 O GLY A 35 4.248 19.165 -0.539 1.00 0.00 O ATOM 0 H GLY A 35 5.978 16.232 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.931 18.014 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.047 17.490 -1.130 1.00 0.00 H new ATOM 464 N PHE A 36 4.542 18.558 1.620 1.00 0.00 N ATOM 465 CA PHE A 36 3.469 19.401 2.119 1.00 0.00 C ATOM 466 C PHE A 36 3.511 19.495 3.645 1.00 0.00 C ATOM 467 O PHE A 36 3.295 20.566 4.211 1.00 0.00 O ATOM 468 CB PHE A 36 2.152 18.747 1.696 1.00 0.00 C ATOM 469 CG PHE A 36 1.292 19.617 0.778 1.00 0.00 C ATOM 470 CD1 PHE A 36 0.957 20.880 1.155 1.00 0.00 C ATOM 471 CD2 PHE A 36 0.861 19.127 -0.416 1.00 0.00 C ATOM 472 CE1 PHE A 36 0.159 21.688 0.302 1.00 0.00 C ATOM 473 CE2 PHE A 36 0.063 19.935 -1.268 1.00 0.00 C ATOM 474 CZ PHE A 36 -0.272 21.198 -0.891 1.00 0.00 C ATOM 0 H PHE A 36 5.030 18.020 2.336 1.00 0.00 H new ATOM 0 HA PHE A 36 3.570 20.409 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.371 17.808 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.577 18.500 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.298 21.269 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.126 18.124 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.105 22.692 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.278 19.546 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.880 21.812 -1.539 1.00 0.00 H new ATOM 484 N THR A 37 3.790 18.360 4.269 1.00 0.00 N ATOM 485 CA THR A 37 3.862 18.302 5.719 1.00 0.00 C ATOM 486 C THR A 37 2.509 18.661 6.336 1.00 0.00 C ATOM 487 O THR A 37 1.686 19.316 5.698 1.00 0.00 O ATOM 488 CB THR A 37 5.000 19.218 6.173 1.00 0.00 C ATOM 489 OG1 THR A 37 6.128 18.765 5.430 1.00 0.00 O ATOM 490 CG2 THR A 37 5.395 18.983 7.632 1.00 0.00 C ATOM 0 H THR A 37 3.969 17.474 3.797 1.00 0.00 H new ATOM 0 HA THR A 37 4.082 17.292 6.064 1.00 0.00 H new ATOM 0 HB THR A 37 4.703 20.258 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.911 19.306 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.206 19.659 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.536 19.171 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.724 17.952 7.758 1.00 0.00 H new ATOM 498 N SER A 38 2.321 18.217 7.570 1.00 0.00 N ATOM 499 CA SER A 38 1.082 18.484 8.280 1.00 0.00 C ATOM 500 C SER A 38 1.272 19.658 9.242 1.00 0.00 C ATOM 501 O SER A 38 0.693 20.725 9.047 1.00 0.00 O ATOM 502 CB SER A 38 0.606 17.245 9.042 1.00 0.00 C ATOM 503 OG SER A 38 -0.292 16.455 8.269 1.00 0.00 O ATOM 0 H SER A 38 3.006 17.674 8.096 1.00 0.00 H new ATOM 0 HA SER A 38 0.317 18.743 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.468 16.641 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.115 17.554 9.965 1.00 0.00 H new ATOM 0 HG SER A 38 -0.571 15.673 8.790 1.00 0.00 H new ATOM 509 N VAL A 39 2.086 19.422 10.260 1.00 0.00 N ATOM 510 CA VAL A 39 2.361 20.447 11.253 1.00 0.00 C ATOM 511 C VAL A 39 1.053 20.852 11.936 1.00 0.00 C ATOM 512 O VAL A 39 -0.031 20.564 11.430 1.00 0.00 O ATOM 513 CB VAL A 39 3.084 21.627 10.601 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.275 22.917 10.750 1.00 0.00 C ATOM 515 CG2 VAL A 39 4.492 21.792 11.177 1.00 0.00 C ATOM 0 H VAL A 39 2.564 18.535 10.419 1.00 0.00 H new ATOM 0 HA VAL A 39 3.027 20.062 12.025 1.00 0.00 H new ATOM 0 HB VAL A 39 3.180 21.414 9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.812 23.740 10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.304 22.795 10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.132 23.137 11.808 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.985 22.637 10.697 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.427 21.971 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.068 20.885 10.995 1.00 0.00 H new ATOM 525 N GLY A 40 1.198 21.513 13.075 1.00 0.00 N ATOM 526 CA GLY A 40 0.041 21.960 13.833 1.00 0.00 C ATOM 527 C GLY A 40 -1.066 22.457 12.901 1.00 0.00 C ATOM 528 O GLY A 40 -2.231 22.098 13.069 1.00 0.00 O ATOM 0 H GLY A 40 2.098 21.750 13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.335 21.141 14.446 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.334 22.759 14.514 1.00 0.00 H new ATOM 532 N ILE A 41 -0.664 23.275 11.940 1.00 0.00 N ATOM 533 CA ILE A 41 -1.607 23.825 10.982 1.00 0.00 C ATOM 534 C ILE A 41 -2.532 22.712 10.486 1.00 0.00 C ATOM 535 O ILE A 41 -3.752 22.818 10.597 1.00 0.00 O ATOM 536 CB ILE A 41 -0.867 24.555 9.859 1.00 0.00 C ATOM 537 CG1 ILE A 41 -0.050 25.725 10.411 1.00 0.00 C ATOM 538 CG2 ILE A 41 -1.836 25.000 8.762 1.00 0.00 C ATOM 539 CD1 ILE A 41 1.177 25.997 9.537 1.00 0.00 C ATOM 0 H ILE A 41 0.303 23.570 11.804 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.238 24.576 11.458 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.164 23.857 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.673 26.618 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.267 25.503 11.430 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.284 25.516 7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.335 24.127 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.580 25.674 9.186 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.741 26.833 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.810 25.110 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.856 26.242 8.525 1.00 0.00 H new ATOM 551 N ALA A 42 -1.915 21.668 9.951 1.00 0.00 N ATOM 552 CA ALA A 42 -2.668 20.536 9.438 1.00 0.00 C ATOM 553 C ALA A 42 -3.502 19.930 10.568 1.00 0.00 C ATOM 554 O ALA A 42 -4.614 19.456 10.338 1.00 0.00 O ATOM 555 CB ALA A 42 -1.705 19.523 8.816 1.00 0.00 C ATOM 0 H ALA A 42 -0.903 21.583 9.862 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.356 20.855 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.269 18.674 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.158 19.995 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.001 19.178 9.573 1.00 0.00 H new ATOM 561 N ALA A 43 -2.934 19.966 11.765 1.00 0.00 N ATOM 562 CA ALA A 43 -3.612 19.426 12.931 1.00 0.00 C ATOM 563 C ALA A 43 -4.888 20.230 13.192 1.00 0.00 C ATOM 564 O ALA A 43 -5.865 19.698 13.717 1.00 0.00 O ATOM 565 CB ALA A 43 -2.659 19.440 14.128 1.00 0.00 C ATOM 0 H ALA A 43 -2.012 20.361 11.952 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.904 18.390 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.168 19.035 15.003 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.783 18.831 13.903 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.346 20.464 14.332 1.00 0.00 H new ATOM 571 N SER A 44 -4.837 21.499 12.813 1.00 0.00 N ATOM 572 CA SER A 44 -5.976 22.381 12.999 1.00 0.00 C ATOM 573 C SER A 44 -7.049 22.080 11.950 1.00 0.00 C ATOM 574 O SER A 44 -8.209 21.855 12.291 1.00 0.00 O ATOM 575 CB SER A 44 -5.554 23.850 12.920 1.00 0.00 C ATOM 576 OG SER A 44 -6.290 24.667 13.826 1.00 0.00 O ATOM 0 H SER A 44 -4.025 21.937 12.378 1.00 0.00 H new ATOM 0 HA SER A 44 -6.388 22.202 13.992 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.490 23.934 13.139 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.699 24.215 11.903 1.00 0.00 H new ATOM 0 HG SER A 44 -5.990 25.596 13.746 1.00 0.00 H new ATOM 582 N SER A 45 -6.623 22.086 10.696 1.00 0.00 N ATOM 583 CA SER A 45 -7.532 21.816 9.595 1.00 0.00 C ATOM 584 C SER A 45 -8.278 20.503 9.843 1.00 0.00 C ATOM 585 O SER A 45 -9.463 20.390 9.531 1.00 0.00 O ATOM 586 CB SER A 45 -6.782 21.757 8.263 1.00 0.00 C ATOM 587 OG SER A 45 -6.435 23.054 7.787 1.00 0.00 O ATOM 0 H SER A 45 -5.660 22.274 10.417 1.00 0.00 H new ATOM 0 HA SER A 45 -8.253 22.632 9.539 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.877 21.161 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.401 21.252 7.521 1.00 0.00 H new ATOM 0 HG SER A 45 -5.956 22.973 6.936 1.00 0.00 H new ATOM 593 N ILE A 46 -7.555 19.544 10.402 1.00 0.00 N ATOM 594 CA ILE A 46 -8.134 18.244 10.695 1.00 0.00 C ATOM 595 C ILE A 46 -9.131 18.383 11.847 1.00 0.00 C ATOM 596 O ILE A 46 -10.286 17.979 11.725 1.00 0.00 O ATOM 597 CB ILE A 46 -7.033 17.214 10.955 1.00 0.00 C ATOM 598 CG1 ILE A 46 -6.231 16.935 9.682 1.00 0.00 C ATOM 599 CG2 ILE A 46 -7.612 15.933 11.559 1.00 0.00 C ATOM 600 CD1 ILE A 46 -7.126 16.353 8.586 1.00 0.00 C ATOM 0 H ILE A 46 -6.573 19.641 10.660 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.690 17.872 9.835 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.341 17.631 11.687 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.771 17.858 9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.422 16.239 9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.808 15.218 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.103 16.166 12.504 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.338 15.502 10.870 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.531 16.164 7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.566 15.418 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.920 17.062 8.350 1.00 0.00 H new ATOM 612 N ALA A 47 -8.647 18.955 12.940 1.00 0.00 N ATOM 613 CA ALA A 47 -9.482 19.152 14.113 1.00 0.00 C ATOM 614 C ALA A 47 -10.827 19.742 13.684 1.00 0.00 C ATOM 615 O ALA A 47 -11.881 19.235 14.065 1.00 0.00 O ATOM 616 CB ALA A 47 -8.748 20.043 15.118 1.00 0.00 C ATOM 0 H ALA A 47 -7.688 19.288 13.038 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.682 18.201 14.606 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.374 20.191 15.998 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.814 19.565 15.413 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.533 21.008 14.659 1.00 0.00 H new ATOM 622 N ALA A 48 -10.746 20.804 12.897 1.00 0.00 N ATOM 623 CA ALA A 48 -11.944 21.469 12.412 1.00 0.00 C ATOM 624 C ALA A 48 -12.988 20.416 12.033 1.00 0.00 C ATOM 625 O ALA A 48 -14.022 20.298 12.688 1.00 0.00 O ATOM 626 CB ALA A 48 -11.583 22.380 11.237 1.00 0.00 C ATOM 0 H ALA A 48 -9.870 21.221 12.583 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.376 22.097 13.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.482 22.878 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.861 23.128 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.149 21.784 10.434 1.00 0.00 H new ATOM 632 N LYS A 49 -12.681 19.678 10.976 1.00 0.00 N ATOM 633 CA LYS A 49 -13.580 18.639 10.502 1.00 0.00 C ATOM 634 C LYS A 49 -12.961 17.954 9.282 1.00 0.00 C ATOM 635 O LYS A 49 -11.855 18.296 8.868 1.00 0.00 O ATOM 636 CB LYS A 49 -14.974 19.214 10.244 1.00 0.00 C ATOM 637 CG LYS A 49 -16.049 18.377 10.940 1.00 0.00 C ATOM 638 CD LYS A 49 -17.279 18.211 10.045 1.00 0.00 C ATOM 639 CE LYS A 49 -18.480 18.965 10.618 1.00 0.00 C ATOM 640 NZ LYS A 49 -19.339 19.479 9.527 1.00 0.00 N ATOM 0 H LYS A 49 -11.822 19.779 10.435 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.713 17.872 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.019 20.242 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.167 19.242 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.644 17.397 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.338 18.855 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.057 18.581 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.522 17.153 9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.058 18.303 11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.135 19.793 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.149 19.988 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.789 20.127 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.683 18.684 8.952 1.00 0.00 H new ATOM 823 N ALA A 64 -10.813 9.932 -4.742 1.00 0.00 N ATOM 824 CA ALA A 64 -11.154 10.867 -5.801 1.00 0.00 C ATOM 825 C ALA A 64 -10.362 12.162 -5.605 1.00 0.00 C ATOM 826 O ALA A 64 -10.523 12.846 -4.596 1.00 0.00 O ATOM 827 CB ALA A 64 -12.665 11.103 -5.806 1.00 0.00 C ATOM 0 HA ALA A 64 -10.885 10.459 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.921 11.804 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.180 10.158 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.972 11.515 -4.845 1.00 0.00 H new ATOM 833 N GLY A 65 -9.525 12.459 -6.588 1.00 0.00 N ATOM 834 CA GLY A 65 -8.708 13.660 -6.537 1.00 0.00 C ATOM 835 C GLY A 65 -7.240 13.337 -6.823 1.00 0.00 C ATOM 836 O GLY A 65 -6.932 12.306 -7.420 1.00 0.00 O ATOM 0 H GLY A 65 -9.395 11.889 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.073 14.384 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.797 14.124 -5.555 1.00 0.00 H new ATOM 840 N SER A 66 -6.373 14.237 -6.384 1.00 0.00 N ATOM 841 CA SER A 66 -4.944 14.061 -6.586 1.00 0.00 C ATOM 842 C SER A 66 -4.511 12.682 -6.085 1.00 0.00 C ATOM 843 O SER A 66 -3.620 12.060 -6.661 1.00 0.00 O ATOM 844 CB SER A 66 -4.148 15.158 -5.876 1.00 0.00 C ATOM 845 OG SER A 66 -3.247 15.821 -6.759 1.00 0.00 O ATOM 0 H SER A 66 -6.632 15.091 -5.889 1.00 0.00 H new ATOM 0 HA SER A 66 -4.738 14.134 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.837 15.886 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.589 14.722 -5.048 1.00 0.00 H new ATOM 0 HG SER A 66 -2.759 16.515 -6.268 1.00 0.00 H new ATOM 851 N LEU A 67 -5.162 12.244 -5.017 1.00 0.00 N ATOM 852 CA LEU A 67 -4.856 10.950 -4.432 1.00 0.00 C ATOM 853 C LEU A 67 -4.839 9.888 -5.534 1.00 0.00 C ATOM 854 O LEU A 67 -4.053 8.944 -5.479 1.00 0.00 O ATOM 855 CB LEU A 67 -5.823 10.636 -3.290 1.00 0.00 C ATOM 856 CG LEU A 67 -5.192 10.088 -2.008 1.00 0.00 C ATOM 857 CD1 LEU A 67 -5.438 11.032 -0.829 1.00 0.00 C ATOM 858 CD2 LEU A 67 -5.684 8.669 -1.718 1.00 0.00 C ATOM 0 H LEU A 67 -5.900 12.763 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.863 10.960 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.369 11.546 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.555 9.913 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.114 10.031 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.979 10.619 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.000 12.006 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.511 11.144 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.220 8.303 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.767 8.677 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.415 8.014 -2.547 1.00 0.00 H new ATOM 870 N VAL A 68 -5.716 10.079 -6.508 1.00 0.00 N ATOM 871 CA VAL A 68 -5.813 9.149 -7.621 1.00 0.00 C ATOM 872 C VAL A 68 -4.414 8.886 -8.182 1.00 0.00 C ATOM 873 O VAL A 68 -4.028 7.735 -8.381 1.00 0.00 O ATOM 874 CB VAL A 68 -6.786 9.689 -8.671 1.00 0.00 C ATOM 875 CG1 VAL A 68 -6.691 8.886 -9.970 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.219 9.699 -8.136 1.00 0.00 C ATOM 0 H VAL A 68 -6.366 10.864 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.215 8.193 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.504 10.718 -8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.393 9.290 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.678 8.953 -10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.935 7.842 -9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.891 10.087 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.516 8.684 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.273 10.333 -7.251 1.00 0.00 H new ATOM 886 N ALA A 69 -3.693 9.971 -8.421 1.00 0.00 N ATOM 887 CA ALA A 69 -2.345 9.872 -8.955 1.00 0.00 C ATOM 888 C ALA A 69 -1.451 9.154 -7.942 1.00 0.00 C ATOM 889 O ALA A 69 -0.532 8.430 -8.322 1.00 0.00 O ATOM 890 CB ALA A 69 -1.829 11.269 -9.302 1.00 0.00 C ATOM 0 H ALA A 69 -4.017 10.924 -8.255 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.338 9.285 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.818 11.194 -9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.482 11.723 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.819 11.887 -8.404 1.00 0.00 H new ATOM 896 N ILE A 70 -1.752 9.380 -6.671 1.00 0.00 N ATOM 897 CA ILE A 70 -0.987 8.765 -5.600 1.00 0.00 C ATOM 898 C ILE A 70 -1.167 7.246 -5.658 1.00 0.00 C ATOM 899 O ILE A 70 -0.213 6.514 -5.917 1.00 0.00 O ATOM 900 CB ILE A 70 -1.365 9.378 -4.251 1.00 0.00 C ATOM 901 CG1 ILE A 70 -1.241 10.902 -4.287 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.541 8.762 -3.118 1.00 0.00 C ATOM 903 CD1 ILE A 70 -1.733 11.524 -2.978 1.00 0.00 C ATOM 0 H ILE A 70 -2.515 9.981 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 70 0.077 8.966 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.411 9.145 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.202 11.182 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.820 11.298 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.830 9.216 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.724 7.688 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.519 8.943 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.634 12.608 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.780 11.263 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.137 11.145 -2.148 1.00 0.00 H new ATOM 915 N LEU A 71 -2.397 6.819 -5.414 1.00 0.00 N ATOM 916 CA LEU A 71 -2.714 5.401 -5.435 1.00 0.00 C ATOM 917 C LEU A 71 -2.161 4.778 -6.719 1.00 0.00 C ATOM 918 O LEU A 71 -1.724 3.628 -6.716 1.00 0.00 O ATOM 919 CB LEU A 71 -4.217 5.185 -5.244 1.00 0.00 C ATOM 920 CG LEU A 71 -4.619 4.212 -4.134 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.975 4.963 -2.850 1.00 0.00 C ATOM 922 CD2 LEU A 71 -5.754 3.294 -4.595 1.00 0.00 C ATOM 0 H LEU A 71 -3.186 7.430 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.234 4.891 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.679 6.150 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.635 4.825 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.762 3.577 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.257 4.248 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.113 5.539 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.809 5.638 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.021 2.612 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.622 3.896 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.428 2.720 -5.462 1.00 0.00 H new ATOM 934 N GLN A 72 -2.199 5.565 -7.784 1.00 0.00 N ATOM 935 CA GLN A 72 -1.707 5.105 -9.072 1.00 0.00 C ATOM 936 C GLN A 72 -0.242 4.681 -8.959 1.00 0.00 C ATOM 937 O GLN A 72 0.079 3.501 -9.098 1.00 0.00 O ATOM 938 CB GLN A 72 -1.886 6.182 -10.143 1.00 0.00 C ATOM 939 CG GLN A 72 -2.809 5.695 -11.262 1.00 0.00 C ATOM 940 CD GLN A 72 -3.563 6.865 -11.899 1.00 0.00 C ATOM 941 OE1 GLN A 72 -2.986 7.857 -12.312 1.00 0.00 O ATOM 942 NE2 GLN A 72 -4.880 6.693 -11.955 1.00 0.00 N ATOM 0 H GLN A 72 -2.563 6.518 -7.782 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.293 4.238 -9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.300 7.083 -9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.915 6.451 -10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.223 5.178 -12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.521 4.973 -10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.299 5.837 -11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.472 7.417 -12.363 1.00 0.00 H new ATOM 951 N SER A 73 0.609 5.666 -8.710 1.00 0.00 N ATOM 952 CA SER A 73 2.033 5.409 -8.578 1.00 0.00 C ATOM 953 C SER A 73 2.303 4.600 -7.308 1.00 0.00 C ATOM 954 O SER A 73 2.696 3.436 -7.380 1.00 0.00 O ATOM 955 CB SER A 73 2.828 6.716 -8.553 1.00 0.00 C ATOM 956 OG SER A 73 3.836 6.746 -9.560 1.00 0.00 O ATOM 0 H SER A 73 0.340 6.643 -8.596 1.00 0.00 H new ATOM 0 HA SER A 73 2.359 4.833 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.149 7.557 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.290 6.841 -7.574 1.00 0.00 H new ATOM 0 HG SER A 73 4.320 7.597 -9.513 1.00 0.00 H new ATOM 962 N VAL A 74 2.081 5.247 -6.173 1.00 0.00 N ATOM 963 CA VAL A 74 2.296 4.602 -4.889 1.00 0.00 C ATOM 964 C VAL A 74 1.822 3.150 -4.967 1.00 0.00 C ATOM 965 O VAL A 74 2.575 2.229 -4.655 1.00 0.00 O ATOM 966 CB VAL A 74 1.603 5.398 -3.781 1.00 0.00 C ATOM 967 CG1 VAL A 74 1.570 4.604 -2.474 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.276 6.757 -3.580 1.00 0.00 C ATOM 0 H VAL A 74 1.754 6.212 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 74 3.358 4.585 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 74 0.573 5.576 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.072 5.192 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.025 3.673 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.589 4.380 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.764 7.303 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.320 6.609 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.224 7.329 -4.506 1.00 0.00 H new ATOM 978 N GLY A 75 0.575 2.989 -5.386 1.00 0.00 N ATOM 979 CA GLY A 75 -0.009 1.664 -5.509 1.00 0.00 C ATOM 980 C GLY A 75 0.750 0.825 -6.539 1.00 0.00 C ATOM 981 O GLY A 75 0.973 -0.367 -6.331 1.00 0.00 O ATOM 0 H GLY A 75 -0.047 3.755 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.010 1.163 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.055 1.749 -5.803 1.00 0.00 H new ATOM 985 N ALA A 76 1.126 1.479 -7.628 1.00 0.00 N ATOM 986 CA ALA A 76 1.855 0.808 -8.691 1.00 0.00 C ATOM 987 C ALA A 76 3.183 0.284 -8.140 1.00 0.00 C ATOM 988 O ALA A 76 3.318 -0.908 -7.865 1.00 0.00 O ATOM 989 CB ALA A 76 2.050 1.771 -9.864 1.00 0.00 C ATOM 0 H ALA A 76 0.939 2.467 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 76 1.291 -0.048 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.597 1.267 -10.661 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.077 2.091 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.615 2.641 -9.530 1.00 0.00 H new ATOM 995 N ALA A 77 4.130 1.199 -7.996 1.00 0.00 N ATOM 996 CA ALA A 77 5.442 0.844 -7.483 1.00 0.00 C ATOM 997 C ALA A 77 5.279 0.011 -6.210 1.00 0.00 C ATOM 998 O ALA A 77 5.730 -1.132 -6.150 1.00 0.00 O ATOM 999 CB ALA A 77 6.259 2.116 -7.247 1.00 0.00 C ATOM 0 H ALA A 77 4.015 2.186 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 77 5.986 0.237 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.243 1.850 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.371 2.656 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.746 2.749 -6.523 1.00 0.00 H new ATOM 1005 N GLY A 78 4.633 0.616 -5.224 1.00 0.00 N ATOM 1006 CA GLY A 78 4.405 -0.056 -3.956 1.00 0.00 C ATOM 1007 C GLY A 78 4.092 -1.538 -4.169 1.00 0.00 C ATOM 1008 O GLY A 78 4.912 -2.401 -3.859 1.00 0.00 O ATOM 0 H GLY A 78 4.260 1.564 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.286 0.046 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.578 0.422 -3.431 1.00 0.00 H new ATOM 1012 N LEU A 79 2.903 -1.789 -4.698 1.00 0.00 N ATOM 1013 CA LEU A 79 2.471 -3.152 -4.956 1.00 0.00 C ATOM 1014 C LEU A 79 3.558 -3.886 -5.743 1.00 0.00 C ATOM 1015 O LEU A 79 3.723 -5.097 -5.600 1.00 0.00 O ATOM 1016 CB LEU A 79 1.104 -3.160 -5.643 1.00 0.00 C ATOM 1017 CG LEU A 79 0.229 -4.387 -5.381 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -1.254 -4.011 -5.368 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.529 -5.499 -6.388 1.00 0.00 C ATOM 0 H LEU A 79 2.225 -1.071 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 79 2.335 -3.692 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.555 -2.273 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.259 -3.072 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 79 0.472 -4.774 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.854 -4.902 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.437 -3.278 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.530 -3.585 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.106 -6.360 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.332 -5.138 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.576 -5.792 -6.305 1.00 0.00 H new ATOM 1031 N SER A 80 4.272 -3.123 -6.557 1.00 0.00 N ATOM 1032 CA SER A 80 5.339 -3.686 -7.367 1.00 0.00 C ATOM 1033 C SER A 80 6.427 -4.274 -6.465 1.00 0.00 C ATOM 1034 O SER A 80 6.510 -5.490 -6.299 1.00 0.00 O ATOM 1035 CB SER A 80 5.937 -2.632 -8.301 1.00 0.00 C ATOM 1036 OG SER A 80 5.971 -3.075 -9.655 1.00 0.00 O ATOM 0 H SER A 80 4.133 -2.119 -6.673 1.00 0.00 H new ATOM 0 HA SER A 80 4.917 -4.481 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.352 -1.715 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.948 -2.389 -7.974 1.00 0.00 H new ATOM 0 HG SER A 80 6.358 -2.373 -10.219 1.00 0.00 H new ATOM 1042 N VAL A 81 7.232 -3.383 -5.906 1.00 0.00 N ATOM 1043 CA VAL A 81 8.311 -3.798 -5.025 1.00 0.00 C ATOM 1044 C VAL A 81 7.758 -4.752 -3.964 1.00 0.00 C ATOM 1045 O VAL A 81 8.487 -5.595 -3.442 1.00 0.00 O ATOM 1046 CB VAL A 81 8.999 -2.570 -4.425 1.00 0.00 C ATOM 1047 CG1 VAL A 81 8.088 -1.870 -3.415 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.337 -2.948 -3.787 1.00 0.00 C ATOM 0 H VAL A 81 7.159 -2.375 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 81 9.074 -4.340 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 81 9.201 -1.870 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.601 -1.001 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.172 -1.549 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.840 -2.560 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.805 -2.057 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.169 -3.677 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.992 -3.380 -4.544 1.00 0.00 H new ATOM 1058 N THR A 82 6.476 -4.587 -3.676 1.00 0.00 N ATOM 1059 CA THR A 82 5.817 -5.422 -2.687 1.00 0.00 C ATOM 1060 C THR A 82 5.856 -6.890 -3.117 1.00 0.00 C ATOM 1061 O THR A 82 6.713 -7.650 -2.669 1.00 0.00 O ATOM 1062 CB THR A 82 4.398 -4.886 -2.484 1.00 0.00 C ATOM 1063 OG1 THR A 82 4.591 -3.635 -1.829 1.00 0.00 O ATOM 1064 CG2 THR A 82 3.598 -5.714 -1.477 1.00 0.00 C ATOM 0 H THR A 82 5.875 -3.887 -4.111 1.00 0.00 H new ATOM 0 HA THR A 82 6.335 -5.382 -1.729 1.00 0.00 H new ATOM 0 HB THR A 82 3.874 -4.873 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.997 -2.998 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.599 -5.291 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.521 -6.742 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.103 -5.700 -0.511 1.00 0.00 H new ATOM 1072 N SER A 83 4.917 -7.245 -3.982 1.00 0.00 N ATOM 1073 CA SER A 83 4.834 -8.608 -4.478 1.00 0.00 C ATOM 1074 C SER A 83 6.226 -9.112 -4.863 1.00 0.00 C ATOM 1075 O SER A 83 6.621 -10.211 -4.477 1.00 0.00 O ATOM 1076 CB SER A 83 3.886 -8.701 -5.676 1.00 0.00 C ATOM 1077 OG SER A 83 2.702 -9.430 -5.365 1.00 0.00 O ATOM 0 H SER A 83 4.207 -6.612 -4.352 1.00 0.00 H new ATOM 0 HA SER A 83 4.435 -9.237 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.618 -7.697 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.400 -9.182 -6.508 1.00 0.00 H new ATOM 0 HG SER A 83 2.123 -9.465 -6.155 1.00 0.00 H new ATOM 1083 N LYS A 84 6.933 -8.283 -5.618 1.00 0.00 N ATOM 1084 CA LYS A 84 8.273 -8.631 -6.059 1.00 0.00 C ATOM 1085 C LYS A 84 9.106 -9.064 -4.851 1.00 0.00 C ATOM 1086 O LYS A 84 9.706 -10.137 -4.859 1.00 0.00 O ATOM 1087 CB LYS A 84 8.892 -7.477 -6.851 1.00 0.00 C ATOM 1088 CG LYS A 84 8.722 -7.693 -8.356 1.00 0.00 C ATOM 1089 CD LYS A 84 7.549 -6.875 -8.899 1.00 0.00 C ATOM 1090 CE LYS A 84 6.954 -7.530 -10.146 1.00 0.00 C ATOM 1091 NZ LYS A 84 5.482 -7.377 -10.160 1.00 0.00 N ATOM 0 H LYS A 84 6.603 -7.372 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 84 8.241 -9.478 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.422 -6.538 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.951 -7.392 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.638 -7.409 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.557 -8.751 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.781 -6.781 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.885 -5.866 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.381 -7.077 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.216 -8.588 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.094 -7.827 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.078 -7.830 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.238 -6.366 -10.161 1.00 0.00 H new ATOM 1105 N VAL A 85 9.115 -8.207 -3.841 1.00 0.00 N ATOM 1106 CA VAL A 85 9.865 -8.488 -2.628 1.00 0.00 C ATOM 1107 C VAL A 85 9.371 -9.802 -2.021 1.00 0.00 C ATOM 1108 O VAL A 85 10.133 -10.514 -1.369 1.00 0.00 O ATOM 1109 CB VAL A 85 9.759 -7.306 -1.662 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.026 -7.749 -0.222 1.00 0.00 C ATOM 1111 CG2 VAL A 85 10.704 -6.175 -2.072 1.00 0.00 C ATOM 0 H VAL A 85 8.615 -7.318 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 85 10.924 -8.612 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 85 8.739 -6.924 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.944 -6.890 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.295 -8.504 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.029 -8.169 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.608 -5.348 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.731 -6.539 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.447 -5.831 -3.074 1.00 0.00 H new ATOM 1121 N ILE A 86 8.098 -10.085 -2.257 1.00 0.00 N ATOM 1122 CA ILE A 86 7.494 -11.301 -1.742 1.00 0.00 C ATOM 1123 C ILE A 86 7.863 -12.474 -2.653 1.00 0.00 C ATOM 1124 O ILE A 86 8.745 -13.266 -2.324 1.00 0.00 O ATOM 1125 CB ILE A 86 5.986 -11.115 -1.560 1.00 0.00 C ATOM 1126 CG1 ILE A 86 5.688 -9.992 -0.565 1.00 0.00 C ATOM 1127 CG2 ILE A 86 5.315 -12.430 -1.158 1.00 0.00 C ATOM 1128 CD1 ILE A 86 4.223 -9.560 -0.647 1.00 0.00 C ATOM 0 H ILE A 86 7.469 -9.492 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 86 7.886 -11.531 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 86 5.561 -10.817 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.915 -10.328 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.334 -9.139 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.244 -12.269 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.483 -13.177 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.739 -12.782 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.039 -8.761 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.005 -9.202 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.580 -10.409 -0.417 1.00 0.00 H new ATOM 1140 N GLY A 87 7.168 -12.549 -3.779 1.00 0.00 N ATOM 1141 CA GLY A 87 7.412 -13.612 -4.739 1.00 0.00 C ATOM 1142 C GLY A 87 6.100 -14.260 -5.185 1.00 0.00 C ATOM 1143 O GLY A 87 5.557 -15.115 -4.488 1.00 0.00 O ATOM 0 H GLY A 87 6.436 -11.891 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.937 -13.210 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.062 -14.366 -4.295 1.00 0.00 H new ATOM 1147 N GLY A 88 5.628 -13.826 -6.345 1.00 0.00 N ATOM 1148 CA GLY A 88 4.389 -14.353 -6.892 1.00 0.00 C ATOM 1149 C GLY A 88 4.293 -15.865 -6.676 1.00 0.00 C ATOM 1150 O GLY A 88 4.884 -16.641 -7.424 1.00 0.00 O ATOM 0 H GLY A 88 6.081 -13.116 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.540 -13.860 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.334 -14.130 -7.958 1.00 0.00 H new ATOM 1154 N PHE A 89 3.544 -16.236 -5.648 1.00 0.00 N ATOM 1155 CA PHE A 89 3.362 -17.641 -5.324 1.00 0.00 C ATOM 1156 C PHE A 89 4.695 -18.391 -5.373 1.00 0.00 C ATOM 1157 O PHE A 89 5.071 -18.928 -6.414 1.00 0.00 O ATOM 1158 CB PHE A 89 2.422 -18.226 -6.380 1.00 0.00 C ATOM 1159 CG PHE A 89 0.942 -17.934 -6.125 1.00 0.00 C ATOM 1160 CD1 PHE A 89 0.208 -18.771 -5.344 1.00 0.00 C ATOM 1161 CD2 PHE A 89 0.360 -16.837 -6.680 1.00 0.00 C ATOM 1162 CE1 PHE A 89 -1.166 -18.500 -5.108 1.00 0.00 C ATOM 1163 CE2 PHE A 89 -1.013 -16.565 -6.444 1.00 0.00 C ATOM 1164 CZ PHE A 89 -1.747 -17.402 -5.663 1.00 0.00 C ATOM 0 H PHE A 89 3.056 -15.589 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 89 2.955 -17.741 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.697 -17.829 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.567 -19.305 -6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.670 -19.642 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.943 -16.173 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.749 -19.165 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.475 -15.694 -6.885 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.792 -17.195 -5.483 1.00 0.00 H new ATOM 1174 N ALA A 90 5.372 -18.405 -4.234 1.00 0.00 N ATOM 1175 CA ALA A 90 6.654 -19.080 -4.134 1.00 0.00 C ATOM 1176 C ALA A 90 6.820 -19.645 -2.722 1.00 0.00 C ATOM 1177 O ALA A 90 7.118 -18.906 -1.785 1.00 0.00 O ATOM 1178 CB ALA A 90 7.775 -18.108 -4.508 1.00 0.00 C ATOM 0 H ALA A 90 5.056 -17.959 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 90 6.702 -19.916 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.737 -18.615 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.628 -17.759 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.760 -17.256 -3.828 1.00 0.00 H new ATOM 1184 N GLY A 91 6.619 -20.950 -2.614 1.00 0.00 N ATOM 1185 CA GLY A 91 6.741 -21.623 -1.331 1.00 0.00 C ATOM 1186 C GLY A 91 6.183 -20.755 -0.202 1.00 0.00 C ATOM 1187 O GLY A 91 4.974 -20.728 0.026 1.00 0.00 O ATOM 0 H GLY A 91 6.372 -21.560 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.207 -22.573 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.788 -21.852 -1.135 1.00 0.00 H new ATOM 1191 N THR A 92 7.090 -20.067 0.476 1.00 0.00 N ATOM 1192 CA THR A 92 6.703 -19.200 1.577 1.00 0.00 C ATOM 1193 C THR A 92 6.800 -17.732 1.159 1.00 0.00 C ATOM 1194 O THR A 92 5.791 -17.105 0.841 1.00 0.00 O ATOM 1195 CB THR A 92 7.578 -19.549 2.783 1.00 0.00 C ATOM 1196 OG1 THR A 92 7.189 -20.877 3.122 1.00 0.00 O ATOM 1197 CG2 THR A 92 7.219 -18.728 4.023 1.00 0.00 C ATOM 0 H THR A 92 8.092 -20.092 0.285 1.00 0.00 H new ATOM 0 HA THR A 92 5.661 -19.357 1.857 1.00 0.00 H new ATOM 0 HB THR A 92 8.626 -19.387 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.709 -21.183 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.869 -19.014 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.351 -17.668 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.181 -18.916 4.296 1.00 0.00 H new