USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 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 80 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00305 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= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 33:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -10.717 -13.329 1.802 1.00 0.00 N ATOM 117 CA SER A 9 -10.835 -13.085 3.230 1.00 0.00 C ATOM 118 C SER A 9 -11.728 -11.868 3.481 1.00 0.00 C ATOM 119 O SER A 9 -11.836 -10.987 2.630 1.00 0.00 O ATOM 120 CB SER A 9 -9.461 -12.876 3.868 1.00 0.00 C ATOM 121 OG SER A 9 -9.112 -13.943 4.746 1.00 0.00 O ATOM 0 HA SER A 9 -11.290 -13.962 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.707 -12.789 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.457 -11.936 4.420 1.00 0.00 H new ATOM 0 HG SER A 9 -8.227 -13.773 5.132 1.00 0.00 H new ATOM 127 N GLY A 10 -12.346 -11.859 4.653 1.00 0.00 N ATOM 128 CA GLY A 10 -13.226 -10.765 5.026 1.00 0.00 C ATOM 129 C GLY A 10 -12.652 -9.978 6.206 1.00 0.00 C ATOM 130 O GLY A 10 -12.032 -8.933 6.016 1.00 0.00 O ATOM 0 H GLY A 10 -12.255 -12.592 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.366 -10.100 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.208 -11.157 5.289 1.00 0.00 H new ATOM 134 N ARG A 11 -12.879 -10.510 7.398 1.00 0.00 N ATOM 135 CA ARG A 11 -12.392 -9.871 8.608 1.00 0.00 C ATOM 136 C ARG A 11 -10.876 -10.044 8.727 1.00 0.00 C ATOM 137 O ARG A 11 -10.139 -9.061 8.785 1.00 0.00 O ATOM 138 CB ARG A 11 -13.064 -10.458 9.851 1.00 0.00 C ATOM 139 CG ARG A 11 -14.013 -9.443 10.492 1.00 0.00 C ATOM 140 CD ARG A 11 -13.734 -9.304 11.990 1.00 0.00 C ATOM 141 NE ARG A 11 -13.830 -7.883 12.393 1.00 0.00 N ATOM 142 CZ ARG A 11 -13.839 -7.458 13.674 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.758 -8.343 14.690 1.00 0.00 N ATOM 144 NH2 ARG A 11 -13.928 -6.164 13.918 1.00 0.00 N ATOM 0 H ARG A 11 -13.394 -11.377 7.551 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.637 -8.811 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.617 -11.357 9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.304 -10.757 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.898 -8.474 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.045 -9.757 10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.448 -9.901 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.741 -9.690 12.221 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.893 -7.181 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.689 -9.341 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.765 -8.013 15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.989 -5.502 13.144 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.936 -5.826 14.880 1.00 0.00 H new ATOM 158 N ALA A 12 -10.457 -11.300 8.759 1.00 0.00 N ATOM 159 CA ALA A 12 -9.043 -11.614 8.870 1.00 0.00 C ATOM 160 C ALA A 12 -8.240 -10.643 8.003 1.00 0.00 C ATOM 161 O ALA A 12 -7.096 -10.321 8.322 1.00 0.00 O ATOM 162 CB ALA A 12 -8.812 -13.075 8.476 1.00 0.00 C ATOM 0 H ALA A 12 -11.072 -12.112 8.710 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.703 -11.496 9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.751 -13.311 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.381 -13.725 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.139 -13.231 7.448 1.00 0.00 H new ATOM 168 N ALA A 13 -8.870 -10.203 6.924 1.00 0.00 N ATOM 169 CA ALA A 13 -8.228 -9.274 6.009 1.00 0.00 C ATOM 170 C ALA A 13 -7.501 -8.194 6.812 1.00 0.00 C ATOM 171 O ALA A 13 -6.287 -8.037 6.690 1.00 0.00 O ATOM 172 CB ALA A 13 -9.274 -8.689 5.058 1.00 0.00 C ATOM 0 H ALA A 13 -9.818 -10.472 6.663 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.485 -9.788 5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.793 -7.992 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.740 -9.494 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.036 -8.163 5.634 1.00 0.00 H new ATOM 178 N VAL A 14 -8.273 -7.477 7.614 1.00 0.00 N ATOM 179 CA VAL A 14 -7.718 -6.416 8.437 1.00 0.00 C ATOM 180 C VAL A 14 -6.430 -6.911 9.098 1.00 0.00 C ATOM 181 O VAL A 14 -5.426 -6.200 9.120 1.00 0.00 O ATOM 182 CB VAL A 14 -8.762 -5.936 9.447 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.148 -4.949 10.443 1.00 0.00 C ATOM 184 CG2 VAL A 14 -9.969 -5.320 8.737 1.00 0.00 C ATOM 0 H VAL A 14 -9.280 -7.610 7.712 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.458 -5.553 7.824 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.110 -6.804 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.911 -4.623 11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.336 -5.436 10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.759 -4.084 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.696 -4.987 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.644 -4.468 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.428 -6.065 8.087 1.00 0.00 H new ATOM 194 N ALA A 15 -6.499 -8.127 9.621 1.00 0.00 N ATOM 195 CA ALA A 15 -5.351 -8.725 10.281 1.00 0.00 C ATOM 196 C ALA A 15 -4.156 -8.713 9.325 1.00 0.00 C ATOM 197 O ALA A 15 -3.060 -8.304 9.702 1.00 0.00 O ATOM 198 CB ALA A 15 -5.710 -10.137 10.749 1.00 0.00 C ATOM 0 H ALA A 15 -7.333 -8.714 9.601 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.072 -8.150 11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.849 -10.586 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.545 -10.087 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.992 -10.745 9.889 1.00 0.00 H new ATOM 204 N ALA A 16 -4.409 -9.168 8.107 1.00 0.00 N ATOM 205 CA ALA A 16 -3.368 -9.215 7.094 1.00 0.00 C ATOM 206 C ALA A 16 -2.889 -7.793 6.795 1.00 0.00 C ATOM 207 O ALA A 16 -1.759 -7.595 6.350 1.00 0.00 O ATOM 208 CB ALA A 16 -3.899 -9.926 5.848 1.00 0.00 C ATOM 0 H ALA A 16 -5.320 -9.508 7.798 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.510 -9.783 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.118 -9.961 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.198 -10.941 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.760 -9.383 5.458 1.00 0.00 H new ATOM 214 N VAL A 17 -3.773 -6.839 7.051 1.00 0.00 N ATOM 215 CA VAL A 17 -3.454 -5.441 6.814 1.00 0.00 C ATOM 216 C VAL A 17 -2.645 -4.900 7.994 1.00 0.00 C ATOM 217 O VAL A 17 -1.907 -3.926 7.851 1.00 0.00 O ATOM 218 CB VAL A 17 -4.737 -4.649 6.556 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.429 -3.170 6.310 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.525 -5.246 5.388 1.00 0.00 C ATOM 0 H VAL A 17 -4.709 -7.007 7.420 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.837 -5.336 5.922 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.358 -4.718 7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.358 -2.630 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.930 -2.752 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.778 -3.074 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.432 -4.664 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.913 -5.222 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.792 -6.277 5.619 1.00 0.00 H new ATOM 230 N VAL A 18 -2.809 -5.555 9.134 1.00 0.00 N ATOM 231 CA VAL A 18 -2.103 -5.152 10.338 1.00 0.00 C ATOM 232 C VAL A 18 -0.615 -5.473 10.182 1.00 0.00 C ATOM 233 O VAL A 18 0.233 -4.600 10.358 1.00 0.00 O ATOM 234 CB VAL A 18 -2.734 -5.818 11.562 1.00 0.00 C ATOM 235 CG1 VAL A 18 -1.851 -5.641 12.799 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.144 -5.280 11.813 1.00 0.00 C ATOM 0 H VAL A 18 -3.421 -6.363 9.249 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.189 -4.076 10.490 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.814 -6.886 11.358 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.323 -6.124 13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.876 -6.094 12.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.724 -4.578 13.006 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.570 -5.770 12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.098 -4.205 11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.770 -5.482 10.944 1.00 0.00 H new ATOM 246 N GLY A 19 -0.344 -6.728 9.855 1.00 0.00 N ATOM 247 CA GLY A 19 1.026 -7.175 9.675 1.00 0.00 C ATOM 248 C GLY A 19 1.870 -6.096 8.994 1.00 0.00 C ATOM 249 O GLY A 19 1.874 -5.987 7.769 1.00 0.00 O ATOM 0 H GLY A 19 -1.050 -7.449 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.461 -7.425 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.040 -8.085 9.075 1.00 0.00 H new ATOM 253 N GLY A 20 2.565 -5.325 9.818 1.00 0.00 N ATOM 254 CA GLY A 20 3.410 -4.258 9.310 1.00 0.00 C ATOM 255 C GLY A 20 2.858 -2.887 9.705 1.00 0.00 C ATOM 256 O GLY A 20 2.977 -1.924 8.948 1.00 0.00 O ATOM 0 H GLY A 20 2.560 -5.418 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.421 -4.373 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.477 -4.328 8.224 1.00 0.00 H new ATOM 260 N VAL A 21 2.267 -2.841 10.890 1.00 0.00 N ATOM 261 CA VAL A 21 1.697 -1.603 11.394 1.00 0.00 C ATOM 262 C VAL A 21 2.691 -0.462 11.174 1.00 0.00 C ATOM 263 O VAL A 21 2.343 0.567 10.597 1.00 0.00 O ATOM 264 CB VAL A 21 1.295 -1.772 12.861 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.122 -2.744 13.000 1.00 0.00 C ATOM 266 CG2 VAL A 21 2.486 -2.225 13.707 1.00 0.00 C ATOM 0 H VAL A 21 2.171 -3.641 11.516 1.00 0.00 H new ATOM 0 HA VAL A 21 0.788 -1.351 10.848 1.00 0.00 H new ATOM 0 HB VAL A 21 0.970 -0.800 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.143 -2.846 14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.735 -2.362 12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.407 -3.718 12.602 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.173 -2.337 14.745 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.855 -3.180 13.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.280 -1.481 13.646 1.00 0.00 H new ATOM 276 N VAL A 22 3.910 -0.681 11.646 1.00 0.00 N ATOM 277 CA VAL A 22 4.957 0.316 11.508 1.00 0.00 C ATOM 278 C VAL A 22 5.025 0.779 10.051 1.00 0.00 C ATOM 279 O VAL A 22 5.025 1.978 9.776 1.00 0.00 O ATOM 280 CB VAL A 22 6.285 -0.245 12.020 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.449 0.675 11.647 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.234 -0.480 13.531 1.00 0.00 C ATOM 0 H VAL A 22 4.195 -1.535 12.125 1.00 0.00 H new ATOM 0 HA VAL A 22 4.734 1.192 12.117 1.00 0.00 H new ATOM 0 HB VAL A 22 6.451 -1.208 11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.381 0.253 12.023 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.505 0.770 10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.292 1.659 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.190 -0.879 13.870 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.034 0.463 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.442 -1.192 13.762 1.00 0.00 H new ATOM 292 N ALA A 23 5.083 -0.196 9.156 1.00 0.00 N ATOM 293 CA ALA A 23 5.152 0.096 7.734 1.00 0.00 C ATOM 294 C ALA A 23 3.973 0.990 7.344 1.00 0.00 C ATOM 295 O ALA A 23 4.110 1.868 6.493 1.00 0.00 O ATOM 296 CB ALA A 23 5.176 -1.214 6.944 1.00 0.00 C ATOM 0 H ALA A 23 5.084 -1.189 9.388 1.00 0.00 H new ATOM 0 HA ALA A 23 6.069 0.636 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.228 -0.995 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.047 -1.800 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.270 -1.782 7.154 1.00 0.00 H new ATOM 302 N VAL A 24 2.842 0.737 7.985 1.00 0.00 N ATOM 303 CA VAL A 24 1.640 1.508 7.715 1.00 0.00 C ATOM 304 C VAL A 24 1.826 2.933 8.239 1.00 0.00 C ATOM 305 O VAL A 24 1.284 3.882 7.674 1.00 0.00 O ATOM 306 CB VAL A 24 0.421 0.804 8.316 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.871 1.537 7.950 1.00 0.00 C ATOM 308 CG2 VAL A 24 0.363 -0.661 7.879 1.00 0.00 C ATOM 0 H VAL A 24 2.732 0.009 8.691 1.00 0.00 H new ATOM 0 HA VAL A 24 1.463 1.577 6.642 1.00 0.00 H new ATOM 0 HB VAL A 24 0.523 0.826 9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.722 1.016 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.832 2.557 8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.981 1.561 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.512 -1.138 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.296 -0.714 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.264 -1.176 8.213 1.00 0.00 H new ATOM 318 N GLY A 25 2.593 3.039 9.314 1.00 0.00 N ATOM 319 CA GLY A 25 2.857 4.333 9.921 1.00 0.00 C ATOM 320 C GLY A 25 3.722 5.201 9.006 1.00 0.00 C ATOM 321 O GLY A 25 3.364 6.338 8.702 1.00 0.00 O ATOM 0 H GLY A 25 3.040 2.250 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.915 4.841 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.360 4.194 10.878 1.00 0.00 H new ATOM 325 N THR A 26 4.845 4.632 8.592 1.00 0.00 N ATOM 326 CA THR A 26 5.765 5.340 7.717 1.00 0.00 C ATOM 327 C THR A 26 5.075 5.705 6.401 1.00 0.00 C ATOM 328 O THR A 26 5.261 6.805 5.883 1.00 0.00 O ATOM 329 CB THR A 26 7.007 4.466 7.531 1.00 0.00 C ATOM 330 OG1 THR A 26 6.505 3.273 6.935 1.00 0.00 O ATOM 331 CG2 THR A 26 7.599 3.999 8.862 1.00 0.00 C ATOM 0 H THR A 26 5.139 3.689 8.846 1.00 0.00 H new ATOM 0 HA THR A 26 6.079 6.287 8.156 1.00 0.00 H new ATOM 0 HB THR A 26 7.762 5.021 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.245 2.650 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.478 3.383 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.885 4.866 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.856 3.415 9.406 1.00 0.00 H new ATOM 339 N VAL A 27 4.293 4.761 5.898 1.00 0.00 N ATOM 340 CA VAL A 27 3.575 4.969 4.653 1.00 0.00 C ATOM 341 C VAL A 27 2.619 6.153 4.812 1.00 0.00 C ATOM 342 O VAL A 27 2.544 7.017 3.940 1.00 0.00 O ATOM 343 CB VAL A 27 2.865 3.680 4.236 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.673 3.980 3.325 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.839 2.711 3.563 1.00 0.00 C ATOM 0 H VAL A 27 4.141 3.850 6.331 1.00 0.00 H new ATOM 0 HA VAL A 27 4.269 5.217 3.850 1.00 0.00 H new ATOM 0 HB VAL A 27 2.485 3.201 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.186 3.046 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.962 4.615 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.020 4.493 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.309 1.803 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.263 3.179 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.640 2.459 4.258 1.00 0.00 H new ATOM 355 N LEU A 28 1.911 6.154 5.932 1.00 0.00 N ATOM 356 CA LEU A 28 0.963 7.218 6.217 1.00 0.00 C ATOM 357 C LEU A 28 1.714 8.544 6.345 1.00 0.00 C ATOM 358 O LEU A 28 1.605 9.409 5.477 1.00 0.00 O ATOM 359 CB LEU A 28 0.119 6.868 7.445 1.00 0.00 C ATOM 360 CG LEU A 28 -1.391 6.769 7.215 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.791 5.348 6.813 1.00 0.00 C ATOM 362 CD2 LEU A 28 -2.165 7.257 8.440 1.00 0.00 C ATOM 0 H LEU A 28 1.975 5.435 6.653 1.00 0.00 H new ATOM 0 HA LEU A 28 0.257 7.330 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.469 5.915 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.301 7.620 8.213 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.655 7.425 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.869 5.304 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.278 5.073 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.512 4.653 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.235 7.176 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.902 6.646 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.910 8.297 8.641 1.00 0.00 H new ATOM 374 N VAL A 29 2.460 8.663 7.433 1.00 0.00 N ATOM 375 CA VAL A 29 3.228 9.870 7.685 1.00 0.00 C ATOM 376 C VAL A 29 3.897 10.324 6.387 1.00 0.00 C ATOM 377 O VAL A 29 4.052 11.521 6.149 1.00 0.00 O ATOM 378 CB VAL A 29 4.227 9.627 8.819 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.201 8.503 8.460 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.978 10.912 9.173 1.00 0.00 C ATOM 0 H VAL A 29 2.549 7.943 8.150 1.00 0.00 H new ATOM 0 HA VAL A 29 2.574 10.678 8.013 1.00 0.00 H new ATOM 0 HB VAL A 29 3.665 9.315 9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.900 8.351 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.645 7.583 8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.753 8.774 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.681 10.712 9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.522 11.268 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.266 11.673 9.492 1.00 0.00 H new ATOM 390 N ALA A 30 4.277 9.344 5.580 1.00 0.00 N ATOM 391 CA ALA A 30 4.925 9.628 4.311 1.00 0.00 C ATOM 392 C ALA A 30 3.946 10.365 3.396 1.00 0.00 C ATOM 393 O ALA A 30 4.216 11.485 2.964 1.00 0.00 O ATOM 394 CB ALA A 30 5.432 8.323 3.693 1.00 0.00 C ATOM 0 H ALA A 30 4.148 8.352 5.781 1.00 0.00 H new ATOM 0 HA ALA A 30 5.789 10.276 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.918 8.536 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.147 7.854 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.592 7.648 3.528 1.00 0.00 H new ATOM 400 N LEU A 31 2.828 9.706 3.126 1.00 0.00 N ATOM 401 CA LEU A 31 1.806 10.285 2.270 1.00 0.00 C ATOM 402 C LEU A 31 1.299 11.585 2.896 1.00 0.00 C ATOM 403 O LEU A 31 1.546 12.670 2.370 1.00 0.00 O ATOM 404 CB LEU A 31 0.701 9.265 1.990 1.00 0.00 C ATOM 405 CG LEU A 31 0.523 8.854 0.527 1.00 0.00 C ATOM 406 CD1 LEU A 31 1.187 7.503 0.252 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.955 8.857 0.133 1.00 0.00 C ATOM 0 H LEU A 31 2.608 8.777 3.485 1.00 0.00 H new ATOM 0 HA LEU A 31 2.225 10.542 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.904 8.369 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.243 9.674 2.349 1.00 0.00 H new ATOM 0 HG LEU A 31 1.025 9.592 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.046 7.234 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.253 7.571 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.736 6.740 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.054 8.561 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.501 8.154 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.365 9.858 0.267 1.00 0.00 H new ATOM 419 N SER A 32 0.598 11.434 4.011 1.00 0.00 N ATOM 420 CA SER A 32 0.054 12.583 4.714 1.00 0.00 C ATOM 421 C SER A 32 1.118 13.676 4.834 1.00 0.00 C ATOM 422 O SER A 32 0.967 14.758 4.270 1.00 0.00 O ATOM 423 CB SER A 32 -0.459 12.187 6.100 1.00 0.00 C ATOM 424 OG SER A 32 -1.849 11.871 6.085 1.00 0.00 O ATOM 0 H SER A 32 0.395 10.533 4.444 1.00 0.00 H new ATOM 0 HA SER A 32 -0.789 12.968 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.104 11.327 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.280 13.004 6.800 1.00 0.00 H new ATOM 0 HG SER A 32 -2.138 11.622 6.988 1.00 0.00 H new ATOM 430 N ALA A 33 2.170 13.354 5.572 1.00 0.00 N ATOM 431 CA ALA A 33 3.259 14.295 5.773 1.00 0.00 C ATOM 432 C ALA A 33 4.268 14.152 4.632 1.00 0.00 C ATOM 433 O ALA A 33 5.391 13.699 4.845 1.00 0.00 O ATOM 434 CB ALA A 33 3.892 14.058 7.145 1.00 0.00 C ATOM 0 H ALA A 33 2.292 12.455 6.038 1.00 0.00 H new ATOM 0 HA ALA A 33 2.888 15.320 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.709 14.764 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.141 14.201 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.278 13.040 7.197 1.00 0.00 H new ATOM 440 N MET A 34 3.831 14.547 3.445 1.00 0.00 N ATOM 441 CA MET A 34 4.682 14.468 2.270 1.00 0.00 C ATOM 442 C MET A 34 5.832 15.474 2.358 1.00 0.00 C ATOM 443 O MET A 34 6.727 15.474 1.514 1.00 0.00 O ATOM 444 CB MET A 34 3.850 14.750 1.017 1.00 0.00 C ATOM 445 CG MET A 34 3.115 16.086 1.137 1.00 0.00 C ATOM 446 SD MET A 34 1.351 15.819 1.081 1.00 0.00 S ATOM 447 CE MET A 34 1.124 15.618 -0.678 1.00 0.00 C ATOM 0 H MET A 34 2.899 14.923 3.272 1.00 0.00 H new ATOM 0 HA MET A 34 5.105 13.465 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.499 14.765 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.129 13.946 0.866 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.387 16.578 2.071 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.417 16.750 0.327 1.00 0.00 H new ATOM 0 HE1 MET A 34 0.070 15.441 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.452 16.521 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 34 1.712 14.769 -1.026 1.00 0.00 H new ATOM 457 N GLY A 35 5.769 16.307 3.386 1.00 0.00 N ATOM 458 CA GLY A 35 6.794 17.316 3.594 1.00 0.00 C ATOM 459 C GLY A 35 6.936 17.655 5.080 1.00 0.00 C ATOM 460 O GLY A 35 6.707 16.804 5.938 1.00 0.00 O ATOM 0 H GLY A 35 5.025 16.304 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.747 16.956 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.542 18.217 3.034 1.00 0.00 H new ATOM 464 N PHE A 36 7.312 18.899 5.337 1.00 0.00 N ATOM 465 CA PHE A 36 7.487 19.360 6.704 1.00 0.00 C ATOM 466 C PHE A 36 6.235 20.084 7.202 1.00 0.00 C ATOM 467 O PHE A 36 6.269 20.751 8.236 1.00 0.00 O ATOM 468 CB PHE A 36 8.661 20.342 6.698 1.00 0.00 C ATOM 469 CG PHE A 36 8.277 21.769 6.300 1.00 0.00 C ATOM 470 CD1 PHE A 36 8.129 22.093 4.988 1.00 0.00 C ATOM 471 CD2 PHE A 36 8.083 22.713 7.260 1.00 0.00 C ATOM 472 CE1 PHE A 36 7.772 23.417 4.619 1.00 0.00 C ATOM 473 CE2 PHE A 36 7.727 24.037 6.892 1.00 0.00 C ATOM 474 CZ PHE A 36 7.579 24.361 5.579 1.00 0.00 C ATOM 0 H PHE A 36 7.500 19.602 4.622 1.00 0.00 H new ATOM 0 HA PHE A 36 7.670 18.511 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.110 20.361 7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.423 19.977 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.283 21.343 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.200 22.455 8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.654 23.674 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.574 24.787 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.308 25.368 5.299 1.00 0.00 H new ATOM 484 N THR A 37 5.159 19.928 6.445 1.00 0.00 N ATOM 485 CA THR A 37 3.898 20.559 6.797 1.00 0.00 C ATOM 486 C THR A 37 2.833 19.498 7.083 1.00 0.00 C ATOM 487 O THR A 37 2.556 18.648 6.238 1.00 0.00 O ATOM 488 CB THR A 37 3.515 21.515 5.666 1.00 0.00 C ATOM 489 OG1 THR A 37 2.373 22.205 6.166 1.00 0.00 O ATOM 490 CG2 THR A 37 2.995 20.781 4.429 1.00 0.00 C ATOM 0 H THR A 37 5.134 19.374 5.589 1.00 0.00 H new ATOM 0 HA THR A 37 3.989 21.140 7.715 1.00 0.00 H new ATOM 0 HB THR A 37 4.381 22.118 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.060 22.847 5.496 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.738 21.506 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.767 20.109 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.109 20.204 4.694 1.00 0.00 H new ATOM 498 N SER A 38 2.264 19.584 8.276 1.00 0.00 N ATOM 499 CA SER A 38 1.235 18.642 8.684 1.00 0.00 C ATOM 500 C SER A 38 0.735 18.988 10.088 1.00 0.00 C ATOM 501 O SER A 38 -0.456 18.869 10.373 1.00 0.00 O ATOM 502 CB SER A 38 1.758 17.205 8.647 1.00 0.00 C ATOM 503 OG SER A 38 2.637 16.928 9.734 1.00 0.00 O ATOM 0 H SER A 38 2.496 20.291 8.973 1.00 0.00 H new ATOM 0 HA SER A 38 0.405 18.717 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.917 16.512 8.676 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.280 17.034 7.706 1.00 0.00 H new ATOM 0 HG SER A 38 2.948 16.000 9.675 1.00 0.00 H new ATOM 509 N VAL A 39 1.669 19.410 10.927 1.00 0.00 N ATOM 510 CA VAL A 39 1.338 19.775 12.294 1.00 0.00 C ATOM 511 C VAL A 39 0.323 20.920 12.280 1.00 0.00 C ATOM 512 O VAL A 39 -0.884 20.684 12.248 1.00 0.00 O ATOM 513 CB VAL A 39 2.613 20.116 13.068 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.281 20.794 14.399 1.00 0.00 C ATOM 515 CG2 VAL A 39 3.471 18.869 13.287 1.00 0.00 C ATOM 0 H VAL A 39 2.655 19.507 10.687 1.00 0.00 H new ATOM 0 HA VAL A 39 0.874 18.935 12.812 1.00 0.00 H new ATOM 0 HB VAL A 39 3.191 20.819 12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.205 21.026 14.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.730 21.715 14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.672 20.124 15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.371 19.139 13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.904 18.132 13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.751 18.446 12.322 1.00 0.00 H new ATOM 525 N GLY A 40 0.849 22.135 12.304 1.00 0.00 N ATOM 526 CA GLY A 40 0.004 23.317 12.295 1.00 0.00 C ATOM 527 C GLY A 40 -1.172 23.143 11.331 1.00 0.00 C ATOM 528 O GLY A 40 -2.321 23.378 11.700 1.00 0.00 O ATOM 0 H GLY A 40 1.850 22.327 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.371 23.508 13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.592 24.187 12.003 1.00 0.00 H new ATOM 532 N ILE A 41 -0.843 22.732 10.115 1.00 0.00 N ATOM 533 CA ILE A 41 -1.858 22.523 9.096 1.00 0.00 C ATOM 534 C ILE A 41 -2.981 21.658 9.671 1.00 0.00 C ATOM 535 O ILE A 41 -4.156 22.007 9.562 1.00 0.00 O ATOM 536 CB ILE A 41 -1.229 21.950 7.824 1.00 0.00 C ATOM 537 CG1 ILE A 41 -0.382 23.004 7.109 1.00 0.00 C ATOM 538 CG2 ILE A 41 -2.298 21.353 6.906 1.00 0.00 C ATOM 539 CD1 ILE A 41 -1.206 24.258 6.807 1.00 0.00 C ATOM 0 H ILE A 41 0.112 22.538 9.812 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.306 23.473 8.803 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.559 21.139 8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.475 23.268 7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.011 22.591 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.825 20.953 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.821 20.552 7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.011 22.128 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.580 24.991 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.048 23.995 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.577 24.683 7.740 1.00 0.00 H new ATOM 551 N ALA A 42 -2.581 20.546 10.271 1.00 0.00 N ATOM 552 CA ALA A 42 -3.539 19.628 10.862 1.00 0.00 C ATOM 553 C ALA A 42 -4.356 20.366 11.925 1.00 0.00 C ATOM 554 O ALA A 42 -5.539 20.085 12.110 1.00 0.00 O ATOM 555 CB ALA A 42 -2.800 18.416 11.433 1.00 0.00 C ATOM 0 H ALA A 42 -1.606 20.260 10.360 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.234 19.260 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.519 17.727 11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.258 17.910 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.095 18.746 12.196 1.00 0.00 H new ATOM 561 N ALA A 43 -3.692 21.296 12.596 1.00 0.00 N ATOM 562 CA ALA A 43 -4.342 22.077 13.635 1.00 0.00 C ATOM 563 C ALA A 43 -5.366 23.017 12.996 1.00 0.00 C ATOM 564 O ALA A 43 -6.366 23.368 13.620 1.00 0.00 O ATOM 565 CB ALA A 43 -3.285 22.830 14.445 1.00 0.00 C ATOM 0 H ALA A 43 -2.711 21.526 12.440 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.878 21.426 14.325 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.773 23.416 15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.600 22.116 14.903 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.728 23.496 13.786 1.00 0.00 H new ATOM 571 N SER A 44 -5.081 23.399 11.760 1.00 0.00 N ATOM 572 CA SER A 44 -5.964 24.291 11.029 1.00 0.00 C ATOM 573 C SER A 44 -7.236 23.547 10.617 1.00 0.00 C ATOM 574 O SER A 44 -8.338 23.930 11.008 1.00 0.00 O ATOM 575 CB SER A 44 -5.266 24.871 9.798 1.00 0.00 C ATOM 576 OG SER A 44 -6.118 25.746 9.063 1.00 0.00 O ATOM 0 H SER A 44 -4.250 23.107 11.246 1.00 0.00 H new ATOM 0 HA SER A 44 -6.232 25.119 11.685 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.373 25.412 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.937 24.058 9.151 1.00 0.00 H new ATOM 0 HG SER A 44 -5.635 26.097 8.286 1.00 0.00 H new ATOM 582 N SER A 45 -7.041 22.497 9.833 1.00 0.00 N ATOM 583 CA SER A 45 -8.159 21.696 9.364 1.00 0.00 C ATOM 584 C SER A 45 -9.015 21.247 10.549 1.00 0.00 C ATOM 585 O SER A 45 -10.243 21.262 10.474 1.00 0.00 O ATOM 586 CB SER A 45 -7.672 20.482 8.571 1.00 0.00 C ATOM 587 OG SER A 45 -8.743 19.804 7.920 1.00 0.00 O ATOM 0 H SER A 45 -6.126 22.182 9.511 1.00 0.00 H new ATOM 0 HA SER A 45 -8.765 22.311 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.942 20.803 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.161 19.792 9.242 1.00 0.00 H new ATOM 0 HG SER A 45 -8.390 19.036 7.423 1.00 0.00 H new ATOM 593 N ILE A 46 -8.334 20.859 11.617 1.00 0.00 N ATOM 594 CA ILE A 46 -9.017 20.407 12.817 1.00 0.00 C ATOM 595 C ILE A 46 -9.885 21.542 13.363 1.00 0.00 C ATOM 596 O ILE A 46 -11.084 21.366 13.571 1.00 0.00 O ATOM 597 CB ILE A 46 -8.011 19.859 13.832 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.369 18.566 13.325 1.00 0.00 C ATOM 599 CG2 ILE A 46 -8.661 19.676 15.205 1.00 0.00 C ATOM 600 CD1 ILE A 46 -6.013 18.328 13.992 1.00 0.00 C ATOM 0 H ILE A 46 -7.316 20.848 11.676 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.685 19.578 12.585 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.212 20.591 13.949 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.031 17.724 13.528 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.242 18.619 12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.924 19.286 15.907 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.031 20.637 15.564 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.492 18.975 15.124 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.579 17.403 13.614 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.346 19.160 13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.147 18.251 15.071 1.00 0.00 H new ATOM 612 N ALA A 47 -9.245 22.682 13.581 1.00 0.00 N ATOM 613 CA ALA A 47 -9.944 23.846 14.099 1.00 0.00 C ATOM 614 C ALA A 47 -11.207 24.087 13.270 1.00 0.00 C ATOM 615 O ALA A 47 -12.247 24.459 13.812 1.00 0.00 O ATOM 616 CB ALA A 47 -9.002 25.052 14.092 1.00 0.00 C ATOM 0 H ALA A 47 -8.250 22.824 13.408 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.254 23.681 15.131 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.526 25.925 14.480 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.135 24.840 14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.673 25.251 13.072 1.00 0.00 H new ATOM 622 N ALA A 48 -11.075 23.866 11.971 1.00 0.00 N ATOM 623 CA ALA A 48 -12.193 24.054 11.062 1.00 0.00 C ATOM 624 C ALA A 48 -13.336 23.121 11.466 1.00 0.00 C ATOM 625 O ALA A 48 -14.414 23.580 11.844 1.00 0.00 O ATOM 626 CB ALA A 48 -11.728 23.818 9.624 1.00 0.00 C ATOM 0 H ALA A 48 -10.210 23.558 11.526 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.566 25.076 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.567 23.959 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.937 24.526 9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.349 22.801 9.527 1.00 0.00 H new ATOM 632 N LYS A 49 -13.063 21.828 11.373 1.00 0.00 N ATOM 633 CA LYS A 49 -14.055 20.826 11.724 1.00 0.00 C ATOM 634 C LYS A 49 -15.287 21.000 10.834 1.00 0.00 C ATOM 635 O LYS A 49 -16.008 21.990 10.952 1.00 0.00 O ATOM 636 CB LYS A 49 -14.366 20.881 13.221 1.00 0.00 C ATOM 637 CG LYS A 49 -13.884 19.613 13.929 1.00 0.00 C ATOM 638 CD LYS A 49 -13.434 19.919 15.358 1.00 0.00 C ATOM 639 CE LYS A 49 -14.347 19.236 16.379 1.00 0.00 C ATOM 640 NZ LYS A 49 -15.634 19.958 16.488 1.00 0.00 N ATOM 0 H LYS A 49 -12.169 21.451 11.059 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.666 19.825 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.886 21.754 13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.440 20.998 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.686 18.875 13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.058 19.172 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.407 19.581 15.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.441 20.997 15.522 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.527 18.203 16.081 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.856 19.206 17.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.241 19.481 17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.458 20.936 16.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.108 19.964 15.562 1.00 0.00 H new ATOM 823 N ALA A 64 -10.637 10.392 -2.171 1.00 0.00 N ATOM 824 CA ALA A 64 -11.002 11.772 -2.441 1.00 0.00 C ATOM 825 C ALA A 64 -9.766 12.661 -2.289 1.00 0.00 C ATOM 826 O ALA A 64 -9.347 12.961 -1.173 1.00 0.00 O ATOM 827 CB ALA A 64 -12.140 12.191 -1.508 1.00 0.00 C ATOM 0 HA ALA A 64 -11.362 11.881 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.414 13.226 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.004 11.548 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.814 12.098 -0.472 1.00 0.00 H new ATOM 833 N GLY A 65 -9.218 13.058 -3.429 1.00 0.00 N ATOM 834 CA GLY A 65 -8.039 13.906 -3.437 1.00 0.00 C ATOM 835 C GLY A 65 -6.976 13.359 -4.391 1.00 0.00 C ATOM 836 O GLY A 65 -7.071 12.219 -4.843 1.00 0.00 O ATOM 0 H GLY A 65 -9.569 12.808 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.316 14.917 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.628 13.973 -2.430 1.00 0.00 H new ATOM 840 N SER A 66 -5.987 14.196 -4.668 1.00 0.00 N ATOM 841 CA SER A 66 -4.907 13.810 -5.560 1.00 0.00 C ATOM 842 C SER A 66 -4.273 12.504 -5.079 1.00 0.00 C ATOM 843 O SER A 66 -3.768 11.722 -5.883 1.00 0.00 O ATOM 844 CB SER A 66 -3.849 14.911 -5.652 1.00 0.00 C ATOM 845 OG SER A 66 -3.159 14.886 -6.899 1.00 0.00 O ATOM 0 H SER A 66 -5.911 15.140 -4.290 1.00 0.00 H new ATOM 0 HA SER A 66 -5.323 13.659 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.325 15.883 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.133 14.794 -4.839 1.00 0.00 H new ATOM 0 HG SER A 66 -2.493 15.605 -6.919 1.00 0.00 H new ATOM 851 N LEU A 67 -4.320 12.307 -3.769 1.00 0.00 N ATOM 852 CA LEU A 67 -3.756 11.109 -3.171 1.00 0.00 C ATOM 853 C LEU A 67 -4.203 9.885 -3.974 1.00 0.00 C ATOM 854 O LEU A 67 -3.491 8.884 -4.034 1.00 0.00 O ATOM 855 CB LEU A 67 -4.111 11.033 -1.685 1.00 0.00 C ATOM 856 CG LEU A 67 -5.585 11.253 -1.336 1.00 0.00 C ATOM 857 CD1 LEU A 67 -6.305 9.919 -1.132 1.00 0.00 C ATOM 858 CD2 LEU A 67 -5.729 12.174 -0.122 1.00 0.00 C ATOM 0 H LEU A 67 -4.740 12.957 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.667 11.139 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.811 10.055 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.517 11.775 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.065 11.752 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.350 10.104 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.247 9.330 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.831 9.371 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.786 12.314 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.230 11.725 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.274 13.140 -0.342 1.00 0.00 H new ATOM 870 N VAL A 68 -5.380 10.006 -4.569 1.00 0.00 N ATOM 871 CA VAL A 68 -5.931 8.922 -5.365 1.00 0.00 C ATOM 872 C VAL A 68 -4.868 8.426 -6.348 1.00 0.00 C ATOM 873 O VAL A 68 -4.579 7.232 -6.404 1.00 0.00 O ATOM 874 CB VAL A 68 -7.216 9.382 -6.057 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.255 9.842 -5.032 1.00 0.00 C ATOM 876 CG2 VAL A 68 -6.926 10.484 -7.077 1.00 0.00 C ATOM 0 H VAL A 68 -5.968 10.838 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.204 8.081 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.630 8.530 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.159 10.164 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.495 9.017 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.852 10.674 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.856 10.792 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.477 11.339 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.238 10.107 -7.834 1.00 0.00 H new ATOM 886 N ALA A 69 -4.316 9.368 -7.098 1.00 0.00 N ATOM 887 CA ALA A 69 -3.292 9.041 -8.076 1.00 0.00 C ATOM 888 C ALA A 69 -2.157 8.283 -7.385 1.00 0.00 C ATOM 889 O ALA A 69 -1.558 7.384 -7.973 1.00 0.00 O ATOM 890 CB ALA A 69 -2.807 10.324 -8.755 1.00 0.00 C ATOM 0 H ALA A 69 -4.558 10.358 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.696 8.393 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.039 10.079 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.645 10.810 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.391 10.998 -8.006 1.00 0.00 H new ATOM 896 N ILE A 70 -1.896 8.673 -6.146 1.00 0.00 N ATOM 897 CA ILE A 70 -0.843 8.041 -5.368 1.00 0.00 C ATOM 898 C ILE A 70 -1.283 6.629 -4.975 1.00 0.00 C ATOM 899 O ILE A 70 -0.452 5.737 -4.819 1.00 0.00 O ATOM 900 CB ILE A 70 -0.456 8.919 -4.177 1.00 0.00 C ATOM 901 CG1 ILE A 70 0.082 10.272 -4.645 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.531 8.195 -3.260 1.00 0.00 C ATOM 903 CD1 ILE A 70 1.360 10.099 -5.468 1.00 0.00 C ATOM 0 H ILE A 70 -2.395 9.419 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 70 0.063 7.938 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.354 9.115 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.674 10.781 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.284 10.905 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.790 8.841 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.074 7.279 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.433 7.948 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.722 11.076 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.122 9.612 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.149 9.485 -6.344 1.00 0.00 H new ATOM 915 N LEU A 71 -2.591 6.471 -4.827 1.00 0.00 N ATOM 916 CA LEU A 71 -3.151 5.183 -4.454 1.00 0.00 C ATOM 917 C LEU A 71 -2.955 4.195 -5.606 1.00 0.00 C ATOM 918 O LEU A 71 -2.549 3.055 -5.387 1.00 0.00 O ATOM 919 CB LEU A 71 -4.610 5.340 -4.020 1.00 0.00 C ATOM 920 CG LEU A 71 -5.020 4.576 -2.759 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.903 3.065 -2.971 1.00 0.00 C ATOM 922 CD2 LEU A 71 -4.215 5.048 -1.546 1.00 0.00 C ATOM 0 H LEU A 71 -3.278 7.213 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.627 4.774 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.809 6.400 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.250 5.016 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.068 4.793 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.200 2.546 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.554 2.761 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.871 2.810 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.526 4.489 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.153 4.880 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.392 6.111 -1.383 1.00 0.00 H new ATOM 934 N GLN A 72 -3.252 4.668 -6.807 1.00 0.00 N ATOM 935 CA GLN A 72 -3.114 3.840 -7.993 1.00 0.00 C ATOM 936 C GLN A 72 -1.646 3.465 -8.209 1.00 0.00 C ATOM 937 O GLN A 72 -1.320 2.290 -8.376 1.00 0.00 O ATOM 938 CB GLN A 72 -3.687 4.545 -9.224 1.00 0.00 C ATOM 939 CG GLN A 72 -4.976 3.867 -9.693 1.00 0.00 C ATOM 940 CD GLN A 72 -5.556 4.580 -10.916 1.00 0.00 C ATOM 941 OE1 GLN A 72 -6.025 5.705 -10.847 1.00 0.00 O ATOM 942 NE2 GLN A 72 -5.500 3.866 -12.036 1.00 0.00 N ATOM 0 H GLN A 72 -3.588 5.615 -6.985 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.685 2.924 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.886 5.590 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.952 4.534 -10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.775 2.824 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.708 3.870 -8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.094 2.930 -12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.863 4.254 -12.907 1.00 0.00 H new ATOM 951 N SER A 73 -0.800 4.484 -8.200 1.00 0.00 N ATOM 952 CA SER A 73 0.625 4.276 -8.394 1.00 0.00 C ATOM 953 C SER A 73 1.196 3.457 -7.234 1.00 0.00 C ATOM 954 O SER A 73 1.544 2.290 -7.406 1.00 0.00 O ATOM 955 CB SER A 73 1.364 5.610 -8.516 1.00 0.00 C ATOM 956 OG SER A 73 2.778 5.445 -8.444 1.00 0.00 O ATOM 0 H SER A 73 -1.074 5.457 -8.061 1.00 0.00 H new ATOM 0 HA SER A 73 0.768 3.726 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.102 6.085 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.036 6.280 -7.721 1.00 0.00 H new ATOM 0 HG SER A 73 3.214 6.319 -8.527 1.00 0.00 H new ATOM 962 N VAL A 74 1.275 4.101 -6.079 1.00 0.00 N ATOM 963 CA VAL A 74 1.799 3.447 -4.892 1.00 0.00 C ATOM 964 C VAL A 74 1.157 2.065 -4.752 1.00 0.00 C ATOM 965 O VAL A 74 1.782 1.135 -4.244 1.00 0.00 O ATOM 966 CB VAL A 74 1.580 4.335 -3.666 1.00 0.00 C ATOM 967 CG1 VAL A 74 0.239 4.026 -2.997 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.734 4.192 -2.672 1.00 0.00 C ATOM 0 H VAL A 74 0.985 5.069 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 74 2.875 3.298 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 74 1.555 5.371 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.109 4.671 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.570 4.203 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.222 2.983 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.553 4.834 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.805 3.155 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.667 4.485 -3.153 1.00 0.00 H new ATOM 978 N GLY A 75 -0.083 1.975 -5.211 1.00 0.00 N ATOM 979 CA GLY A 75 -0.816 0.722 -5.142 1.00 0.00 C ATOM 980 C GLY A 75 -0.107 -0.373 -5.942 1.00 0.00 C ATOM 981 O GLY A 75 0.382 -1.346 -5.371 1.00 0.00 O ATOM 0 H GLY A 75 -0.598 2.748 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.915 0.411 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.825 0.865 -5.529 1.00 0.00 H new ATOM 985 N ALA A 76 -0.074 -0.177 -7.252 1.00 0.00 N ATOM 986 CA ALA A 76 0.567 -1.135 -8.136 1.00 0.00 C ATOM 987 C ALA A 76 2.065 -1.180 -7.833 1.00 0.00 C ATOM 988 O ALA A 76 2.586 -2.210 -7.408 1.00 0.00 O ATOM 989 CB ALA A 76 0.278 -0.760 -9.591 1.00 0.00 C ATOM 0 H ALA A 76 -0.481 0.631 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 76 0.167 -2.136 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.759 -1.479 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.798 -0.771 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.667 0.238 -9.794 1.00 0.00 H new ATOM 995 N ALA A 77 2.717 -0.049 -8.062 1.00 0.00 N ATOM 996 CA ALA A 77 4.146 0.053 -7.818 1.00 0.00 C ATOM 997 C ALA A 77 4.476 -0.586 -6.468 1.00 0.00 C ATOM 998 O ALA A 77 5.210 -1.571 -6.406 1.00 0.00 O ATOM 999 CB ALA A 77 4.572 1.521 -7.888 1.00 0.00 C ATOM 0 H ALA A 77 2.282 0.804 -8.414 1.00 0.00 H new ATOM 0 HA ALA A 77 4.705 -0.486 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.644 1.598 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.343 1.920 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.033 2.093 -7.133 1.00 0.00 H new ATOM 1005 N GLY A 78 3.917 0.001 -5.420 1.00 0.00 N ATOM 1006 CA GLY A 78 4.143 -0.499 -4.074 1.00 0.00 C ATOM 1007 C GLY A 78 4.026 -2.024 -4.029 1.00 0.00 C ATOM 1008 O GLY A 78 5.023 -2.722 -3.858 1.00 0.00 O ATOM 0 H GLY A 78 3.308 0.818 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.132 -0.196 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.419 -0.055 -3.391 1.00 0.00 H new ATOM 1012 N LEU A 79 2.797 -2.496 -4.185 1.00 0.00 N ATOM 1013 CA LEU A 79 2.536 -3.925 -4.164 1.00 0.00 C ATOM 1014 C LEU A 79 3.607 -4.646 -4.986 1.00 0.00 C ATOM 1015 O LEU A 79 3.996 -5.766 -4.657 1.00 0.00 O ATOM 1016 CB LEU A 79 1.107 -4.215 -4.627 1.00 0.00 C ATOM 1017 CG LEU A 79 0.523 -5.562 -4.195 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.228 -5.434 -2.868 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -0.357 -6.157 -5.297 1.00 0.00 C ATOM 0 H LEU A 79 1.972 -1.914 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 79 2.601 -4.310 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.457 -3.423 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.081 -4.162 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 79 1.348 -6.256 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.633 -6.405 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.457 -5.086 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.043 -4.719 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.759 -7.114 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.178 -5.474 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.239 -6.307 -6.197 1.00 0.00 H new ATOM 1031 N SER A 80 4.053 -3.975 -6.037 1.00 0.00 N ATOM 1032 CA SER A 80 5.071 -4.539 -6.908 1.00 0.00 C ATOM 1033 C SER A 80 6.368 -4.752 -6.126 1.00 0.00 C ATOM 1034 O SER A 80 6.687 -5.876 -5.740 1.00 0.00 O ATOM 1035 CB SER A 80 5.322 -3.636 -8.117 1.00 0.00 C ATOM 1036 OG SER A 80 5.211 -4.347 -9.347 1.00 0.00 O ATOM 0 H SER A 80 3.729 -3.046 -6.306 1.00 0.00 H new ATOM 0 HA SER A 80 4.713 -5.501 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.608 -2.812 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.317 -3.196 -8.041 1.00 0.00 H new ATOM 0 HG SER A 80 5.376 -3.735 -10.095 1.00 0.00 H new ATOM 1042 N VAL A 81 7.082 -3.656 -5.915 1.00 0.00 N ATOM 1043 CA VAL A 81 8.338 -3.709 -5.186 1.00 0.00 C ATOM 1044 C VAL A 81 8.159 -4.569 -3.934 1.00 0.00 C ATOM 1045 O VAL A 81 9.112 -5.187 -3.460 1.00 0.00 O ATOM 1046 CB VAL A 81 8.821 -2.291 -4.873 1.00 0.00 C ATOM 1047 CG1 VAL A 81 10.015 -2.318 -3.916 1.00 0.00 C ATOM 1048 CG2 VAL A 81 9.164 -1.533 -6.157 1.00 0.00 C ATOM 0 H VAL A 81 6.815 -2.726 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 81 9.113 -4.176 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 81 8.007 -1.761 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.339 -1.298 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.723 -2.802 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.834 -2.874 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.505 -0.528 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.954 -2.061 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.278 -1.469 -6.789 1.00 0.00 H new ATOM 1058 N THR A 82 6.933 -4.583 -3.433 1.00 0.00 N ATOM 1059 CA THR A 82 6.617 -5.358 -2.245 1.00 0.00 C ATOM 1060 C THR A 82 6.810 -6.851 -2.516 1.00 0.00 C ATOM 1061 O THR A 82 7.864 -7.409 -2.212 1.00 0.00 O ATOM 1062 CB THR A 82 5.195 -4.998 -1.810 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.282 -3.623 -1.444 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.784 -5.703 -0.516 1.00 0.00 C ATOM 0 H THR A 82 6.145 -4.069 -3.828 1.00 0.00 H new ATOM 0 HA THR A 82 7.294 -5.118 -1.425 1.00 0.00 H new ATOM 0 HB THR A 82 4.495 -5.258 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.367 -3.074 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.767 -5.414 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.828 -6.783 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.464 -5.416 0.286 1.00 0.00 H new ATOM 1072 N SER A 83 5.777 -7.455 -3.084 1.00 0.00 N ATOM 1073 CA SER A 83 5.820 -8.873 -3.399 1.00 0.00 C ATOM 1074 C SER A 83 7.178 -9.234 -4.005 1.00 0.00 C ATOM 1075 O SER A 83 7.766 -10.256 -3.655 1.00 0.00 O ATOM 1076 CB SER A 83 4.692 -9.259 -4.357 1.00 0.00 C ATOM 1077 OG SER A 83 3.530 -9.704 -3.662 1.00 0.00 O ATOM 0 H SER A 83 4.905 -6.989 -3.334 1.00 0.00 H new ATOM 0 HA SER A 83 5.682 -9.433 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.436 -8.402 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.038 -10.047 -5.026 1.00 0.00 H new ATOM 0 HG SER A 83 2.832 -9.939 -4.309 1.00 0.00 H new ATOM 1083 N LYS A 84 7.636 -8.374 -4.903 1.00 0.00 N ATOM 1084 CA LYS A 84 8.914 -8.590 -5.561 1.00 0.00 C ATOM 1085 C LYS A 84 9.978 -8.906 -4.508 1.00 0.00 C ATOM 1086 O LYS A 84 10.623 -9.952 -4.567 1.00 0.00 O ATOM 1087 CB LYS A 84 9.265 -7.397 -6.452 1.00 0.00 C ATOM 1088 CG LYS A 84 8.870 -7.662 -7.906 1.00 0.00 C ATOM 1089 CD LYS A 84 9.672 -6.778 -8.862 1.00 0.00 C ATOM 1090 CE LYS A 84 8.819 -5.619 -9.383 1.00 0.00 C ATOM 1091 NZ LYS A 84 8.004 -6.054 -10.539 1.00 0.00 N ATOM 0 H LYS A 84 7.146 -7.527 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 84 8.860 -9.451 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.754 -6.505 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.335 -7.197 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.039 -8.711 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.805 -7.473 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.551 -6.386 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.031 -7.375 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.168 -5.253 -8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.462 -4.789 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.431 -5.256 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.630 -6.382 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.377 -6.831 -10.249 1.00 0.00 H new ATOM 1105 N VAL A 85 10.128 -7.983 -3.569 1.00 0.00 N ATOM 1106 CA VAL A 85 11.103 -8.151 -2.505 1.00 0.00 C ATOM 1107 C VAL A 85 10.754 -9.398 -1.691 1.00 0.00 C ATOM 1108 O VAL A 85 11.632 -10.020 -1.094 1.00 0.00 O ATOM 1109 CB VAL A 85 11.172 -6.881 -1.654 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.375 -7.046 -0.358 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.623 -6.496 -1.359 1.00 0.00 C ATOM 0 H VAL A 85 9.591 -7.117 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 85 12.099 -8.303 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 85 10.720 -6.070 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.440 -6.130 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.331 -7.251 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.785 -7.875 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.643 -5.590 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.111 -7.306 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.150 -6.317 -2.296 1.00 0.00 H new ATOM 1121 N ILE A 86 9.470 -9.727 -1.693 1.00 0.00 N ATOM 1122 CA ILE A 86 8.994 -10.889 -0.962 1.00 0.00 C ATOM 1123 C ILE A 86 9.393 -12.159 -1.716 1.00 0.00 C ATOM 1124 O ILE A 86 10.320 -12.859 -1.312 1.00 0.00 O ATOM 1125 CB ILE A 86 7.491 -10.777 -0.697 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.164 -9.497 0.074 1.00 0.00 C ATOM 1127 CG2 ILE A 86 6.965 -12.025 0.014 1.00 0.00 C ATOM 1128 CD1 ILE A 86 5.665 -9.194 0.023 1.00 0.00 C ATOM 0 H ILE A 86 8.745 -9.209 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 86 9.464 -10.940 0.020 1.00 0.00 H new ATOM 0 HB ILE A 86 6.979 -10.714 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.482 -9.602 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.722 -8.661 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.895 -11.919 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.145 -12.902 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.480 -12.145 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.460 -8.279 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.355 -9.066 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.111 -10.021 0.468 1.00 0.00 H new ATOM 1140 N GLY A 87 8.674 -12.417 -2.798 1.00 0.00 N ATOM 1141 CA GLY A 87 8.941 -13.590 -3.612 1.00 0.00 C ATOM 1142 C GLY A 87 9.371 -13.191 -5.025 1.00 0.00 C ATOM 1143 O GLY A 87 10.479 -12.694 -5.223 1.00 0.00 O ATOM 0 H GLY A 87 7.906 -11.833 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.723 -14.190 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.048 -14.213 -3.662 1.00 0.00 H new ATOM 1147 N GLY A 88 8.472 -13.423 -5.970 1.00 0.00 N ATOM 1148 CA GLY A 88 8.745 -13.094 -7.359 1.00 0.00 C ATOM 1149 C GLY A 88 7.467 -13.156 -8.198 1.00 0.00 C ATOM 1150 O GLY A 88 7.177 -12.237 -8.962 1.00 0.00 O ATOM 0 H GLY A 88 7.554 -13.835 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.178 -12.095 -7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.483 -13.787 -7.762 1.00 0.00 H new ATOM 1154 N PHE A 89 6.738 -14.249 -8.028 1.00 0.00 N ATOM 1155 CA PHE A 89 5.498 -14.443 -8.760 1.00 0.00 C ATOM 1156 C PHE A 89 4.818 -15.751 -8.349 1.00 0.00 C ATOM 1157 O PHE A 89 5.036 -16.790 -8.971 1.00 0.00 O ATOM 1158 CB PHE A 89 5.862 -14.515 -10.244 1.00 0.00 C ATOM 1159 CG PHE A 89 6.741 -15.713 -10.612 1.00 0.00 C ATOM 1160 CD1 PHE A 89 8.045 -15.742 -10.228 1.00 0.00 C ATOM 1161 CD2 PHE A 89 6.217 -16.748 -11.322 1.00 0.00 C ATOM 1162 CE1 PHE A 89 8.861 -16.853 -10.570 1.00 0.00 C ATOM 1163 CE2 PHE A 89 7.033 -17.859 -11.664 1.00 0.00 C ATOM 1164 CZ PHE A 89 8.337 -17.888 -11.280 1.00 0.00 C ATOM 0 H PHE A 89 6.982 -15.010 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 89 4.809 -13.625 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.945 -14.557 -10.831 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.379 -13.598 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.460 -14.920 -9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.181 -16.725 -11.626 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.897 -16.876 -10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.618 -18.681 -12.229 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.957 -18.733 -11.539 1.00 0.00 H new ATOM 1174 N ALA A 90 4.007 -15.656 -7.305 1.00 0.00 N ATOM 1175 CA ALA A 90 3.293 -16.819 -6.805 1.00 0.00 C ATOM 1176 C ALA A 90 4.280 -17.971 -6.606 1.00 0.00 C ATOM 1177 O ALA A 90 4.309 -18.912 -7.398 1.00 0.00 O ATOM 1178 CB ALA A 90 2.163 -17.179 -7.771 1.00 0.00 C ATOM 0 H ALA A 90 3.829 -14.793 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 90 2.838 -16.604 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.628 -18.051 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.474 -16.339 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.581 -17.404 -8.752 1.00 0.00 H new ATOM 1184 N GLY A 91 5.064 -17.860 -5.544 1.00 0.00 N ATOM 1185 CA GLY A 91 6.050 -18.880 -5.231 1.00 0.00 C ATOM 1186 C GLY A 91 7.247 -18.279 -4.492 1.00 0.00 C ATOM 1187 O GLY A 91 7.556 -17.100 -4.660 1.00 0.00 O ATOM 0 H GLY A 91 5.036 -17.079 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.593 -19.657 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.388 -19.358 -6.150 1.00 0.00 H new ATOM 1191 N THR A 92 7.888 -19.116 -3.689 1.00 0.00 N ATOM 1192 CA THR A 92 9.044 -18.681 -2.924 1.00 0.00 C ATOM 1193 C THR A 92 8.790 -17.304 -2.309 1.00 0.00 C ATOM 1194 O THR A 92 9.034 -16.280 -2.947 1.00 0.00 O ATOM 1195 CB THR A 92 10.263 -18.719 -3.847 1.00 0.00 C ATOM 1196 OG1 THR A 92 9.913 -17.849 -4.921 1.00 0.00 O ATOM 1197 CG2 THR A 92 10.449 -20.082 -4.517 1.00 0.00 C ATOM 0 H THR A 92 7.629 -20.093 -3.552 1.00 0.00 H new ATOM 0 HA THR A 92 9.234 -19.347 -2.082 1.00 0.00 H new ATOM 0 HB THR A 92 11.158 -18.471 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.346 -17.124 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.328 -20.054 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.583 -20.848 -3.753 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.568 -20.317 -5.115 1.00 0.00 H new