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 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 -27:sc= -0.234 USER MOD Single : A 26 THR OG1 : 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 -137:sc= 0.28 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= -0.236 K(o=-0.24,f=-1.9!) 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 75:sc= 1.16 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 -11.119 -11.919 0.934 1.00 0.00 N ATOM 117 CA SER A 9 -10.853 -11.906 2.363 1.00 0.00 C ATOM 118 C SER A 9 -11.812 -10.943 3.065 1.00 0.00 C ATOM 119 O SER A 9 -12.041 -9.832 2.589 1.00 0.00 O ATOM 120 CB SER A 9 -9.402 -11.512 2.648 1.00 0.00 C ATOM 121 OG SER A 9 -9.053 -10.275 2.032 1.00 0.00 O ATOM 0 HA SER A 9 -11.011 -12.912 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.252 -11.436 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.736 -12.296 2.288 1.00 0.00 H new ATOM 0 HG SER A 9 -9.614 -10.134 1.241 1.00 0.00 H new ATOM 127 N GLY A 10 -12.347 -11.404 4.186 1.00 0.00 N ATOM 128 CA GLY A 10 -13.276 -10.597 4.959 1.00 0.00 C ATOM 129 C GLY A 10 -12.614 -10.065 6.231 1.00 0.00 C ATOM 130 O GLY A 10 -12.001 -8.998 6.218 1.00 0.00 O ATOM 0 H GLY A 10 -12.155 -12.326 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.630 -9.763 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.150 -11.193 5.222 1.00 0.00 H new ATOM 134 N ARG A 11 -12.759 -10.833 7.301 1.00 0.00 N ATOM 135 CA ARG A 11 -12.182 -10.453 8.580 1.00 0.00 C ATOM 136 C ARG A 11 -10.657 -10.571 8.531 1.00 0.00 C ATOM 137 O ARG A 11 -9.948 -9.585 8.726 1.00 0.00 O ATOM 138 CB ARG A 11 -12.719 -11.333 9.710 1.00 0.00 C ATOM 139 CG ARG A 11 -12.934 -10.516 10.986 1.00 0.00 C ATOM 140 CD ARG A 11 -13.461 -11.399 12.119 1.00 0.00 C ATOM 141 NE ARG A 11 -13.782 -10.567 13.301 1.00 0.00 N ATOM 142 CZ ARG A 11 -13.960 -11.058 14.546 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.851 -12.382 14.782 1.00 0.00 N ATOM 144 NH2 ARG A 11 -14.244 -10.223 15.528 1.00 0.00 N ATOM 0 H ARG A 11 -13.268 -11.717 7.309 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.463 -9.418 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.660 -11.790 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.019 -12.145 9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.995 -10.052 11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.640 -9.709 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.351 -11.936 11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.716 -12.149 12.383 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.874 -9.560 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.633 -13.020 14.017 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.987 -12.745 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.326 -9.224 15.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.382 -10.577 16.475 1.00 0.00 H new ATOM 158 N ALA A 12 -10.198 -11.786 8.268 1.00 0.00 N ATOM 159 CA ALA A 12 -8.771 -12.046 8.191 1.00 0.00 C ATOM 160 C ALA A 12 -8.087 -10.896 7.449 1.00 0.00 C ATOM 161 O ALA A 12 -6.977 -10.499 7.800 1.00 0.00 O ATOM 162 CB ALA A 12 -8.534 -13.399 7.516 1.00 0.00 C ATOM 0 H ALA A 12 -10.789 -12.601 8.106 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.336 -12.099 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.463 -13.594 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.015 -14.185 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.955 -13.383 6.511 1.00 0.00 H new ATOM 168 N ALA A 13 -8.777 -10.395 6.435 1.00 0.00 N ATOM 169 CA ALA A 13 -8.250 -9.299 5.640 1.00 0.00 C ATOM 170 C ALA A 13 -7.605 -8.267 6.567 1.00 0.00 C ATOM 171 O ALA A 13 -6.423 -7.956 6.428 1.00 0.00 O ATOM 172 CB ALA A 13 -9.372 -8.698 4.791 1.00 0.00 C ATOM 0 H ALA A 13 -9.697 -10.728 6.146 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.480 -9.657 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.976 -7.876 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.778 -9.464 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.162 -8.326 5.443 1.00 0.00 H new ATOM 178 N VAL A 14 -8.409 -7.764 7.492 1.00 0.00 N ATOM 179 CA VAL A 14 -7.931 -6.773 8.442 1.00 0.00 C ATOM 180 C VAL A 14 -6.573 -7.214 8.991 1.00 0.00 C ATOM 181 O VAL A 14 -5.636 -6.419 9.050 1.00 0.00 O ATOM 182 CB VAL A 14 -8.976 -6.552 9.537 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.466 -5.565 10.590 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.304 -6.080 8.941 1.00 0.00 C ATOM 0 H VAL A 14 -9.389 -8.024 7.604 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.786 -5.811 7.951 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.152 -7.508 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.228 -5.425 11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.558 -5.958 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.248 -4.608 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.029 -5.931 9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.151 -5.141 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.679 -6.832 8.247 1.00 0.00 H new ATOM 194 N ALA A 15 -6.509 -8.479 9.379 1.00 0.00 N ATOM 195 CA ALA A 15 -5.281 -9.034 9.922 1.00 0.00 C ATOM 196 C ALA A 15 -4.137 -8.792 8.935 1.00 0.00 C ATOM 197 O ALA A 15 -3.055 -8.359 9.329 1.00 0.00 O ATOM 198 CB ALA A 15 -5.483 -10.520 10.226 1.00 0.00 C ATOM 0 H ALA A 15 -7.288 -9.136 9.328 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.019 -8.542 10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.562 -10.937 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.287 -10.637 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.745 -11.047 9.308 1.00 0.00 H new ATOM 204 N ALA A 16 -4.416 -9.081 7.673 1.00 0.00 N ATOM 205 CA ALA A 16 -3.423 -8.899 6.627 1.00 0.00 C ATOM 206 C ALA A 16 -3.049 -7.418 6.537 1.00 0.00 C ATOM 207 O ALA A 16 -1.932 -7.079 6.151 1.00 0.00 O ATOM 208 CB ALA A 16 -3.969 -9.444 5.306 1.00 0.00 C ATOM 0 H ALA A 16 -5.315 -9.440 7.351 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.514 -9.455 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.225 -9.308 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.192 -10.505 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.880 -8.907 5.040 1.00 0.00 H new ATOM 214 N VAL A 17 -4.005 -6.576 6.899 1.00 0.00 N ATOM 215 CA VAL A 17 -3.790 -5.139 6.864 1.00 0.00 C ATOM 216 C VAL A 17 -3.021 -4.712 8.116 1.00 0.00 C ATOM 217 O VAL A 17 -2.393 -3.655 8.132 1.00 0.00 O ATOM 218 CB VAL A 17 -5.128 -4.413 6.708 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.945 -2.898 6.817 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.806 -4.791 5.389 1.00 0.00 C ATOM 0 H VAL A 17 -4.931 -6.861 7.218 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.184 -4.865 6.001 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.779 -4.731 7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.911 -2.406 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.525 -2.651 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.268 -2.556 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.755 -4.261 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.160 -4.515 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.987 -5.866 5.368 1.00 0.00 H new ATOM 230 N VAL A 18 -3.095 -5.557 9.134 1.00 0.00 N ATOM 231 CA VAL A 18 -2.413 -5.280 10.387 1.00 0.00 C ATOM 232 C VAL A 18 -0.907 -5.470 10.196 1.00 0.00 C ATOM 233 O VAL A 18 -0.123 -4.566 10.481 1.00 0.00 O ATOM 234 CB VAL A 18 -2.990 -6.157 11.501 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.200 -5.982 12.800 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.475 -5.861 11.717 1.00 0.00 C ATOM 0 H VAL A 18 -3.617 -6.433 9.117 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.574 -4.245 10.689 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.898 -7.198 11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.630 -6.616 13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.161 -6.265 12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.246 -4.940 13.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.861 -6.497 12.514 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.601 -4.815 11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.023 -6.060 10.796 1.00 0.00 H new ATOM 246 N GLY A 19 -0.548 -6.651 9.714 1.00 0.00 N ATOM 247 CA GLY A 19 0.850 -6.971 9.482 1.00 0.00 C ATOM 248 C GLY A 19 1.564 -5.821 8.769 1.00 0.00 C ATOM 249 O GLY A 19 1.389 -5.626 7.568 1.00 0.00 O ATOM 0 H GLY A 19 -1.201 -7.398 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.343 -7.176 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.925 -7.878 8.882 1.00 0.00 H new ATOM 253 N GLY A 20 2.355 -5.089 9.541 1.00 0.00 N ATOM 254 CA GLY A 20 3.096 -3.963 8.999 1.00 0.00 C ATOM 255 C GLY A 20 2.558 -2.638 9.543 1.00 0.00 C ATOM 256 O GLY A 20 2.410 -1.671 8.798 1.00 0.00 O ATOM 0 H GLY A 20 2.498 -5.254 10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.152 -4.062 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.027 -3.968 7.911 1.00 0.00 H new ATOM 260 N VAL A 21 2.279 -2.637 10.838 1.00 0.00 N ATOM 261 CA VAL A 21 1.760 -1.447 11.491 1.00 0.00 C ATOM 262 C VAL A 21 2.696 -0.269 11.213 1.00 0.00 C ATOM 263 O VAL A 21 2.326 0.669 10.508 1.00 0.00 O ATOM 264 CB VAL A 21 1.562 -1.714 12.985 1.00 0.00 C ATOM 265 CG1 VAL A 21 1.147 -0.437 13.719 1.00 0.00 C ATOM 266 CG2 VAL A 21 0.544 -2.833 13.212 1.00 0.00 C ATOM 0 H VAL A 21 2.403 -3.441 11.453 1.00 0.00 H new ATOM 0 HA VAL A 21 0.781 -1.186 11.089 1.00 0.00 H new ATOM 0 HB VAL A 21 2.517 -2.042 13.397 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.013 -0.654 14.779 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.922 0.320 13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.210 -0.066 13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.422 -3.002 14.282 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.414 -2.547 12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.898 -3.748 12.738 1.00 0.00 H new ATOM 276 N VAL A 22 3.890 -0.356 11.780 1.00 0.00 N ATOM 277 CA VAL A 22 4.881 0.691 11.602 1.00 0.00 C ATOM 278 C VAL A 22 4.978 1.049 10.118 1.00 0.00 C ATOM 279 O VAL A 22 5.052 2.224 9.762 1.00 0.00 O ATOM 280 CB VAL A 22 6.219 0.252 12.200 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.342 1.210 11.795 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.126 0.130 13.722 1.00 0.00 C ATOM 0 H VAL A 22 4.194 -1.136 12.363 1.00 0.00 H new ATOM 0 HA VAL A 22 4.583 1.594 12.135 1.00 0.00 H new ATOM 0 HB VAL A 22 6.457 -0.733 11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.282 0.875 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.433 1.225 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.112 2.213 12.154 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.091 -0.183 14.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.853 1.095 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.368 -0.609 13.982 1.00 0.00 H new ATOM 292 N ALA A 23 4.975 0.013 9.291 1.00 0.00 N ATOM 293 CA ALA A 23 5.062 0.203 7.853 1.00 0.00 C ATOM 294 C ALA A 23 3.989 1.200 7.409 1.00 0.00 C ATOM 295 O ALA A 23 4.270 2.118 6.641 1.00 0.00 O ATOM 296 CB ALA A 23 4.928 -1.149 7.150 1.00 0.00 C ATOM 0 H ALA A 23 4.914 -0.960 9.590 1.00 0.00 H new ATOM 0 HA ALA A 23 6.032 0.618 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.993 -1.006 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.730 -1.811 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.965 -1.595 7.399 1.00 0.00 H new ATOM 302 N VAL A 24 2.782 0.985 7.912 1.00 0.00 N ATOM 303 CA VAL A 24 1.667 1.853 7.577 1.00 0.00 C ATOM 304 C VAL A 24 1.876 3.221 8.229 1.00 0.00 C ATOM 305 O VAL A 24 1.376 4.231 7.736 1.00 0.00 O ATOM 306 CB VAL A 24 0.348 1.192 7.985 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.205 1.818 9.268 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.677 1.267 6.852 1.00 0.00 C ATOM 0 H VAL A 24 2.552 0.222 8.549 1.00 0.00 H new ATOM 0 HA VAL A 24 1.617 2.011 6.500 1.00 0.00 H new ATOM 0 HB VAL A 24 0.549 0.139 8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.142 1.330 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.515 1.689 10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.382 2.881 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.605 0.790 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.871 2.311 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.286 0.754 5.973 1.00 0.00 H new ATOM 318 N GLY A 25 2.617 3.210 9.328 1.00 0.00 N ATOM 319 CA GLY A 25 2.899 4.438 10.052 1.00 0.00 C ATOM 320 C GLY A 25 3.802 5.363 9.233 1.00 0.00 C ATOM 321 O GLY A 25 3.448 6.512 8.975 1.00 0.00 O ATOM 0 H GLY A 25 3.030 2.371 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.965 4.949 10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.379 4.202 11.002 1.00 0.00 H new ATOM 325 N THR A 26 4.951 4.826 8.847 1.00 0.00 N ATOM 326 CA THR A 26 5.907 5.589 8.063 1.00 0.00 C ATOM 327 C THR A 26 5.289 6.004 6.726 1.00 0.00 C ATOM 328 O THR A 26 5.386 7.163 6.327 1.00 0.00 O ATOM 329 CB THR A 26 7.174 4.746 7.911 1.00 0.00 C ATOM 330 OG1 THR A 26 7.800 4.826 9.189 1.00 0.00 O ATOM 331 CG2 THR A 26 8.190 5.380 6.959 1.00 0.00 C ATOM 0 H THR A 26 5.241 3.872 9.063 1.00 0.00 H new ATOM 0 HA THR A 26 6.177 6.519 8.564 1.00 0.00 H new ATOM 0 HB THR A 26 6.907 3.754 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.630 4.305 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.070 4.741 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.742 5.493 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.483 6.359 7.339 1.00 0.00 H new ATOM 339 N VAL A 27 4.669 5.034 6.071 1.00 0.00 N ATOM 340 CA VAL A 27 4.036 5.283 4.787 1.00 0.00 C ATOM 341 C VAL A 27 3.047 6.443 4.928 1.00 0.00 C ATOM 342 O VAL A 27 3.064 7.378 4.129 1.00 0.00 O ATOM 343 CB VAL A 27 3.383 4.001 4.267 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.617 4.263 2.969 1.00 0.00 C ATOM 345 CG2 VAL A 27 4.423 2.895 4.076 1.00 0.00 C ATOM 0 H VAL A 27 4.591 4.074 6.405 1.00 0.00 H new ATOM 0 HA VAL A 27 4.779 5.576 4.046 1.00 0.00 H new ATOM 0 HB VAL A 27 2.667 3.662 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.163 3.335 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.838 5.003 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.304 4.637 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.933 1.995 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.174 3.222 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.905 2.680 5.030 1.00 0.00 H new ATOM 355 N LEU A 28 2.209 6.343 5.949 1.00 0.00 N ATOM 356 CA LEU A 28 1.215 7.372 6.205 1.00 0.00 C ATOM 357 C LEU A 28 1.920 8.711 6.431 1.00 0.00 C ATOM 358 O LEU A 28 1.671 9.677 5.712 1.00 0.00 O ATOM 359 CB LEU A 28 0.299 6.957 7.357 1.00 0.00 C ATOM 360 CG LEU A 28 -0.844 7.919 7.685 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.994 7.765 6.688 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.312 7.743 9.131 1.00 0.00 C ATOM 0 H LEU A 28 2.198 5.565 6.609 1.00 0.00 H new ATOM 0 HA LEU A 28 0.564 7.496 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.129 5.983 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.908 6.830 8.252 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.470 8.938 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.793 8.460 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.634 7.980 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.375 6.744 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.125 8.439 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.663 6.721 9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.482 7.943 9.809 1.00 0.00 H new ATOM 374 N VAL A 29 2.787 8.725 7.434 1.00 0.00 N ATOM 375 CA VAL A 29 3.529 9.930 7.764 1.00 0.00 C ATOM 376 C VAL A 29 4.019 10.591 6.474 1.00 0.00 C ATOM 377 O VAL A 29 4.045 11.817 6.372 1.00 0.00 O ATOM 378 CB VAL A 29 4.665 9.595 8.733 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.666 10.749 8.824 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.117 9.233 10.115 1.00 0.00 C ATOM 0 H VAL A 29 2.992 7.922 8.028 1.00 0.00 H new ATOM 0 HA VAL A 29 2.886 10.648 8.273 1.00 0.00 H new ATOM 0 HB VAL A 29 5.193 8.724 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.463 10.485 9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.092 10.940 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.157 11.645 9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.945 8.999 10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.553 10.076 10.515 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.462 8.366 10.031 1.00 0.00 H new ATOM 390 N ALA A 30 4.395 9.751 5.522 1.00 0.00 N ATOM 391 CA ALA A 30 4.883 10.239 4.243 1.00 0.00 C ATOM 392 C ALA A 30 3.718 10.838 3.453 1.00 0.00 C ATOM 393 O ALA A 30 3.788 11.983 3.010 1.00 0.00 O ATOM 394 CB ALA A 30 5.572 9.099 3.491 1.00 0.00 C ATOM 0 H ALA A 30 4.372 8.735 5.610 1.00 0.00 H new ATOM 0 HA ALA A 30 5.622 11.027 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.938 9.465 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.410 8.728 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.860 8.291 3.323 1.00 0.00 H new ATOM 400 N LEU A 31 2.674 10.036 3.300 1.00 0.00 N ATOM 401 CA LEU A 31 1.496 10.473 2.571 1.00 0.00 C ATOM 402 C LEU A 31 1.082 11.862 3.063 1.00 0.00 C ATOM 403 O LEU A 31 1.037 12.813 2.284 1.00 0.00 O ATOM 404 CB LEU A 31 0.383 9.428 2.674 1.00 0.00 C ATOM 405 CG LEU A 31 -0.502 9.265 1.437 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.060 8.063 0.601 1.00 0.00 C ATOM 407 CD2 LEU A 31 -1.979 9.181 1.826 1.00 0.00 C ATOM 0 H LEU A 31 2.620 9.086 3.669 1.00 0.00 H new ATOM 0 HA LEU A 31 1.719 10.564 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.838 8.464 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.254 9.687 3.520 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.384 10.151 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.706 7.970 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.971 8.205 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.130 7.156 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.586 9.065 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.134 8.324 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.271 10.093 2.346 1.00 0.00 H new ATOM 419 N SER A 32 0.792 11.935 4.353 1.00 0.00 N ATOM 420 CA SER A 32 0.384 13.191 4.959 1.00 0.00 C ATOM 421 C SER A 32 1.552 14.179 4.952 1.00 0.00 C ATOM 422 O SER A 32 1.557 15.134 4.176 1.00 0.00 O ATOM 423 CB SER A 32 -0.121 12.976 6.387 1.00 0.00 C ATOM 424 OG SER A 32 -0.690 14.161 6.936 1.00 0.00 O ATOM 0 H SER A 32 0.831 11.144 4.996 1.00 0.00 H new ATOM 0 HA SER A 32 -0.436 13.603 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.866 12.180 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.704 12.644 7.017 1.00 0.00 H new ATOM 0 HG SER A 32 -1.002 13.982 7.848 1.00 0.00 H new ATOM 430 N ALA A 33 2.514 13.916 5.824 1.00 0.00 N ATOM 431 CA ALA A 33 3.685 14.770 5.928 1.00 0.00 C ATOM 432 C ALA A 33 4.779 14.243 4.997 1.00 0.00 C ATOM 433 O ALA A 33 5.565 13.380 5.383 1.00 0.00 O ATOM 434 CB ALA A 33 4.142 14.835 7.386 1.00 0.00 C ATOM 0 H ALA A 33 2.506 13.123 6.465 1.00 0.00 H new ATOM 0 HA ALA A 33 3.447 15.787 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.020 15.476 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.340 15.243 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.392 13.833 7.734 1.00 0.00 H new ATOM 440 N MET A 34 4.794 14.786 3.788 1.00 0.00 N ATOM 441 CA MET A 34 5.779 14.382 2.799 1.00 0.00 C ATOM 442 C MET A 34 7.110 15.102 3.024 1.00 0.00 C ATOM 443 O MET A 34 7.680 15.666 2.091 1.00 0.00 O ATOM 444 CB MET A 34 5.256 14.701 1.397 1.00 0.00 C ATOM 445 CG MET A 34 5.943 13.831 0.344 1.00 0.00 C ATOM 446 SD MET A 34 4.840 13.551 -1.032 1.00 0.00 S ATOM 447 CE MET A 34 6.001 13.649 -2.385 1.00 0.00 C ATOM 0 H MET A 34 4.140 15.502 3.471 1.00 0.00 H new ATOM 0 HA MET A 34 5.947 13.310 2.898 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.179 14.539 1.361 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.427 15.754 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.854 14.318 -0.003 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.238 12.878 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.475 13.495 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.473 14.631 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 34 6.764 12.880 -2.266 1.00 0.00 H new ATOM 457 N GLY A 35 7.566 15.061 4.267 1.00 0.00 N ATOM 458 CA GLY A 35 8.819 15.703 4.626 1.00 0.00 C ATOM 459 C GLY A 35 8.584 17.141 5.094 1.00 0.00 C ATOM 460 O GLY A 35 9.223 18.069 4.602 1.00 0.00 O ATOM 0 H GLY A 35 7.090 14.593 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.309 15.135 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.492 15.701 3.768 1.00 0.00 H new ATOM 464 N PHE A 36 7.665 17.279 6.038 1.00 0.00 N ATOM 465 CA PHE A 36 7.338 18.588 6.577 1.00 0.00 C ATOM 466 C PHE A 36 6.294 18.478 7.690 1.00 0.00 C ATOM 467 O PHE A 36 5.948 17.376 8.114 1.00 0.00 O ATOM 468 CB PHE A 36 6.755 19.413 5.427 1.00 0.00 C ATOM 469 CG PHE A 36 7.663 20.550 4.954 1.00 0.00 C ATOM 470 CD1 PHE A 36 7.936 21.592 5.784 1.00 0.00 C ATOM 471 CD2 PHE A 36 8.197 20.518 3.704 1.00 0.00 C ATOM 472 CE1 PHE A 36 8.779 22.647 5.344 1.00 0.00 C ATOM 473 CE2 PHE A 36 9.040 21.573 3.264 1.00 0.00 C ATOM 474 CZ PHE A 36 9.313 22.615 4.094 1.00 0.00 C ATOM 0 H PHE A 36 7.137 16.506 6.443 1.00 0.00 H new ATOM 0 HA PHE A 36 8.231 19.050 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.551 18.751 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.799 19.832 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.512 21.617 6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.980 19.690 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.996 23.475 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.464 21.548 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.954 23.417 3.760 1.00 0.00 H new ATOM 484 N THR A 37 5.821 19.634 8.131 1.00 0.00 N ATOM 485 CA THR A 37 4.823 19.681 9.187 1.00 0.00 C ATOM 486 C THR A 37 3.543 18.972 8.742 1.00 0.00 C ATOM 487 O THR A 37 3.592 18.037 7.944 1.00 0.00 O ATOM 488 CB THR A 37 4.605 21.147 9.567 1.00 0.00 C ATOM 489 OG1 THR A 37 3.846 21.084 10.771 1.00 0.00 O ATOM 490 CG2 THR A 37 3.687 21.876 8.584 1.00 0.00 C ATOM 0 H THR A 37 6.110 20.546 7.777 1.00 0.00 H new ATOM 0 HA THR A 37 5.161 19.147 10.075 1.00 0.00 H new ATOM 0 HB THR A 37 5.567 21.658 9.611 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.131 21.753 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.565 22.912 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.127 21.850 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.713 21.386 8.564 1.00 0.00 H new ATOM 498 N SER A 38 2.427 19.444 9.278 1.00 0.00 N ATOM 499 CA SER A 38 1.135 18.866 8.946 1.00 0.00 C ATOM 500 C SER A 38 0.125 19.171 10.054 1.00 0.00 C ATOM 501 O SER A 38 -1.081 19.187 9.813 1.00 0.00 O ATOM 502 CB SER A 38 1.246 17.356 8.730 1.00 0.00 C ATOM 503 OG SER A 38 0.079 16.666 9.169 1.00 0.00 O ATOM 0 H SER A 38 2.390 20.220 9.939 1.00 0.00 H new ATOM 0 HA SER A 38 0.789 19.314 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.411 17.152 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.115 16.976 9.267 1.00 0.00 H new ATOM 0 HG SER A 38 0.189 15.705 9.012 1.00 0.00 H new ATOM 509 N VAL A 39 0.655 19.406 11.246 1.00 0.00 N ATOM 510 CA VAL A 39 -0.184 19.709 12.392 1.00 0.00 C ATOM 511 C VAL A 39 -1.074 20.910 12.063 1.00 0.00 C ATOM 512 O VAL A 39 -2.277 20.758 11.857 1.00 0.00 O ATOM 513 CB VAL A 39 0.683 19.929 13.633 1.00 0.00 C ATOM 514 CG1 VAL A 39 -0.137 20.533 14.775 1.00 0.00 C ATOM 515 CG2 VAL A 39 1.356 18.626 14.069 1.00 0.00 C ATOM 0 H VAL A 39 1.656 19.392 11.442 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.841 18.869 12.617 1.00 0.00 H new ATOM 0 HB VAL A 39 1.467 20.640 13.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.503 20.679 15.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.547 21.493 14.461 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.953 19.858 15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.966 18.810 14.953 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.593 17.883 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.988 18.255 13.262 1.00 0.00 H new ATOM 525 N GLY A 40 -0.447 22.077 12.025 1.00 0.00 N ATOM 526 CA GLY A 40 -1.166 23.303 11.725 1.00 0.00 C ATOM 527 C GLY A 40 -2.278 23.051 10.705 1.00 0.00 C ATOM 528 O GLY A 40 -3.460 23.129 11.037 1.00 0.00 O ATOM 0 H GLY A 40 0.551 22.199 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.593 23.711 12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.473 24.049 11.336 1.00 0.00 H new ATOM 532 N ILE A 41 -1.860 22.754 9.483 1.00 0.00 N ATOM 533 CA ILE A 41 -2.806 22.490 8.412 1.00 0.00 C ATOM 534 C ILE A 41 -3.956 21.637 8.952 1.00 0.00 C ATOM 535 O ILE A 41 -5.124 21.938 8.709 1.00 0.00 O ATOM 536 CB ILE A 41 -2.093 21.870 7.209 1.00 0.00 C ATOM 537 CG1 ILE A 41 -1.424 20.548 7.589 1.00 0.00 C ATOM 538 CG2 ILE A 41 -1.102 22.858 6.590 1.00 0.00 C ATOM 539 CD1 ILE A 41 -0.805 19.875 6.362 1.00 0.00 C ATOM 0 H ILE A 41 -0.879 22.690 9.211 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.242 23.421 8.050 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.840 21.645 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.652 20.729 8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.158 19.882 8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.609 22.392 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.635 23.749 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.355 23.138 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.336 18.937 6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.583 19.674 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.054 20.534 5.926 1.00 0.00 H new ATOM 551 N ALA A 42 -3.585 20.590 9.674 1.00 0.00 N ATOM 552 CA ALA A 42 -4.571 19.692 10.251 1.00 0.00 C ATOM 553 C ALA A 42 -5.614 20.509 11.016 1.00 0.00 C ATOM 554 O ALA A 42 -6.814 20.355 10.793 1.00 0.00 O ATOM 555 CB ALA A 42 -3.868 18.664 11.140 1.00 0.00 C ATOM 0 H ALA A 42 -2.615 20.343 9.873 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.093 19.142 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.608 17.991 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.160 18.090 10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.334 19.178 11.939 1.00 0.00 H new ATOM 561 N ALA A 43 -5.118 21.361 11.901 1.00 0.00 N ATOM 562 CA ALA A 43 -5.992 22.202 12.700 1.00 0.00 C ATOM 563 C ALA A 43 -6.859 23.056 11.773 1.00 0.00 C ATOM 564 O ALA A 43 -7.995 23.388 12.110 1.00 0.00 O ATOM 565 CB ALA A 43 -5.151 23.051 13.656 1.00 0.00 C ATOM 0 H ALA A 43 -4.122 21.487 12.082 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.660 21.592 13.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.807 23.682 14.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.576 22.398 14.313 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.470 23.679 13.082 1.00 0.00 H new ATOM 571 N SER A 44 -6.291 23.387 10.623 1.00 0.00 N ATOM 572 CA SER A 44 -6.998 24.195 9.644 1.00 0.00 C ATOM 573 C SER A 44 -8.122 23.378 9.003 1.00 0.00 C ATOM 574 O SER A 44 -9.213 23.894 8.768 1.00 0.00 O ATOM 575 CB SER A 44 -6.043 24.719 8.569 1.00 0.00 C ATOM 576 OG SER A 44 -5.735 26.098 8.754 1.00 0.00 O ATOM 0 H SER A 44 -5.349 23.110 10.347 1.00 0.00 H new ATOM 0 HA SER A 44 -7.430 25.054 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.122 24.136 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.491 24.576 7.586 1.00 0.00 H new ATOM 0 HG SER A 44 -5.122 26.394 8.049 1.00 0.00 H new ATOM 582 N SER A 45 -7.816 22.116 8.739 1.00 0.00 N ATOM 583 CA SER A 45 -8.786 21.223 8.130 1.00 0.00 C ATOM 584 C SER A 45 -9.896 20.896 9.131 1.00 0.00 C ATOM 585 O SER A 45 -11.066 21.186 8.883 1.00 0.00 O ATOM 586 CB SER A 45 -8.118 19.937 7.639 1.00 0.00 C ATOM 587 OG SER A 45 -8.161 19.821 6.219 1.00 0.00 O ATOM 0 H SER A 45 -6.910 21.691 8.936 1.00 0.00 H new ATOM 0 HA SER A 45 -9.221 21.727 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.081 19.917 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.614 19.077 8.088 1.00 0.00 H new ATOM 0 HG SER A 45 -7.723 18.988 5.945 1.00 0.00 H new ATOM 593 N ILE A 46 -9.491 20.296 10.241 1.00 0.00 N ATOM 594 CA ILE A 46 -10.437 19.927 11.280 1.00 0.00 C ATOM 595 C ILE A 46 -11.282 21.147 11.652 1.00 0.00 C ATOM 596 O ILE A 46 -12.486 21.029 11.873 1.00 0.00 O ATOM 597 CB ILE A 46 -9.708 19.298 12.469 1.00 0.00 C ATOM 598 CG1 ILE A 46 -10.679 18.518 13.358 1.00 0.00 C ATOM 599 CG2 ILE A 46 -8.932 20.355 13.258 1.00 0.00 C ATOM 600 CD1 ILE A 46 -10.677 17.031 12.999 1.00 0.00 C ATOM 0 H ILE A 46 -8.520 20.056 10.443 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.124 19.163 10.916 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.980 18.584 12.084 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.401 18.644 14.404 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.685 18.922 13.245 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.423 19.881 14.098 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.196 20.827 12.607 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.623 21.110 13.632 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.375 16.500 13.646 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.979 16.907 11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.675 16.625 13.136 1.00 0.00 H new ATOM 612 N ALA A 47 -10.617 22.292 11.709 1.00 0.00 N ATOM 613 CA ALA A 47 -11.292 23.532 12.050 1.00 0.00 C ATOM 614 C ALA A 47 -12.321 23.863 10.968 1.00 0.00 C ATOM 615 O ALA A 47 -13.499 24.058 11.265 1.00 0.00 O ATOM 616 CB ALA A 47 -10.256 24.645 12.229 1.00 0.00 C ATOM 0 H ALA A 47 -9.618 22.386 11.525 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.828 23.430 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.762 25.576 12.485 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.567 24.375 13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.700 24.778 11.301 1.00 0.00 H new ATOM 622 N ALA A 48 -11.840 23.915 9.735 1.00 0.00 N ATOM 623 CA ALA A 48 -12.703 24.218 8.606 1.00 0.00 C ATOM 624 C ALA A 48 -13.938 23.316 8.658 1.00 0.00 C ATOM 625 O ALA A 48 -15.065 23.804 8.721 1.00 0.00 O ATOM 626 CB ALA A 48 -11.917 24.057 7.303 1.00 0.00 C ATOM 0 H ALA A 48 -10.863 23.752 9.493 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.047 25.251 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.565 24.284 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.068 24.740 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.557 23.031 7.219 1.00 0.00 H new ATOM 632 N LYS A 49 -13.683 22.016 8.628 1.00 0.00 N ATOM 633 CA LYS A 49 -14.760 21.042 8.671 1.00 0.00 C ATOM 634 C LYS A 49 -15.539 21.091 7.355 1.00 0.00 C ATOM 635 O LYS A 49 -15.806 22.170 6.828 1.00 0.00 O ATOM 636 CB LYS A 49 -15.631 21.259 9.910 1.00 0.00 C ATOM 637 CG LYS A 49 -16.657 20.134 10.063 1.00 0.00 C ATOM 638 CD LYS A 49 -16.806 19.724 11.529 1.00 0.00 C ATOM 639 CE LYS A 49 -16.823 18.201 11.674 1.00 0.00 C ATOM 640 NZ LYS A 49 -17.808 17.789 12.698 1.00 0.00 N ATOM 0 H LYS A 49 -12.747 21.615 8.574 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.357 20.034 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.001 21.305 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.145 22.217 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.621 20.461 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.349 19.273 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.984 20.139 12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.727 20.142 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.071 17.741 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.831 17.845 11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.807 16.753 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.555 18.212 13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.756 18.112 12.418 1.00 0.00 H new ATOM 823 N ALA A 64 -10.204 10.736 -0.735 1.00 0.00 N ATOM 824 CA ALA A 64 -9.492 11.898 -1.240 1.00 0.00 C ATOM 825 C ALA A 64 -9.564 11.910 -2.768 1.00 0.00 C ATOM 826 O ALA A 64 -10.255 11.088 -3.368 1.00 0.00 O ATOM 827 CB ALA A 64 -8.052 11.879 -0.724 1.00 0.00 C ATOM 0 HA ALA A 64 -9.954 12.817 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.518 12.751 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.056 11.901 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.555 10.972 -1.067 1.00 0.00 H new ATOM 833 N GLY A 65 -8.839 12.852 -3.355 1.00 0.00 N ATOM 834 CA GLY A 65 -8.812 12.982 -4.802 1.00 0.00 C ATOM 835 C GLY A 65 -7.452 12.564 -5.364 1.00 0.00 C ATOM 836 O GLY A 65 -7.244 11.397 -5.694 1.00 0.00 O ATOM 0 H GLY A 65 -8.266 13.532 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.596 12.365 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.024 14.014 -5.082 1.00 0.00 H new ATOM 840 N SER A 66 -6.560 13.540 -5.456 1.00 0.00 N ATOM 841 CA SER A 66 -5.225 13.288 -5.973 1.00 0.00 C ATOM 842 C SER A 66 -4.628 12.052 -5.298 1.00 0.00 C ATOM 843 O SER A 66 -4.055 11.191 -5.965 1.00 0.00 O ATOM 844 CB SER A 66 -4.316 14.500 -5.763 1.00 0.00 C ATOM 845 OG SER A 66 -4.335 15.382 -6.882 1.00 0.00 O ATOM 0 H SER A 66 -6.736 14.507 -5.181 1.00 0.00 H new ATOM 0 HA SER A 66 -5.301 13.107 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.632 15.040 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.295 14.161 -5.586 1.00 0.00 H new ATOM 0 HG SER A 66 -3.744 16.144 -6.708 1.00 0.00 H new ATOM 851 N LEU A 67 -4.781 12.003 -3.983 1.00 0.00 N ATOM 852 CA LEU A 67 -4.263 10.887 -3.210 1.00 0.00 C ATOM 853 C LEU A 67 -4.627 9.576 -3.909 1.00 0.00 C ATOM 854 O LEU A 67 -3.792 8.682 -4.034 1.00 0.00 O ATOM 855 CB LEU A 67 -4.749 10.967 -1.761 1.00 0.00 C ATOM 856 CG LEU A 67 -3.911 11.834 -0.820 1.00 0.00 C ATOM 857 CD1 LEU A 67 -2.493 11.278 -0.680 1.00 0.00 C ATOM 858 CD2 LEU A 67 -3.912 13.295 -1.273 1.00 0.00 C ATOM 0 H LEU A 67 -5.256 12.718 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.175 10.931 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.770 11.348 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.787 9.956 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.368 11.804 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.918 11.913 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.537 10.266 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.012 11.258 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.309 13.889 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.494 13.365 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.934 13.673 -1.279 1.00 0.00 H new ATOM 870 N VAL A 68 -5.876 9.502 -4.346 1.00 0.00 N ATOM 871 CA VAL A 68 -6.361 8.315 -5.029 1.00 0.00 C ATOM 872 C VAL A 68 -5.346 7.894 -6.093 1.00 0.00 C ATOM 873 O VAL A 68 -4.957 6.728 -6.159 1.00 0.00 O ATOM 874 CB VAL A 68 -7.755 8.575 -5.603 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.315 7.319 -6.274 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.707 9.088 -4.521 1.00 0.00 C ATOM 0 H VAL A 68 -6.567 10.245 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.461 7.486 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.664 9.350 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.307 7.531 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.654 7.015 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.384 6.515 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.691 9.265 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.789 8.346 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.320 10.020 -4.108 1.00 0.00 H new ATOM 886 N ALA A 69 -4.944 8.865 -6.900 1.00 0.00 N ATOM 887 CA ALA A 69 -3.981 8.609 -7.958 1.00 0.00 C ATOM 888 C ALA A 69 -2.687 8.071 -7.344 1.00 0.00 C ATOM 889 O ALA A 69 -2.057 7.174 -7.903 1.00 0.00 O ATOM 890 CB ALA A 69 -3.756 9.889 -8.764 1.00 0.00 C ATOM 0 H ALA A 69 -5.268 9.831 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.359 7.853 -8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.034 9.697 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.700 10.213 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.374 10.670 -8.107 1.00 0.00 H new ATOM 896 N ILE A 70 -2.329 8.642 -6.204 1.00 0.00 N ATOM 897 CA ILE A 70 -1.121 8.231 -5.508 1.00 0.00 C ATOM 898 C ILE A 70 -1.260 6.771 -5.074 1.00 0.00 C ATOM 899 O ILE A 70 -0.308 5.998 -5.170 1.00 0.00 O ATOM 900 CB ILE A 70 -0.814 9.189 -4.356 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.407 10.567 -4.881 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.241 8.599 -3.418 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.597 11.642 -3.809 1.00 0.00 C ATOM 0 H ILE A 70 -2.854 9.386 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.260 8.285 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.725 9.323 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.636 10.545 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.002 10.816 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.441 9.300 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.125 7.660 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.160 8.416 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.300 12.611 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.645 11.678 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.019 11.404 -2.942 1.00 0.00 H new ATOM 915 N LEU A 71 -2.453 6.437 -4.605 1.00 0.00 N ATOM 916 CA LEU A 71 -2.728 5.083 -4.155 1.00 0.00 C ATOM 917 C LEU A 71 -2.584 4.119 -5.335 1.00 0.00 C ATOM 918 O LEU A 71 -2.075 3.011 -5.176 1.00 0.00 O ATOM 919 CB LEU A 71 -4.094 5.014 -3.468 1.00 0.00 C ATOM 920 CG LEU A 71 -4.099 4.461 -2.041 1.00 0.00 C ATOM 921 CD1 LEU A 71 -5.290 5.003 -1.248 1.00 0.00 C ATOM 922 CD2 LEU A 71 -4.062 2.932 -2.046 1.00 0.00 C ATOM 0 H LEU A 71 -3.240 7.081 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.002 4.777 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.521 6.017 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.755 4.398 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.194 4.803 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.270 4.595 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.231 6.090 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.218 4.710 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.066 2.565 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.936 2.549 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.157 2.592 -2.549 1.00 0.00 H new ATOM 934 N GLN A 72 -3.041 4.577 -6.491 1.00 0.00 N ATOM 935 CA GLN A 72 -2.969 3.769 -7.696 1.00 0.00 C ATOM 936 C GLN A 72 -1.512 3.443 -8.031 1.00 0.00 C ATOM 937 O GLN A 72 -1.115 2.279 -8.021 1.00 0.00 O ATOM 938 CB GLN A 72 -3.657 4.471 -8.869 1.00 0.00 C ATOM 939 CG GLN A 72 -5.149 4.138 -8.908 1.00 0.00 C ATOM 940 CD GLN A 72 -5.643 4.002 -10.350 1.00 0.00 C ATOM 941 OE1 GLN A 72 -4.899 3.671 -11.259 1.00 0.00 O ATOM 942 NE2 GLN A 72 -6.935 4.274 -10.508 1.00 0.00 N ATOM 0 H GLN A 72 -3.462 5.497 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.498 2.833 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.524 5.549 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.188 4.167 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.332 3.209 -8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.713 4.919 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.501 4.545 -9.704 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.360 4.211 -11.433 1.00 0.00 H new ATOM 951 N SER A 73 -0.755 4.492 -8.319 1.00 0.00 N ATOM 952 CA SER A 73 0.649 4.332 -8.655 1.00 0.00 C ATOM 953 C SER A 73 1.383 3.623 -7.515 1.00 0.00 C ATOM 954 O SER A 73 1.800 2.475 -7.660 1.00 0.00 O ATOM 955 CB SER A 73 1.303 5.684 -8.948 1.00 0.00 C ATOM 956 OG SER A 73 2.005 5.680 -10.188 1.00 0.00 O ATOM 0 H SER A 73 -1.088 5.456 -8.326 1.00 0.00 H new ATOM 0 HA SER A 73 0.717 3.723 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.538 6.460 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.992 5.936 -8.142 1.00 0.00 H new ATOM 0 HG SER A 73 2.407 6.561 -10.339 1.00 0.00 H new ATOM 962 N VAL A 74 1.519 4.337 -6.407 1.00 0.00 N ATOM 963 CA VAL A 74 2.195 3.791 -5.243 1.00 0.00 C ATOM 964 C VAL A 74 1.709 2.360 -5.001 1.00 0.00 C ATOM 965 O VAL A 74 2.472 1.408 -5.154 1.00 0.00 O ATOM 966 CB VAL A 74 1.982 4.707 -4.037 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.652 4.131 -2.787 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.487 6.122 -4.327 1.00 0.00 C ATOM 0 H VAL A 74 1.172 5.289 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 74 3.271 3.744 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 74 0.910 4.767 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.486 4.801 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.225 3.153 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.723 4.028 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.324 6.753 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.552 6.088 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.946 6.534 -5.178 1.00 0.00 H new ATOM 978 N GLY A 75 0.442 2.255 -4.627 1.00 0.00 N ATOM 979 CA GLY A 75 -0.154 0.957 -4.362 1.00 0.00 C ATOM 980 C GLY A 75 0.382 -0.100 -5.329 1.00 0.00 C ATOM 981 O GLY A 75 0.714 -1.211 -4.918 1.00 0.00 O ATOM 0 H GLY A 75 -0.188 3.047 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.059 0.658 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.238 1.025 -4.456 1.00 0.00 H new ATOM 985 N ALA A 76 0.450 0.282 -6.596 1.00 0.00 N ATOM 986 CA ALA A 76 0.940 -0.619 -7.624 1.00 0.00 C ATOM 987 C ALA A 76 2.414 -0.931 -7.363 1.00 0.00 C ATOM 988 O ALA A 76 2.785 -2.090 -7.183 1.00 0.00 O ATOM 989 CB ALA A 76 0.711 0.005 -9.002 1.00 0.00 C ATOM 0 H ALA A 76 0.174 1.204 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 76 0.394 -1.562 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.079 -0.671 -9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.355 0.179 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.246 0.953 -9.066 1.00 0.00 H new ATOM 995 N ALA A 77 3.216 0.124 -7.351 1.00 0.00 N ATOM 996 CA ALA A 77 4.642 -0.023 -7.114 1.00 0.00 C ATOM 997 C ALA A 77 4.862 -0.797 -5.813 1.00 0.00 C ATOM 998 O ALA A 77 5.314 -1.941 -5.836 1.00 0.00 O ATOM 999 CB ALA A 77 5.300 1.358 -7.089 1.00 0.00 C ATOM 0 H ALA A 77 2.905 1.084 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 77 5.108 -0.592 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.370 1.248 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.140 1.854 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.859 1.957 -6.292 1.00 0.00 H new ATOM 1005 N GLY A 78 4.532 -0.143 -4.709 1.00 0.00 N ATOM 1006 CA GLY A 78 4.688 -0.755 -3.401 1.00 0.00 C ATOM 1007 C GLY A 78 4.339 -2.244 -3.448 1.00 0.00 C ATOM 1008 O GLY A 78 5.191 -3.094 -3.190 1.00 0.00 O ATOM 0 H GLY A 78 4.157 0.805 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.714 -0.629 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.045 -0.250 -2.680 1.00 0.00 H new ATOM 1012 N LEU A 79 3.085 -2.515 -3.779 1.00 0.00 N ATOM 1013 CA LEU A 79 2.613 -3.887 -3.863 1.00 0.00 C ATOM 1014 C LEU A 79 3.557 -4.693 -4.758 1.00 0.00 C ATOM 1015 O LEU A 79 3.858 -5.849 -4.466 1.00 0.00 O ATOM 1016 CB LEU A 79 1.153 -3.924 -4.319 1.00 0.00 C ATOM 1017 CG LEU A 79 0.402 -5.231 -4.058 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.860 -4.982 -3.230 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.094 -5.958 -5.368 1.00 0.00 C ATOM 0 H LEU A 79 2.381 -1.808 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 79 2.628 -4.356 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.617 -3.115 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.122 -3.718 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 79 1.048 -5.885 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.375 -5.927 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.585 -4.540 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.520 -4.301 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.440 -6.884 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.524 -5.321 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.026 -6.188 -5.884 1.00 0.00 H new ATOM 1031 N SER A 80 3.998 -4.050 -5.829 1.00 0.00 N ATOM 1032 CA SER A 80 4.901 -4.693 -6.769 1.00 0.00 C ATOM 1033 C SER A 80 6.230 -5.012 -6.081 1.00 0.00 C ATOM 1034 O SER A 80 6.453 -6.141 -5.647 1.00 0.00 O ATOM 1035 CB SER A 80 5.137 -3.811 -7.997 1.00 0.00 C ATOM 1036 OG SER A 80 4.498 -4.333 -9.159 1.00 0.00 O ATOM 0 H SER A 80 3.747 -3.090 -6.067 1.00 0.00 H new ATOM 0 HA SER A 80 4.441 -5.622 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.764 -2.806 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.208 -3.724 -8.180 1.00 0.00 H new ATOM 0 HG SER A 80 4.671 -3.741 -9.921 1.00 0.00 H new ATOM 1042 N VAL A 81 7.079 -3.997 -6.003 1.00 0.00 N ATOM 1043 CA VAL A 81 8.380 -4.156 -5.376 1.00 0.00 C ATOM 1044 C VAL A 81 8.237 -5.035 -4.132 1.00 0.00 C ATOM 1045 O VAL A 81 9.170 -5.747 -3.761 1.00 0.00 O ATOM 1046 CB VAL A 81 8.984 -2.783 -5.072 1.00 0.00 C ATOM 1047 CG1 VAL A 81 9.209 -1.986 -6.359 1.00 0.00 C ATOM 1048 CG2 VAL A 81 8.108 -2.004 -4.090 1.00 0.00 C ATOM 0 H VAL A 81 6.891 -3.062 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 81 9.072 -4.659 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 81 9.955 -2.940 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.639 -1.015 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.892 -2.532 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.257 -1.843 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.560 -1.032 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.117 -1.862 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.022 -2.562 -3.158 1.00 0.00 H new ATOM 1058 N THR A 82 7.064 -4.958 -3.523 1.00 0.00 N ATOM 1059 CA THR A 82 6.787 -5.738 -2.329 1.00 0.00 C ATOM 1060 C THR A 82 6.844 -7.234 -2.644 1.00 0.00 C ATOM 1061 O THR A 82 7.857 -7.886 -2.395 1.00 0.00 O ATOM 1062 CB THR A 82 5.437 -5.286 -1.770 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.741 -4.096 -1.047 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.894 -6.241 -0.705 1.00 0.00 C ATOM 0 H THR A 82 6.293 -4.367 -3.834 1.00 0.00 H new ATOM 0 HA THR A 82 7.544 -5.570 -1.563 1.00 0.00 H new ATOM 0 HB THR A 82 4.717 -5.204 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.897 -3.362 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.934 -5.873 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.762 -7.232 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.598 -6.299 0.125 1.00 0.00 H new ATOM 1072 N SER A 83 5.744 -7.734 -3.187 1.00 0.00 N ATOM 1073 CA SER A 83 5.656 -9.141 -3.539 1.00 0.00 C ATOM 1074 C SER A 83 6.904 -9.565 -4.316 1.00 0.00 C ATOM 1075 O SER A 83 7.498 -10.602 -4.026 1.00 0.00 O ATOM 1076 CB SER A 83 4.397 -9.425 -4.360 1.00 0.00 C ATOM 1077 OG SER A 83 3.240 -9.550 -3.538 1.00 0.00 O ATOM 0 H SER A 83 4.906 -7.190 -3.392 1.00 0.00 H new ATOM 0 HA SER A 83 5.595 -9.721 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.245 -8.621 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.536 -10.343 -4.932 1.00 0.00 H new ATOM 0 HG SER A 83 2.457 -9.729 -4.100 1.00 0.00 H new ATOM 1083 N LYS A 84 7.265 -8.741 -5.289 1.00 0.00 N ATOM 1084 CA LYS A 84 8.431 -9.018 -6.110 1.00 0.00 C ATOM 1085 C LYS A 84 9.632 -9.297 -5.204 1.00 0.00 C ATOM 1086 O LYS A 84 10.322 -10.301 -5.375 1.00 0.00 O ATOM 1087 CB LYS A 84 8.665 -7.882 -7.108 1.00 0.00 C ATOM 1088 CG LYS A 84 8.494 -8.374 -8.547 1.00 0.00 C ATOM 1089 CD LYS A 84 7.106 -8.022 -9.086 1.00 0.00 C ATOM 1090 CE LYS A 84 6.571 -9.134 -9.991 1.00 0.00 C ATOM 1091 NZ LYS A 84 7.332 -9.181 -11.259 1.00 0.00 N ATOM 0 H LYS A 84 6.770 -7.881 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 84 8.270 -9.912 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.965 -7.070 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.668 -7.477 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.259 -7.926 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.640 -9.453 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.419 -7.862 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.155 -7.087 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.645 -10.094 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.515 -8.964 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.956 -9.941 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.240 -8.270 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.335 -9.365 -11.055 1.00 0.00 H new ATOM 1105 N VAL A 85 9.845 -8.391 -4.261 1.00 0.00 N ATOM 1106 CA VAL A 85 10.951 -8.528 -3.329 1.00 0.00 C ATOM 1107 C VAL A 85 10.770 -9.810 -2.514 1.00 0.00 C ATOM 1108 O VAL A 85 11.747 -10.417 -2.079 1.00 0.00 O ATOM 1109 CB VAL A 85 11.058 -7.275 -2.457 1.00 0.00 C ATOM 1110 CG1 VAL A 85 11.840 -7.565 -1.174 1.00 0.00 C ATOM 1111 CG2 VAL A 85 11.689 -6.118 -3.234 1.00 0.00 C ATOM 0 H VAL A 85 9.271 -7.560 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 85 11.895 -8.616 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 85 10.048 -6.977 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.901 -6.658 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.331 -8.344 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.845 -7.900 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.753 -5.240 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.689 -6.402 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.075 -5.886 -4.104 1.00 0.00 H new ATOM 1121 N ILE A 86 9.512 -10.184 -2.331 1.00 0.00 N ATOM 1122 CA ILE A 86 9.190 -11.383 -1.575 1.00 0.00 C ATOM 1123 C ILE A 86 9.503 -12.616 -2.426 1.00 0.00 C ATOM 1124 O ILE A 86 10.370 -13.414 -2.074 1.00 0.00 O ATOM 1125 CB ILE A 86 7.744 -11.330 -1.077 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.588 -10.299 0.043 1.00 0.00 C ATOM 1127 CG2 ILE A 86 7.260 -12.717 -0.651 1.00 0.00 C ATOM 1128 CD1 ILE A 86 8.248 -10.788 1.334 1.00 0.00 C ATOM 0 H ILE A 86 8.704 -9.678 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 86 9.809 -11.447 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 86 7.109 -11.007 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.036 -9.354 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.530 -10.108 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.230 -12.651 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.312 -13.397 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.893 -13.092 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.123 -10.037 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.781 -11.721 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.311 -10.955 1.159 1.00 0.00 H new ATOM 1140 N GLY A 87 8.779 -12.733 -3.530 1.00 0.00 N ATOM 1141 CA GLY A 87 8.968 -13.855 -4.433 1.00 0.00 C ATOM 1142 C GLY A 87 7.637 -14.298 -5.044 1.00 0.00 C ATOM 1143 O GLY A 87 7.279 -15.472 -4.974 1.00 0.00 O ATOM 0 H GLY A 87 8.061 -12.069 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.661 -13.575 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.420 -14.688 -3.894 1.00 0.00 H new ATOM 1147 N GLY A 88 6.941 -13.334 -5.628 1.00 0.00 N ATOM 1148 CA GLY A 88 5.657 -13.610 -6.250 1.00 0.00 C ATOM 1149 C GLY A 88 4.852 -14.616 -5.424 1.00 0.00 C ATOM 1150 O GLY A 88 4.487 -15.681 -5.920 1.00 0.00 O ATOM 0 H GLY A 88 7.242 -12.361 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.092 -12.684 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.813 -14.001 -7.255 1.00 0.00 H new ATOM 1154 N PHE A 89 4.600 -14.243 -4.178 1.00 0.00 N ATOM 1155 CA PHE A 89 3.846 -15.099 -3.279 1.00 0.00 C ATOM 1156 C PHE A 89 4.206 -16.571 -3.492 1.00 0.00 C ATOM 1157 O PHE A 89 3.525 -17.280 -4.231 1.00 0.00 O ATOM 1158 CB PHE A 89 2.365 -14.896 -3.605 1.00 0.00 C ATOM 1159 CG PHE A 89 1.581 -14.164 -2.514 1.00 0.00 C ATOM 1160 CD1 PHE A 89 1.146 -14.841 -1.418 1.00 0.00 C ATOM 1161 CD2 PHE A 89 1.320 -12.835 -2.640 1.00 0.00 C ATOM 1162 CE1 PHE A 89 0.419 -14.161 -0.406 1.00 0.00 C ATOM 1163 CE2 PHE A 89 0.593 -12.155 -1.628 1.00 0.00 C ATOM 1164 CZ PHE A 89 0.157 -12.833 -0.532 1.00 0.00 C ATOM 0 H PHE A 89 4.905 -13.359 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 89 4.074 -14.843 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.282 -14.335 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.905 -15.869 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.354 -15.896 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.666 -12.297 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.074 -14.699 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.386 -11.100 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.397 -12.316 0.238 1.00 0.00 H new ATOM 1174 N ALA A 90 5.276 -16.986 -2.831 1.00 0.00 N ATOM 1175 CA ALA A 90 5.735 -18.361 -2.938 1.00 0.00 C ATOM 1176 C ALA A 90 6.803 -18.622 -1.874 1.00 0.00 C ATOM 1177 O ALA A 90 7.215 -17.705 -1.165 1.00 0.00 O ATOM 1178 CB ALA A 90 6.251 -18.617 -4.356 1.00 0.00 C ATOM 0 H ALA A 90 5.839 -16.395 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 90 4.914 -19.055 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.595 -19.648 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.447 -18.445 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.078 -17.940 -4.570 1.00 0.00 H new ATOM 1184 N GLY A 91 7.220 -19.877 -1.796 1.00 0.00 N ATOM 1185 CA GLY A 91 8.232 -20.271 -0.830 1.00 0.00 C ATOM 1186 C GLY A 91 7.888 -19.749 0.567 1.00 0.00 C ATOM 1187 O GLY A 91 6.755 -19.344 0.821 1.00 0.00 O ATOM 0 H GLY A 91 6.876 -20.635 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.314 -21.358 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.204 -19.885 -1.138 1.00 0.00 H new ATOM 1191 N THR A 92 8.887 -19.777 1.437 1.00 0.00 N ATOM 1192 CA THR A 92 8.705 -19.313 2.801 1.00 0.00 C ATOM 1193 C THR A 92 8.023 -17.943 2.812 1.00 0.00 C ATOM 1194 O THR A 92 6.942 -17.789 3.377 1.00 0.00 O ATOM 1195 CB THR A 92 10.073 -19.316 3.488 1.00 0.00 C ATOM 1196 OG1 THR A 92 10.402 -20.697 3.600 1.00 0.00 O ATOM 1197 CG2 THR A 92 10.001 -18.831 4.938 1.00 0.00 C ATOM 0 H THR A 92 9.826 -20.114 1.223 1.00 0.00 H new ATOM 0 HA THR A 92 8.043 -19.975 3.359 1.00 0.00 H new ATOM 0 HB THR A 92 10.762 -18.684 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.276 -20.791 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.998 -18.853 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.616 -17.812 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.338 -19.483 5.507 1.00 0.00 H new