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 -16:sc= -0.063 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 27:sc= 0.541 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= -0.0231 X(o=-0.023,f=-0.092) 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 74:sc= 1.31 USER MOD Single : A 83 SER OG : rot 79:sc= 0.0109 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 -10.167 -12.866 1.424 1.00 0.00 N ATOM 117 CA SER A 9 -10.135 -13.077 2.861 1.00 0.00 C ATOM 118 C SER A 9 -11.233 -12.253 3.536 1.00 0.00 C ATOM 119 O SER A 9 -11.594 -11.180 3.053 1.00 0.00 O ATOM 120 CB SER A 9 -8.766 -12.715 3.440 1.00 0.00 C ATOM 121 OG SER A 9 -8.186 -11.594 2.779 1.00 0.00 O ATOM 0 HA SER A 9 -10.313 -14.135 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.868 -12.496 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.098 -13.572 3.354 1.00 0.00 H new ATOM 0 HG SER A 9 -8.651 -11.438 1.930 1.00 0.00 H new ATOM 127 N GLY A 10 -11.732 -12.784 4.642 1.00 0.00 N ATOM 128 CA GLY A 10 -12.782 -12.110 5.388 1.00 0.00 C ATOM 129 C GLY A 10 -12.196 -11.291 6.539 1.00 0.00 C ATOM 130 O GLY A 10 -11.362 -10.413 6.320 1.00 0.00 O ATOM 0 H GLY A 10 -11.429 -13.673 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.345 -11.457 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.484 -12.846 5.781 1.00 0.00 H new ATOM 134 N ARG A 11 -12.655 -11.606 7.741 1.00 0.00 N ATOM 135 CA ARG A 11 -12.186 -10.910 8.928 1.00 0.00 C ATOM 136 C ARG A 11 -10.659 -10.953 9.001 1.00 0.00 C ATOM 137 O ARG A 11 -10.013 -9.925 9.196 1.00 0.00 O ATOM 138 CB ARG A 11 -12.769 -11.533 10.198 1.00 0.00 C ATOM 139 CG ARG A 11 -13.745 -10.573 10.882 1.00 0.00 C ATOM 140 CD ARG A 11 -14.326 -11.195 12.152 1.00 0.00 C ATOM 141 NE ARG A 11 -14.192 -10.252 13.285 1.00 0.00 N ATOM 142 CZ ARG A 11 -14.628 -10.507 14.537 1.00 0.00 C ATOM 143 NH1 ARG A 11 -15.231 -11.679 14.828 1.00 0.00 N ATOM 144 NH2 ARG A 11 -14.456 -9.592 15.473 1.00 0.00 N ATOM 0 H ARG A 11 -13.347 -12.334 7.919 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.520 -9.875 8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.282 -12.462 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.962 -11.788 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.233 -9.643 11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.552 -10.319 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.376 -11.444 11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.808 -12.127 12.380 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.742 -9.354 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.360 -12.381 14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.557 -11.863 15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.000 -8.709 15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.779 -9.768 16.424 1.00 0.00 H new ATOM 158 N ALA A 12 -10.125 -12.155 8.840 1.00 0.00 N ATOM 159 CA ALA A 12 -8.685 -12.347 8.885 1.00 0.00 C ATOM 160 C ALA A 12 -8.003 -11.247 8.069 1.00 0.00 C ATOM 161 O ALA A 12 -6.983 -10.701 8.487 1.00 0.00 O ATOM 162 CB ALA A 12 -8.340 -13.749 8.379 1.00 0.00 C ATOM 0 H ALA A 12 -10.664 -13.006 8.678 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.319 -12.272 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.260 -13.893 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.825 -14.493 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.689 -13.861 7.352 1.00 0.00 H new ATOM 168 N ALA A 13 -8.593 -10.956 6.919 1.00 0.00 N ATOM 169 CA ALA A 13 -8.055 -9.932 6.040 1.00 0.00 C ATOM 170 C ALA A 13 -7.594 -8.738 6.877 1.00 0.00 C ATOM 171 O ALA A 13 -6.452 -8.296 6.758 1.00 0.00 O ATOM 172 CB ALA A 13 -9.110 -9.544 5.002 1.00 0.00 C ATOM 0 H ALA A 13 -9.439 -11.412 6.576 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.188 -10.309 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.706 -8.776 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.382 -10.421 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.995 -9.159 5.509 1.00 0.00 H new ATOM 178 N VAL A 14 -8.505 -8.250 7.706 1.00 0.00 N ATOM 179 CA VAL A 14 -8.206 -7.116 8.563 1.00 0.00 C ATOM 180 C VAL A 14 -6.841 -7.325 9.222 1.00 0.00 C ATOM 181 O VAL A 14 -5.979 -6.450 9.164 1.00 0.00 O ATOM 182 CB VAL A 14 -9.334 -6.914 9.578 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.957 -5.853 10.613 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.645 -6.555 8.875 1.00 0.00 C ATOM 0 H VAL A 14 -9.451 -8.620 7.802 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.147 -6.200 7.975 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.484 -7.856 10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.776 -5.729 11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.060 -6.167 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.766 -4.905 10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.430 -6.417 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.514 -5.632 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.926 -7.360 8.196 1.00 0.00 H new ATOM 194 N ALA A 15 -6.686 -8.491 9.832 1.00 0.00 N ATOM 195 CA ALA A 15 -5.441 -8.827 10.501 1.00 0.00 C ATOM 196 C ALA A 15 -4.279 -8.658 9.519 1.00 0.00 C ATOM 197 O ALA A 15 -3.230 -8.127 9.880 1.00 0.00 O ATOM 198 CB ALA A 15 -5.529 -10.247 11.062 1.00 0.00 C ATOM 0 H ALA A 15 -7.403 -9.215 9.877 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.263 -8.156 11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.595 -10.499 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.351 -10.306 11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.704 -10.950 10.247 1.00 0.00 H new ATOM 204 N ALA A 16 -4.506 -9.120 8.299 1.00 0.00 N ATOM 205 CA ALA A 16 -3.491 -9.028 7.263 1.00 0.00 C ATOM 206 C ALA A 16 -3.135 -7.557 7.034 1.00 0.00 C ATOM 207 O ALA A 16 -1.988 -7.232 6.732 1.00 0.00 O ATOM 208 CB ALA A 16 -3.996 -9.710 5.990 1.00 0.00 C ATOM 0 H ALA A 16 -5.378 -9.559 8.004 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.582 -9.544 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.234 -9.641 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.207 -10.759 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.907 -9.217 5.650 1.00 0.00 H new ATOM 214 N VAL A 17 -4.140 -6.708 7.186 1.00 0.00 N ATOM 215 CA VAL A 17 -3.948 -5.280 6.999 1.00 0.00 C ATOM 216 C VAL A 17 -3.344 -4.680 8.271 1.00 0.00 C ATOM 217 O VAL A 17 -2.767 -3.595 8.236 1.00 0.00 O ATOM 218 CB VAL A 17 -5.270 -4.622 6.598 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.125 -3.100 6.527 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.783 -5.186 5.272 1.00 0.00 C ATOM 0 H VAL A 17 -5.090 -6.981 7.437 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.247 -5.093 6.186 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.007 -4.853 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.079 -2.657 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.826 -2.717 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.367 -2.841 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.724 -4.701 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.048 -4.999 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.943 -6.260 5.371 1.00 0.00 H new ATOM 230 N VAL A 18 -3.497 -5.414 9.363 1.00 0.00 N ATOM 231 CA VAL A 18 -2.974 -4.969 10.643 1.00 0.00 C ATOM 232 C VAL A 18 -1.457 -5.164 10.665 1.00 0.00 C ATOM 233 O VAL A 18 -0.704 -4.196 10.766 1.00 0.00 O ATOM 234 CB VAL A 18 -3.687 -5.699 11.783 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.903 -5.573 13.091 1.00 0.00 C ATOM 236 CG2 VAL A 18 -5.119 -5.189 11.951 1.00 0.00 C ATOM 0 H VAL A 18 -3.976 -6.314 9.388 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.167 -3.906 10.785 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.737 -6.756 11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.432 -6.101 13.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.912 -6.008 12.964 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.806 -4.520 13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.603 -5.725 12.768 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.101 -4.123 12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.675 -5.355 11.028 1.00 0.00 H new ATOM 246 N GLY A 19 -1.052 -6.422 10.569 1.00 0.00 N ATOM 247 CA GLY A 19 0.362 -6.757 10.577 1.00 0.00 C ATOM 248 C GLY A 19 1.160 -5.784 9.706 1.00 0.00 C ATOM 249 O GLY A 19 0.960 -5.723 8.494 1.00 0.00 O ATOM 0 H GLY A 19 -1.679 -7.222 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.740 -6.730 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.501 -7.775 10.212 1.00 0.00 H new ATOM 253 N GLY A 20 2.046 -5.047 10.359 1.00 0.00 N ATOM 254 CA GLY A 20 2.875 -4.080 9.660 1.00 0.00 C ATOM 255 C GLY A 20 2.537 -2.652 10.094 1.00 0.00 C ATOM 256 O GLY A 20 2.666 -1.714 9.309 1.00 0.00 O ATOM 0 H GLY A 20 2.208 -5.100 11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.927 -4.285 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.729 -4.181 8.584 1.00 0.00 H new ATOM 260 N VAL A 21 2.109 -2.533 11.342 1.00 0.00 N ATOM 261 CA VAL A 21 1.751 -1.235 11.890 1.00 0.00 C ATOM 262 C VAL A 21 2.764 -0.190 11.419 1.00 0.00 C ATOM 263 O VAL A 21 2.413 0.735 10.688 1.00 0.00 O ATOM 264 CB VAL A 21 1.645 -1.321 13.414 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.339 -2.000 13.835 1.00 0.00 C ATOM 266 CG2 VAL A 21 2.855 -2.045 14.007 1.00 0.00 C ATOM 0 H VAL A 21 2.002 -3.314 11.990 1.00 0.00 H new ATOM 0 HA VAL A 21 0.771 -0.925 11.527 1.00 0.00 H new ATOM 0 HB VAL A 21 1.636 -0.305 13.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.288 -2.049 14.923 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.507 -1.426 13.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.305 -3.009 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.755 -2.093 15.091 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.908 -3.056 13.603 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.765 -1.503 13.750 1.00 0.00 H new ATOM 276 N VAL A 22 4.001 -0.373 11.858 1.00 0.00 N ATOM 277 CA VAL A 22 5.068 0.543 11.490 1.00 0.00 C ATOM 278 C VAL A 22 5.017 0.800 9.983 1.00 0.00 C ATOM 279 O VAL A 22 5.215 1.928 9.535 1.00 0.00 O ATOM 280 CB VAL A 22 6.416 -0.010 11.957 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.572 0.835 11.418 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.471 -0.104 13.483 1.00 0.00 C ATOM 0 H VAL A 22 4.288 -1.141 12.465 1.00 0.00 H new ATOM 0 HA VAL A 22 4.935 1.504 11.988 1.00 0.00 H new ATOM 0 HB VAL A 22 6.522 -1.018 11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.518 0.420 11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.550 0.828 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.472 1.859 11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.440 -0.500 13.788 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.332 0.888 13.914 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.681 -0.767 13.835 1.00 0.00 H new ATOM 292 N ALA A 23 4.751 -0.266 9.242 1.00 0.00 N ATOM 293 CA ALA A 23 4.672 -0.170 7.794 1.00 0.00 C ATOM 294 C ALA A 23 3.697 0.946 7.414 1.00 0.00 C ATOM 295 O ALA A 23 4.020 1.805 6.594 1.00 0.00 O ATOM 296 CB ALA A 23 4.262 -1.525 7.214 1.00 0.00 C ATOM 0 H ALA A 23 4.588 -1.200 9.617 1.00 0.00 H new ATOM 0 HA ALA A 23 5.645 0.084 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.203 -1.453 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.002 -2.277 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.289 -1.812 7.612 1.00 0.00 H new ATOM 302 N VAL A 24 2.524 0.899 8.028 1.00 0.00 N ATOM 303 CA VAL A 24 1.500 1.895 7.764 1.00 0.00 C ATOM 304 C VAL A 24 1.927 3.233 8.373 1.00 0.00 C ATOM 305 O VAL A 24 1.443 4.287 7.965 1.00 0.00 O ATOM 306 CB VAL A 24 0.147 1.406 8.286 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.152 -0.010 7.790 1.00 0.00 C ATOM 308 CG2 VAL A 24 0.091 1.476 9.813 1.00 0.00 C ATOM 0 H VAL A 24 2.260 0.186 8.708 1.00 0.00 H new ATOM 0 HA VAL A 24 1.384 2.048 6.691 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.624 2.068 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.119 -0.334 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.175 -0.017 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.624 -0.690 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.881 1.123 10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.876 0.848 10.235 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.238 2.507 10.136 1.00 0.00 H new ATOM 318 N GLY A 25 2.830 3.146 9.338 1.00 0.00 N ATOM 319 CA GLY A 25 3.328 4.336 10.007 1.00 0.00 C ATOM 320 C GLY A 25 4.231 5.149 9.077 1.00 0.00 C ATOM 321 O GLY A 25 3.933 6.301 8.767 1.00 0.00 O ATOM 0 H GLY A 25 3.230 2.270 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.490 4.951 10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.883 4.050 10.901 1.00 0.00 H new ATOM 325 N THR A 26 5.319 4.517 8.660 1.00 0.00 N ATOM 326 CA THR A 26 6.268 5.168 7.772 1.00 0.00 C ATOM 327 C THR A 26 5.591 5.545 6.453 1.00 0.00 C ATOM 328 O THR A 26 5.785 6.649 5.945 1.00 0.00 O ATOM 329 CB THR A 26 7.466 4.234 7.595 1.00 0.00 C ATOM 330 OG1 THR A 26 8.191 4.364 8.815 1.00 0.00 O ATOM 331 CG2 THR A 26 8.443 4.730 6.527 1.00 0.00 C ATOM 0 H THR A 26 5.564 3.562 8.920 1.00 0.00 H new ATOM 0 HA THR A 26 6.628 6.105 8.196 1.00 0.00 H new ATOM 0 HB THR A 26 7.113 3.238 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.985 3.790 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.275 4.031 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.929 4.801 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.822 5.712 6.809 1.00 0.00 H new ATOM 339 N VAL A 27 4.812 4.608 5.935 1.00 0.00 N ATOM 340 CA VAL A 27 4.106 4.828 4.684 1.00 0.00 C ATOM 341 C VAL A 27 3.178 6.036 4.833 1.00 0.00 C ATOM 342 O VAL A 27 3.125 6.894 3.954 1.00 0.00 O ATOM 343 CB VAL A 27 3.367 3.555 4.269 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.199 3.878 3.334 1.00 0.00 C ATOM 345 CG2 VAL A 27 4.324 2.551 3.622 1.00 0.00 C ATOM 0 H VAL A 27 4.654 3.694 6.359 1.00 0.00 H new ATOM 0 HA VAL A 27 4.810 5.055 3.883 1.00 0.00 H new ATOM 0 HB VAL A 27 2.959 3.097 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.691 2.955 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.497 4.539 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.576 4.371 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.773 1.655 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.775 2.997 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.107 2.284 4.332 1.00 0.00 H new ATOM 355 N LEU A 28 2.470 6.064 5.953 1.00 0.00 N ATOM 356 CA LEU A 28 1.548 7.152 6.228 1.00 0.00 C ATOM 357 C LEU A 28 2.327 8.465 6.318 1.00 0.00 C ATOM 358 O LEU A 28 2.138 9.361 5.497 1.00 0.00 O ATOM 359 CB LEU A 28 0.714 6.845 7.474 1.00 0.00 C ATOM 360 CG LEU A 28 -0.163 7.987 7.992 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.547 7.474 8.397 1.00 0.00 C ATOM 362 CD2 LEU A 28 0.528 8.735 9.133 1.00 0.00 C ATOM 0 H LEU A 28 2.517 5.350 6.680 1.00 0.00 H new ATOM 0 HA LEU A 28 0.833 7.261 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.073 5.991 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.390 6.541 8.273 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.309 8.701 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.151 8.305 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.035 7.023 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.442 6.728 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.117 9.541 9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.724 8.045 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.470 9.152 8.777 1.00 0.00 H new ATOM 374 N VAL A 29 3.188 8.538 7.323 1.00 0.00 N ATOM 375 CA VAL A 29 3.997 9.727 7.531 1.00 0.00 C ATOM 376 C VAL A 29 4.485 10.249 6.178 1.00 0.00 C ATOM 377 O VAL A 29 4.535 11.458 5.957 1.00 0.00 O ATOM 378 CB VAL A 29 5.139 9.420 8.501 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.253 10.462 8.384 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.627 9.324 9.939 1.00 0.00 C ATOM 0 H VAL A 29 3.343 7.793 8.002 1.00 0.00 H new ATOM 0 HA VAL A 29 3.403 10.518 7.990 1.00 0.00 H new ATOM 0 HB VAL A 29 5.557 8.451 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.052 10.220 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.648 10.460 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.854 11.449 8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.459 9.105 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.170 10.271 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.886 8.528 10.009 1.00 0.00 H new ATOM 390 N ALA A 30 4.833 9.312 5.308 1.00 0.00 N ATOM 391 CA ALA A 30 5.315 9.662 3.983 1.00 0.00 C ATOM 392 C ALA A 30 4.207 10.389 3.218 1.00 0.00 C ATOM 393 O ALA A 30 4.417 11.492 2.714 1.00 0.00 O ATOM 394 CB ALA A 30 5.790 8.399 3.262 1.00 0.00 C ATOM 0 H ALA A 30 4.791 8.310 5.495 1.00 0.00 H new ATOM 0 HA ALA A 30 6.167 10.338 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.152 8.662 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.597 7.937 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.961 7.697 3.173 1.00 0.00 H new ATOM 400 N LEU A 31 3.053 9.742 3.154 1.00 0.00 N ATOM 401 CA LEU A 31 1.912 10.312 2.458 1.00 0.00 C ATOM 402 C LEU A 31 1.490 11.606 3.157 1.00 0.00 C ATOM 403 O LEU A 31 1.711 12.698 2.635 1.00 0.00 O ATOM 404 CB LEU A 31 0.787 9.282 2.339 1.00 0.00 C ATOM 405 CG LEU A 31 0.785 8.436 1.065 1.00 0.00 C ATOM 406 CD1 LEU A 31 1.956 7.450 1.059 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.559 7.730 0.877 1.00 0.00 C ATOM 0 H LEU A 31 2.883 8.828 3.573 1.00 0.00 H new ATOM 0 HA LEU A 31 2.181 10.574 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.843 8.612 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.167 9.806 2.405 1.00 0.00 H new ATOM 0 HG LEU A 31 0.920 9.102 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.931 6.861 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.895 8.000 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.877 6.786 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.533 7.135 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.750 7.078 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.353 8.473 0.804 1.00 0.00 H new ATOM 419 N SER A 32 0.889 11.441 4.326 1.00 0.00 N ATOM 420 CA SER A 32 0.434 12.583 5.101 1.00 0.00 C ATOM 421 C SER A 32 1.504 13.676 5.101 1.00 0.00 C ATOM 422 O SER A 32 1.285 14.764 4.569 1.00 0.00 O ATOM 423 CB SER A 32 0.093 12.174 6.536 1.00 0.00 C ATOM 424 OG SER A 32 -0.414 13.267 7.296 1.00 0.00 O ATOM 0 H SER A 32 0.707 10.534 4.755 1.00 0.00 H new ATOM 0 HA SER A 32 -0.473 12.971 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.644 11.371 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.985 11.777 7.022 1.00 0.00 H new ATOM 0 HG SER A 32 -0.621 12.965 8.205 1.00 0.00 H new ATOM 430 N ALA A 33 2.638 13.350 5.702 1.00 0.00 N ATOM 431 CA ALA A 33 3.743 14.291 5.778 1.00 0.00 C ATOM 432 C ALA A 33 4.458 14.340 4.427 1.00 0.00 C ATOM 433 O ALA A 33 3.979 13.775 3.445 1.00 0.00 O ATOM 434 CB ALA A 33 4.679 13.888 6.919 1.00 0.00 C ATOM 0 H ALA A 33 2.816 12.447 6.141 1.00 0.00 H new ATOM 0 HA ALA A 33 3.378 15.295 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.508 14.594 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.130 13.896 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.067 12.886 6.735 1.00 0.00 H new ATOM 440 N MET A 34 5.595 15.022 4.419 1.00 0.00 N ATOM 441 CA MET A 34 6.381 15.152 3.204 1.00 0.00 C ATOM 442 C MET A 34 7.738 15.797 3.496 1.00 0.00 C ATOM 443 O MET A 34 8.768 15.327 3.016 1.00 0.00 O ATOM 444 CB MET A 34 5.617 16.007 2.191 1.00 0.00 C ATOM 445 CG MET A 34 5.846 15.502 0.765 1.00 0.00 C ATOM 446 SD MET A 34 4.875 16.462 -0.385 1.00 0.00 S ATOM 447 CE MET A 34 5.899 16.328 -1.842 1.00 0.00 C ATOM 0 H MET A 34 5.990 15.490 5.235 1.00 0.00 H new ATOM 0 HA MET A 34 6.553 14.156 2.796 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.552 15.986 2.422 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.939 17.045 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.903 15.574 0.510 1.00 0.00 H new ATOM 0 HG3 MET A 34 5.572 14.449 0.695 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.436 16.875 -2.663 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.883 16.748 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 34 6.003 15.279 -2.118 1.00 0.00 H new ATOM 457 N GLY A 35 7.694 16.862 4.283 1.00 0.00 N ATOM 458 CA GLY A 35 8.907 17.576 4.644 1.00 0.00 C ATOM 459 C GLY A 35 8.731 18.320 5.969 1.00 0.00 C ATOM 460 O GLY A 35 9.467 18.078 6.924 1.00 0.00 O ATOM 0 H GLY A 35 6.838 17.248 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.736 16.873 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.164 18.284 3.856 1.00 0.00 H new ATOM 464 N PHE A 36 7.751 19.212 5.984 1.00 0.00 N ATOM 465 CA PHE A 36 7.469 19.994 7.176 1.00 0.00 C ATOM 466 C PHE A 36 6.128 20.720 7.050 1.00 0.00 C ATOM 467 O PHE A 36 6.049 21.927 7.275 1.00 0.00 O ATOM 468 CB PHE A 36 8.587 21.031 7.306 1.00 0.00 C ATOM 469 CG PHE A 36 8.484 22.186 6.307 1.00 0.00 C ATOM 470 CD1 PHE A 36 8.604 21.945 4.974 1.00 0.00 C ATOM 471 CD2 PHE A 36 8.272 23.453 6.753 1.00 0.00 C ATOM 472 CE1 PHE A 36 8.508 23.016 4.048 1.00 0.00 C ATOM 473 CE2 PHE A 36 8.177 24.525 5.827 1.00 0.00 C ATOM 474 CZ PHE A 36 8.296 24.284 4.493 1.00 0.00 C ATOM 0 H PHE A 36 7.143 19.410 5.190 1.00 0.00 H new ATOM 0 HA PHE A 36 7.418 19.340 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.576 21.437 8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.548 20.533 7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.772 20.939 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.176 23.644 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.603 22.824 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.010 25.532 6.181 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.222 25.099 3.788 1.00 0.00 H new ATOM 484 N THR A 37 5.108 19.955 6.692 1.00 0.00 N ATOM 485 CA THR A 37 3.775 20.510 6.534 1.00 0.00 C ATOM 486 C THR A 37 2.716 19.462 6.884 1.00 0.00 C ATOM 487 O THR A 37 2.403 18.595 6.069 1.00 0.00 O ATOM 488 CB THR A 37 3.652 21.046 5.107 1.00 0.00 C ATOM 489 OG1 THR A 37 4.156 22.376 5.191 1.00 0.00 O ATOM 490 CG2 THR A 37 2.196 21.225 4.672 1.00 0.00 C ATOM 0 H THR A 37 5.178 18.954 6.507 1.00 0.00 H new ATOM 0 HA THR A 37 3.607 21.338 7.223 1.00 0.00 H new ATOM 0 HB THR A 37 4.155 20.366 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.800 22.436 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.165 21.608 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.683 20.264 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.701 21.931 5.339 1.00 0.00 H new ATOM 498 N SER A 38 2.193 19.577 8.096 1.00 0.00 N ATOM 499 CA SER A 38 1.176 18.650 8.563 1.00 0.00 C ATOM 500 C SER A 38 0.860 18.918 10.035 1.00 0.00 C ATOM 501 O SER A 38 -0.282 18.768 10.467 1.00 0.00 O ATOM 502 CB SER A 38 1.622 17.200 8.371 1.00 0.00 C ATOM 503 OG SER A 38 0.618 16.411 7.738 1.00 0.00 O ATOM 0 H SER A 38 2.454 20.298 8.769 1.00 0.00 H new ATOM 0 HA SER A 38 0.274 18.805 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.532 17.177 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.867 16.765 9.340 1.00 0.00 H new ATOM 0 HG SER A 38 0.942 15.492 7.632 1.00 0.00 H new ATOM 509 N VAL A 39 1.893 19.311 10.767 1.00 0.00 N ATOM 510 CA VAL A 39 1.740 19.602 12.182 1.00 0.00 C ATOM 511 C VAL A 39 0.714 20.723 12.361 1.00 0.00 C ATOM 512 O VAL A 39 -0.484 20.462 12.460 1.00 0.00 O ATOM 513 CB VAL A 39 3.101 19.933 12.798 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.944 20.445 14.231 1.00 0.00 C ATOM 515 CG2 VAL A 39 4.035 18.722 12.748 1.00 0.00 C ATOM 0 H VAL A 39 2.839 19.435 10.406 1.00 0.00 H new ATOM 0 HA VAL A 39 1.362 18.728 12.712 1.00 0.00 H new ATOM 0 HB VAL A 39 3.552 20.729 12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.926 20.673 14.646 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.332 21.347 14.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.462 19.680 14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.995 18.984 13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.591 17.897 13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.185 18.421 11.711 1.00 0.00 H new ATOM 525 N GLY A 40 1.222 21.946 12.396 1.00 0.00 N ATOM 526 CA GLY A 40 0.365 23.107 12.561 1.00 0.00 C ATOM 527 C GLY A 40 -0.917 22.964 11.738 1.00 0.00 C ATOM 528 O GLY A 40 -2.016 23.164 12.253 1.00 0.00 O ATOM 0 H GLY A 40 2.216 22.158 12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.113 23.231 13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.900 24.005 12.254 1.00 0.00 H new ATOM 532 N ILE A 41 -0.734 22.619 10.472 1.00 0.00 N ATOM 533 CA ILE A 41 -1.862 22.446 9.572 1.00 0.00 C ATOM 534 C ILE A 41 -2.899 21.535 10.231 1.00 0.00 C ATOM 535 O ILE A 41 -4.080 21.874 10.290 1.00 0.00 O ATOM 536 CB ILE A 41 -1.386 21.949 8.206 1.00 0.00 C ATOM 537 CG1 ILE A 41 -0.545 23.014 7.498 1.00 0.00 C ATOM 538 CG2 ILE A 41 -2.566 21.488 7.349 1.00 0.00 C ATOM 539 CD1 ILE A 41 0.937 22.630 7.497 1.00 0.00 C ATOM 0 H ILE A 41 0.179 22.454 10.048 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.350 23.402 9.385 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.744 21.082 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.894 23.136 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.675 23.975 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.200 21.140 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.087 20.675 7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.253 22.321 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.513 23.403 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.288 22.533 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.066 21.680 6.978 1.00 0.00 H new ATOM 551 N ALA A 42 -2.420 20.396 10.709 1.00 0.00 N ATOM 552 CA ALA A 42 -3.292 19.433 11.361 1.00 0.00 C ATOM 553 C ALA A 42 -3.969 20.096 12.562 1.00 0.00 C ATOM 554 O ALA A 42 -5.113 19.780 12.887 1.00 0.00 O ATOM 555 CB ALA A 42 -2.481 18.197 11.758 1.00 0.00 C ATOM 0 H ALA A 42 -1.440 20.118 10.658 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.077 19.104 10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.135 17.475 12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.045 17.746 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.685 18.489 12.444 1.00 0.00 H new ATOM 561 N ALA A 43 -3.235 21.003 13.189 1.00 0.00 N ATOM 562 CA ALA A 43 -3.750 21.714 14.347 1.00 0.00 C ATOM 563 C ALA A 43 -4.865 22.662 13.903 1.00 0.00 C ATOM 564 O ALA A 43 -5.783 22.950 14.670 1.00 0.00 O ATOM 565 CB ALA A 43 -2.605 22.447 15.047 1.00 0.00 C ATOM 0 H ALA A 43 -2.287 21.262 12.917 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.178 21.016 15.067 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.991 22.980 15.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.854 21.726 15.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.152 23.158 14.356 1.00 0.00 H new ATOM 571 N SER A 44 -4.749 23.122 12.666 1.00 0.00 N ATOM 572 CA SER A 44 -5.737 24.033 12.111 1.00 0.00 C ATOM 573 C SER A 44 -7.029 23.276 11.799 1.00 0.00 C ATOM 574 O SER A 44 -8.080 23.575 12.366 1.00 0.00 O ATOM 575 CB SER A 44 -5.206 24.718 10.850 1.00 0.00 C ATOM 576 OG SER A 44 -5.644 26.071 10.753 1.00 0.00 O ATOM 0 H SER A 44 -3.987 22.881 12.032 1.00 0.00 H new ATOM 0 HA SER A 44 -5.945 24.805 12.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.116 24.689 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.537 24.166 9.971 1.00 0.00 H new ATOM 0 HG SER A 44 -5.283 26.474 9.936 1.00 0.00 H new ATOM 582 N SER A 45 -6.911 22.311 10.899 1.00 0.00 N ATOM 583 CA SER A 45 -8.057 21.510 10.506 1.00 0.00 C ATOM 584 C SER A 45 -8.781 20.987 11.748 1.00 0.00 C ATOM 585 O SER A 45 -10.004 21.082 11.844 1.00 0.00 O ATOM 586 CB SER A 45 -7.633 20.345 9.609 1.00 0.00 C ATOM 587 OG SER A 45 -8.235 20.417 8.319 1.00 0.00 O ATOM 0 H SER A 45 -6.039 22.066 10.431 1.00 0.00 H new ATOM 0 HA SER A 45 -8.737 22.143 9.936 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.548 20.345 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.907 19.403 10.085 1.00 0.00 H new ATOM 0 HG SER A 45 -7.938 19.657 7.776 1.00 0.00 H new ATOM 593 N ILE A 46 -7.996 20.447 12.668 1.00 0.00 N ATOM 594 CA ILE A 46 -8.547 19.909 13.900 1.00 0.00 C ATOM 595 C ILE A 46 -9.296 21.016 14.645 1.00 0.00 C ATOM 596 O ILE A 46 -10.457 20.846 15.012 1.00 0.00 O ATOM 597 CB ILE A 46 -7.450 19.242 14.732 1.00 0.00 C ATOM 598 CG1 ILE A 46 -6.920 17.987 14.035 1.00 0.00 C ATOM 599 CG2 ILE A 46 -7.940 18.946 16.151 1.00 0.00 C ATOM 600 CD1 ILE A 46 -7.900 16.822 14.184 1.00 0.00 C ATOM 0 H ILE A 46 -6.982 20.370 12.585 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.271 19.124 13.682 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.616 19.939 14.819 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.756 18.196 12.978 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.955 17.711 14.459 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.141 18.472 16.721 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.229 19.877 16.638 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.800 18.277 16.107 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.499 15.943 13.680 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.043 16.600 15.242 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.857 17.092 13.737 1.00 0.00 H new ATOM 612 N ALA A 47 -8.600 22.125 14.845 1.00 0.00 N ATOM 613 CA ALA A 47 -9.185 23.260 15.539 1.00 0.00 C ATOM 614 C ALA A 47 -10.564 23.559 14.948 1.00 0.00 C ATOM 615 O ALA A 47 -11.553 23.630 15.676 1.00 0.00 O ATOM 616 CB ALA A 47 -8.238 24.459 15.446 1.00 0.00 C ATOM 0 H ALA A 47 -7.637 22.262 14.539 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.322 23.034 16.596 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.677 25.310 15.966 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.283 24.205 15.906 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.079 24.717 14.399 1.00 0.00 H new ATOM 622 N ALA A 48 -10.585 23.726 13.634 1.00 0.00 N ATOM 623 CA ALA A 48 -11.827 24.016 12.937 1.00 0.00 C ATOM 624 C ALA A 48 -12.910 23.042 13.407 1.00 0.00 C ATOM 625 O ALA A 48 -13.863 23.443 14.073 1.00 0.00 O ATOM 626 CB ALA A 48 -11.593 23.943 11.426 1.00 0.00 C ATOM 0 H ALA A 48 -9.763 23.666 13.034 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.169 25.025 13.166 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.524 24.160 10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.837 24.673 11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.251 22.943 11.159 1.00 0.00 H new ATOM 632 N LYS A 49 -12.726 21.782 13.041 1.00 0.00 N ATOM 633 CA LYS A 49 -13.676 20.748 13.417 1.00 0.00 C ATOM 634 C LYS A 49 -15.049 21.085 12.832 1.00 0.00 C ATOM 635 O LYS A 49 -15.912 21.614 13.530 1.00 0.00 O ATOM 636 CB LYS A 49 -13.685 20.555 14.935 1.00 0.00 C ATOM 637 CG LYS A 49 -13.592 19.073 15.300 1.00 0.00 C ATOM 638 CD LYS A 49 -13.559 18.882 16.818 1.00 0.00 C ATOM 639 CE LYS A 49 -14.339 17.632 17.231 1.00 0.00 C ATOM 640 NZ LYS A 49 -15.117 17.890 18.463 1.00 0.00 N ATOM 0 H LYS A 49 -11.934 21.454 12.489 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.378 19.787 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.849 21.096 15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.597 20.980 15.354 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.444 18.538 14.881 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.695 18.641 14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.526 18.798 17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.984 19.758 17.308 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.010 17.333 16.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.650 16.804 17.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.640 17.032 18.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.470 18.154 19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.788 18.666 18.294 1.00 0.00 H new ATOM 823 N ALA A 64 -10.305 9.950 -2.500 1.00 0.00 N ATOM 824 CA ALA A 64 -10.907 10.701 -3.589 1.00 0.00 C ATOM 825 C ALA A 64 -10.063 11.945 -3.872 1.00 0.00 C ATOM 826 O ALA A 64 -9.748 12.707 -2.960 1.00 0.00 O ATOM 827 CB ALA A 64 -12.354 11.048 -3.231 1.00 0.00 C ATOM 0 HA ALA A 64 -10.930 10.104 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.806 11.611 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.919 10.130 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.370 11.650 -2.323 1.00 0.00 H new ATOM 833 N GLY A 65 -9.720 12.111 -5.141 1.00 0.00 N ATOM 834 CA GLY A 65 -8.918 13.250 -5.556 1.00 0.00 C ATOM 835 C GLY A 65 -7.493 12.817 -5.908 1.00 0.00 C ATOM 836 O GLY A 65 -7.284 11.725 -6.434 1.00 0.00 O ATOM 0 H GLY A 65 -9.982 11.476 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.380 13.730 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.890 13.990 -4.757 1.00 0.00 H new ATOM 840 N SER A 66 -6.550 13.697 -5.604 1.00 0.00 N ATOM 841 CA SER A 66 -5.151 13.420 -5.882 1.00 0.00 C ATOM 842 C SER A 66 -4.755 12.069 -5.282 1.00 0.00 C ATOM 843 O SER A 66 -3.940 11.347 -5.853 1.00 0.00 O ATOM 844 CB SER A 66 -4.250 14.528 -5.333 1.00 0.00 C ATOM 845 OG SER A 66 -4.595 15.807 -5.860 1.00 0.00 O ATOM 0 H SER A 66 -6.727 14.602 -5.168 1.00 0.00 H new ATOM 0 HA SER A 66 -5.019 13.383 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.326 14.551 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.211 14.304 -5.576 1.00 0.00 H new ATOM 0 HG SER A 66 -3.998 16.487 -5.484 1.00 0.00 H new ATOM 851 N LEU A 67 -5.353 11.768 -4.138 1.00 0.00 N ATOM 852 CA LEU A 67 -5.073 10.517 -3.455 1.00 0.00 C ATOM 853 C LEU A 67 -5.240 9.356 -4.437 1.00 0.00 C ATOM 854 O LEU A 67 -4.483 8.388 -4.395 1.00 0.00 O ATOM 855 CB LEU A 67 -5.936 10.388 -2.198 1.00 0.00 C ATOM 856 CG LEU A 67 -5.246 10.721 -0.874 1.00 0.00 C ATOM 857 CD1 LEU A 67 -5.652 12.110 -0.378 1.00 0.00 C ATOM 858 CD2 LEU A 67 -5.516 9.638 0.173 1.00 0.00 C ATOM 0 H LEU A 67 -6.030 12.369 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.040 10.496 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.802 11.040 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.311 9.366 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.170 10.742 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.147 12.322 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.367 12.858 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.731 12.141 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.014 9.899 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.589 9.561 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.137 8.681 -0.187 1.00 0.00 H new ATOM 870 N VAL A 68 -6.238 9.491 -5.299 1.00 0.00 N ATOM 871 CA VAL A 68 -6.514 8.465 -6.290 1.00 0.00 C ATOM 872 C VAL A 68 -5.227 8.135 -7.049 1.00 0.00 C ATOM 873 O VAL A 68 -4.924 6.966 -7.285 1.00 0.00 O ATOM 874 CB VAL A 68 -7.650 8.918 -7.209 1.00 0.00 C ATOM 875 CG1 VAL A 68 -7.877 7.910 -8.338 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.937 9.152 -6.416 1.00 0.00 C ATOM 0 H VAL A 68 -6.865 10.295 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.850 7.548 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.358 9.866 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.690 8.256 -8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.966 7.815 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.137 6.940 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.728 9.473 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.234 8.226 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.767 9.924 -5.665 1.00 0.00 H new ATOM 886 N ALA A 69 -4.505 9.185 -7.409 1.00 0.00 N ATOM 887 CA ALA A 69 -3.257 9.022 -8.136 1.00 0.00 C ATOM 888 C ALA A 69 -2.212 8.392 -7.212 1.00 0.00 C ATOM 889 O ALA A 69 -1.333 7.663 -7.670 1.00 0.00 O ATOM 890 CB ALA A 69 -2.806 10.375 -8.688 1.00 0.00 C ATOM 0 H ALA A 69 -4.760 10.153 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.393 8.353 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.870 10.252 -9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.569 10.766 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.657 11.073 -7.864 1.00 0.00 H new ATOM 896 N ILE A 70 -2.343 8.696 -5.929 1.00 0.00 N ATOM 897 CA ILE A 70 -1.422 8.168 -4.938 1.00 0.00 C ATOM 898 C ILE A 70 -1.600 6.652 -4.837 1.00 0.00 C ATOM 899 O ILE A 70 -0.669 5.895 -5.106 1.00 0.00 O ATOM 900 CB ILE A 70 -1.595 8.897 -3.604 1.00 0.00 C ATOM 901 CG1 ILE A 70 -1.276 10.387 -3.748 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.761 8.236 -2.505 1.00 0.00 C ATOM 903 CD1 ILE A 70 -1.655 11.154 -2.479 1.00 0.00 C ATOM 0 H ILE A 70 -3.073 9.301 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.391 8.348 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.640 8.819 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.213 10.517 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.817 10.798 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.902 8.774 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.078 7.201 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.293 8.262 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.418 12.210 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.723 11.042 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.094 10.757 -1.633 1.00 0.00 H new ATOM 915 N LEU A 71 -2.803 6.254 -4.450 1.00 0.00 N ATOM 916 CA LEU A 71 -3.115 4.842 -4.310 1.00 0.00 C ATOM 917 C LEU A 71 -2.849 4.132 -5.639 1.00 0.00 C ATOM 918 O LEU A 71 -2.462 2.964 -5.657 1.00 0.00 O ATOM 919 CB LEU A 71 -4.542 4.657 -3.789 1.00 0.00 C ATOM 920 CG LEU A 71 -4.687 3.834 -2.508 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.118 4.589 -1.304 1.00 0.00 C ATOM 922 CD2 LEU A 71 -6.141 3.415 -2.287 1.00 0.00 C ATOM 0 H LEU A 71 -3.573 6.885 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.466 4.381 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.975 5.642 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.134 4.182 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.103 2.921 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.234 3.982 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.060 4.794 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.654 5.529 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.216 2.831 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.767 4.303 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.478 2.811 -3.130 1.00 0.00 H new ATOM 934 N GLN A 72 -3.069 4.866 -6.720 1.00 0.00 N ATOM 935 CA GLN A 72 -2.858 4.321 -8.050 1.00 0.00 C ATOM 936 C GLN A 72 -1.410 3.852 -8.208 1.00 0.00 C ATOM 937 O GLN A 72 -1.154 2.659 -8.364 1.00 0.00 O ATOM 938 CB GLN A 72 -3.222 5.346 -9.127 1.00 0.00 C ATOM 939 CG GLN A 72 -4.585 5.029 -9.746 1.00 0.00 C ATOM 940 CD GLN A 72 -4.599 5.361 -11.240 1.00 0.00 C ATOM 941 OE1 GLN A 72 -3.817 4.849 -12.023 1.00 0.00 O ATOM 942 NE2 GLN A 72 -5.530 6.245 -11.588 1.00 0.00 N ATOM 0 H GLN A 72 -3.391 5.834 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.515 3.460 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.239 6.345 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.458 5.350 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.817 3.974 -9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.362 5.599 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.153 6.635 -10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.621 6.533 -12.562 1.00 0.00 H new ATOM 951 N SER A 73 -0.501 4.815 -8.163 1.00 0.00 N ATOM 952 CA SER A 73 0.914 4.515 -8.299 1.00 0.00 C ATOM 953 C SER A 73 1.411 3.761 -7.063 1.00 0.00 C ATOM 954 O SER A 73 1.769 2.587 -7.150 1.00 0.00 O ATOM 955 CB SER A 73 1.731 5.792 -8.504 1.00 0.00 C ATOM 956 OG SER A 73 2.805 5.598 -9.421 1.00 0.00 O ATOM 0 H SER A 73 -0.717 5.804 -8.034 1.00 0.00 H new ATOM 0 HA SER A 73 1.046 3.886 -9.179 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.079 6.584 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.129 6.126 -7.546 1.00 0.00 H new ATOM 0 HG SER A 73 3.301 6.437 -9.526 1.00 0.00 H new ATOM 962 N VAL A 74 1.415 4.466 -5.942 1.00 0.00 N ATOM 963 CA VAL A 74 1.862 3.878 -4.690 1.00 0.00 C ATOM 964 C VAL A 74 1.359 2.435 -4.601 1.00 0.00 C ATOM 965 O VAL A 74 2.094 1.543 -4.181 1.00 0.00 O ATOM 966 CB VAL A 74 1.406 4.743 -3.514 1.00 0.00 C ATOM 967 CG1 VAL A 74 1.879 4.153 -2.183 1.00 0.00 C ATOM 968 CG2 VAL A 74 1.889 6.186 -3.675 1.00 0.00 C ATOM 0 H VAL A 74 1.116 5.439 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 74 2.951 3.846 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 74 0.316 4.752 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.541 4.787 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.465 3.152 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.968 4.099 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.551 6.780 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.978 6.202 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.482 6.605 -4.595 1.00 0.00 H new ATOM 978 N GLY A 75 0.110 2.252 -5.004 1.00 0.00 N ATOM 979 CA GLY A 75 -0.499 0.933 -4.976 1.00 0.00 C ATOM 980 C GLY A 75 0.238 -0.032 -5.907 1.00 0.00 C ATOM 981 O GLY A 75 0.694 -1.089 -5.475 1.00 0.00 O ATOM 0 H GLY A 75 -0.497 2.995 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.485 0.544 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.545 1.005 -5.275 1.00 0.00 H new ATOM 985 N ALA A 76 0.331 0.367 -7.167 1.00 0.00 N ATOM 986 CA ALA A 76 1.004 -0.449 -8.162 1.00 0.00 C ATOM 987 C ALA A 76 2.457 -0.670 -7.736 1.00 0.00 C ATOM 988 O ALA A 76 2.838 -1.781 -7.370 1.00 0.00 O ATOM 989 CB ALA A 76 0.894 0.222 -9.533 1.00 0.00 C ATOM 0 H ALA A 76 -0.049 1.245 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 76 0.530 -1.428 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.399 -0.391 -10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.157 0.329 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.361 1.206 -9.495 1.00 0.00 H new ATOM 995 N ALA A 77 3.228 0.405 -7.798 1.00 0.00 N ATOM 996 CA ALA A 77 4.631 0.343 -7.424 1.00 0.00 C ATOM 997 C ALA A 77 4.773 -0.461 -6.130 1.00 0.00 C ATOM 998 O ALA A 77 5.449 -1.488 -6.104 1.00 0.00 O ATOM 999 CB ALA A 77 5.188 1.762 -7.293 1.00 0.00 C ATOM 0 H ALA A 77 2.908 1.325 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 77 5.212 -0.165 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.240 1.715 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.089 2.281 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.632 2.302 -6.527 1.00 0.00 H new ATOM 1005 N GLY A 78 4.126 0.037 -5.087 1.00 0.00 N ATOM 1006 CA GLY A 78 4.172 -0.622 -3.793 1.00 0.00 C ATOM 1007 C GLY A 78 4.068 -2.141 -3.947 1.00 0.00 C ATOM 1008 O GLY A 78 5.046 -2.857 -3.741 1.00 0.00 O ATOM 0 H GLY A 78 3.567 0.890 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.102 -0.367 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.356 -0.260 -3.167 1.00 0.00 H new ATOM 1012 N LEU A 79 2.874 -2.586 -4.307 1.00 0.00 N ATOM 1013 CA LEU A 79 2.629 -4.007 -4.491 1.00 0.00 C ATOM 1014 C LEU A 79 3.741 -4.603 -5.358 1.00 0.00 C ATOM 1015 O LEU A 79 4.103 -5.767 -5.195 1.00 0.00 O ATOM 1016 CB LEU A 79 1.223 -4.241 -5.047 1.00 0.00 C ATOM 1017 CG LEU A 79 0.381 -5.291 -4.320 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.054 -4.787 -2.943 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -0.812 -5.725 -5.174 1.00 0.00 C ATOM 0 H LEU A 79 2.065 -1.988 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 79 2.658 -4.526 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.684 -3.294 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.312 -4.535 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 79 1.000 -6.174 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.651 -5.552 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.828 -4.568 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.649 -3.881 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.394 -6.472 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.440 -4.860 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.453 -6.153 -6.110 1.00 0.00 H new ATOM 1031 N SER A 80 4.250 -3.778 -6.261 1.00 0.00 N ATOM 1032 CA SER A 80 5.313 -4.209 -7.153 1.00 0.00 C ATOM 1033 C SER A 80 6.558 -4.578 -6.345 1.00 0.00 C ATOM 1034 O SER A 80 6.843 -5.757 -6.140 1.00 0.00 O ATOM 1035 CB SER A 80 5.647 -3.121 -8.177 1.00 0.00 C ATOM 1036 OG SER A 80 5.612 -3.617 -9.512 1.00 0.00 O ATOM 0 H SER A 80 3.946 -2.813 -6.394 1.00 0.00 H new ATOM 0 HA SER A 80 4.968 -5.089 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.938 -2.299 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.637 -2.716 -7.966 1.00 0.00 H new ATOM 0 HG SER A 80 5.829 -2.893 -10.136 1.00 0.00 H new ATOM 1042 N VAL A 81 7.267 -3.547 -5.907 1.00 0.00 N ATOM 1043 CA VAL A 81 8.475 -3.749 -5.126 1.00 0.00 C ATOM 1044 C VAL A 81 8.188 -4.739 -3.996 1.00 0.00 C ATOM 1045 O VAL A 81 9.090 -5.432 -3.528 1.00 0.00 O ATOM 1046 CB VAL A 81 9.003 -2.404 -4.622 1.00 0.00 C ATOM 1047 CG1 VAL A 81 8.075 -1.816 -3.556 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.431 -2.539 -4.091 1.00 0.00 C ATOM 0 H VAL A 81 7.028 -2.570 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 81 9.261 -4.181 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 81 9.024 -1.715 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.473 -0.860 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.083 -1.665 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.008 -2.503 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.782 -1.569 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.447 -3.251 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.084 -2.893 -4.889 1.00 0.00 H new ATOM 1058 N THR A 82 6.927 -4.776 -3.590 1.00 0.00 N ATOM 1059 CA THR A 82 6.509 -5.670 -2.524 1.00 0.00 C ATOM 1060 C THR A 82 6.731 -7.127 -2.933 1.00 0.00 C ATOM 1061 O THR A 82 7.742 -7.729 -2.573 1.00 0.00 O ATOM 1062 CB THR A 82 5.052 -5.350 -2.183 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.122 -4.106 -1.493 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.467 -6.317 -1.151 1.00 0.00 C ATOM 0 H THR A 82 6.181 -4.201 -3.981 1.00 0.00 H new ATOM 0 HA THR A 82 7.108 -5.522 -1.626 1.00 0.00 H new ATOM 0 HB THR A 82 4.451 -5.382 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.305 -3.387 -2.133 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.432 -6.046 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.505 -7.334 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.047 -6.261 -0.230 1.00 0.00 H new ATOM 1072 N SER A 83 5.771 -7.653 -3.679 1.00 0.00 N ATOM 1073 CA SER A 83 5.849 -9.028 -4.140 1.00 0.00 C ATOM 1074 C SER A 83 7.268 -9.338 -4.624 1.00 0.00 C ATOM 1075 O SER A 83 7.856 -10.344 -4.230 1.00 0.00 O ATOM 1076 CB SER A 83 4.838 -9.293 -5.258 1.00 0.00 C ATOM 1077 OG SER A 83 3.510 -8.955 -4.867 1.00 0.00 O ATOM 0 H SER A 83 4.934 -7.151 -3.976 1.00 0.00 H new ATOM 0 HA SER A 83 5.605 -9.683 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.114 -8.716 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.876 -10.345 -5.540 1.00 0.00 H new ATOM 0 HG SER A 83 3.389 -7.984 -4.924 1.00 0.00 H new ATOM 1083 N LYS A 84 7.776 -8.455 -5.471 1.00 0.00 N ATOM 1084 CA LYS A 84 9.114 -8.621 -6.013 1.00 0.00 C ATOM 1085 C LYS A 84 10.098 -8.855 -4.865 1.00 0.00 C ATOM 1086 O LYS A 84 10.856 -9.823 -4.881 1.00 0.00 O ATOM 1087 CB LYS A 84 9.481 -7.435 -6.906 1.00 0.00 C ATOM 1088 CG LYS A 84 9.617 -7.870 -8.367 1.00 0.00 C ATOM 1089 CD LYS A 84 10.343 -6.805 -9.191 1.00 0.00 C ATOM 1090 CE LYS A 84 10.729 -7.347 -10.569 1.00 0.00 C ATOM 1091 NZ LYS A 84 12.147 -7.769 -10.582 1.00 0.00 N ATOM 0 H LYS A 84 7.285 -7.622 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 84 9.159 -9.500 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.717 -6.662 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.418 -6.995 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.164 -8.811 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.629 -8.051 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.703 -5.930 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.238 -6.477 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.090 -8.192 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.565 -6.581 -11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.392 -8.134 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.754 -6.955 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.294 -8.515 -9.873 1.00 0.00 H new ATOM 1105 N VAL A 85 10.055 -7.951 -3.897 1.00 0.00 N ATOM 1106 CA VAL A 85 10.933 -8.047 -2.744 1.00 0.00 C ATOM 1107 C VAL A 85 10.735 -9.406 -2.069 1.00 0.00 C ATOM 1108 O VAL A 85 11.667 -9.952 -1.480 1.00 0.00 O ATOM 1109 CB VAL A 85 10.688 -6.868 -1.800 1.00 0.00 C ATOM 1110 CG1 VAL A 85 11.118 -7.211 -0.372 1.00 0.00 C ATOM 1111 CG2 VAL A 85 11.398 -5.609 -2.299 1.00 0.00 C ATOM 0 H VAL A 85 9.425 -7.149 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 85 11.977 -7.987 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 85 9.617 -6.665 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.933 -6.356 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.547 -8.068 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.181 -7.453 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.207 -4.786 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.471 -5.794 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.023 -5.348 -3.288 1.00 0.00 H new ATOM 1121 N ILE A 86 9.516 -9.912 -2.176 1.00 0.00 N ATOM 1122 CA ILE A 86 9.183 -11.196 -1.583 1.00 0.00 C ATOM 1123 C ILE A 86 9.701 -12.318 -2.484 1.00 0.00 C ATOM 1124 O ILE A 86 10.670 -12.995 -2.143 1.00 0.00 O ATOM 1125 CB ILE A 86 7.683 -11.281 -1.295 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.284 -10.319 -0.174 1.00 0.00 C ATOM 1127 CG2 ILE A 86 7.264 -12.721 -0.991 1.00 0.00 C ATOM 1128 CD1 ILE A 86 5.787 -10.007 -0.225 1.00 0.00 C ATOM 0 H ILE A 86 8.746 -9.456 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 86 9.676 -11.309 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 86 7.145 -10.971 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.535 -10.757 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.855 -9.395 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.193 -12.754 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.492 -13.355 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.808 -13.082 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.531 -9.321 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.544 -9.547 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.219 -10.930 -0.111 1.00 0.00 H new ATOM 1140 N GLY A 87 9.033 -12.481 -3.616 1.00 0.00 N ATOM 1141 CA GLY A 87 9.414 -13.509 -4.569 1.00 0.00 C ATOM 1142 C GLY A 87 8.188 -14.059 -5.302 1.00 0.00 C ATOM 1143 O GLY A 87 7.987 -15.271 -5.361 1.00 0.00 O ATOM 0 H GLY A 87 8.230 -11.918 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.119 -13.097 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.926 -14.319 -4.050 1.00 0.00 H new ATOM 1147 N GLY A 88 7.401 -13.140 -5.842 1.00 0.00 N ATOM 1148 CA GLY A 88 6.200 -13.517 -6.569 1.00 0.00 C ATOM 1149 C GLY A 88 5.432 -14.614 -5.828 1.00 0.00 C ATOM 1150 O GLY A 88 5.135 -15.662 -6.399 1.00 0.00 O ATOM 0 H GLY A 88 7.571 -12.136 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.560 -12.644 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.469 -13.866 -7.566 1.00 0.00 H new ATOM 1154 N PHE A 89 5.134 -14.335 -4.568 1.00 0.00 N ATOM 1155 CA PHE A 89 4.407 -15.284 -3.743 1.00 0.00 C ATOM 1156 C PHE A 89 4.858 -16.718 -4.030 1.00 0.00 C ATOM 1157 O PHE A 89 4.250 -17.414 -4.841 1.00 0.00 O ATOM 1158 CB PHE A 89 2.926 -15.147 -4.103 1.00 0.00 C ATOM 1159 CG PHE A 89 1.975 -15.399 -2.931 1.00 0.00 C ATOM 1160 CD1 PHE A 89 1.836 -16.655 -2.426 1.00 0.00 C ATOM 1161 CD2 PHE A 89 1.268 -14.369 -2.395 1.00 0.00 C ATOM 1162 CE1 PHE A 89 0.953 -16.889 -1.339 1.00 0.00 C ATOM 1163 CE2 PHE A 89 0.386 -14.603 -1.308 1.00 0.00 C ATOM 1164 CZ PHE A 89 0.247 -15.858 -0.802 1.00 0.00 C ATOM 0 H PHE A 89 5.383 -13.465 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 89 4.591 -15.077 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.749 -14.145 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.691 -15.847 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.397 -17.474 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.378 -13.372 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.842 -17.886 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.175 -13.784 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.424 -16.036 0.026 1.00 0.00 H new ATOM 1174 N ALA A 90 5.922 -17.117 -3.347 1.00 0.00 N ATOM 1175 CA ALA A 90 6.462 -18.455 -3.518 1.00 0.00 C ATOM 1176 C ALA A 90 6.414 -19.194 -2.179 1.00 0.00 C ATOM 1177 O ALA A 90 5.775 -20.239 -2.066 1.00 0.00 O ATOM 1178 CB ALA A 90 7.880 -18.365 -4.084 1.00 0.00 C ATOM 0 H ALA A 90 6.424 -16.537 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 90 5.863 -19.023 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.285 -19.369 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.855 -17.858 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.512 -17.804 -3.395 1.00 0.00 H new ATOM 1184 N GLY A 91 7.100 -18.623 -1.200 1.00 0.00 N ATOM 1185 CA GLY A 91 7.144 -19.215 0.126 1.00 0.00 C ATOM 1186 C GLY A 91 8.139 -18.477 1.024 1.00 0.00 C ATOM 1187 O GLY A 91 7.742 -17.687 1.879 1.00 0.00 O ATOM 0 H GLY A 91 7.630 -17.757 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.151 -19.184 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.427 -20.265 0.050 1.00 0.00 H new ATOM 1191 N THR A 92 9.414 -18.759 0.797 1.00 0.00 N ATOM 1192 CA THR A 92 10.469 -18.132 1.574 1.00 0.00 C ATOM 1193 C THR A 92 10.270 -16.616 1.617 1.00 0.00 C ATOM 1194 O THR A 92 10.406 -15.939 0.600 1.00 0.00 O ATOM 1195 CB THR A 92 11.812 -18.551 0.973 1.00 0.00 C ATOM 1196 OG1 THR A 92 12.775 -17.837 1.742 1.00 0.00 O ATOM 1197 CG2 THR A 92 12.007 -18.024 -0.450 1.00 0.00 C ATOM 0 H THR A 92 9.740 -19.414 0.086 1.00 0.00 H new ATOM 0 HA THR A 92 10.444 -18.462 2.613 1.00 0.00 H new ATOM 0 HB THR A 92 11.884 -19.639 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.675 -18.052 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.976 -18.350 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.217 -18.411 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.968 -16.935 -0.443 1.00 0.00 H new