USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 69:sc= 0.707 USER MOD Single : A 34 MET CE :methyl -139:sc= 0 (180deg=-0.761) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -1.87! 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= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 75:sc= 1.02 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 18:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -13.468 -9.925 3.778 1.00 0.00 N ATOM 117 CA SER A 9 -12.699 -10.819 4.625 1.00 0.00 C ATOM 118 C SER A 9 -12.995 -10.529 6.098 1.00 0.00 C ATOM 119 O SER A 9 -12.739 -9.427 6.581 1.00 0.00 O ATOM 120 CB SER A 9 -11.200 -10.686 4.349 1.00 0.00 C ATOM 121 OG SER A 9 -10.776 -11.534 3.285 1.00 0.00 O ATOM 0 HA SER A 9 -12.994 -11.843 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.967 -9.650 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.642 -10.931 5.253 1.00 0.00 H new ATOM 0 HG SER A 9 -9.814 -11.419 3.138 1.00 0.00 H new ATOM 127 N GLY A 10 -13.531 -11.537 6.770 1.00 0.00 N ATOM 128 CA GLY A 10 -13.865 -11.403 8.178 1.00 0.00 C ATOM 129 C GLY A 10 -12.654 -11.712 9.061 1.00 0.00 C ATOM 130 O GLY A 10 -12.203 -10.857 9.822 1.00 0.00 O ATOM 0 H GLY A 10 -13.742 -12.449 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.216 -10.390 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.683 -12.079 8.427 1.00 0.00 H new ATOM 134 N ARG A 11 -12.161 -12.934 8.929 1.00 0.00 N ATOM 135 CA ARG A 11 -11.011 -13.366 9.704 1.00 0.00 C ATOM 136 C ARG A 11 -9.725 -12.786 9.113 1.00 0.00 C ATOM 137 O ARG A 11 -8.932 -12.171 9.825 1.00 0.00 O ATOM 138 CB ARG A 11 -10.908 -14.892 9.735 1.00 0.00 C ATOM 139 CG ARG A 11 -11.332 -15.443 11.098 1.00 0.00 C ATOM 140 CD ARG A 11 -10.758 -16.844 11.325 1.00 0.00 C ATOM 141 NE ARG A 11 -10.219 -16.953 12.699 1.00 0.00 N ATOM 142 CZ ARG A 11 -10.966 -16.834 13.817 1.00 0.00 C ATOM 143 NH1 ARG A 11 -12.293 -16.601 13.733 1.00 0.00 N ATOM 144 NH2 ARG A 11 -10.380 -16.949 14.994 1.00 0.00 N ATOM 0 H ARG A 11 -12.538 -13.640 8.296 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.143 -13.002 10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.538 -15.318 8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.884 -15.195 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.990 -14.774 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.420 -15.477 11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.534 -17.594 11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.970 -17.045 10.599 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.220 -17.129 12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.739 -16.514 12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.850 -16.512 14.583 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.377 -17.125 15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.930 -16.862 15.848 1.00 0.00 H new ATOM 158 N ALA A 12 -9.556 -13.003 7.817 1.00 0.00 N ATOM 159 CA ALA A 12 -8.380 -12.510 7.122 1.00 0.00 C ATOM 160 C ALA A 12 -8.052 -11.101 7.620 1.00 0.00 C ATOM 161 O ALA A 12 -6.883 -10.730 7.718 1.00 0.00 O ATOM 162 CB ALA A 12 -8.623 -12.554 5.612 1.00 0.00 C ATOM 0 H ALA A 12 -10.215 -13.514 7.230 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.517 -13.142 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.740 -12.184 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.822 -13.581 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.480 -11.929 5.363 1.00 0.00 H new ATOM 168 N ALA A 13 -9.104 -10.355 7.920 1.00 0.00 N ATOM 169 CA ALA A 13 -8.943 -8.994 8.405 1.00 0.00 C ATOM 170 C ALA A 13 -7.795 -8.951 9.416 1.00 0.00 C ATOM 171 O ALA A 13 -6.826 -8.217 9.228 1.00 0.00 O ATOM 172 CB ALA A 13 -10.264 -8.505 9.002 1.00 0.00 C ATOM 0 H ALA A 13 -10.072 -10.666 7.837 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.687 -8.322 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.143 -7.485 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.040 -8.528 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.551 -9.153 9.830 1.00 0.00 H new ATOM 178 N VAL A 14 -7.942 -9.746 10.465 1.00 0.00 N ATOM 179 CA VAL A 14 -6.930 -9.807 11.506 1.00 0.00 C ATOM 180 C VAL A 14 -5.543 -9.840 10.861 1.00 0.00 C ATOM 181 O VAL A 14 -4.651 -9.093 11.259 1.00 0.00 O ATOM 182 CB VAL A 14 -7.192 -11.005 12.421 1.00 0.00 C ATOM 183 CG1 VAL A 14 -6.495 -12.261 11.894 1.00 0.00 C ATOM 184 CG2 VAL A 14 -6.763 -10.701 13.858 1.00 0.00 C ATOM 0 H VAL A 14 -8.747 -10.354 10.617 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.975 -8.918 12.135 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.265 -11.195 12.425 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.698 -13.097 12.563 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.870 -12.494 10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.420 -12.087 11.846 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.960 -11.569 14.488 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.698 -10.472 13.879 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.326 -9.846 14.232 1.00 0.00 H new ATOM 194 N ALA A 15 -5.405 -10.715 9.875 1.00 0.00 N ATOM 195 CA ALA A 15 -4.142 -10.855 9.170 1.00 0.00 C ATOM 196 C ALA A 15 -3.716 -9.493 8.619 1.00 0.00 C ATOM 197 O ALA A 15 -2.571 -9.079 8.792 1.00 0.00 O ATOM 198 CB ALA A 15 -4.284 -11.910 8.072 1.00 0.00 C ATOM 0 H ALA A 15 -6.147 -11.334 9.548 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.360 -11.195 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.337 -12.015 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.558 -12.866 8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.059 -11.602 7.370 1.00 0.00 H new ATOM 204 N ALA A 16 -4.662 -8.832 7.967 1.00 0.00 N ATOM 205 CA ALA A 16 -4.399 -7.525 7.389 1.00 0.00 C ATOM 206 C ALA A 16 -3.944 -6.567 8.491 1.00 0.00 C ATOM 207 O ALA A 16 -3.211 -5.615 8.228 1.00 0.00 O ATOM 208 CB ALA A 16 -5.650 -7.027 6.663 1.00 0.00 C ATOM 0 H ALA A 16 -5.611 -9.177 7.826 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.597 -7.585 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.453 -6.047 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.914 -7.728 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.476 -6.951 7.371 1.00 0.00 H new ATOM 214 N VAL A 17 -4.397 -6.853 9.703 1.00 0.00 N ATOM 215 CA VAL A 17 -4.045 -6.028 10.847 1.00 0.00 C ATOM 216 C VAL A 17 -2.644 -6.407 11.332 1.00 0.00 C ATOM 217 O VAL A 17 -1.928 -5.574 11.884 1.00 0.00 O ATOM 218 CB VAL A 17 -5.112 -6.161 11.936 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.812 -5.231 13.113 1.00 0.00 C ATOM 220 CG2 VAL A 17 -6.508 -5.898 11.370 1.00 0.00 C ATOM 0 H VAL A 17 -5.004 -7.644 9.918 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.017 -4.975 10.565 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.089 -7.186 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.585 -5.345 13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.842 -5.486 13.541 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.794 -4.198 12.765 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.248 -5.999 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.550 -4.889 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.722 -6.619 10.581 1.00 0.00 H new ATOM 230 N VAL A 18 -2.296 -7.666 11.109 1.00 0.00 N ATOM 231 CA VAL A 18 -0.994 -8.166 11.517 1.00 0.00 C ATOM 232 C VAL A 18 0.051 -7.765 10.474 1.00 0.00 C ATOM 233 O VAL A 18 1.248 -7.771 10.756 1.00 0.00 O ATOM 234 CB VAL A 18 -1.062 -9.678 11.744 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.410 -10.436 10.586 1.00 0.00 C ATOM 236 CG2 VAL A 18 -0.422 -10.060 13.080 1.00 0.00 C ATOM 0 H VAL A 18 -2.893 -8.355 10.651 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.694 -7.721 12.466 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.113 -9.965 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.472 -11.508 10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.929 -10.198 9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.636 -10.142 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.483 -11.140 13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.624 -9.753 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.950 -9.560 13.892 1.00 0.00 H new ATOM 246 N GLY A 19 -0.440 -7.425 9.291 1.00 0.00 N ATOM 247 CA GLY A 19 0.436 -7.021 8.205 1.00 0.00 C ATOM 248 C GLY A 19 1.619 -6.204 8.730 1.00 0.00 C ATOM 249 O GLY A 19 2.770 -6.618 8.599 1.00 0.00 O ATOM 0 H GLY A 19 -1.434 -7.421 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.803 -7.904 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.125 -6.431 7.481 1.00 0.00 H new ATOM 253 N GLY A 20 1.294 -5.059 9.312 1.00 0.00 N ATOM 254 CA GLY A 20 2.315 -4.181 9.857 1.00 0.00 C ATOM 255 C GLY A 20 1.756 -2.779 10.107 1.00 0.00 C ATOM 256 O GLY A 20 1.741 -1.943 9.205 1.00 0.00 O ATOM 0 H GLY A 20 0.338 -4.719 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.696 -4.596 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.156 -4.123 9.166 1.00 0.00 H new ATOM 260 N VAL A 21 1.310 -2.565 11.336 1.00 0.00 N ATOM 261 CA VAL A 21 0.751 -1.279 11.716 1.00 0.00 C ATOM 262 C VAL A 21 1.788 -0.182 11.463 1.00 0.00 C ATOM 263 O VAL A 21 1.540 0.748 10.697 1.00 0.00 O ATOM 264 CB VAL A 21 0.272 -1.325 13.168 1.00 0.00 C ATOM 265 CG1 VAL A 21 -0.283 0.033 13.606 1.00 0.00 C ATOM 266 CG2 VAL A 21 -0.765 -2.431 13.368 1.00 0.00 C ATOM 0 H VAL A 21 1.324 -3.261 12.082 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.123 -1.047 11.107 1.00 0.00 H new ATOM 0 HB VAL A 21 1.132 -1.554 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.617 -0.027 14.642 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.497 0.790 13.519 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.125 0.305 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.089 -2.442 14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.624 -2.246 12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.323 -3.395 13.115 1.00 0.00 H new ATOM 276 N VAL A 22 2.929 -0.328 12.122 1.00 0.00 N ATOM 277 CA VAL A 22 4.004 0.639 11.978 1.00 0.00 C ATOM 278 C VAL A 22 4.258 0.896 10.491 1.00 0.00 C ATOM 279 O VAL A 22 4.370 2.045 10.066 1.00 0.00 O ATOM 280 CB VAL A 22 5.250 0.150 12.720 1.00 0.00 C ATOM 281 CG1 VAL A 22 4.987 0.052 14.225 1.00 0.00 C ATOM 282 CG2 VAL A 22 5.732 -1.189 12.159 1.00 0.00 C ATOM 0 H VAL A 22 3.132 -1.101 12.756 1.00 0.00 H new ATOM 0 HA VAL A 22 3.724 1.591 12.430 1.00 0.00 H new ATOM 0 HB VAL A 22 6.042 0.882 12.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.888 -0.298 14.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.713 1.034 14.611 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.173 -0.650 14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.618 -1.514 12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.945 -1.934 12.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.977 -1.074 11.103 1.00 0.00 H new ATOM 292 N ALA A 23 4.341 -0.193 9.740 1.00 0.00 N ATOM 293 CA ALA A 23 4.578 -0.099 8.310 1.00 0.00 C ATOM 294 C ALA A 23 3.533 0.825 7.683 1.00 0.00 C ATOM 295 O ALA A 23 3.855 1.631 6.811 1.00 0.00 O ATOM 296 CB ALA A 23 4.560 -1.501 7.697 1.00 0.00 C ATOM 0 H ALA A 23 4.248 -1.145 10.095 1.00 0.00 H new ATOM 0 HA ALA A 23 5.559 0.332 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.738 -1.431 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.340 -2.109 8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.589 -1.963 7.875 1.00 0.00 H new ATOM 302 N VAL A 24 2.302 0.677 8.151 1.00 0.00 N ATOM 303 CA VAL A 24 1.208 1.489 7.647 1.00 0.00 C ATOM 304 C VAL A 24 1.408 2.940 8.088 1.00 0.00 C ATOM 305 O VAL A 24 0.990 3.867 7.397 1.00 0.00 O ATOM 306 CB VAL A 24 -0.131 0.905 8.104 1.00 0.00 C ATOM 307 CG1 VAL A 24 -1.279 1.874 7.815 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.385 -0.457 7.454 1.00 0.00 C ATOM 0 H VAL A 24 2.038 0.007 8.874 1.00 0.00 H new ATOM 0 HA VAL A 24 1.197 1.480 6.557 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.082 0.757 9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.219 1.435 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.107 2.810 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.330 2.068 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.343 -0.850 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.404 -0.345 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.411 -1.147 7.733 1.00 0.00 H new ATOM 318 N GLY A 25 2.049 3.092 9.238 1.00 0.00 N ATOM 319 CA GLY A 25 2.311 4.414 9.781 1.00 0.00 C ATOM 320 C GLY A 25 3.327 5.168 8.921 1.00 0.00 C ATOM 321 O GLY A 25 3.092 6.312 8.536 1.00 0.00 O ATOM 0 H GLY A 25 2.395 2.321 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.381 4.981 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.687 4.325 10.800 1.00 0.00 H new ATOM 325 N THR A 26 4.435 4.496 8.644 1.00 0.00 N ATOM 326 CA THR A 26 5.488 5.088 7.837 1.00 0.00 C ATOM 327 C THR A 26 4.967 5.411 6.435 1.00 0.00 C ATOM 328 O THR A 26 5.214 6.497 5.913 1.00 0.00 O ATOM 329 CB THR A 26 6.680 4.129 7.837 1.00 0.00 C ATOM 330 OG1 THR A 26 7.219 4.243 9.151 1.00 0.00 O ATOM 331 CG2 THR A 26 7.814 4.604 6.926 1.00 0.00 C ATOM 0 H THR A 26 4.626 3.547 8.964 1.00 0.00 H new ATOM 0 HA THR A 26 5.819 6.039 8.254 1.00 0.00 H new ATOM 0 HB THR A 26 6.349 3.140 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.996 3.652 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.635 3.888 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.449 4.685 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.168 5.578 7.263 1.00 0.00 H new ATOM 339 N VAL A 27 4.257 4.448 5.866 1.00 0.00 N ATOM 340 CA VAL A 27 3.700 4.617 4.535 1.00 0.00 C ATOM 341 C VAL A 27 2.841 5.882 4.503 1.00 0.00 C ATOM 342 O VAL A 27 3.069 6.771 3.684 1.00 0.00 O ATOM 343 CB VAL A 27 2.928 3.360 4.128 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.996 3.646 2.949 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.884 2.210 3.805 1.00 0.00 C ATOM 0 H VAL A 27 4.055 3.548 6.302 1.00 0.00 H new ATOM 0 HA VAL A 27 4.496 4.746 3.801 1.00 0.00 H new ATOM 0 HB VAL A 27 2.313 3.056 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.460 2.736 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.281 4.419 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.583 3.987 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.310 1.329 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.537 2.500 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.487 1.980 4.684 1.00 0.00 H new ATOM 355 N LEU A 28 1.871 5.924 5.404 1.00 0.00 N ATOM 356 CA LEU A 28 0.976 7.066 5.489 1.00 0.00 C ATOM 357 C LEU A 28 1.800 8.339 5.696 1.00 0.00 C ATOM 358 O LEU A 28 1.565 9.349 5.035 1.00 0.00 O ATOM 359 CB LEU A 28 -0.084 6.837 6.568 1.00 0.00 C ATOM 360 CG LEU A 28 -1.440 6.324 6.078 1.00 0.00 C ATOM 361 CD1 LEU A 28 -2.113 5.454 7.141 1.00 0.00 C ATOM 362 CD2 LEU A 28 -2.336 7.482 5.634 1.00 0.00 C ATOM 0 H LEU A 28 1.685 5.185 6.082 1.00 0.00 H new ATOM 0 HA LEU A 28 0.426 7.190 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.311 6.125 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.243 7.776 7.098 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.272 5.694 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.075 5.102 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.477 4.598 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.268 6.041 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.293 7.090 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.501 8.157 6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.853 8.025 4.821 1.00 0.00 H new ATOM 374 N VAL A 29 2.748 8.248 6.617 1.00 0.00 N ATOM 375 CA VAL A 29 3.608 9.380 6.920 1.00 0.00 C ATOM 376 C VAL A 29 4.287 9.857 5.635 1.00 0.00 C ATOM 377 O VAL A 29 4.555 11.047 5.475 1.00 0.00 O ATOM 378 CB VAL A 29 4.604 9.002 8.018 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.770 9.991 8.065 1.00 0.00 C ATOM 380 CG2 VAL A 29 3.910 8.906 9.378 1.00 0.00 C ATOM 0 H VAL A 29 2.940 7.408 7.163 1.00 0.00 H new ATOM 0 HA VAL A 29 3.021 10.213 7.306 1.00 0.00 H new ATOM 0 HB VAL A 29 5.009 8.019 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.463 9.699 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.289 9.987 7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.390 10.992 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.640 8.636 10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.464 9.869 9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.131 8.145 9.336 1.00 0.00 H new ATOM 390 N ALA A 30 4.547 8.904 4.752 1.00 0.00 N ATOM 391 CA ALA A 30 5.190 9.212 3.486 1.00 0.00 C ATOM 392 C ALA A 30 4.217 9.996 2.602 1.00 0.00 C ATOM 393 O ALA A 30 4.564 11.052 2.077 1.00 0.00 O ATOM 394 CB ALA A 30 5.662 7.915 2.825 1.00 0.00 C ATOM 0 H ALA A 30 4.324 7.918 4.888 1.00 0.00 H new ATOM 0 HA ALA A 30 6.069 9.837 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.144 8.145 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.372 7.410 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.806 7.264 2.649 1.00 0.00 H new ATOM 400 N LEU A 31 3.019 9.448 2.465 1.00 0.00 N ATOM 401 CA LEU A 31 1.994 10.083 1.654 1.00 0.00 C ATOM 402 C LEU A 31 1.778 11.516 2.144 1.00 0.00 C ATOM 403 O LEU A 31 1.881 12.463 1.366 1.00 0.00 O ATOM 404 CB LEU A 31 0.719 9.237 1.644 1.00 0.00 C ATOM 405 CG LEU A 31 0.755 7.979 0.774 1.00 0.00 C ATOM 406 CD1 LEU A 31 1.534 6.858 1.464 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.658 7.541 0.385 1.00 0.00 C ATOM 0 H LEU A 31 2.735 8.571 2.902 1.00 0.00 H new ATOM 0 HA LEU A 31 2.315 10.146 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.496 8.940 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.107 9.864 1.307 1.00 0.00 H new ATOM 0 HG LEU A 31 1.283 8.217 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.544 5.975 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.557 7.186 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.056 6.613 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.604 6.645 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.233 7.326 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.145 8.339 -0.175 1.00 0.00 H new ATOM 419 N SER A 32 1.481 11.630 3.430 1.00 0.00 N ATOM 420 CA SER A 32 1.249 12.931 4.032 1.00 0.00 C ATOM 421 C SER A 32 2.491 13.811 3.872 1.00 0.00 C ATOM 422 O SER A 32 2.384 14.980 3.504 1.00 0.00 O ATOM 423 CB SER A 32 0.882 12.797 5.511 1.00 0.00 C ATOM 424 OG SER A 32 0.145 11.605 5.772 1.00 0.00 O ATOM 0 H SER A 32 1.396 10.842 4.072 1.00 0.00 H new ATOM 0 HA SER A 32 0.410 13.400 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.791 12.800 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.294 13.662 5.818 1.00 0.00 H new ATOM 0 HG SER A 32 0.728 10.827 5.650 1.00 0.00 H new ATOM 430 N ALA A 33 3.640 13.215 4.154 1.00 0.00 N ATOM 431 CA ALA A 33 4.900 13.929 4.046 1.00 0.00 C ATOM 432 C ALA A 33 5.035 14.506 2.635 1.00 0.00 C ATOM 433 O ALA A 33 4.073 14.510 1.868 1.00 0.00 O ATOM 434 CB ALA A 33 6.053 12.989 4.404 1.00 0.00 C ATOM 0 H ALA A 33 3.724 12.245 4.457 1.00 0.00 H new ATOM 0 HA ALA A 33 4.930 14.763 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.998 13.525 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.926 12.630 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.057 12.141 3.719 1.00 0.00 H new ATOM 440 N MET A 34 6.236 14.979 2.335 1.00 0.00 N ATOM 441 CA MET A 34 6.508 15.557 1.031 1.00 0.00 C ATOM 442 C MET A 34 5.824 16.917 0.879 1.00 0.00 C ATOM 443 O MET A 34 6.483 17.921 0.614 1.00 0.00 O ATOM 444 CB MET A 34 6.008 14.609 -0.062 1.00 0.00 C ATOM 445 CG MET A 34 6.415 13.165 0.237 1.00 0.00 C ATOM 446 SD MET A 34 5.800 12.081 -1.041 1.00 0.00 S ATOM 447 CE MET A 34 6.457 10.523 -0.468 1.00 0.00 C ATOM 0 H MET A 34 7.032 14.973 2.973 1.00 0.00 H new ATOM 0 HA MET A 34 7.584 15.701 0.936 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.923 14.676 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.415 14.913 -1.026 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.501 13.090 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.019 12.860 1.206 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.831 9.951 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.272 10.707 0.232 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.670 9.958 0.032 1.00 0.00 H new ATOM 457 N GLY A 35 4.511 16.906 1.055 1.00 0.00 N ATOM 458 CA GLY A 35 3.730 18.126 0.941 1.00 0.00 C ATOM 459 C GLY A 35 2.832 18.318 2.164 1.00 0.00 C ATOM 460 O GLY A 35 1.611 18.201 2.066 1.00 0.00 O ATOM 0 H GLY A 35 3.968 16.071 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.398 18.981 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.119 18.088 0.039 1.00 0.00 H new ATOM 464 N PHE A 36 3.470 18.609 3.288 1.00 0.00 N ATOM 465 CA PHE A 36 2.744 18.818 4.529 1.00 0.00 C ATOM 466 C PHE A 36 1.999 17.549 4.949 1.00 0.00 C ATOM 467 O PHE A 36 1.196 17.015 4.186 1.00 0.00 O ATOM 468 CB PHE A 36 1.725 19.930 4.269 1.00 0.00 C ATOM 469 CG PHE A 36 1.981 21.208 5.070 1.00 0.00 C ATOM 470 CD1 PHE A 36 1.846 21.200 6.424 1.00 0.00 C ATOM 471 CD2 PHE A 36 2.343 22.352 4.429 1.00 0.00 C ATOM 472 CE1 PHE A 36 2.084 22.386 7.167 1.00 0.00 C ATOM 473 CE2 PHE A 36 2.580 23.538 5.173 1.00 0.00 C ATOM 474 CZ PHE A 36 2.446 23.530 6.527 1.00 0.00 C ATOM 0 H PHE A 36 4.483 18.705 3.365 1.00 0.00 H new ATOM 0 HA PHE A 36 3.439 19.080 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.730 20.172 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.728 19.558 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.558 20.292 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.450 22.358 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.977 22.380 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.867 24.446 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.627 24.432 7.093 1.00 0.00 H new ATOM 484 N THR A 37 2.293 17.103 6.162 1.00 0.00 N ATOM 485 CA THR A 37 1.662 15.907 6.692 1.00 0.00 C ATOM 486 C THR A 37 0.224 16.208 7.119 1.00 0.00 C ATOM 487 O THR A 37 -0.724 15.825 6.434 1.00 0.00 O ATOM 488 CB THR A 37 2.535 15.377 7.831 1.00 0.00 C ATOM 489 OG1 THR A 37 3.693 14.870 7.173 1.00 0.00 O ATOM 490 CG2 THR A 37 1.927 14.150 8.513 1.00 0.00 C ATOM 0 H THR A 37 2.960 17.549 6.792 1.00 0.00 H new ATOM 0 HA THR A 37 1.587 15.129 5.932 1.00 0.00 H new ATOM 0 HB THR A 37 2.686 16.165 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.315 14.508 7.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.586 13.814 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.954 14.410 8.930 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.807 13.350 7.783 1.00 0.00 H new ATOM 498 N SER A 38 0.106 16.890 8.249 1.00 0.00 N ATOM 499 CA SER A 38 -1.201 17.247 8.775 1.00 0.00 C ATOM 500 C SER A 38 -1.086 18.487 9.664 1.00 0.00 C ATOM 501 O SER A 38 -1.762 19.488 9.429 1.00 0.00 O ATOM 502 CB SER A 38 -1.814 16.085 9.560 1.00 0.00 C ATOM 503 OG SER A 38 -0.892 15.012 9.732 1.00 0.00 O ATOM 0 H SER A 38 0.894 17.205 8.815 1.00 0.00 H new ATOM 0 HA SER A 38 -1.859 17.470 7.935 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.143 16.441 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.700 15.722 9.038 1.00 0.00 H new ATOM 0 HG SER A 38 -1.320 14.291 10.239 1.00 0.00 H new ATOM 509 N VAL A 39 -0.227 18.380 10.666 1.00 0.00 N ATOM 510 CA VAL A 39 -0.015 19.480 11.591 1.00 0.00 C ATOM 511 C VAL A 39 -1.359 19.907 12.185 1.00 0.00 C ATOM 512 O VAL A 39 -2.414 19.533 11.675 1.00 0.00 O ATOM 513 CB VAL A 39 0.716 20.624 10.886 1.00 0.00 C ATOM 514 CG1 VAL A 39 -0.243 21.428 10.006 1.00 0.00 C ATOM 515 CG2 VAL A 39 1.423 21.529 11.897 1.00 0.00 C ATOM 0 H VAL A 39 0.331 17.548 10.858 1.00 0.00 H new ATOM 0 HA VAL A 39 0.622 19.166 12.418 1.00 0.00 H new ATOM 0 HB VAL A 39 1.477 20.187 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.302 22.235 9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.679 20.774 9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.037 21.849 10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.935 22.334 11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.688 21.953 12.581 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.150 20.945 12.461 1.00 0.00 H new ATOM 525 N GLY A 40 -1.277 20.684 13.255 1.00 0.00 N ATOM 526 CA GLY A 40 -2.474 21.165 13.924 1.00 0.00 C ATOM 527 C GLY A 40 -3.549 21.558 12.909 1.00 0.00 C ATOM 528 O GLY A 40 -4.724 21.240 13.089 1.00 0.00 O ATOM 0 H GLY A 40 -0.400 20.992 13.675 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.860 20.391 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.226 22.024 14.548 1.00 0.00 H new ATOM 532 N ILE A 41 -3.109 22.244 11.864 1.00 0.00 N ATOM 533 CA ILE A 41 -4.019 22.683 10.820 1.00 0.00 C ATOM 534 C ILE A 41 -4.922 21.517 10.413 1.00 0.00 C ATOM 535 O ILE A 41 -6.146 21.627 10.470 1.00 0.00 O ATOM 536 CB ILE A 41 -3.240 23.294 9.653 1.00 0.00 C ATOM 537 CG1 ILE A 41 -2.465 24.535 10.102 1.00 0.00 C ATOM 538 CG2 ILE A 41 -4.167 23.593 8.473 1.00 0.00 C ATOM 539 CD1 ILE A 41 -1.540 25.034 8.990 1.00 0.00 C ATOM 0 H ILE A 41 -2.134 22.506 11.718 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.669 23.476 11.190 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.507 22.563 9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.164 25.324 10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.879 24.301 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.589 24.026 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.635 22.669 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.938 24.297 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.001 25.917 9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.827 24.251 8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.132 25.290 8.112 1.00 0.00 H new ATOM 551 N ALA A 42 -4.284 20.428 10.012 1.00 0.00 N ATOM 552 CA ALA A 42 -5.015 19.243 9.595 1.00 0.00 C ATOM 553 C ALA A 42 -5.831 18.711 10.775 1.00 0.00 C ATOM 554 O ALA A 42 -6.889 18.114 10.584 1.00 0.00 O ATOM 555 CB ALA A 42 -4.033 18.204 9.049 1.00 0.00 C ATOM 0 H ALA A 42 -3.269 20.341 9.967 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.713 19.484 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.581 17.315 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.500 18.621 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.318 17.935 9.827 1.00 0.00 H new ATOM 561 N ALA A 43 -5.308 18.948 11.969 1.00 0.00 N ATOM 562 CA ALA A 43 -5.975 18.501 13.180 1.00 0.00 C ATOM 563 C ALA A 43 -7.285 19.272 13.350 1.00 0.00 C ATOM 564 O ALA A 43 -8.236 18.764 13.943 1.00 0.00 O ATOM 565 CB ALA A 43 -5.036 18.677 14.375 1.00 0.00 C ATOM 0 H ALA A 43 -4.430 19.444 12.124 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.222 17.442 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.536 18.342 15.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.133 18.086 14.219 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.768 19.729 14.475 1.00 0.00 H new ATOM 571 N SER A 44 -7.294 20.486 12.820 1.00 0.00 N ATOM 572 CA SER A 44 -8.472 21.332 12.905 1.00 0.00 C ATOM 573 C SER A 44 -9.490 20.920 11.840 1.00 0.00 C ATOM 574 O SER A 44 -10.669 20.737 12.141 1.00 0.00 O ATOM 575 CB SER A 44 -8.103 22.808 12.744 1.00 0.00 C ATOM 576 OG SER A 44 -8.472 23.578 13.885 1.00 0.00 O ATOM 0 H SER A 44 -6.503 20.904 12.330 1.00 0.00 H new ATOM 0 HA SER A 44 -8.916 21.202 13.892 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.029 22.897 12.578 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.597 23.211 11.860 1.00 0.00 H new ATOM 0 HG SER A 44 -8.218 24.514 13.744 1.00 0.00 H new ATOM 582 N SER A 45 -8.999 20.787 10.617 1.00 0.00 N ATOM 583 CA SER A 45 -9.851 20.400 9.506 1.00 0.00 C ATOM 584 C SER A 45 -10.568 19.088 9.828 1.00 0.00 C ATOM 585 O SER A 45 -11.767 18.955 9.587 1.00 0.00 O ATOM 586 CB SER A 45 -9.043 20.259 8.215 1.00 0.00 C ATOM 587 OG SER A 45 -9.460 21.190 7.219 1.00 0.00 O ATOM 0 H SER A 45 -8.021 20.941 10.371 1.00 0.00 H new ATOM 0 HA SER A 45 -10.592 21.185 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.985 20.409 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.149 19.245 7.830 1.00 0.00 H new ATOM 0 HG SER A 45 -8.919 21.069 6.411 1.00 0.00 H new ATOM 593 N ILE A 46 -9.804 18.150 10.370 1.00 0.00 N ATOM 594 CA ILE A 46 -10.352 16.853 10.728 1.00 0.00 C ATOM 595 C ILE A 46 -11.273 17.010 11.940 1.00 0.00 C ATOM 596 O ILE A 46 -12.397 16.512 11.938 1.00 0.00 O ATOM 597 CB ILE A 46 -9.228 15.836 10.937 1.00 0.00 C ATOM 598 CG1 ILE A 46 -8.525 15.516 9.617 1.00 0.00 C ATOM 599 CG2 ILE A 46 -9.751 14.575 11.629 1.00 0.00 C ATOM 600 CD1 ILE A 46 -7.149 14.893 9.864 1.00 0.00 C ATOM 0 H ILE A 46 -8.810 18.263 10.570 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.960 16.458 9.914 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.484 16.281 11.598 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.138 14.831 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.415 16.427 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.932 13.869 11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.168 14.840 12.601 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.526 14.117 11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.671 14.675 8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.530 15.590 10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.264 13.969 10.431 1.00 0.00 H new ATOM 612 N ALA A 47 -10.761 17.704 12.946 1.00 0.00 N ATOM 613 CA ALA A 47 -11.523 17.932 14.161 1.00 0.00 C ATOM 614 C ALA A 47 -12.916 18.448 13.795 1.00 0.00 C ATOM 615 O ALA A 47 -13.907 18.066 14.416 1.00 0.00 O ATOM 616 CB ALA A 47 -10.762 18.903 15.067 1.00 0.00 C ATOM 0 H ALA A 47 -9.828 18.116 12.944 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.650 17.001 14.714 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.334 19.074 15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.791 18.478 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.618 19.850 14.546 1.00 0.00 H new ATOM 622 N ALA A 48 -12.948 19.309 12.788 1.00 0.00 N ATOM 623 CA ALA A 48 -14.203 19.881 12.332 1.00 0.00 C ATOM 624 C ALA A 48 -15.111 18.762 11.816 1.00 0.00 C ATOM 625 O ALA A 48 -16.213 18.567 12.327 1.00 0.00 O ATOM 626 CB ALA A 48 -13.923 20.942 11.266 1.00 0.00 C ATOM 0 H ALA A 48 -12.124 19.624 12.275 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.721 20.374 13.155 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.865 21.371 10.924 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.299 21.728 11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.406 20.483 10.423 1.00 0.00 H new ATOM 632 N LYS A 49 -14.614 18.057 10.810 1.00 0.00 N ATOM 633 CA LYS A 49 -15.367 16.964 10.220 1.00 0.00 C ATOM 634 C LYS A 49 -16.838 17.367 10.102 1.00 0.00 C ATOM 635 O LYS A 49 -17.729 16.570 10.391 1.00 0.00 O ATOM 636 CB LYS A 49 -15.145 15.672 11.010 1.00 0.00 C ATOM 637 CG LYS A 49 -15.255 15.925 12.515 1.00 0.00 C ATOM 638 CD LYS A 49 -15.113 14.621 13.302 1.00 0.00 C ATOM 639 CE LYS A 49 -14.180 14.803 14.501 1.00 0.00 C ATOM 640 NZ LYS A 49 -14.072 13.543 15.270 1.00 0.00 N ATOM 0 H LYS A 49 -13.700 18.222 10.389 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.011 16.759 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.880 14.926 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.162 15.263 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.482 16.628 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.216 16.387 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.093 14.291 13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.724 13.839 12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.193 15.112 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.557 15.598 15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.435 13.684 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.013 13.264 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.692 12.794 14.657 1.00 0.00 H new ATOM 823 N ALA A 64 -10.895 10.972 -5.222 1.00 0.00 N ATOM 824 CA ALA A 64 -11.156 11.960 -6.254 1.00 0.00 C ATOM 825 C ALA A 64 -10.243 13.169 -6.041 1.00 0.00 C ATOM 826 O ALA A 64 -10.613 14.117 -5.351 1.00 0.00 O ATOM 827 CB ALA A 64 -12.639 12.339 -6.235 1.00 0.00 C ATOM 0 HA ALA A 64 -10.936 11.551 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.835 13.081 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.244 11.451 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.896 12.755 -5.261 1.00 0.00 H new ATOM 833 N GLY A 65 -9.066 13.095 -6.646 1.00 0.00 N ATOM 834 CA GLY A 65 -8.097 14.171 -6.531 1.00 0.00 C ATOM 835 C GLY A 65 -6.675 13.656 -6.765 1.00 0.00 C ATOM 836 O GLY A 65 -6.487 12.526 -7.212 1.00 0.00 O ATOM 0 H GLY A 65 -8.762 12.306 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.328 14.952 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.166 14.623 -5.541 1.00 0.00 H new ATOM 840 N SER A 66 -5.712 14.510 -6.452 1.00 0.00 N ATOM 841 CA SER A 66 -4.313 14.155 -6.623 1.00 0.00 C ATOM 842 C SER A 66 -4.022 12.825 -5.925 1.00 0.00 C ATOM 843 O SER A 66 -3.209 12.035 -6.402 1.00 0.00 O ATOM 844 CB SER A 66 -3.396 15.252 -6.078 1.00 0.00 C ATOM 845 OG SER A 66 -3.258 16.336 -6.993 1.00 0.00 O ATOM 0 H SER A 66 -5.872 15.447 -6.081 1.00 0.00 H new ATOM 0 HA SER A 66 -4.115 14.050 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.796 15.623 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.414 14.831 -5.864 1.00 0.00 H new ATOM 0 HG SER A 66 -2.667 17.016 -6.608 1.00 0.00 H new ATOM 851 N LEU A 67 -4.702 12.619 -4.806 1.00 0.00 N ATOM 852 CA LEU A 67 -4.526 11.398 -4.038 1.00 0.00 C ATOM 853 C LEU A 67 -4.721 10.190 -4.957 1.00 0.00 C ATOM 854 O LEU A 67 -4.024 9.185 -4.823 1.00 0.00 O ATOM 855 CB LEU A 67 -5.447 11.397 -2.816 1.00 0.00 C ATOM 856 CG LEU A 67 -4.833 11.910 -1.513 1.00 0.00 C ATOM 857 CD1 LEU A 67 -3.746 10.960 -1.007 1.00 0.00 C ATOM 858 CD2 LEU A 67 -4.313 13.340 -1.677 1.00 0.00 C ATOM 0 H LEU A 67 -5.375 13.277 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.512 11.338 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.323 12.004 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.799 10.379 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.616 11.937 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.326 11.349 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.178 9.976 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.958 10.877 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.882 13.680 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.550 13.363 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.137 13.997 -1.957 1.00 0.00 H new ATOM 870 N VAL A 68 -5.671 10.328 -5.869 1.00 0.00 N ATOM 871 CA VAL A 68 -5.966 9.261 -6.810 1.00 0.00 C ATOM 872 C VAL A 68 -4.674 8.829 -7.506 1.00 0.00 C ATOM 873 O VAL A 68 -4.436 7.637 -7.696 1.00 0.00 O ATOM 874 CB VAL A 68 -7.052 9.711 -7.789 1.00 0.00 C ATOM 875 CG1 VAL A 68 -6.436 10.368 -9.026 1.00 0.00 C ATOM 876 CG2 VAL A 68 -7.955 8.541 -8.182 1.00 0.00 C ATOM 0 H VAL A 68 -6.247 11.163 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.360 8.389 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.669 10.456 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.229 10.679 -9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.855 11.239 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.784 9.655 -9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.718 8.888 -8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.357 7.763 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.434 8.136 -7.291 1.00 0.00 H new ATOM 886 N ALA A 69 -3.875 9.822 -7.868 1.00 0.00 N ATOM 887 CA ALA A 69 -2.613 9.559 -8.540 1.00 0.00 C ATOM 888 C ALA A 69 -1.648 8.889 -7.560 1.00 0.00 C ATOM 889 O ALA A 69 -0.803 8.091 -7.963 1.00 0.00 O ATOM 890 CB ALA A 69 -2.055 10.866 -9.106 1.00 0.00 C ATOM 0 H ALA A 69 -4.076 10.809 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.759 8.876 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.109 10.670 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.765 11.287 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.893 11.575 -8.294 1.00 0.00 H new ATOM 896 N ILE A 70 -1.807 9.238 -6.291 1.00 0.00 N ATOM 897 CA ILE A 70 -0.960 8.680 -5.251 1.00 0.00 C ATOM 898 C ILE A 70 -1.254 7.185 -5.106 1.00 0.00 C ATOM 899 O ILE A 70 -0.354 6.357 -5.231 1.00 0.00 O ATOM 900 CB ILE A 70 -1.122 9.467 -3.949 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.873 10.960 -4.176 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.225 8.897 -2.848 1.00 0.00 C ATOM 903 CD1 ILE A 70 0.618 11.289 -4.074 1.00 0.00 C ATOM 0 H ILE A 70 -2.509 9.900 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 70 0.091 8.773 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.153 9.360 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.247 11.249 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.428 11.541 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.360 9.475 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.493 7.857 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.817 8.953 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.767 12.356 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.983 11.021 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.167 10.725 -4.828 1.00 0.00 H new ATOM 915 N LEU A 71 -2.519 6.886 -4.845 1.00 0.00 N ATOM 916 CA LEU A 71 -2.943 5.506 -4.683 1.00 0.00 C ATOM 917 C LEU A 71 -2.630 4.727 -5.961 1.00 0.00 C ATOM 918 O LEU A 71 -2.322 3.537 -5.908 1.00 0.00 O ATOM 919 CB LEU A 71 -4.415 5.443 -4.269 1.00 0.00 C ATOM 920 CG LEU A 71 -4.692 5.505 -2.766 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.112 4.283 -2.050 1.00 0.00 C ATOM 922 CD2 LEU A 71 -4.180 6.817 -2.167 1.00 0.00 C ATOM 0 H LEU A 71 -3.263 7.576 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.388 5.029 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.943 6.267 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.842 4.519 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.772 5.483 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.323 4.352 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.566 3.377 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.034 4.248 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.390 6.835 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.105 6.895 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.680 7.657 -2.649 1.00 0.00 H new ATOM 934 N GLN A 72 -2.719 5.429 -7.081 1.00 0.00 N ATOM 935 CA GLN A 72 -2.449 4.818 -8.371 1.00 0.00 C ATOM 936 C GLN A 72 -1.015 4.286 -8.417 1.00 0.00 C ATOM 937 O GLN A 72 -0.796 3.100 -8.661 1.00 0.00 O ATOM 938 CB GLN A 72 -2.703 5.807 -9.511 1.00 0.00 C ATOM 939 CG GLN A 72 -3.972 5.440 -10.282 1.00 0.00 C ATOM 940 CD GLN A 72 -4.090 6.263 -11.567 1.00 0.00 C ATOM 941 OE1 GLN A 72 -3.264 6.187 -12.461 1.00 0.00 O ATOM 942 NE2 GLN A 72 -5.161 7.051 -11.608 1.00 0.00 N ATOM 0 H GLN A 72 -2.974 6.416 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.132 3.979 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.797 6.816 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.850 5.813 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.959 4.378 -10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.846 5.612 -9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.813 7.066 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.330 7.640 -12.423 1.00 0.00 H new ATOM 951 N SER A 73 -0.075 5.189 -8.178 1.00 0.00 N ATOM 952 CA SER A 73 1.332 4.825 -8.189 1.00 0.00 C ATOM 953 C SER A 73 1.667 3.993 -6.949 1.00 0.00 C ATOM 954 O SER A 73 1.923 2.795 -7.052 1.00 0.00 O ATOM 955 CB SER A 73 2.222 6.068 -8.251 1.00 0.00 C ATOM 956 OG SER A 73 2.131 6.728 -9.511 1.00 0.00 O ATOM 0 H SER A 73 -0.260 6.171 -7.976 1.00 0.00 H new ATOM 0 HA SER A 73 1.524 4.229 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.935 6.759 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.257 5.782 -8.066 1.00 0.00 H new ATOM 0 HG SER A 73 2.712 7.517 -9.510 1.00 0.00 H new ATOM 962 N VAL A 74 1.655 4.663 -5.806 1.00 0.00 N ATOM 963 CA VAL A 74 1.954 4.000 -4.548 1.00 0.00 C ATOM 964 C VAL A 74 1.306 2.614 -4.539 1.00 0.00 C ATOM 965 O VAL A 74 1.897 1.652 -4.052 1.00 0.00 O ATOM 966 CB VAL A 74 1.507 4.876 -3.376 1.00 0.00 C ATOM 967 CG1 VAL A 74 1.515 4.086 -2.066 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.377 6.130 -3.266 1.00 0.00 C ATOM 0 H VAL A 74 1.443 5.657 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 74 3.029 3.857 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 74 0.482 5.195 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.193 4.732 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.834 3.239 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.523 3.723 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.038 6.735 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.416 5.840 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.298 6.710 -4.186 1.00 0.00 H new ATOM 978 N GLY A 75 0.101 2.556 -5.085 1.00 0.00 N ATOM 979 CA GLY A 75 -0.634 1.304 -5.147 1.00 0.00 C ATOM 980 C GLY A 75 0.095 0.284 -6.024 1.00 0.00 C ATOM 981 O GLY A 75 0.504 -0.773 -5.544 1.00 0.00 O ATOM 0 H GLY A 75 -0.386 3.356 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.759 0.901 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.633 1.484 -5.545 1.00 0.00 H new ATOM 985 N ALA A 76 0.235 0.635 -7.293 1.00 0.00 N ATOM 986 CA ALA A 76 0.907 -0.236 -8.242 1.00 0.00 C ATOM 987 C ALA A 76 2.339 -0.492 -7.766 1.00 0.00 C ATOM 988 O ALA A 76 2.667 -1.599 -7.343 1.00 0.00 O ATOM 989 CB ALA A 76 0.859 0.392 -9.636 1.00 0.00 C ATOM 0 H ALA A 76 -0.106 1.512 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 76 0.402 -1.200 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.363 -0.262 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.179 0.526 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.359 1.360 -9.616 1.00 0.00 H new ATOM 995 N ALA A 77 3.152 0.550 -7.853 1.00 0.00 N ATOM 996 CA ALA A 77 4.541 0.452 -7.437 1.00 0.00 C ATOM 997 C ALA A 77 4.620 -0.313 -6.114 1.00 0.00 C ATOM 998 O ALA A 77 5.308 -1.328 -6.020 1.00 0.00 O ATOM 999 CB ALA A 77 5.144 1.854 -7.337 1.00 0.00 C ATOM 0 H ALA A 77 2.876 1.466 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 77 5.124 -0.102 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.186 1.781 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.090 2.343 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.586 2.439 -6.605 1.00 0.00 H new ATOM 1005 N GLY A 78 3.906 0.204 -5.125 1.00 0.00 N ATOM 1006 CA GLY A 78 3.886 -0.417 -3.812 1.00 0.00 C ATOM 1007 C GLY A 78 3.799 -1.941 -3.927 1.00 0.00 C ATOM 1008 O GLY A 78 4.764 -2.645 -3.636 1.00 0.00 O ATOM 0 H GLY A 78 3.337 1.046 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.785 -0.141 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.036 -0.043 -3.242 1.00 0.00 H new ATOM 1012 N LEU A 79 2.632 -2.403 -4.353 1.00 0.00 N ATOM 1013 CA LEU A 79 2.406 -3.830 -4.510 1.00 0.00 C ATOM 1014 C LEU A 79 3.545 -4.435 -5.333 1.00 0.00 C ATOM 1015 O LEU A 79 3.928 -5.584 -5.119 1.00 0.00 O ATOM 1016 CB LEU A 79 1.017 -4.091 -5.097 1.00 0.00 C ATOM 1017 CG LEU A 79 0.143 -5.088 -4.335 1.00 0.00 C ATOM 1018 CD1 LEU A 79 0.832 -6.450 -4.226 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -0.252 -4.535 -2.964 1.00 0.00 C ATOM 0 H LEU A 79 1.834 -1.815 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 79 2.415 -4.326 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.485 -3.142 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.138 -4.451 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.777 -5.237 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.189 -7.140 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.021 -6.843 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.778 -6.338 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.873 -5.264 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.646 -4.339 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.811 -3.608 -3.093 1.00 0.00 H new ATOM 1031 N SER A 80 4.055 -3.634 -6.257 1.00 0.00 N ATOM 1032 CA SER A 80 5.142 -4.076 -7.113 1.00 0.00 C ATOM 1033 C SER A 80 6.378 -4.394 -6.268 1.00 0.00 C ATOM 1034 O SER A 80 6.646 -5.556 -5.966 1.00 0.00 O ATOM 1035 CB SER A 80 5.478 -3.020 -8.167 1.00 0.00 C ATOM 1036 OG SER A 80 5.280 -3.506 -9.492 1.00 0.00 O ATOM 0 H SER A 80 3.735 -2.681 -6.431 1.00 0.00 H new ATOM 0 HA SER A 80 4.822 -4.979 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.857 -2.138 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.515 -2.705 -8.047 1.00 0.00 H new ATOM 0 HG SER A 80 5.504 -2.802 -10.136 1.00 0.00 H new ATOM 1042 N VAL A 81 7.097 -3.340 -5.910 1.00 0.00 N ATOM 1043 CA VAL A 81 8.297 -3.492 -5.105 1.00 0.00 C ATOM 1044 C VAL A 81 8.010 -4.445 -3.943 1.00 0.00 C ATOM 1045 O VAL A 81 8.913 -5.119 -3.451 1.00 0.00 O ATOM 1046 CB VAL A 81 8.796 -2.121 -4.645 1.00 0.00 C ATOM 1047 CG1 VAL A 81 7.877 -1.535 -3.571 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.240 -2.201 -4.147 1.00 0.00 C ATOM 0 H VAL A 81 6.872 -2.378 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 81 9.100 -3.933 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 81 8.776 -1.452 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.254 -0.560 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.871 -1.423 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.850 -2.204 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.570 -1.213 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.297 -2.893 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.884 -2.554 -4.953 1.00 0.00 H new ATOM 1058 N THR A 82 6.749 -4.470 -3.538 1.00 0.00 N ATOM 1059 CA THR A 82 6.331 -5.328 -2.443 1.00 0.00 C ATOM 1060 C THR A 82 6.567 -6.798 -2.798 1.00 0.00 C ATOM 1061 O THR A 82 7.583 -7.377 -2.417 1.00 0.00 O ATOM 1062 CB THR A 82 4.870 -5.008 -2.121 1.00 0.00 C ATOM 1063 OG1 THR A 82 4.928 -3.739 -1.475 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.286 -5.941 -1.059 1.00 0.00 C ATOM 0 H THR A 82 6.003 -3.909 -3.949 1.00 0.00 H new ATOM 0 HA THR A 82 6.924 -5.142 -1.547 1.00 0.00 H new ATOM 0 HB THR A 82 4.274 -5.077 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.090 -3.039 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.248 -5.670 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.333 -6.971 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.860 -5.848 -0.137 1.00 0.00 H new ATOM 1072 N SER A 83 5.611 -7.359 -3.524 1.00 0.00 N ATOM 1073 CA SER A 83 5.701 -8.750 -3.935 1.00 0.00 C ATOM 1074 C SER A 83 7.110 -9.053 -4.449 1.00 0.00 C ATOM 1075 O SER A 83 7.745 -10.008 -4.005 1.00 0.00 O ATOM 1076 CB SER A 83 4.662 -9.075 -5.009 1.00 0.00 C ATOM 1077 OG SER A 83 3.332 -9.006 -4.504 1.00 0.00 O ATOM 0 H SER A 83 4.770 -6.875 -3.838 1.00 0.00 H new ATOM 0 HA SER A 83 5.495 -9.377 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.770 -8.379 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.849 -10.074 -5.403 1.00 0.00 H new ATOM 0 HG SER A 83 2.698 -9.218 -5.221 1.00 0.00 H new ATOM 1083 N LYS A 84 7.558 -8.221 -5.378 1.00 0.00 N ATOM 1084 CA LYS A 84 8.880 -8.388 -5.958 1.00 0.00 C ATOM 1085 C LYS A 84 9.897 -8.616 -4.839 1.00 0.00 C ATOM 1086 O LYS A 84 10.555 -9.655 -4.795 1.00 0.00 O ATOM 1087 CB LYS A 84 9.220 -7.205 -6.867 1.00 0.00 C ATOM 1088 CG LYS A 84 8.865 -7.512 -8.323 1.00 0.00 C ATOM 1089 CD LYS A 84 9.876 -6.877 -9.279 1.00 0.00 C ATOM 1090 CE LYS A 84 9.877 -7.594 -10.631 1.00 0.00 C ATOM 1091 NZ LYS A 84 10.396 -6.701 -11.691 1.00 0.00 N ATOM 0 H LYS A 84 7.029 -7.429 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 84 8.907 -9.270 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.677 -6.320 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.283 -6.975 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.843 -8.591 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.865 -7.138 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.635 -5.824 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.873 -6.919 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.491 -8.493 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.865 -7.914 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.390 -7.203 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.794 -5.855 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.369 -6.416 -11.459 1.00 0.00 H new ATOM 1105 N VAL A 85 9.995 -7.629 -3.960 1.00 0.00 N ATOM 1106 CA VAL A 85 10.921 -7.709 -2.844 1.00 0.00 C ATOM 1107 C VAL A 85 10.767 -9.067 -2.156 1.00 0.00 C ATOM 1108 O VAL A 85 11.749 -9.648 -1.696 1.00 0.00 O ATOM 1109 CB VAL A 85 10.701 -6.529 -1.895 1.00 0.00 C ATOM 1110 CG1 VAL A 85 11.259 -6.833 -0.504 1.00 0.00 C ATOM 1111 CG2 VAL A 85 11.312 -5.247 -2.464 1.00 0.00 C ATOM 0 H VAL A 85 9.448 -6.769 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 85 11.950 -7.637 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 85 9.627 -6.373 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.090 -5.978 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.757 -7.709 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.329 -7.029 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.142 -4.424 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.384 -5.386 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.846 -5.016 -3.422 1.00 0.00 H new ATOM 1121 N ILE A 86 9.528 -9.532 -2.106 1.00 0.00 N ATOM 1122 CA ILE A 86 9.233 -10.810 -1.482 1.00 0.00 C ATOM 1123 C ILE A 86 9.717 -11.941 -2.392 1.00 0.00 C ATOM 1124 O ILE A 86 10.668 -12.646 -2.059 1.00 0.00 O ATOM 1125 CB ILE A 86 7.748 -10.902 -1.123 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.337 -9.756 -0.196 1.00 0.00 C ATOM 1127 CG2 ILE A 86 7.411 -12.270 -0.528 1.00 0.00 C ATOM 1128 CD1 ILE A 86 5.815 -9.689 -0.050 1.00 0.00 C ATOM 0 H ILE A 86 8.716 -9.046 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 86 9.771 -10.906 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 86 7.168 -10.799 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.794 -9.894 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.710 -8.811 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.350 -12.308 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.644 -13.050 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.999 -12.428 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.549 -8.866 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.362 -9.527 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.448 -10.626 0.369 1.00 0.00 H new ATOM 1140 N GLY A 87 9.039 -12.080 -3.521 1.00 0.00 N ATOM 1141 CA GLY A 87 9.387 -13.113 -4.482 1.00 0.00 C ATOM 1142 C GLY A 87 8.257 -13.329 -5.489 1.00 0.00 C ATOM 1143 O GLY A 87 7.085 -13.356 -5.116 1.00 0.00 O ATOM 0 H GLY A 87 8.249 -11.494 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.299 -12.832 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.596 -14.046 -3.959 1.00 0.00 H new ATOM 1147 N GLY A 88 8.648 -13.478 -6.747 1.00 0.00 N ATOM 1148 CA GLY A 88 7.681 -13.691 -7.811 1.00 0.00 C ATOM 1149 C GLY A 88 6.539 -14.593 -7.341 1.00 0.00 C ATOM 1150 O GLY A 88 6.770 -15.591 -6.661 1.00 0.00 O ATOM 0 H GLY A 88 9.621 -13.455 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.280 -12.732 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.175 -14.142 -8.671 1.00 0.00 H new ATOM 1154 N PHE A 89 5.329 -14.209 -7.723 1.00 0.00 N ATOM 1155 CA PHE A 89 4.150 -14.971 -7.350 1.00 0.00 C ATOM 1156 C PHE A 89 4.435 -16.474 -7.381 1.00 0.00 C ATOM 1157 O PHE A 89 4.374 -17.099 -8.439 1.00 0.00 O ATOM 1158 CB PHE A 89 3.064 -14.648 -8.378 1.00 0.00 C ATOM 1159 CG PHE A 89 2.254 -13.391 -8.055 1.00 0.00 C ATOM 1160 CD1 PHE A 89 1.392 -13.390 -7.003 1.00 0.00 C ATOM 1161 CD2 PHE A 89 2.397 -12.275 -8.819 1.00 0.00 C ATOM 1162 CE1 PHE A 89 0.640 -12.223 -6.703 1.00 0.00 C ATOM 1163 CE2 PHE A 89 1.646 -11.108 -8.518 1.00 0.00 C ATOM 1164 CZ PHE A 89 0.783 -11.107 -7.467 1.00 0.00 C ATOM 0 H PHE A 89 5.140 -13.380 -8.287 1.00 0.00 H new ATOM 0 HA PHE A 89 3.843 -14.708 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.529 -14.526 -9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.384 -15.497 -8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.279 -14.276 -6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.082 -12.276 -9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.045 -12.222 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.760 -10.221 -9.124 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.211 -10.220 -7.239 1.00 0.00 H new ATOM 1174 N ALA A 90 4.741 -17.011 -6.209 1.00 0.00 N ATOM 1175 CA ALA A 90 5.036 -18.428 -6.090 1.00 0.00 C ATOM 1176 C ALA A 90 5.028 -18.823 -4.612 1.00 0.00 C ATOM 1177 O ALA A 90 5.999 -19.390 -4.112 1.00 0.00 O ATOM 1178 CB ALA A 90 6.374 -18.731 -6.767 1.00 0.00 C ATOM 0 H ALA A 90 4.791 -16.490 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 90 4.274 -19.022 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.595 -19.795 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.318 -18.460 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.164 -18.155 -6.286 1.00 0.00 H new ATOM 1184 N GLY A 91 3.923 -18.509 -3.953 1.00 0.00 N ATOM 1185 CA GLY A 91 3.776 -18.824 -2.542 1.00 0.00 C ATOM 1186 C GLY A 91 4.565 -17.840 -1.676 1.00 0.00 C ATOM 1187 O GLY A 91 3.979 -17.037 -0.951 1.00 0.00 O ATOM 0 H GLY A 91 3.120 -18.039 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.722 -18.792 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.124 -19.840 -2.354 1.00 0.00 H new ATOM 1191 N THR A 92 5.883 -17.934 -1.780 1.00 0.00 N ATOM 1192 CA THR A 92 6.758 -17.062 -1.015 1.00 0.00 C ATOM 1193 C THR A 92 6.177 -16.811 0.378 1.00 0.00 C ATOM 1194 O THR A 92 5.414 -15.867 0.575 1.00 0.00 O ATOM 1195 CB THR A 92 6.973 -15.781 -1.824 1.00 0.00 C ATOM 1196 OG1 THR A 92 5.679 -15.187 -1.884 1.00 0.00 O ATOM 1197 CG2 THR A 92 7.322 -16.063 -3.286 1.00 0.00 C ATOM 0 H THR A 92 6.366 -18.601 -2.382 1.00 0.00 H new ATOM 0 HA THR A 92 7.730 -17.525 -0.848 1.00 0.00 H new ATOM 0 HB THR A 92 7.770 -15.194 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.109 -15.573 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.464 -15.120 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.240 -16.648 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.511 -16.622 -3.752 1.00 0.00 H new